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 3k70_1_B DATA FIRST_RESID 3 DATA SEQUENCE DVAETLDPLR LPLQGERLIE ASAGTGKTFT IAALYLRLLL GLGGSAAFPR DATA SEQUENCE PLTVEELLVV TFTEAATAEL RGRIRSNIHE LRIACLRETT DNPLYERLLE DATA SEQUENCE EIDDKAQAAQ WLLLAERQMD EAAVFTIHGF CQRMLNLNAF ESGMLFEQQL DATA SEQUENCE IEDESLLRYQ ACADFWRRHC YPLPREIAQV VFETWKGPQA LLRDINRYLQ DATA SEQUENCE GEAPVIKAPP PDDETLASRH AQIVARIDTV KQQWRDAVGE LDALXESSGI DATA SEQUENCE DRRKFNRSNQ AKWIDKISAW AEEETNSYQL PESLEKXXXX XXXXXXXXXX DATA SEQUENCE XXPRHPLFEA IDQLLAEPLS IRDLVITRAL AEIRETVARE KRRRGELGFD DATA SEQUENCE DMLSRLDSAL RSESGEVLAA AIRTRFPVAM IDEFQDTDPQ QYRIFRRIWH DATA SEQUENCE HQPETALLLI GDPKQAIYAF RGADIFTYMK ARSEVHAHYT LDTNWRSAPG DATA SEQUENCE MVNSVNKLFS QTDDAFMFRE IPFIPVKSAG KNQALRFVFK GETQPAMKMW DATA SEQUENCE LMEGESCGVG DYQSTMAQVC AAQIRDWLQA GQRGEALLMN GDDARPVRAS DATA SEQUENCE DISVLVRSRQ EAAQVRDALT LLEIPSVYLS NRDSVFETLE AQEMLWLLQA DATA SEQUENCE VMTPERENTL RSALATSMMG LNALDIETLN NDEHAWDVVV EEFDGYRQIW DATA SEQUENCE RKRGVMPMLR ALMSARNIAE NLLATAGGER RLTDILHISE LLQEAGTQLE DATA SEQUENCE SEHALVRWLS QHILEPDSNA SSQQMRLESD KHLVQIVTIH KSKGLEYPLV DATA SEQUENCE WLPFITNFRV QEQAFYHDRH SFEAVLDLNA APESVDLAEA ERLAEDLRLL DATA SEQUENCE YVALTRSVWH CSLGVAPLVR RRGDKKGDTD VHQSALGRLL QKGEPQDAAG DATA SEQUENCE LRTCIEALCD DDIAWQTAQT GDNQPWQVND VSTAELNAKT LQRLPGDNWR DATA SEQUENCE VTSYSGLQQR GHGIAQDLMP RLDVDAAGVA SVVEEPTLTP HQFPRGASPG DATA SEQUENCE TFLHSLFEDL DFTQPVDPNW VREKLELGGF ESQWEPVLTE WITAVLQAPL DATA SEQUENCE NETGVSLSQL SARNKQVEME FYLPISEPLI ASQLDTLIRQ FDPLSAGCPP DATA SEQUENCE LEFMQVRGML KGFIDLVFRH EGRYYLLDYK SNWLGEDSSA YTQQAMAAAM DATA SEQUENCE QAHRYDLQYQ LYTLALHRYL RHRIADYDYE HHFGGVIYLF LRGVDKEHPQ DATA SEQUENCE QGIYTTRPNA GLIALMDEMF AG 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.289 176.300 -0.018 0.000 2.045 3 D CA 0.000 53.974 54.000 -0.042 0.000 0.868 3 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 4 V N -0.166 119.767 119.914 0.031 0.000 3.677 4 V HA 0.010 4.126 4.120 -0.006 0.000 0.479 4 V C 0.572 176.673 176.094 0.012 0.000 0.682 4 V CA 0.347 62.662 62.300 0.025 0.000 1.977 4 V CB -1.351 30.475 31.823 0.004 0.000 2.402 4 V HN 1.038 nan 8.190 nan 0.000 0.501 5 A N 4.381 127.225 122.820 0.039 0.000 2.507 5 A HA 0.403 4.720 4.320 -0.006 0.000 0.235 5 A C 0.604 178.202 177.584 0.024 0.000 1.070 5 A CA 0.628 52.676 52.037 0.019 0.000 0.768 5 A CB 0.351 19.384 19.000 0.054 0.000 1.011 5 A HN 1.113 nan 8.150 nan 0.000 0.502 6 E N 1.001 121.222 120.200 0.035 0.000 2.316 6 E HA 0.167 4.513 4.350 -0.006 0.000 0.275 6 E C -0.549 176.162 176.600 0.185 0.000 1.029 6 E CA -0.277 56.197 56.400 0.123 0.000 0.871 6 E CB 0.386 30.211 29.700 0.208 0.000 1.022 6 E HN 0.570 nan 8.360 nan 0.000 0.418 7 T N 6.012 120.629 114.554 0.106 0.000 2.736 7 T HA -0.032 4.314 4.350 -0.006 0.000 0.275 7 T C 0.298 175.058 174.700 0.101 0.000 0.962 7 T CA -0.208 61.940 62.100 0.079 0.000 1.214 7 T CB -0.066 68.821 68.868 0.031 0.000 0.904 7 T HN 0.380 nan 8.240 nan 0.000 0.529 8 L N 4.552 125.843 121.223 0.114 0.000 2.584 8 L HA 0.073 4.409 4.340 -0.006 0.000 0.272 8 L C 0.233 177.098 176.870 -0.009 0.000 1.195 8 L CA 0.880 55.738 54.840 0.031 0.000 0.920 8 L CB 0.163 42.234 42.059 0.020 0.000 1.173 8 L HN 0.614 nan 8.230 nan 0.000 0.489 9 D N 7.546 127.913 120.400 -0.056 0.000 2.462 9 D HA 0.273 4.909 4.640 -0.006 0.000 0.249 9 D C -1.782 174.471 176.300 -0.077 0.000 1.117 9 D CA -1.796 52.182 54.000 -0.036 0.000 0.900 9 D CB 1.630 42.419 40.800 -0.019 0.000 1.039 9 D HN 0.298 nan 8.370 nan 0.000 0.516 10 P HA -0.223 nan 4.420 nan 0.000 0.221 10 P C 1.663 178.916 177.300 -0.079 0.000 1.160 10 P CA 1.247 64.299 63.100 -0.081 0.000 0.933 10 P CB 0.246 31.917 31.700 -0.048 0.000 0.793 11 L N -2.461 118.730 121.223 -0.055 0.000 2.353 11 L HA -0.127 4.209 4.340 -0.006 0.000 0.220 11 L C 2.214 179.060 176.870 -0.041 0.000 1.133 11 L CA 1.086 55.900 54.840 -0.044 0.000 0.798 11 L CB -0.380 41.659 42.059 -0.032 0.000 0.922 11 L HN -0.102 nan 8.230 nan 0.000 0.445 12 R N -0.001 120.468 120.500 -0.052 0.000 2.509 12 R HA 0.185 4.521 4.340 -0.006 0.000 0.300 12 R C -0.194 176.064 176.300 -0.071 0.000 0.985 12 R CA -0.424 55.650 56.100 -0.043 0.000 1.092 12 R CB -0.167 30.118 30.300 -0.024 0.000 1.237 12 R HN 0.048 nan 8.270 nan 0.000 0.546 13 L N 2.957 124.105 121.223 -0.125 0.000 2.410 13 L HA 0.387 4.723 4.340 -0.006 0.000 0.273 13 L C -2.211 174.603 176.870 -0.093 0.000 1.144 13 L CA -1.816 52.904 54.840 -0.200 0.000 0.863 13 L CB 0.526 42.408 42.059 -0.294 0.000 1.140 13 L HN 0.073 nan 8.230 nan 0.000 0.463 14 P HA 0.018 nan 4.420 nan 0.000 0.269 14 P C -0.374 176.945 177.300 0.033 0.000 1.263 14 P CA 0.056 63.170 63.100 0.023 0.000 0.813 14 P CB 0.220 31.960 31.700 0.067 0.000 0.868 15 L N 4.021 125.272 121.223 0.047 0.000 2.511 15 L HA 0.097 4.433 4.340 -0.006 0.000 0.239 15 L C 0.847 177.823 176.870 0.177 0.000 1.400 15 L CA 0.361 55.244 54.840 0.072 0.000 1.226 15 L CB -0.926 41.178 42.059 0.075 0.000 1.475 15 L HN 0.443 nan 8.230 nan 0.000 0.428 16 Q N 0.509 120.387 119.800 0.131 0.000 2.309 16 Q HA 0.548 4.884 4.340 -0.006 0.000 0.254 16 Q C -0.186 175.882 176.000 0.115 0.000 0.938 16 Q CA -0.175 55.724 55.803 0.160 0.000 0.789 16 Q CB 1.735 30.546 28.738 0.122 0.000 1.313 16 Q HN 0.317 nan 8.270 nan 0.000 0.438 17 G N 3.391 112.260 108.800 0.114 0.000 3.626 17 G HA2 -0.069 3.887 3.960 -0.006 0.000 0.556 17 G HA3 -0.069 3.887 3.960 -0.006 0.000 0.556 17 G C -0.192 174.742 174.900 0.055 0.000 1.206 17 G CA 0.251 45.405 45.100 0.090 0.000 1.267 17 G HN 1.758 nan 8.290 nan 0.000 0.577 18 E N 1.408 121.624 120.200 0.026 0.000 1.121 18 E HA -0.261 4.085 4.350 -0.006 0.000 0.340 18 E C -0.586 176.020 176.600 0.009 0.000 1.411 18 E CA 1.300 57.694 56.400 -0.009 0.000 1.268 18 E CB -0.416 29.276 29.700 -0.012 0.000 0.516 18 E HN 0.799 nan 8.360 nan 0.000 0.350 19 R N 2.930 123.421 120.500 -0.015 0.000 2.533 19 R HA 0.504 4.840 4.340 -0.006 0.000 0.288 19 R C -0.585 175.718 176.300 0.005 0.000 1.039 19 R CA -1.164 54.986 56.100 0.083 0.000 0.909 19 R CB 1.137 31.535 30.300 0.163 0.000 1.195 19 R HN 0.514 nan 8.270 nan 0.000 0.438 20 L N 4.146 125.388 121.223 0.031 0.000 2.280 20 L HA 0.561 4.898 4.340 -0.006 0.000 0.287 20 L C -0.770 176.134 176.870 0.055 0.000 1.023 20 L CA -0.260 54.546 54.840 -0.057 0.000 0.819 20 L CB 0.874 42.827 42.059 -0.177 0.000 1.212 20 L HN 0.575 nan 8.230 nan 0.000 0.420 21 I N 4.709 125.310 120.570 0.051 0.000 2.362 21 I HA 0.327 4.493 4.170 -0.006 0.000 0.289 21 I C -0.079 176.077 176.117 0.064 0.000 0.994 21 I CA -0.490 60.871 61.300 0.101 0.000 1.158 21 I CB 1.646 39.689 38.000 0.071 0.000 1.315 21 I HN 0.598 nan 8.210 nan 0.000 0.451 22 E N 6.368 126.606 120.200 0.063 0.000 2.014 22 E HA 0.409 4.755 4.350 -0.006 0.000 0.275 22 E C -0.551 176.071 176.600 0.037 0.000 0.997 22 E CA -0.574 55.845 56.400 0.032 0.000 0.804 22 E CB 1.123 30.826 29.700 0.005 0.000 1.090 22 E HN 0.731 nan 8.360 nan 0.000 0.401 23 A N 4.350 127.193 122.820 0.038 0.000 2.798 23 A HA 0.267 4.584 4.320 -0.006 0.000 0.316 23 A C 0.434 178.053 177.584 0.060 0.000 1.506 23 A CA -0.434 51.639 52.037 0.061 0.000 1.162 23 A CB 0.167 19.208 19.000 0.069 0.000 1.138 23 A HN 0.601 nan 8.150 nan 0.000 0.532 24 S N 1.054 116.791 115.700 0.062 0.000 2.614 24 S HA 0.275 4.741 4.470 -0.006 0.000 0.251 24 S C 1.180 175.860 174.600 0.134 0.000 1.388 24 S CA 0.188 58.448 58.200 0.101 0.000 0.973 24 S CB 0.186 63.448 63.200 0.102 0.000 0.926 24 S HN 1.399 nan 8.310 nan 0.000 0.580 25 A N 0.602 123.543 122.820 0.202 0.000 2.563 25 A HA 0.413 4.730 4.320 -0.006 0.000 0.256 25 A C 1.387 179.006 177.584 0.058 0.000 1.056 25 A CA 0.304 52.391 52.037 0.083 0.000 0.775 25 A CB -1.556 17.393 19.000 -0.085 0.000 0.973 25 A HN 1.894 nan 8.150 nan 0.000 0.516 26 G N 3.036 111.879 108.800 0.071 0.000 2.393 26 G HA2 -0.221 3.735 3.960 -0.006 0.000 0.299 26 G HA3 -0.221 3.735 3.960 -0.006 0.000 0.299 26 G C 0.619 175.622 174.900 0.171 0.000 0.990 26 G CA 0.991 46.156 45.100 0.108 0.000 1.118 26 G HN 2.033 nan 8.290 nan 0.000 0.513 27 T N -2.663 112.005 114.554 0.189 0.000 3.163 27 T HA 0.467 4.813 4.350 -0.006 0.000 0.252 27 T C 1.824 176.801 174.700 0.463 0.000 1.056 27 T CA 0.747 63.000 62.100 0.256 0.000 0.947 27 T CB 0.551 69.507 68.868 0.146 0.000 1.016 27 T HN 2.127 nan 8.240 nan 0.000 0.554 28 G N 2.550 111.594 108.800 0.407 0.000 2.182 28 G HA2 -0.307 3.649 3.960 -0.006 0.000 0.248 28 G HA3 -0.307 3.649 3.960 -0.006 0.000 0.248 28 G C 0.793 175.893 174.900 0.333 0.000 1.042 28 G CA 0.334 45.701 45.100 0.445 0.000 0.775 28 G HN 0.542 nan 8.290 nan 0.000 0.501 29 K N 0.426 120.952 120.400 0.210 0.000 2.127 29 K HA -0.219 4.097 4.320 -0.006 0.000 0.208 29 K C 2.467 179.106 176.600 0.065 0.000 1.047 29 K CA 2.680 59.036 56.287 0.115 0.000 0.927 29 K CB -0.704 31.841 32.500 0.075 0.000 0.716 29 K HN 0.676 nan 8.250 nan 0.000 0.450 30 T N -0.965 113.608 114.554 0.031 0.000 2.770 30 T HA -0.081 4.266 4.350 -0.006 0.000 0.263 30 T C 1.990 176.612 174.700 -0.129 0.000 1.039 30 T CA 1.199 63.232 62.100 -0.112 0.000 1.142 30 T CB -0.688 68.027 68.868 -0.254 0.000 0.868 30 T HN 0.142 nan 8.240 nan 0.000 0.435 31 F N 2.286 122.168 119.950 -0.114 0.000 2.161 31 F HA -0.068 4.456 4.527 -0.006 0.000 0.300 31 F C 2.921 178.645 175.800 -0.127 0.000 1.089 31 F CA 1.191 59.098 58.000 -0.155 0.000 1.282 31 F CB -1.504 37.340 39.000 -0.261 0.000 1.010 31 F HN 0.135 nan 8.300 nan 0.000 0.485 32 T N 0.841 115.460 114.554 0.108 0.000 2.674 32 T HA -0.157 4.190 4.350 -0.006 0.000 0.265 32 T C 2.132 176.827 174.700 -0.008 0.000 1.039 32 T CA 1.621 63.744 62.100 0.037 0.000 1.150 32 T CB -0.528 68.367 68.868 0.046 0.000 0.864 32 T HN 0.157 nan 8.240 nan 0.000 0.427 33 I N 1.542 122.098 120.570 -0.024 0.000 2.151 33 I HA -0.255 3.911 4.170 -0.006 0.000 0.243 33 I C 2.950 179.047 176.117 -0.032 0.000 1.080 33 I CA 1.365 62.636 61.300 -0.047 0.000 1.339 33 I CB -0.618 37.333 38.000 -0.082 0.000 1.039 33 I HN 0.204 nan 8.210 nan 0.000 0.409 34 A N 0.851 123.634 122.820 -0.062 0.000 1.865 34 A HA -0.206 4.110 4.320 -0.006 0.000 0.217 34 A C 2.576 180.164 177.584 0.007 0.000 1.191 34 A CA 2.161 54.169 52.037 -0.049 0.000 0.623 34 A CB -1.068 17.873 19.000 -0.099 0.000 0.826 34 A HN 0.447 nan 8.150 nan 0.000 0.444 35 A N -0.434 122.366 122.820 -0.034 0.000 1.852 35 A HA -0.171 4.146 4.320 -0.006 0.000 0.217 35 A C 1.996 179.563 177.584 -0.028 0.000 1.215 35 A CA 2.042 54.046 52.037 -0.055 0.000 0.641 35 A CB -0.994 17.970 19.000 -0.059 0.000 0.838 35 A HN 0.483 nan 8.150 nan 0.000 0.450 36 L N -1.865 119.342 121.223 -0.027 0.000 2.137 36 L HA -0.220 4.116 4.340 -0.006 0.000 0.213 36 L C 2.337 179.193 176.870 -0.023 0.000 1.085 36 L CA 2.063 56.879 54.840 -0.040 0.000 0.760 36 L CB -1.193 40.832 42.059 -0.056 0.000 0.893 36 L HN 0.607 nan 8.230 nan 0.000 0.434 37 Y N -0.671 119.565 120.300 -0.108 0.000 2.133 37 Y HA -0.229 4.317 4.550 -0.006 0.000 0.287 37 Y C 2.350 178.202 175.900 -0.079 0.000 1.134 37 Y CA 1.567 59.603 58.100 -0.106 0.000 1.133 37 Y CB -0.181 38.217 38.460 -0.103 0.000 0.987 37 Y HN 0.075 nan 8.280 nan 0.000 0.502 38 L N -0.549 120.695 121.223 0.035 0.000 1.989 38 L HA -0.269 4.067 4.340 -0.006 0.000 0.211 38 L C 2.743 179.577 176.870 -0.060 0.000 1.071 38 L CA 1.328 56.157 54.840 -0.017 0.000 0.749 38 L CB -0.645 41.414 42.059 -0.001 0.000 0.890 38 L HN 0.109 nan 8.230 nan 0.000 0.431 39 R N 0.297 120.765 120.500 -0.053 0.000 2.136 39 R HA -0.223 4.113 4.340 -0.006 0.000 0.242 39 R C 2.276 178.546 176.300 -0.051 0.000 1.131 39 R CA 1.854 57.932 56.100 -0.038 0.000 0.937 39 R CB -1.112 29.162 30.300 -0.042 0.000 0.863 39 R HN 0.358 nan 8.270 nan 0.000 0.435 40 L N 0.668 121.817 121.223 -0.123 0.000 1.997 40 L HA -0.266 4.071 4.340 -0.006 0.000 0.216 40 L C 2.711 179.475 176.870 -0.176 0.000 1.074 40 L CA 1.434 56.164 54.840 -0.182 0.000 0.763 40 L CB -0.591 41.277 42.059 -0.317 0.000 0.890 40 L HN 0.232 nan 8.230 nan 0.000 0.434 41 L N -0.561 120.520 121.223 -0.236 0.000 1.990 41 L HA -0.260 4.076 4.340 -0.006 0.000 0.213 41 L C 2.129 178.981 176.870 -0.031 0.000 1.072 41 L CA 1.461 56.193 54.840 -0.180 0.000 0.755 41 L CB -0.284 41.676 42.059 -0.165 0.000 0.889 41 L HN 0.305 nan 8.230 nan 0.000 0.432 42 L N -0.649 120.618 121.223 0.073 0.000 2.611 42 L HA 0.178 4.514 4.340 -0.006 0.000 0.229 42 L C 1.434 178.448 176.870 0.241 0.000 1.137 42 L CA 0.322 55.320 54.840 0.264 0.000 0.901 42 L CB -0.520 41.670 42.059 0.219 0.000 1.098 42 L HN 0.462 nan 8.230 nan 0.000 0.456 43 G N 0.553 109.425 108.800 0.119 0.000 2.212 43 G HA2 -0.313 3.643 3.960 -0.006 0.000 0.267 43 G HA3 -0.313 3.643 3.960 -0.006 0.000 0.267 43 G C 0.380 175.352 174.900 0.120 0.000 1.002 43 G CA 0.227 45.407 45.100 0.134 0.000 0.729 43 G HN 0.195 nan 8.290 nan 0.000 0.517 44 L N -0.490 120.788 121.223 0.091 0.000 2.332 44 L HA 0.547 4.883 4.340 -0.006 0.000 0.219 44 L C 1.892 178.789 176.870 0.045 0.000 1.199 44 L CA 2.372 57.249 54.840 0.061 0.000 0.830 44 L CB -0.382 41.698 42.059 0.036 0.000 1.192 44 L HN 1.470 nan 8.230 nan 0.000 0.571 45 G N -1.675 107.141 108.800 0.026 0.000 2.715 45 G HA2 0.304 4.260 3.960 -0.006 0.000 0.221 45 G HA3 0.304 4.260 3.960 -0.006 0.000 0.221 45 G C 0.134 175.046 174.900 0.020 0.000 1.204 45 G CA -0.203 44.908 45.100 0.018 0.000 1.063 45 G HN 1.381 nan 8.290 nan 0.000 0.586 46 G N -1.988 106.826 108.800 0.022 0.000 3.178 46 G HA2 0.543 4.499 3.960 -0.006 0.000 0.134 46 G HA3 0.543 4.499 3.960 -0.006 0.000 0.134 46 G C 1.621 176.531 174.900 0.017 0.000 1.143 46 G CA 1.679 46.790 45.100 0.018 0.000 1.487 46 G HN 2.142 nan 8.290 nan 0.000 0.711 47 S N 0.728 116.436 115.700 0.015 0.000 2.425 47 S HA 0.421 4.887 4.470 -0.006 0.000 0.225 47 S C 1.987 176.599 174.600 0.021 0.000 1.024 47 S CA 1.534 59.743 58.200 0.014 0.000 0.951 47 S CB 0.125 63.334 63.200 0.015 0.000 0.796 47 S HN 1.425 nan 8.310 nan 0.000 0.498 48 A N 1.130 123.963 122.820 0.022 0.000 2.412 48 A HA 0.787 5.103 4.320 -0.006 0.000 0.253 48 A C 0.809 178.413 177.584 0.034 0.000 1.334 48 A CA 0.014 52.066 52.037 0.026 0.000 0.929 48 A CB -0.917 18.090 19.000 0.011 0.000 0.983 48 A HN 0.736 nan 8.150 nan 0.000 0.508 49 A N -0.732 122.115 122.820 0.044 0.000 2.263 49 A HA 0.764 5.080 4.320 -0.006 0.000 0.318 49 A C -0.655 177.001 177.584 0.120 0.000 1.111 49 A CA -0.571 51.510 52.037 0.073 0.000 0.901 49 A CB 0.450 19.485 19.000 0.058 0.000 1.280 49 A HN 0.538 nan 8.150 nan 0.000 0.503 50 F N 0.306 120.248 119.950 -0.013 0.000 2.421 50 F HA 0.533 5.056 4.527 -0.006 0.000 0.337 50 F C -1.584 174.212 175.800 -0.006 0.000 1.105 50 F CA -1.877 56.115 58.000 -0.014 0.000 1.049 50 F CB 1.392 40.374 39.000 -0.031 0.000 1.139 50 F HN 0.389 nan 8.300 nan 0.000 0.479 51 P HA -0.271 nan 4.420 nan 0.000 0.227 51 P C -0.316 176.813 177.300 -0.284 0.000 1.141 51 P CA 2.082 64.846 63.100 -0.561 0.000 0.964 51 P CB -0.073 31.128 31.700 -0.832 0.000 0.784 52 R N -2.319 118.050 120.500 -0.220 0.000 2.987 52 R HA 0.481 4.817 4.340 -0.006 0.000 0.248 52 R C -3.187 173.216 176.300 0.172 0.000 1.264 52 R CA -2.091 54.017 56.100 0.014 0.000 1.026 52 R CB -0.477 29.817 30.300 -0.010 0.000 1.286 52 R HN -0.103 nan 8.270 nan 0.000 0.483 53 P HA 0.385 nan 4.420 nan 0.000 0.288 53 P C -0.685 176.555 177.300 -0.100 0.000 1.267 53 P CA -0.513 62.537 63.100 -0.084 0.000 0.815 53 P CB 1.394 32.861 31.700 -0.388 0.000 0.989 54 L N 1.518 122.666 121.223 -0.126 0.000 2.332 54 L HA 0.529 4.865 4.340 -0.006 0.000 0.269 54 L C 0.909 177.673 176.870 -0.177 0.000 1.016 54 L CA -0.562 54.190 54.840 -0.146 0.000 0.809 54 L CB 1.544 43.477 42.059 -0.210 0.000 1.280 54 L HN 0.315 nan 8.230 nan 0.000 0.447 55 T N -0.651 113.826 114.554 -0.128 0.000 2.944 55 T HA 0.184 4.530 4.350 -0.006 0.000 0.284 55 T C 1.285 175.949 174.700 -0.060 0.000 1.010 55 T CA -0.730 61.312 62.100 -0.096 0.000 1.025 55 T CB 2.084 70.916 68.868 -0.059 0.000 1.079 55 T HN 0.278 nan 8.240 nan 0.000 0.516 56 V N 1.362 121.270 119.914 -0.011 0.000 2.370 56 V HA -0.197 3.919 4.120 -0.006 0.000 0.252 56 V C 1.799 177.962 176.094 0.116 0.000 1.068 56 V CA 1.998 64.344 62.300 0.076 0.000 1.061 56 V CB -0.894 30.996 31.823 0.111 0.000 0.656 56 V HN 0.950 nan 8.190 nan 0.000 0.455 57 E N -0.283 119.979 120.200 0.103 0.000 2.303 57 E HA 0.108 4.454 4.350 -0.006 0.000 0.211 57 E C 0.806 177.502 176.600 0.159 0.000 1.223 57 E CA 0.197 56.695 56.400 0.164 0.000 1.344 57 E CB -0.103 29.668 29.700 0.118 0.000 1.299 57 E HN 0.659 nan 8.360 nan 0.000 0.441 58 E N -0.034 120.264 120.200 0.163 0.000 2.646 58 E HA 0.152 4.498 4.350 -0.006 0.000 0.207 58 E C -0.152 176.574 176.600 0.211 0.000 0.922 58 E CA -0.126 56.365 56.400 0.152 0.000 1.482 58 E CB 0.625 30.332 29.700 0.012 0.000 1.509 58 E HN 0.217 nan 8.360 nan 0.000 0.831 59 L N 3.237 124.528 121.223 0.112 0.000 2.302 59 L HA 0.304 4.640 4.340 -0.006 0.000 0.285 59 L C -0.351 176.551 176.870 0.053 0.000 1.090 59 L CA -0.246 54.601 54.840 0.011 0.000 0.866 59 L CB 0.733 42.712 42.059 -0.133 0.000 1.244 59 L HN 0.060 nan 8.230 nan 0.000 0.435 60 L N 5.154 126.353 121.223 -0.041 0.000 2.319 60 L HA 0.442 4.779 4.340 -0.006 0.000 0.280 60 L C -0.662 175.991 176.870 -0.361 0.000 1.099 60 L CA -0.137 54.493 54.840 -0.350 0.000 0.828 60 L CB 1.448 43.142 42.059 -0.608 0.000 1.150 60 L HN 0.266 nan 8.230 nan 0.000 0.442 61 V N 5.814 125.503 119.914 -0.375 0.000 2.525 61 V HA 0.362 4.478 4.120 -0.006 0.000 0.299 61 V C -0.217 175.706 176.094 -0.284 0.000 1.034 61 V CA -0.820 61.296 62.300 -0.307 0.000 0.863 61 V CB 1.883 33.558 31.823 -0.247 0.000 0.999 61 V HN 0.560 nan 8.190 nan 0.000 0.423 62 V N 1.821 121.602 119.914 -0.222 0.000 2.448 62 V HA 0.930 5.046 4.120 -0.006 0.000 0.295 62 V C -0.009 176.078 176.094 -0.011 0.000 1.025 62 V CA -0.074 62.176 62.300 -0.084 0.000 0.859 62 V CB 1.446 33.245 31.823 -0.039 0.000 0.988 62 V HN 0.910 nan 8.190 nan 0.000 0.431 63 T N 2.202 116.774 114.554 0.030 0.000 2.938 63 T HA 0.578 4.924 4.350 -0.006 0.000 0.285 63 T C 0.243 175.036 174.700 0.154 0.000 1.028 63 T CA -0.271 61.869 62.100 0.066 0.000 1.005 63 T CB 1.921 70.797 68.868 0.013 0.000 1.157 63 T HN 0.646 nan 8.240 nan 0.000 0.550 64 F N 1.070 121.016 119.950 -0.007 0.000 2.317 64 F HA 0.269 4.792 4.527 -0.006 0.000 0.290 64 F C 1.028 176.819 175.800 -0.014 0.000 1.075 64 F CA 0.343 58.329 58.000 -0.023 0.000 1.380 64 F CB -0.593 38.370 39.000 -0.061 0.000 1.093 64 F HN 0.534 nan 8.300 nan 0.000 0.524 65 T N 0.564 114.996 114.554 -0.203 0.000 2.849 65 T HA 0.092 4.439 4.350 -0.006 0.000 0.284 65 T C 0.895 175.493 174.700 -0.170 0.000 1.004 65 T CA -0.207 61.717 62.100 -0.295 0.000 1.021 65 T CB 1.671 70.451 68.868 -0.147 0.000 1.013 65 T HN 0.075 nan 8.240 nan 0.000 0.527 66 E N 0.936 121.039 120.200 -0.162 0.000 2.060 66 E HA 0.119 4.465 4.350 -0.006 0.000 0.189 66 E C 2.215 178.777 176.600 -0.063 0.000 0.974 66 E CA 1.101 57.450 56.400 -0.086 0.000 0.808 66 E CB -0.537 29.112 29.700 -0.084 0.000 0.768 66 E HN 0.667 nan 8.360 nan 0.000 0.453 67 A N 0.740 123.517 122.820 -0.071 0.000 2.019 67 A HA -0.004 4.312 4.320 -0.006 0.000 0.219 67 A C 2.290 179.841 177.584 -0.055 0.000 1.164 67 A CA 1.729 53.732 52.037 -0.055 0.000 0.644 67 A CB -0.771 18.199 19.000 -0.051 0.000 0.805 67 A HN 0.337 nan 8.150 nan 0.000 0.449 68 A N 0.061 122.846 122.820 -0.058 0.000 1.835 68 A HA -0.133 4.184 4.320 -0.006 0.000 0.215 68 A C 2.517 180.063 177.584 -0.063 0.000 1.199 68 A CA 2.740 54.747 52.037 -0.051 0.000 0.615 68 A CB -1.621 17.359 19.000 -0.033 0.000 0.838 68 A HN 0.866 nan 8.150 nan 0.000 0.444 69 T N -1.711 112.810 114.554 -0.055 0.000 2.778 69 T HA -0.052 4.294 4.350 -0.006 0.000 0.269 69 T C 1.834 176.489 174.700 -0.074 0.000 1.050 69 T CA 2.074 64.134 62.100 -0.067 0.000 1.137 69 T CB -0.643 68.207 68.868 -0.029 0.000 0.860 69 T HN 0.657 nan 8.240 nan 0.000 0.468 70 A N 1.696 124.482 122.820 -0.057 0.000 1.858 70 A HA -0.079 4.237 4.320 -0.006 0.000 0.216 70 A C 2.380 179.919 177.584 -0.075 0.000 1.190 70 A CA 1.827 53.831 52.037 -0.056 0.000 0.617 70 A CB -0.964 18.009 19.000 -0.043 0.000 0.827 70 A HN 0.720 nan 8.150 nan 0.000 0.443 71 E N -0.751 119.401 120.200 -0.079 0.000 2.077 71 E HA -0.182 4.164 4.350 -0.006 0.000 0.193 71 E C 1.927 178.453 176.600 -0.124 0.000 0.989 71 E CA 1.120 57.464 56.400 -0.094 0.000 0.800 71 E CB -0.155 29.491 29.700 -0.089 0.000 0.746 71 E HN 0.358 nan 8.360 nan 0.000 0.452 72 L N 1.466 122.609 121.223 -0.133 0.000 2.046 72 L HA -0.124 4.212 4.340 -0.006 0.000 0.208 72 L C 2.317 179.060 176.870 -0.211 0.000 1.077 72 L CA 1.702 56.436 54.840 -0.176 0.000 0.747 72 L CB -0.823 41.133 42.059 -0.172 0.000 0.896 72 L HN 0.120 nan 8.230 nan 0.000 0.432 73 R N -1.205 119.188 120.500 -0.178 0.000 2.092 73 R HA -0.085 4.251 4.340 -0.006 0.000 0.231 73 R C 2.171 178.385 176.300 -0.142 0.000 1.119 73 R CA 1.042 57.036 56.100 -0.176 0.000 0.970 73 R CB -0.545 29.681 30.300 -0.124 0.000 0.864 73 R HN 0.509 nan 8.270 nan 0.000 0.440 74 G N 0.723 109.453 108.800 -0.117 0.000 2.404 74 G HA2 -0.292 3.664 3.960 -0.006 0.000 0.214 74 G HA3 -0.292 3.664 3.960 -0.006 0.000 0.214 74 G C 1.420 176.259 174.900 -0.102 0.000 1.189 74 G CA 0.537 45.581 45.100 -0.094 0.000 0.789 74 G HN 0.153 nan 8.290 nan 0.000 0.533 75 R N 0.746 121.169 120.500 -0.129 0.000 2.117 75 R HA -0.025 4.312 4.340 -0.006 0.000 0.243 75 R C 2.416 178.642 176.300 -0.123 0.000 1.143 75 R CA 1.387 57.404 56.100 -0.137 0.000 0.968 75 R CB -0.741 29.445 30.300 -0.189 0.000 0.863 75 R HN 0.470 nan 8.270 nan 0.000 0.444 76 I N -0.144 120.324 120.570 -0.170 0.000 2.202 76 I HA -0.214 3.953 4.170 -0.006 0.000 0.242 76 I C 2.672 178.753 176.117 -0.060 0.000 1.091 76 I CA 1.311 62.506 61.300 -0.174 0.000 1.368 76 I CB -0.421 37.331 38.000 -0.413 0.000 1.058 76 I HN 0.244 nan 8.210 nan 0.000 0.410 77 R N 0.528 120.994 120.500 -0.056 0.000 2.117 77 R HA -0.223 4.114 4.340 -0.006 0.000 0.243 77 R C 2.414 178.745 176.300 0.051 0.000 1.143 77 R CA 2.034 58.136 56.100 0.004 0.000 0.968 77 R CB -0.249 30.040 30.300 -0.019 0.000 0.863 77 R HN 0.260 nan 8.270 nan 0.000 0.444 78 S N 0.555 116.273 115.700 0.031 0.000 2.335 78 S HA -0.116 4.350 4.470 -0.006 0.000 0.216 78 S C 1.563 176.244 174.600 0.135 0.000 1.032 78 S CA 1.415 59.661 58.200 0.077 0.000 1.000 78 S CB -0.241 62.978 63.200 0.032 0.000 0.928 78 S HN 0.460 nan 8.310 nan 0.000 0.434 79 N N 1.675 120.443 118.700 0.113 0.000 2.132 79 N HA -0.101 4.635 4.740 -0.006 0.000 0.191 79 N C 1.775 177.411 175.510 0.210 0.000 1.015 79 N CA 1.588 54.750 53.050 0.186 0.000 0.864 79 N CB -0.672 37.860 38.487 0.074 0.000 1.006 79 N HN 0.493 nan 8.380 nan 0.000 0.430 80 I N 0.182 120.848 120.570 0.160 0.000 2.142 80 I HA -0.281 3.886 4.170 -0.006 0.000 0.240 80 I C 2.328 178.550 176.117 0.175 0.000 1.078 80 I CA 1.249 62.648 61.300 0.165 0.000 1.343 80 I CB -0.380 37.716 38.000 0.159 0.000 1.046 80 I HN 0.168 nan 8.210 nan 0.000 0.405 81 H N 1.066 120.183 119.070 0.078 0.000 2.457 81 H HA -0.165 4.387 4.556 -0.006 0.000 0.297 81 H C 1.997 177.355 175.328 0.050 0.000 1.092 81 H CA 1.846 57.926 56.048 0.053 0.000 1.309 81 H CB 0.086 29.865 29.762 0.029 0.000 1.382 81 H HN 0.383 nan 8.280 nan 0.000 0.535 82 E N -0.022 120.183 120.200 0.008 0.000 2.022 82 E HA -0.094 4.252 4.350 -0.006 0.000 0.190 82 E C 2.277 178.878 176.600 0.002 0.000 0.973 82 E CA 0.452 56.794 56.400 -0.097 0.000 0.816 82 E CB -0.273 29.361 29.700 -0.110 0.000 0.781 82 E HN 0.312 nan 8.360 nan 0.000 0.456 83 L N 1.807 123.211 121.223 0.303 0.000 2.197 83 L HA -0.253 4.084 4.340 -0.006 0.000 0.215 83 L C 2.488 179.428 176.870 0.116 0.000 1.095 83 L CA 1.627 56.660 54.840 0.323 0.000 0.764 83 L CB -0.362 41.848 42.059 0.253 0.000 0.897 83 L HN 0.139 nan 8.230 nan 0.000 0.436 84 R N -0.076 120.460 120.500 0.059 0.000 2.062 84 R HA -0.128 4.208 4.340 -0.006 0.000 0.229 84 R C 2.358 178.635 176.300 -0.039 0.000 1.128 84 R CA 1.286 57.398 56.100 0.019 0.000 0.960 84 R CB -0.235 30.085 30.300 0.034 0.000 0.855 84 R HN 0.357 nan 8.270 nan 0.000 0.432 85 I N 1.089 121.586 120.570 -0.121 0.000 2.226 85 I HA -0.206 3.961 4.170 -0.006 0.000 0.245 85 I C 2.080 178.142 176.117 -0.092 0.000 1.100 85 I CA 1.290 62.501 61.300 -0.148 0.000 1.374 85 I CB -0.237 37.605 38.000 -0.263 0.000 1.057 85 I HN 0.313 nan 8.210 nan 0.000 0.413 86 A N -1.195 121.579 122.820 -0.075 0.000 2.248 86 A HA -0.140 4.176 4.320 -0.006 0.000 0.210 86 A C 2.126 179.704 177.584 -0.010 0.000 1.174 86 A CA 0.809 52.820 52.037 -0.043 0.000 0.750 86 A CB -0.826 18.161 19.000 -0.022 0.000 0.780 86 A HN 0.554 nan 8.150 nan 0.000 0.478 87 C N -1.755 117.536 119.300 -0.015 0.000 2.700 87 C HA 0.291 4.747 4.460 -0.006 0.000 0.297 87 C C 2.319 177.291 174.990 -0.030 0.000 1.293 87 C CA 0.206 59.214 59.018 -0.016 0.000 1.756 87 C CB -0.797 26.936 27.740 -0.013 0.000 2.210 87 C HN 0.663 nan 8.230 nan 0.000 0.553 88 L N 0.169 121.371 121.223 -0.034 0.000 2.240 88 L HA 0.030 4.367 4.340 -0.006 0.000 0.211 88 L C 2.426 179.277 176.870 -0.033 0.000 1.106 88 L CA 1.180 56.000 54.840 -0.034 0.000 0.793 88 L CB -0.451 41.587 42.059 -0.034 0.000 0.927 88 L HN 0.284 nan 8.230 nan 0.000 0.446 89 R N -0.094 120.385 120.500 -0.036 0.000 2.300 89 R HA 0.034 4.370 4.340 -0.006 0.000 0.199 89 R C 0.303 176.587 176.300 -0.027 0.000 0.920 89 R CA -0.024 56.056 56.100 -0.033 0.000 1.046 89 R CB 0.138 30.414 30.300 -0.041 0.000 0.984 89 R HN 0.217 nan 8.270 nan 0.000 0.493 90 E N 0.398 120.583 120.200 -0.025 0.000 3.146 90 E HA -0.221 4.125 4.350 -0.006 0.000 0.277 90 E C -0.690 175.902 176.600 -0.014 0.000 1.003 90 E CA 1.386 57.774 56.400 -0.020 0.000 0.861 90 E CB -1.091 28.596 29.700 -0.022 0.000 1.436 90 E HN 0.505 nan 8.360 nan 0.000 0.455 91 T N -2.586 111.958 114.554 -0.017 0.000 2.971 91 T HA 0.573 4.919 4.350 -0.006 0.000 0.304 91 T C -0.433 174.255 174.700 -0.021 0.000 1.038 91 T CA -0.699 61.392 62.100 -0.015 0.000 1.007 91 T CB 2.444 71.301 68.868 -0.018 0.000 1.055 91 T HN -0.066 nan 8.240 nan 0.000 0.451 92 T N 2.331 116.878 114.554 -0.010 0.000 2.912 92 T HA 0.576 4.922 4.350 -0.006 0.000 0.299 92 T C -1.346 173.347 174.700 -0.011 0.000 1.052 92 T CA -0.754 61.333 62.100 -0.022 0.000 0.996 92 T CB 1.709 70.583 68.868 0.010 0.000 1.070 92 T HN 0.696 nan 8.240 nan 0.000 0.465 93 D N 2.218 122.599 120.400 -0.030 0.000 2.607 93 D HA 0.454 5.090 4.640 -0.006 0.000 0.318 93 D C -0.881 175.408 176.300 -0.019 0.000 1.212 93 D CA -0.354 53.637 54.000 -0.015 0.000 0.861 93 D CB 0.323 41.112 40.800 -0.018 0.000 1.064 93 D HN 0.265 nan 8.370 nan 0.000 0.500 94 N N 0.658 119.362 118.700 0.006 0.000 2.777 94 N HA 0.184 4.921 4.740 -0.006 0.000 0.260 94 N C -2.279 173.301 175.510 0.117 0.000 1.113 94 N CA -1.121 51.947 53.050 0.029 0.000 0.996 94 N CB 1.877 40.339 38.487 -0.042 0.000 1.584 94 N HN -0.100 nan 8.380 nan 0.000 0.573 95 P HA -0.334 nan 4.420 nan 0.000 0.244 95 P C 1.453 178.816 177.300 0.104 0.000 0.880 95 P CA 0.654 63.799 63.100 0.075 0.000 1.097 95 P CB 0.107 31.826 31.700 0.032 0.000 0.731 96 L N -2.374 118.875 121.223 0.043 0.000 2.320 96 L HA -0.418 3.918 4.340 -0.006 0.000 0.243 96 L C 2.507 179.333 176.870 -0.073 0.000 1.131 96 L CA 2.310 57.111 54.840 -0.065 0.000 0.843 96 L CB -1.286 40.655 42.059 -0.196 0.000 0.976 96 L HN 0.186 nan 8.230 nan 0.000 0.437 97 Y N -0.358 119.937 120.300 -0.008 0.000 2.062 97 Y HA -0.378 4.168 4.550 -0.006 0.000 0.276 97 Y C 2.634 178.528 175.900 -0.010 0.000 1.189 97 Y CA 2.141 60.237 58.100 -0.008 0.000 1.130 97 Y CB -0.750 37.702 38.460 -0.012 0.000 0.959 97 Y HN 0.408 nan 8.280 nan 0.000 0.499 98 E N 0.238 120.530 120.200 0.153 0.000 2.058 98 E HA -0.251 4.095 4.350 -0.006 0.000 0.194 98 E C 2.395 179.018 176.600 0.038 0.000 0.997 98 E CA 1.025 57.471 56.400 0.076 0.000 0.801 98 E CB -0.167 29.567 29.700 0.057 0.000 0.746 98 E HN 0.342 nan 8.360 nan 0.000 0.450 99 R N 0.063 120.577 120.500 0.023 0.000 2.241 99 R HA -0.091 4.245 4.340 -0.006 0.000 0.224 99 R C 2.263 178.559 176.300 -0.006 0.000 1.101 99 R CA 0.538 56.641 56.100 0.004 0.000 0.995 99 R CB 0.016 30.312 30.300 -0.006 0.000 0.870 99 R HN 0.294 nan 8.270 nan 0.000 0.463 100 L N -0.192 121.025 121.223 -0.010 0.000 2.102 100 L HA -0.095 4.242 4.340 -0.006 0.000 0.202 100 L C 2.131 179.002 176.870 0.002 0.000 1.076 100 L CA 0.730 55.559 54.840 -0.018 0.000 0.761 100 L CB -0.201 41.829 42.059 -0.049 0.000 0.921 100 L HN 0.195 nan 8.230 nan 0.000 0.444 101 L N -0.230 121.005 121.223 0.019 0.000 2.191 101 L HA -0.206 4.130 4.340 -0.006 0.000 0.212 101 L C 2.349 179.221 176.870 0.003 0.000 1.103 101 L CA 1.160 56.008 54.840 0.014 0.000 0.769 101 L CB -0.421 41.653 42.059 0.024 0.000 0.908 101 L HN 0.311 nan 8.230 nan 0.000 0.438 102 E N -0.284 119.919 120.200 0.005 0.000 2.268 102 E HA -0.239 4.107 4.350 -0.006 0.000 0.195 102 E C 1.686 178.284 176.600 -0.002 0.000 0.995 102 E CA 0.811 57.211 56.400 0.001 0.000 0.836 102 E CB 0.064 29.765 29.700 0.003 0.000 0.763 102 E HN 0.454 nan 8.360 nan 0.000 0.491 103 E N 0.314 120.513 120.200 -0.002 0.000 2.447 103 E HA 0.079 4.425 4.350 -0.006 0.000 0.195 103 E C 0.163 176.762 176.600 -0.001 0.000 1.028 103 E CA -0.121 56.279 56.400 -0.001 0.000 0.876 103 E CB 0.450 30.150 29.700 -0.000 0.000 0.885 103 E HN 0.092 nan 8.360 nan 0.000 0.500 104 I N 0.956 121.521 120.570 -0.007 0.000 2.519 104 I HA 0.048 4.214 4.170 -0.006 0.000 0.287 104 I C 0.350 176.449 176.117 -0.031 0.000 1.047 104 I CA 0.073 61.361 61.300 -0.020 0.000 1.381 104 I CB 1.219 39.203 38.000 -0.027 0.000 1.417 104 I HN -0.040 nan 8.210 nan 0.000 0.540 105 D N 1.800 122.172 120.400 -0.047 0.000 2.388 105 D HA -0.004 4.632 4.640 -0.006 0.000 0.208 105 D C -0.061 176.194 176.300 -0.075 0.000 1.035 105 D CA 0.637 54.607 54.000 -0.049 0.000 0.875 105 D CB 0.418 41.196 40.800 -0.037 0.000 0.984 105 D HN 0.438 nan 8.370 nan 0.000 0.508 106 D N -0.374 119.956 120.400 -0.117 0.000 2.621 106 D HA 0.108 4.745 4.640 -0.006 0.000 0.274 106 D C 0.591 176.792 176.300 -0.165 0.000 1.215 106 D CA -0.266 53.648 54.000 -0.143 0.000 0.810 106 D CB 0.260 40.949 40.800 -0.185 0.000 1.248 106 D HN -0.330 nan 8.370 nan 0.000 0.517 107 K N 0.687 121.021 120.400 -0.110 0.000 2.259 107 K HA -0.169 4.147 4.320 -0.006 0.000 0.206 107 K C 1.804 178.338 176.600 -0.110 0.000 1.044 107 K CA 1.595 57.826 56.287 -0.093 0.000 0.931 107 K CB -0.288 32.177 32.500 -0.057 0.000 0.726 107 K HN 0.409 nan 8.250 nan 0.000 0.467 108 A N 0.142 122.890 122.820 -0.120 0.000 1.968 108 A HA -0.163 4.153 4.320 -0.006 0.000 0.217 108 A C 2.180 179.661 177.584 -0.171 0.000 1.169 108 A CA 1.351 53.319 52.037 -0.115 0.000 0.638 108 A CB -0.276 18.668 19.000 -0.093 0.000 0.812 108 A HN 0.386 nan 8.150 nan 0.000 0.446 109 Q N -0.827 118.802 119.800 -0.285 0.000 2.062 109 Q HA 0.009 4.346 4.340 -0.006 0.000 0.196 109 Q C 2.310 177.949 176.000 -0.601 0.000 0.967 109 Q CA 0.989 56.489 55.803 -0.505 0.000 0.832 109 Q CB -0.243 28.052 28.738 -0.738 0.000 0.899 109 Q HN 0.592 nan 8.270 nan 0.000 0.442 110 A N 0.933 123.467 122.820 -0.477 0.000 1.986 110 A HA -0.209 4.108 4.320 -0.006 0.000 0.220 110 A C 2.210 179.766 177.584 -0.046 0.000 1.171 110 A CA 1.785 53.689 52.037 -0.222 0.000 0.640 110 A CB -0.831 18.101 19.000 -0.114 0.000 0.811 110 A HN 0.515 nan 8.150 nan 0.000 0.451 111 A N -1.034 121.741 122.820 -0.074 0.000 1.902 111 A HA -0.182 4.135 4.320 -0.006 0.000 0.217 111 A C 2.156 179.758 177.584 0.030 0.000 1.181 111 A CA 2.164 54.194 52.037 -0.013 0.000 0.623 111 A CB -0.452 18.528 19.000 -0.033 0.000 0.818 111 A HN 0.565 nan 8.150 nan 0.000 0.443 112 Q N -1.039 118.766 119.800 0.008 0.000 1.994 112 Q HA -0.143 4.193 4.340 -0.006 0.000 0.198 112 Q C 1.786 177.922 176.000 0.228 0.000 0.976 112 Q CA 1.867 57.723 55.803 0.088 0.000 0.828 112 Q CB -0.556 28.221 28.738 0.065 0.000 0.894 112 Q HN 0.669 nan 8.270 nan 0.000 0.432 113 W N 0.772 122.082 121.300 0.016 0.000 2.302 113 W HA -0.208 4.448 4.660 -0.006 0.000 0.320 113 W C 2.161 178.692 176.519 0.020 0.000 1.241 113 W CA 1.073 58.426 57.345 0.015 0.000 1.264 113 W CB -1.236 28.229 29.460 0.009 0.000 1.154 113 W HN 0.249 nan 8.180 nan 0.000 0.483 114 L N -0.654 120.732 121.223 0.270 0.000 2.046 114 L HA -0.234 4.102 4.340 -0.006 0.000 0.208 114 L C 2.492 179.447 176.870 0.142 0.000 1.077 114 L CA 0.977 55.920 54.840 0.173 0.000 0.747 114 L CB -1.197 40.943 42.059 0.134 0.000 0.896 114 L HN -0.027 nan 8.230 nan 0.000 0.432 115 L N -0.015 121.287 121.223 0.132 0.000 2.043 115 L HA -0.255 4.081 4.340 -0.006 0.000 0.212 115 L C 2.337 179.269 176.870 0.104 0.000 1.075 115 L CA 1.834 56.742 54.840 0.112 0.000 0.752 115 L CB -0.379 41.738 42.059 0.096 0.000 0.891 115 L HN 0.118 nan 8.230 nan 0.000 0.432 116 L N -0.794 120.495 121.223 0.109 0.000 2.017 116 L HA -0.171 4.165 4.340 -0.006 0.000 0.208 116 L C 2.726 179.642 176.870 0.077 0.000 1.073 116 L CA 1.192 56.082 54.840 0.084 0.000 0.745 116 L CB -1.115 40.989 42.059 0.075 0.000 0.894 116 L HN 0.381 nan 8.230 nan 0.000 0.432 117 A N -0.290 122.583 122.820 0.088 0.000 1.986 117 A HA -0.272 4.044 4.320 -0.006 0.000 0.220 117 A C 2.224 179.868 177.584 0.100 0.000 1.171 117 A CA 1.978 54.070 52.037 0.091 0.000 0.640 117 A CB -0.493 18.568 19.000 0.102 0.000 0.811 117 A HN 0.487 nan 8.150 nan 0.000 0.451 118 E N -0.400 119.861 120.200 0.101 0.000 2.007 118 E HA -0.167 4.179 4.350 -0.006 0.000 0.194 118 E C 2.119 178.756 176.600 0.062 0.000 0.999 118 E CA 1.060 57.515 56.400 0.092 0.000 0.811 118 E CB -0.099 29.669 29.700 0.113 0.000 0.762 118 E HN 0.590 nan 8.360 nan 0.000 0.450 119 R N 0.106 120.641 120.500 0.059 0.000 2.328 119 R HA -0.064 4.273 4.340 -0.006 0.000 0.207 119 R C 2.031 178.357 176.300 0.044 0.000 1.056 119 R CA 0.460 56.585 56.100 0.043 0.000 1.016 119 R CB 0.064 30.390 30.300 0.043 0.000 0.872 119 R HN 0.176 nan 8.270 nan 0.000 0.471 120 Q N -0.316 119.516 119.800 0.054 0.000 2.376 120 Q HA 0.134 4.470 4.340 -0.006 0.000 0.206 120 Q C 1.837 177.873 176.000 0.060 0.000 0.921 120 Q CA 0.458 56.295 55.803 0.057 0.000 0.911 120 Q CB 0.229 29.004 28.738 0.061 0.000 1.032 120 Q HN 0.237 nan 8.270 nan 0.000 0.510 121 M N 1.758 121.391 119.600 0.055 0.000 2.252 121 M HA -0.197 4.280 4.480 -0.006 0.000 0.257 121 M C 0.931 177.250 176.300 0.031 0.000 1.077 121 M CA 1.385 56.708 55.300 0.040 0.000 1.066 121 M CB -1.209 31.403 32.600 0.021 0.000 1.380 121 M HN 0.214 nan 8.290 nan 0.000 0.412 122 D N -0.693 119.728 120.400 0.036 0.000 2.348 122 D HA -0.095 4.542 4.640 -0.006 0.000 0.248 122 D C 0.745 177.084 176.300 0.066 0.000 1.142 122 D CA 0.547 54.571 54.000 0.040 0.000 0.904 122 D CB -0.414 40.406 40.800 0.033 0.000 0.901 122 D HN 0.498 nan 8.370 nan 0.000 0.523 123 E N -1.196 119.051 120.200 0.078 0.000 2.835 123 E HA 0.255 4.601 4.350 -0.006 0.000 0.183 123 E C -0.501 176.175 176.600 0.126 0.000 0.934 123 E CA -0.300 56.173 56.400 0.121 0.000 1.324 123 E CB 0.988 30.757 29.700 0.115 0.000 1.038 123 E HN 0.278 nan 8.360 nan 0.000 0.481 124 A N 1.061 123.918 122.820 0.061 0.000 2.546 124 A HA 0.330 4.646 4.320 -0.006 0.000 0.243 124 A C 0.874 178.383 177.584 -0.126 0.000 1.063 124 A CA 0.685 52.729 52.037 0.012 0.000 0.757 124 A CB 0.159 19.131 19.000 -0.046 0.000 0.991 124 A HN 0.290 nan 8.150 nan 0.000 0.503 125 A N 3.134 125.881 122.820 -0.122 0.000 3.004 125 A HA 0.442 4.758 4.320 -0.006 0.000 0.252 125 A C 0.073 177.063 177.584 -0.991 0.000 1.802 125 A CA -0.029 51.709 52.037 -0.498 0.000 1.424 125 A CB -0.920 18.137 19.000 0.096 0.000 1.005 125 A HN 0.994 nan 8.150 nan 0.000 0.631 126 V N 1.841 121.140 119.914 -1.026 0.000 2.289 126 V HA 0.465 4.581 4.120 -0.006 0.000 0.272 126 V C -0.687 175.038 176.094 -0.615 0.000 1.026 126 V CA -0.402 61.486 62.300 -0.686 0.000 0.807 126 V CB -0.569 31.029 31.823 -0.376 0.000 1.044 126 V HN 0.501 nan 8.190 nan 0.000 0.443 127 F N 0.857 120.805 119.950 -0.003 0.000 2.671 127 F HA 0.806 5.330 4.527 -0.006 0.000 0.373 127 F C 0.970 176.801 175.800 0.053 0.000 1.122 127 F CA -1.024 57.007 58.000 0.051 0.000 1.082 127 F CB 0.825 39.898 39.000 0.123 0.000 1.399 127 F HN 0.345 nan 8.300 nan 0.000 0.509 128 T N -1.491 113.256 114.554 0.322 0.000 2.912 128 T HA 0.357 4.703 4.350 -0.006 0.000 0.280 128 T C 1.152 176.017 174.700 0.274 0.000 0.989 128 T CA -0.655 61.575 62.100 0.216 0.000 0.995 128 T CB 0.717 69.683 68.868 0.164 0.000 1.077 128 T HN 0.366 nan 8.240 nan 0.000 0.531 129 I N 0.845 121.535 120.570 0.199 0.000 2.151 129 I HA -0.200 3.966 4.170 -0.006 0.000 0.243 129 I C 2.545 178.769 176.117 0.178 0.000 1.080 129 I CA 1.802 63.208 61.300 0.175 0.000 1.339 129 I CB -1.721 36.273 38.000 -0.011 0.000 1.039 129 I HN 0.730 nan 8.210 nan 0.000 0.409 130 H N 0.441 119.691 119.070 0.300 0.000 2.389 130 H HA 0.006 4.559 4.556 -0.006 0.000 0.299 130 H C 2.366 177.822 175.328 0.213 0.000 1.081 130 H CA 1.421 57.634 56.048 0.275 0.000 1.345 130 H CB -0.512 29.464 29.762 0.358 0.000 1.393 130 H HN 0.363 nan 8.280 nan 0.000 0.520 131 G N 0.147 109.143 108.800 0.327 0.000 2.421 131 G HA2 -0.226 3.730 3.960 -0.006 0.000 0.217 131 G HA3 -0.226 3.730 3.960 -0.006 0.000 0.217 131 G C 1.714 176.658 174.900 0.073 0.000 1.143 131 G CA 0.310 45.523 45.100 0.188 0.000 0.784 131 G HN 0.398 nan 8.290 nan 0.000 0.541 132 F N 1.162 121.164 119.950 0.086 0.000 2.102 132 F HA -0.147 4.376 4.527 -0.006 0.000 0.298 132 F C 2.760 178.589 175.800 0.048 0.000 1.105 132 F CA 1.546 59.586 58.000 0.066 0.000 1.239 132 F CB -0.323 38.823 39.000 0.244 0.000 0.991 132 F HN 0.193 nan 8.300 nan 0.000 0.474 133 C N 1.518 120.802 119.300 -0.027 0.000 2.504 133 C HA -0.277 4.179 4.460 -0.006 0.000 0.285 133 C C 2.875 177.763 174.990 -0.169 0.000 1.225 133 C CA 1.505 60.441 59.018 -0.138 0.000 1.755 133 C CB -1.688 26.091 27.740 0.066 0.000 2.065 133 C HN 0.686 nan 8.230 nan 0.000 0.452 134 Q N 0.839 120.592 119.800 -0.078 0.000 2.449 134 Q HA -0.233 4.103 4.340 -0.006 0.000 0.214 134 Q C 1.916 177.833 176.000 -0.139 0.000 0.986 134 Q CA 1.691 57.433 55.803 -0.101 0.000 0.893 134 Q CB -0.354 28.338 28.738 -0.077 0.000 0.940 134 Q HN 0.645 nan 8.270 nan 0.000 0.477 135 R N -0.478 119.906 120.500 -0.194 0.000 2.057 135 R HA 0.042 4.378 4.340 -0.006 0.000 0.224 135 R C 2.120 178.303 176.300 -0.194 0.000 1.136 135 R CA 1.380 57.350 56.100 -0.217 0.000 0.968 135 R CB 0.039 30.132 30.300 -0.345 0.000 0.863 135 R HN 0.266 nan 8.270 nan 0.000 0.433 136 M N 0.213 119.643 119.600 -0.283 0.000 2.086 136 M HA -0.115 4.361 4.480 -0.006 0.000 0.261 136 M C 2.058 178.260 176.300 -0.164 0.000 1.067 136 M CA 1.349 56.512 55.300 -0.229 0.000 1.116 136 M CB -1.007 31.369 32.600 -0.373 0.000 1.348 136 M HN 0.100 nan 8.290 nan 0.000 0.407 137 L N 0.866 121.986 121.223 -0.172 0.000 1.956 137 L HA -0.231 4.105 4.340 -0.006 0.000 0.216 137 L C 1.931 178.722 176.870 -0.131 0.000 1.073 137 L CA 1.932 56.691 54.840 -0.135 0.000 0.762 137 L CB -1.446 40.538 42.059 -0.126 0.000 0.889 137 L HN 0.323 nan 8.230 nan 0.000 0.433 138 N N -1.428 117.198 118.700 -0.123 0.000 2.588 138 N HA -0.151 4.585 4.740 -0.006 0.000 0.190 138 N C 1.418 176.883 175.510 -0.076 0.000 1.094 138 N CA 0.475 53.465 53.050 -0.100 0.000 0.921 138 N CB -0.035 38.407 38.487 -0.074 0.000 0.959 138 N HN 0.154 nan 8.380 nan 0.000 0.448 139 L N -0.228 120.941 121.223 -0.090 0.000 2.316 139 L HA 0.206 4.542 4.340 -0.006 0.000 0.207 139 L C 0.347 177.154 176.870 -0.105 0.000 1.070 139 L CA 0.852 55.646 54.840 -0.077 0.000 0.820 139 L CB 0.154 42.176 42.059 -0.062 0.000 0.992 139 L HN 0.105 nan 8.230 nan 0.000 0.466 140 N N -0.108 118.526 118.700 -0.110 0.000 2.546 140 N HA 0.201 4.938 4.740 -0.006 0.000 0.286 140 N C 1.346 176.771 175.510 -0.140 0.000 1.259 140 N CA 0.651 53.637 53.050 -0.108 0.000 0.939 140 N CB 0.744 39.195 38.487 -0.059 0.000 1.243 140 N HN 0.201 nan 8.380 nan 0.000 0.511 141 A N 0.854 123.535 122.820 -0.232 0.000 1.929 141 A HA -0.220 4.096 4.320 -0.006 0.000 0.221 141 A C 1.790 179.281 177.584 -0.156 0.000 1.211 141 A CA 1.400 53.263 52.037 -0.291 0.000 0.657 141 A CB -0.938 17.776 19.000 -0.478 0.000 0.827 141 A HN 0.399 nan 8.150 nan 0.000 0.462 142 F N -0.413 119.525 119.950 -0.020 0.000 2.095 142 F HA -0.234 4.290 4.527 -0.006 0.000 0.298 142 F C 2.569 178.350 175.800 -0.031 0.000 1.104 142 F CA 1.373 59.365 58.000 -0.012 0.000 1.232 142 F CB -0.366 38.652 39.000 0.029 0.000 0.987 142 F HN 0.227 nan 8.300 nan 0.000 0.475 143 E N 0.172 120.464 120.200 0.152 0.000 2.106 143 E HA -0.156 4.190 4.350 -0.006 0.000 0.192 143 E C 2.134 178.746 176.600 0.020 0.000 0.984 143 E CA 1.526 57.968 56.400 0.070 0.000 0.806 143 E CB -0.267 29.457 29.700 0.041 0.000 0.750 143 E HN 0.308 nan 8.360 nan 0.000 0.458 144 S N -1.007 114.685 115.700 -0.013 0.000 2.548 144 S HA 0.181 4.647 4.470 -0.006 0.000 0.215 144 S C 1.604 176.174 174.600 -0.050 0.000 0.976 144 S CA 0.174 58.349 58.200 -0.042 0.000 0.908 144 S CB 0.174 63.330 63.200 -0.073 0.000 0.781 144 S HN 0.309 nan 8.310 nan 0.000 0.519 145 G N 1.983 110.761 108.800 -0.037 0.000 2.323 145 G HA2 -0.231 3.725 3.960 -0.006 0.000 0.292 145 G HA3 -0.231 3.725 3.960 -0.006 0.000 0.292 145 G C -0.027 174.807 174.900 -0.110 0.000 1.040 145 G CA 0.529 45.600 45.100 -0.048 0.000 0.942 145 G HN 0.438 nan 8.290 nan 0.000 0.506 146 M N -0.690 118.803 119.600 -0.179 0.000 2.359 146 M HA 0.497 4.974 4.480 -0.006 0.000 0.322 146 M C 0.969 177.045 176.300 -0.373 0.000 1.166 146 M CA -0.574 54.588 55.300 -0.231 0.000 1.067 146 M CB 1.188 33.655 32.600 -0.222 0.000 1.523 146 M HN 0.099 nan 8.290 nan 0.000 0.467 147 L N 1.235 122.278 121.223 -0.300 0.000 2.334 147 L HA 0.222 4.558 4.340 -0.006 0.000 0.277 147 L C 0.628 177.290 176.870 -0.347 0.000 1.075 147 L CA -0.262 54.386 54.840 -0.321 0.000 0.804 147 L CB 0.730 42.707 42.059 -0.137 0.000 1.174 147 L HN 0.650 nan 8.230 nan 0.000 0.438 148 F N 0.228 120.156 119.950 -0.036 0.000 2.451 148 F HA -0.070 4.453 4.527 -0.006 0.000 0.299 148 F C 0.761 176.535 175.800 -0.043 0.000 1.101 148 F CA 0.549 58.519 58.000 -0.050 0.000 1.436 148 F CB 0.144 39.119 39.000 -0.042 0.000 1.074 148 F HN 0.506 nan 8.300 nan 0.000 0.553 149 E N 0.605 120.857 120.200 0.087 0.000 2.795 149 E HA 0.158 4.504 4.350 -0.006 0.000 0.226 149 E C -0.453 176.143 176.600 -0.006 0.000 1.088 149 E CA -0.358 56.068 56.400 0.044 0.000 0.812 149 E CB 0.593 30.328 29.700 0.059 0.000 1.328 149 E HN 0.035 nan 8.360 nan 0.000 0.410 150 Q N 1.338 121.118 119.800 -0.034 0.000 2.235 150 Q HA 0.266 4.602 4.340 -0.006 0.000 0.250 150 Q C -0.521 175.448 176.000 -0.052 0.000 0.909 150 Q CA -0.173 55.596 55.803 -0.058 0.000 0.910 150 Q CB 1.870 30.555 28.738 -0.087 0.000 1.223 150 Q HN 0.446 nan 8.270 nan 0.000 0.432 151 Q N 1.865 121.633 119.800 -0.054 0.000 2.307 151 Q HA 0.286 4.622 4.340 -0.006 0.000 0.262 151 Q C -0.818 175.137 176.000 -0.074 0.000 0.961 151 Q CA -0.630 55.144 55.803 -0.047 0.000 0.882 151 Q CB 1.195 29.915 28.738 -0.029 0.000 1.264 151 Q HN 0.381 nan 8.270 nan 0.000 0.446 152 L N 5.948 127.122 121.223 -0.082 0.000 2.485 152 L HA 0.154 4.490 4.340 -0.006 0.000 0.279 152 L C -0.181 176.640 176.870 -0.081 0.000 1.124 152 L CA 0.291 55.052 54.840 -0.131 0.000 0.888 152 L CB -0.049 41.935 42.059 -0.125 0.000 1.217 152 L HN 0.684 nan 8.230 nan 0.000 0.464 153 I N 5.369 125.882 120.570 -0.094 0.000 2.836 153 I HA 0.029 4.195 4.170 -0.006 0.000 0.285 153 I C 1.351 177.473 176.117 0.008 0.000 1.174 153 I CA 0.689 61.966 61.300 -0.038 0.000 1.405 153 I CB 0.641 38.616 38.000 -0.040 0.000 1.385 153 I HN 0.742 nan 8.210 nan 0.000 0.594 154 E N 3.365 123.584 120.200 0.033 0.000 2.444 154 E HA 0.015 4.361 4.350 -0.006 0.000 0.203 154 E C 0.854 177.485 176.600 0.051 0.000 0.847 154 E CA 0.039 56.477 56.400 0.063 0.000 1.142 154 E CB -0.736 29.000 29.700 0.059 0.000 1.125 154 E HN 0.627 nan 8.360 nan 0.000 0.521 155 D N 2.027 122.447 120.400 0.034 0.000 2.207 155 D HA -0.257 4.380 4.640 -0.006 0.000 0.262 155 D C 1.007 177.325 176.300 0.029 0.000 1.356 155 D CA 2.201 56.217 54.000 0.027 0.000 1.126 155 D CB -0.274 40.538 40.800 0.019 0.000 1.921 155 D HN 0.293 nan 8.370 nan 0.000 0.634 156 E N -1.318 118.896 120.200 0.024 0.000 4.510 156 E HA -0.344 4.002 4.350 -0.006 0.000 0.189 156 E C 1.648 178.263 176.600 0.025 0.000 1.322 156 E CA 1.994 58.407 56.400 0.023 0.000 2.269 156 E CB -1.479 28.240 29.700 0.031 0.000 1.885 156 E HN 0.367 nan 8.360 nan 0.000 0.337 157 S N 0.731 116.446 115.700 0.024 0.000 2.440 157 S HA -0.143 4.323 4.470 -0.006 0.000 0.240 157 S C 1.968 176.588 174.600 0.033 0.000 1.014 157 S CA 1.872 60.083 58.200 0.019 0.000 0.980 157 S CB -0.263 62.941 63.200 0.007 0.000 0.775 157 S HN 0.368 nan 8.310 nan 0.000 0.499 158 L N -0.334 120.912 121.223 0.038 0.000 2.349 158 L HA 0.263 4.600 4.340 -0.006 0.000 0.200 158 L C 2.573 179.488 176.870 0.074 0.000 1.064 158 L CA 0.202 55.081 54.840 0.065 0.000 0.821 158 L CB -0.506 41.576 42.059 0.039 0.000 1.027 158 L HN 0.233 nan 8.230 nan 0.000 0.476 159 L N 0.840 122.086 121.223 0.038 0.000 2.081 159 L HA -0.271 4.066 4.340 -0.006 0.000 0.212 159 L C 2.646 179.523 176.870 0.011 0.000 1.080 159 L CA 1.909 56.760 54.840 0.019 0.000 0.754 159 L CB -0.566 41.498 42.059 0.009 0.000 0.893 159 L HN 0.347 nan 8.230 nan 0.000 0.433 160 R N -1.617 118.897 120.500 0.023 0.000 2.066 160 R HA -0.236 4.100 4.340 -0.006 0.000 0.232 160 R C 2.377 178.689 176.300 0.019 0.000 1.131 160 R CA 1.690 57.796 56.100 0.009 0.000 0.955 160 R CB -0.464 29.844 30.300 0.013 0.000 0.851 160 R HN 0.354 nan 8.270 nan 0.000 0.432 161 Y N 1.438 121.712 120.300 -0.044 0.000 2.200 161 Y HA -0.247 4.299 4.550 -0.006 0.000 0.290 161 Y C 2.384 178.264 175.900 -0.034 0.000 1.137 161 Y CA 2.073 60.144 58.100 -0.050 0.000 1.163 161 Y CB -0.444 37.984 38.460 -0.053 0.000 0.988 161 Y HN 0.166 nan 8.280 nan 0.000 0.518 162 Q N 0.042 119.770 119.800 -0.121 0.000 2.096 162 Q HA -0.233 4.103 4.340 -0.006 0.000 0.204 162 Q C 2.323 178.215 176.000 -0.180 0.000 0.982 162 Q CA 1.923 57.620 55.803 -0.177 0.000 0.850 162 Q CB -0.399 28.316 28.738 -0.039 0.000 0.901 162 Q HN 0.586 nan 8.270 nan 0.000 0.422 163 A N 0.337 123.089 122.820 -0.113 0.000 1.877 163 A HA -0.229 4.088 4.320 -0.006 0.000 0.216 163 A C 2.407 179.937 177.584 -0.090 0.000 1.186 163 A CA 1.447 53.436 52.037 -0.080 0.000 0.620 163 A CB -1.470 17.493 19.000 -0.062 0.000 0.822 163 A HN 0.701 nan 8.150 nan 0.000 0.443 164 C N -0.678 118.536 119.300 -0.143 0.000 2.410 164 C HA 0.077 4.534 4.460 -0.006 0.000 0.281 164 C C 3.010 177.954 174.990 -0.078 0.000 1.318 164 C CA 1.272 60.218 59.018 -0.121 0.000 1.776 164 C CB -1.325 26.326 27.740 -0.150 0.000 1.942 164 C HN 0.635 nan 8.230 nan 0.000 0.508 165 A N -0.587 122.074 122.820 -0.265 0.000 1.984 165 A HA 0.022 4.338 4.320 -0.006 0.000 0.214 165 A C 1.895 179.432 177.584 -0.078 0.000 1.173 165 A CA 1.374 53.274 52.037 -0.228 0.000 0.673 165 A CB -0.487 18.214 19.000 -0.497 0.000 0.830 165 A HN 0.546 nan 8.150 nan 0.000 0.453 166 D N -0.721 119.638 120.400 -0.069 0.000 2.178 166 D HA -0.130 4.506 4.640 -0.006 0.000 0.201 166 D C 1.504 177.805 176.300 0.002 0.000 0.980 166 D CA 1.049 55.029 54.000 -0.033 0.000 0.842 166 D CB -0.321 40.471 40.800 -0.013 0.000 0.948 166 D HN 0.453 nan 8.370 nan 0.000 0.472 167 F N -0.532 119.352 119.950 -0.110 0.000 2.134 167 F HA -0.137 4.386 4.527 -0.006 0.000 0.299 167 F C 2.073 177.816 175.800 -0.096 0.000 1.097 167 F CA 1.124 59.033 58.000 -0.150 0.000 1.264 167 F CB -0.380 38.498 39.000 -0.203 0.000 1.001 167 F HN -0.040 nan 8.300 nan 0.000 0.479 168 W N 1.545 122.683 121.300 -0.270 0.000 2.436 168 W HA -0.049 4.608 4.660 -0.006 0.000 0.284 168 W C 2.493 178.703 176.519 -0.515 0.000 1.225 168 W CA 1.630 58.763 57.345 -0.354 0.000 1.271 168 W CB -0.122 29.209 29.460 -0.214 0.000 1.114 168 W HN -0.135 nan 8.180 nan 0.000 0.559 169 R N 0.004 120.270 120.500 -0.390 0.000 2.055 169 R HA -0.084 4.252 4.340 -0.006 0.000 0.228 169 R C 2.249 178.251 176.300 -0.498 0.000 1.143 169 R CA 1.744 57.324 56.100 -0.866 0.000 0.945 169 R CB -0.804 29.185 30.300 -0.518 0.000 0.841 169 R HN 0.236 nan 8.270 nan 0.000 0.429 170 R N -0.140 120.216 120.500 -0.239 0.000 2.189 170 R HA -0.048 4.288 4.340 -0.006 0.000 0.218 170 R C 1.239 177.421 176.300 -0.197 0.000 1.074 170 R CA 1.489 57.513 56.100 -0.127 0.000 0.991 170 R CB -0.283 30.005 30.300 -0.020 0.000 0.883 170 R HN 0.307 nan 8.270 nan 0.000 0.457 171 H N -0.451 118.324 119.070 -0.492 0.000 2.451 171 H HA 0.199 4.751 4.556 -0.006 0.000 0.294 171 H C 1.572 176.583 175.328 -0.528 0.000 1.028 171 H CA 1.109 56.823 56.048 -0.558 0.000 1.349 171 H CB 0.241 29.422 29.762 -0.968 0.000 1.444 171 H HN 0.175 nan 8.280 nan 0.000 0.538 172 C N -0.597 118.342 119.300 -0.601 0.000 2.558 172 C HA 0.066 4.522 4.460 -0.006 0.000 0.288 172 C C 2.291 177.089 174.990 -0.319 0.000 1.338 172 C CA -0.177 58.438 59.018 -0.673 0.000 1.760 172 C CB -0.694 26.119 27.740 -1.546 0.000 2.159 172 C HN 0.593 nan 8.230 nan 0.000 0.518 173 Y N 2.166 122.265 120.300 -0.336 0.000 2.097 173 Y HA -0.152 4.394 4.550 -0.006 0.000 0.282 173 Y C 0.403 176.216 175.900 -0.144 0.000 1.152 173 Y CA 1.161 59.158 58.100 -0.171 0.000 1.136 173 Y CB -1.661 36.751 38.460 -0.081 0.000 0.975 173 Y HN 0.340 nan 8.280 nan 0.000 0.498 174 P HA -0.097 nan 4.420 nan 0.000 0.231 174 P C -0.006 177.256 177.300 -0.065 0.000 1.158 174 P CA 0.921 64.000 63.100 -0.036 0.000 0.763 174 P CB -0.160 31.500 31.700 -0.068 0.000 0.805 175 L N 2.361 123.533 121.223 -0.085 0.000 2.461 175 L HA 0.169 4.505 4.340 -0.006 0.000 0.272 175 L C -1.589 175.246 176.870 -0.058 0.000 1.197 175 L CA -1.606 53.185 54.840 -0.083 0.000 0.836 175 L CB -0.342 41.656 42.059 -0.102 0.000 1.105 175 L HN -0.037 nan 8.230 nan 0.000 0.477 176 P HA 0.183 nan 4.420 nan 0.000 0.288 176 P C -0.001 177.282 177.300 -0.028 0.000 1.267 176 P CA -0.694 62.380 63.100 -0.042 0.000 0.815 176 P CB 1.531 33.201 31.700 -0.051 0.000 0.989 177 R N 4.225 124.711 120.500 -0.022 0.000 2.224 177 R HA -0.286 4.050 4.340 -0.006 0.000 0.251 177 R C 1.981 178.289 176.300 0.013 0.000 1.123 177 R CA 2.985 59.077 56.100 -0.012 0.000 0.944 177 R CB -1.586 28.706 30.300 -0.013 0.000 0.910 177 R HN 0.706 nan 8.270 nan 0.000 0.440 178 E N -0.526 119.695 120.200 0.035 0.000 2.114 178 E HA -0.243 4.103 4.350 -0.006 0.000 0.199 178 E C 2.161 178.868 176.600 0.178 0.000 1.008 178 E CA 1.981 58.448 56.400 0.112 0.000 0.810 178 E CB -0.560 29.215 29.700 0.126 0.000 0.739 178 E HN 0.552 nan 8.360 nan 0.000 0.456 179 I N 1.306 121.941 120.570 0.110 0.000 2.235 179 I HA -0.153 4.013 4.170 -0.006 0.000 0.241 179 I C 2.802 178.934 176.117 0.025 0.000 1.085 179 I CA 0.732 62.121 61.300 0.147 0.000 1.378 179 I CB -0.600 37.446 38.000 0.076 0.000 1.076 179 I HN 0.229 nan 8.210 nan 0.000 0.415 180 A N 0.677 123.498 122.820 0.002 0.000 1.915 180 A HA -0.375 3.941 4.320 -0.006 0.000 0.220 180 A C 2.288 179.898 177.584 0.044 0.000 1.198 180 A CA 2.638 54.674 52.037 -0.002 0.000 0.647 180 A CB -1.056 17.937 19.000 -0.012 0.000 0.825 180 A HN 0.573 nan 8.150 nan 0.000 0.456 181 Q N -0.495 119.317 119.800 0.019 0.000 2.084 181 Q HA -0.133 4.203 4.340 -0.006 0.000 0.202 181 Q C 1.917 177.919 176.000 0.003 0.000 0.978 181 Q CA 2.088 57.919 55.803 0.047 0.000 0.844 181 Q CB -0.324 28.416 28.738 0.004 0.000 0.898 181 Q HN 0.421 nan 8.270 nan 0.000 0.426 182 V N 0.055 119.849 119.914 -0.200 0.000 2.231 182 V HA -0.307 3.809 4.120 -0.006 0.000 0.248 182 V C 2.360 178.275 176.094 -0.298 0.000 1.054 182 V CA 1.812 63.804 62.300 -0.514 0.000 1.015 182 V CB -0.762 30.461 31.823 -0.999 0.000 0.638 182 V HN 0.315 nan 8.190 nan 0.000 0.444 183 V N -0.358 119.485 119.914 -0.119 0.000 2.282 183 V HA -0.338 3.779 4.120 -0.006 0.000 0.249 183 V C 2.211 178.399 176.094 0.157 0.000 1.057 183 V CA 2.678 65.010 62.300 0.054 0.000 1.032 183 V CB -0.920 30.980 31.823 0.128 0.000 0.645 183 V HN 0.567 nan 8.190 nan 0.000 0.447 184 F N 1.386 121.381 119.950 0.074 0.000 2.120 184 F HA -0.230 4.293 4.527 -0.006 0.000 0.300 184 F C 2.299 178.113 175.800 0.023 0.000 1.095 184 F CA 2.206 60.280 58.000 0.124 0.000 1.249 184 F CB -0.292 38.760 39.000 0.087 0.000 0.995 184 F HN 0.257 nan 8.300 nan 0.000 0.480 185 E N -1.049 119.057 120.200 -0.158 0.000 2.482 185 E HA -0.077 4.269 4.350 -0.006 0.000 0.196 185 E C 1.708 178.091 176.600 -0.360 0.000 1.047 185 E CA 1.054 57.277 56.400 -0.296 0.000 0.869 185 E CB -0.034 29.555 29.700 -0.184 0.000 0.836 185 E HN 0.427 nan 8.360 nan 0.000 0.520 186 T N -0.471 113.837 114.554 -0.410 0.000 3.021 186 T HA 0.038 4.384 4.350 -0.006 0.000 0.245 186 T C -0.378 173.836 174.700 -0.810 0.000 1.028 186 T CA 0.452 62.115 62.100 -0.729 0.000 1.139 186 T CB 0.159 68.481 68.868 -0.909 0.000 0.884 186 T HN 0.162 nan 8.240 nan 0.000 0.457 187 W N -0.077 121.186 121.300 -0.062 0.000 3.363 187 W HA 0.608 5.264 4.660 -0.006 0.000 0.306 187 W C 0.215 176.690 176.519 -0.073 0.000 1.253 187 W CA -1.078 56.239 57.345 -0.048 0.000 1.195 187 W CB 1.119 30.622 29.460 0.071 0.000 1.366 187 W HN -0.381 nan 8.180 nan 0.000 0.551 188 K N 1.011 121.450 120.400 0.065 0.000 2.137 188 K HA 0.354 4.670 4.320 -0.006 0.000 0.202 188 K C 0.871 177.531 176.600 0.099 0.000 1.052 188 K CA 1.174 57.479 56.287 0.030 0.000 0.961 188 K CB 0.242 32.716 32.500 -0.044 0.000 0.741 188 K HN 0.598 nan 8.250 nan 0.000 0.452 189 G N -0.673 108.050 108.800 -0.129 0.000 2.727 189 G HA2 0.184 4.140 3.960 -0.006 0.000 0.289 189 G HA3 0.184 4.140 3.960 -0.006 0.000 0.289 189 G C -2.534 171.931 174.900 -0.724 0.000 1.418 189 G CA -0.996 43.722 45.100 -0.637 0.000 0.818 189 G HN -0.270 nan 8.290 nan 0.000 0.486 190 P HA -0.165 nan 4.420 nan 0.000 0.218 190 P C 1.375 178.581 177.300 -0.157 0.000 1.148 190 P CA 1.159 63.933 63.100 -0.544 0.000 0.822 190 P CB 0.377 31.813 31.700 -0.441 0.000 0.784 191 Q N 0.975 120.755 119.800 -0.032 0.000 2.061 191 Q HA -0.136 4.200 4.340 -0.006 0.000 0.204 191 Q C 2.274 178.255 176.000 -0.031 0.000 0.984 191 Q CA 2.408 58.245 55.803 0.056 0.000 0.846 191 Q CB -1.364 27.355 28.738 -0.033 0.000 0.902 191 Q HN 0.195 nan 8.270 nan 0.000 0.421 192 A N 0.073 122.858 122.820 -0.058 0.000 1.969 192 A HA -0.093 4.223 4.320 -0.006 0.000 0.218 192 A C 2.127 179.680 177.584 -0.051 0.000 1.169 192 A CA 1.173 53.215 52.037 0.008 0.000 0.635 192 A CB -0.752 18.305 19.000 0.096 0.000 0.810 192 A HN 0.505 nan 8.150 nan 0.000 0.445 193 L N -0.831 120.242 121.223 -0.250 0.000 2.083 193 L HA -0.109 4.228 4.340 -0.006 0.000 0.209 193 L C 2.480 179.121 176.870 -0.382 0.000 1.083 193 L CA 1.193 55.649 54.840 -0.639 0.000 0.752 193 L CB -0.168 41.539 42.059 -0.586 0.000 0.899 193 L HN 0.473 nan 8.230 nan 0.000 0.433 194 L N -0.329 120.784 121.223 -0.183 0.000 2.005 194 L HA -0.240 4.097 4.340 -0.006 0.000 0.207 194 L C 2.699 179.516 176.870 -0.089 0.000 1.072 194 L CA 1.197 55.973 54.840 -0.106 0.000 0.744 194 L CB -0.345 41.716 42.059 0.003 0.000 0.895 194 L HN 0.268 nan 8.230 nan 0.000 0.433 195 R N -0.297 120.168 120.500 -0.059 0.000 2.371 195 R HA -0.220 4.116 4.340 -0.006 0.000 0.226 195 R C 0.940 177.227 176.300 -0.022 0.000 1.132 195 R CA 1.663 57.739 56.100 -0.040 0.000 1.027 195 R CB -0.057 30.232 30.300 -0.018 0.000 0.848 195 R HN 0.435 nan 8.270 nan 0.000 0.479 196 D N -0.928 119.459 120.400 -0.021 0.000 2.380 196 D HA 0.036 4.673 4.640 -0.006 0.000 0.212 196 D C 1.290 177.613 176.300 0.038 0.000 1.021 196 D CA 0.577 54.614 54.000 0.062 0.000 0.884 196 D CB 0.449 41.376 40.800 0.212 0.000 1.001 196 D HN 0.445 nan 8.370 nan 0.000 0.506 197 I N -2.918 117.622 120.570 -0.050 0.000 4.081 197 I HA 0.337 4.504 4.170 -0.006 0.000 0.333 197 I C 1.229 177.273 176.117 -0.123 0.000 1.413 197 I CA -0.113 61.190 61.300 0.005 0.000 1.110 197 I CB 0.279 38.270 38.000 -0.014 0.000 1.082 197 I HN -0.253 nan 8.210 nan 0.000 0.402 198 N N 2.624 121.221 118.700 -0.172 0.000 2.104 198 N HA -0.176 4.561 4.740 -0.006 0.000 0.190 198 N C 1.912 177.268 175.510 -0.255 0.000 1.024 198 N CA 1.899 54.848 53.050 -0.168 0.000 0.853 198 N CB -0.055 38.358 38.487 -0.123 0.000 1.008 198 N HN 0.359 nan 8.380 nan 0.000 0.424 199 R N -0.892 119.330 120.500 -0.462 0.000 2.094 199 R HA -0.160 4.176 4.340 -0.006 0.000 0.239 199 R C 0.714 176.720 176.300 -0.491 0.000 1.137 199 R CA 1.450 57.212 56.100 -0.565 0.000 0.943 199 R CB -0.801 28.946 30.300 -0.922 0.000 0.850 199 R HN 0.351 nan 8.270 nan 0.000 0.433 200 Y N -0.119 120.111 120.300 -0.116 0.000 2.188 200 Y HA 0.077 4.623 4.550 -0.006 0.000 0.360 200 Y C 1.759 177.615 175.900 -0.074 0.000 1.324 200 Y CA -0.427 57.615 58.100 -0.097 0.000 1.726 200 Y CB 0.268 38.676 38.460 -0.087 0.000 1.536 200 Y HN -0.076 nan 8.280 nan 0.000 0.628 201 L N -2.753 118.522 121.223 0.088 0.000 4.342 201 L HA -0.291 4.045 4.340 -0.006 0.000 0.395 201 L C -0.515 176.359 176.870 0.006 0.000 0.764 201 L CA 0.786 55.633 54.840 0.011 0.000 2.417 201 L CB -0.925 41.116 42.059 -0.030 0.000 1.210 201 L HN 0.686 nan 8.230 nan 0.000 0.626 202 Q N 0.075 119.881 119.800 0.010 0.000 2.333 202 Q HA 0.552 4.889 4.340 -0.006 0.000 0.267 202 Q C 0.719 176.738 176.000 0.032 0.000 1.012 202 Q CA 0.199 56.008 55.803 0.011 0.000 0.824 202 Q CB 2.212 30.943 28.738 -0.011 0.000 1.290 202 Q HN 0.226 nan 8.270 nan 0.000 0.449 203 G N 2.314 111.139 108.800 0.042 0.000 2.645 203 G HA2 -0.277 3.679 3.960 -0.006 0.000 0.239 203 G HA3 -0.277 3.679 3.960 -0.006 0.000 0.239 203 G C -0.524 174.411 174.900 0.058 0.000 1.331 203 G CA -0.658 44.474 45.100 0.054 0.000 0.890 203 G HN 0.666 nan 8.290 nan 0.000 0.572 204 E N 1.151 121.392 120.200 0.068 0.000 2.406 204 E HA 0.387 4.733 4.350 -0.006 0.000 0.258 204 E C 1.079 177.728 176.600 0.081 0.000 1.043 204 E CA 0.387 56.829 56.400 0.070 0.000 0.929 204 E CB 0.518 30.265 29.700 0.078 0.000 0.969 204 E HN 1.003 nan 8.360 nan 0.000 0.462 205 A N 6.716 129.571 122.820 0.058 0.000 2.567 205 A HA 0.099 4.415 4.320 -0.006 0.000 0.240 205 A C -1.750 175.863 177.584 0.049 0.000 1.053 205 A CA -0.902 51.165 52.037 0.050 0.000 0.755 205 A CB -0.222 18.789 19.000 0.019 0.000 0.978 205 A HN 0.395 nan 8.150 nan 0.000 0.507 206 P HA 0.273 nan 4.420 nan 0.000 0.276 206 P C -0.538 176.736 177.300 -0.043 0.000 1.244 206 P CA -0.336 62.789 63.100 0.041 0.000 0.801 206 P CB 0.821 32.600 31.700 0.132 0.000 1.006 207 V N 3.377 123.245 119.914 -0.077 0.000 2.508 207 V HA 0.092 4.209 4.120 -0.006 0.000 0.281 207 V C 0.942 176.965 176.094 -0.118 0.000 1.041 207 V CA -0.181 62.069 62.300 -0.084 0.000 1.016 207 V CB 0.039 31.811 31.823 -0.084 0.000 0.984 207 V HN 0.350 nan 8.190 nan 0.000 0.478 208 I N 5.590 126.109 120.570 -0.084 0.000 2.308 208 I HA 0.215 4.381 4.170 -0.006 0.000 0.293 208 I C 0.733 176.818 176.117 -0.052 0.000 1.078 208 I CA -0.259 60.993 61.300 -0.081 0.000 1.292 208 I CB 0.473 38.440 38.000 -0.056 0.000 1.423 208 I HN 0.649 nan 8.210 nan 0.000 0.493 209 K N 7.094 127.459 120.400 -0.058 0.000 2.447 209 K HA 0.214 4.530 4.320 -0.006 0.000 0.281 209 K C 0.641 177.249 176.600 0.012 0.000 1.031 209 K CA 0.330 56.611 56.287 -0.009 0.000 1.019 209 K CB 0.406 32.927 32.500 0.034 0.000 0.918 209 K HN 0.830 nan 8.250 nan 0.000 0.476 210 A N 3.294 126.126 122.820 0.019 0.000 2.578 210 A HA -0.094 4.222 4.320 -0.006 0.000 0.298 210 A C -2.078 175.520 177.584 0.023 0.000 1.472 210 A CA 0.265 52.316 52.037 0.024 0.000 0.734 210 A CB -1.877 17.143 19.000 0.033 0.000 1.091 210 A HN 0.770 nan 8.150 nan 0.000 0.426 211 P HA 0.459 nan 4.420 nan 0.000 0.274 211 P C -2.547 174.771 177.300 0.030 0.000 1.237 211 P CA -1.210 61.902 63.100 0.019 0.000 0.793 211 P CB -0.106 31.600 31.700 0.010 0.000 0.977 212 P HA 0.274 nan 4.420 nan 0.000 0.275 212 P C -2.310 175.016 177.300 0.043 0.000 1.228 212 P CA -1.151 61.978 63.100 0.048 0.000 0.786 212 P CB -1.237 30.503 31.700 0.066 0.000 0.927 213 P HA -0.103 nan 4.420 nan 0.000 0.259 213 P C 0.112 177.435 177.300 0.040 0.000 1.163 213 P CA 0.667 63.789 63.100 0.036 0.000 0.760 213 P CB 0.072 31.794 31.700 0.036 0.000 0.762 214 D N 2.017 122.437 120.400 0.034 0.000 2.423 214 D HA -0.153 4.483 4.640 -0.006 0.000 0.248 214 D C 0.705 177.028 176.300 0.039 0.000 1.145 214 D CA 1.317 55.338 54.000 0.035 0.000 1.002 214 D CB -0.424 40.393 40.800 0.027 0.000 0.883 214 D HN 0.536 nan 8.370 nan 0.000 0.513 215 D N -3.069 117.358 120.400 0.044 0.000 2.411 215 D HA -0.043 4.593 4.640 -0.006 0.000 0.374 215 D C -0.133 176.198 176.300 0.052 0.000 1.187 215 D CA -0.426 53.601 54.000 0.045 0.000 0.928 215 D CB -0.531 40.290 40.800 0.035 0.000 1.402 215 D HN -0.027 nan 8.370 nan 0.000 0.478 216 E N 1.708 121.943 120.200 0.057 0.000 2.585 216 E HA 0.099 4.445 4.350 -0.006 0.000 0.252 216 E C 0.115 176.762 176.600 0.078 0.000 0.981 216 E CA 0.713 57.152 56.400 0.065 0.000 0.943 216 E CB 0.617 30.360 29.700 0.072 0.000 0.923 216 E HN 0.455 nan 8.360 nan 0.000 0.486 217 T N 0.725 115.321 114.554 0.070 0.000 2.918 217 T HA 0.161 4.507 4.350 -0.006 0.000 0.283 217 T C 1.398 176.156 174.700 0.096 0.000 1.001 217 T CA -0.879 61.263 62.100 0.070 0.000 1.041 217 T CB 1.000 69.892 68.868 0.039 0.000 1.028 217 T HN 0.505 nan 8.240 nan 0.000 0.511 218 L N 1.199 122.482 121.223 0.100 0.000 2.081 218 L HA -0.138 4.198 4.340 -0.006 0.000 0.212 218 L C 2.873 179.844 176.870 0.170 0.000 1.080 218 L CA 2.092 57.015 54.840 0.138 0.000 0.754 218 L CB -1.057 41.063 42.059 0.101 0.000 0.893 218 L HN 1.012 nan 8.230 nan 0.000 0.433 219 A N -0.975 121.906 122.820 0.102 0.000 1.858 219 A HA -0.216 4.100 4.320 -0.006 0.000 0.216 219 A C 2.342 180.002 177.584 0.127 0.000 1.190 219 A CA 1.950 54.037 52.037 0.084 0.000 0.617 219 A CB -0.802 18.207 19.000 0.015 0.000 0.827 219 A HN 0.486 nan 8.150 nan 0.000 0.443 220 S N -0.563 115.195 115.700 0.096 0.000 2.456 220 S HA -0.298 4.169 4.470 -0.006 0.000 0.232 220 S C 2.098 176.768 174.600 0.117 0.000 1.046 220 S CA 2.075 60.327 58.200 0.088 0.000 1.175 220 S CB -0.497 62.745 63.200 0.070 0.000 1.129 220 S HN 0.630 nan 8.310 nan 0.000 0.420 221 R N 1.050 121.628 120.500 0.131 0.000 2.133 221 R HA -0.210 4.126 4.340 -0.006 0.000 0.245 221 R C 2.252 178.645 176.300 0.156 0.000 1.137 221 R CA 2.296 58.473 56.100 0.128 0.000 0.947 221 R CB -1.231 29.166 30.300 0.162 0.000 0.865 221 R HN 0.617 nan 8.270 nan 0.000 0.437 222 H N 0.003 119.180 119.070 0.178 0.000 2.321 222 H HA -0.162 4.390 4.556 -0.006 0.000 0.295 222 H C 1.587 176.938 175.328 0.039 0.000 1.102 222 H CA 2.277 58.486 56.048 0.267 0.000 1.266 222 H CB -0.566 29.402 29.762 0.343 0.000 1.363 222 H HN 0.348 nan 8.280 nan 0.000 0.492 223 A N 1.049 124.044 122.820 0.292 0.000 1.834 223 A HA -0.260 4.056 4.320 -0.006 0.000 0.216 223 A C 2.492 180.096 177.584 0.034 0.000 1.203 223 A CA 2.195 54.325 52.037 0.156 0.000 0.621 223 A CB -1.014 18.036 19.000 0.084 0.000 0.841 223 A HN 0.655 nan 8.150 nan 0.000 0.446 224 Q N -0.788 119.015 119.800 0.004 0.000 2.156 224 Q HA -0.234 4.102 4.340 -0.006 0.000 0.211 224 Q C 2.089 178.007 176.000 -0.136 0.000 0.995 224 Q CA 1.774 57.550 55.803 -0.045 0.000 0.877 224 Q CB -0.522 28.199 28.738 -0.028 0.000 0.920 224 Q HN 0.689 nan 8.270 nan 0.000 0.416 225 I N -0.172 120.240 120.570 -0.264 0.000 2.133 225 I HA -0.203 3.963 4.170 -0.006 0.000 0.238 225 I C 2.399 178.212 176.117 -0.506 0.000 1.074 225 I CA 1.008 61.989 61.300 -0.532 0.000 1.342 225 I CB -1.405 35.927 38.000 -1.112 0.000 1.053 225 I HN 0.067 nan 8.210 nan 0.000 0.404 226 V N 1.603 121.217 119.914 -0.501 0.000 2.324 226 V HA -0.317 3.799 4.120 -0.006 0.000 0.250 226 V C 2.864 178.905 176.094 -0.089 0.000 1.060 226 V CA 2.054 64.213 62.300 -0.236 0.000 1.042 226 V CB -1.074 30.774 31.823 0.041 0.000 0.650 226 V HN 0.504 nan 8.190 nan 0.000 0.450 227 A N -0.359 122.424 122.820 -0.062 0.000 1.858 227 A HA -0.262 4.054 4.320 -0.006 0.000 0.216 227 A C 2.417 179.984 177.584 -0.028 0.000 1.190 227 A CA 1.996 54.021 52.037 -0.021 0.000 0.617 227 A CB -0.623 18.370 19.000 -0.011 0.000 0.827 227 A HN 0.462 nan 8.150 nan 0.000 0.443 228 R N -0.403 120.058 120.500 -0.065 0.000 2.152 228 R HA -0.087 4.249 4.340 -0.006 0.000 0.232 228 R C 1.742 178.027 176.300 -0.025 0.000 1.117 228 R CA 1.478 57.549 56.100 -0.049 0.000 0.981 228 R CB -0.348 29.903 30.300 -0.081 0.000 0.870 228 R HN 0.626 nan 8.270 nan 0.000 0.451 229 I N -0.070 120.472 120.570 -0.046 0.000 2.270 229 I HA -0.208 3.959 4.170 -0.006 0.000 0.239 229 I C 2.298 178.472 176.117 0.095 0.000 1.080 229 I CA 1.062 62.377 61.300 0.025 0.000 1.383 229 I CB -0.502 37.482 38.000 -0.026 0.000 1.097 229 I HN 0.145 nan 8.210 nan 0.000 0.420 230 D N 0.907 121.351 120.400 0.073 0.000 2.221 230 D HA -0.202 4.434 4.640 -0.006 0.000 0.204 230 D C 2.085 178.435 176.300 0.082 0.000 0.982 230 D CA 2.064 56.121 54.000 0.095 0.000 0.857 230 D CB 0.186 41.033 40.800 0.078 0.000 0.934 230 D HN 0.418 nan 8.370 nan 0.000 0.475 231 T N -2.139 112.452 114.554 0.061 0.000 2.951 231 T HA -0.051 4.296 4.350 -0.006 0.000 0.268 231 T C 2.053 176.794 174.700 0.068 0.000 1.073 231 T CA 0.741 62.875 62.100 0.056 0.000 1.134 231 T CB -0.232 68.660 68.868 0.041 0.000 0.884 231 T HN -0.044 nan 8.240 nan 0.000 0.479 232 V N 0.896 120.856 119.914 0.077 0.000 3.406 232 V HA 0.154 4.270 4.120 -0.006 0.000 0.263 232 V C 2.470 178.607 176.094 0.071 0.000 1.172 232 V CA 0.755 63.103 62.300 0.081 0.000 1.140 232 V CB -0.436 31.431 31.823 0.074 0.000 0.784 232 V HN 0.462 nan 8.190 nan 0.000 0.467 233 K N -0.326 120.124 120.400 0.084 0.000 2.365 233 K HA -0.094 4.222 4.320 -0.006 0.000 0.199 233 K C 2.114 178.777 176.600 0.105 0.000 1.045 233 K CA 0.811 57.139 56.287 0.069 0.000 0.962 233 K CB 0.070 32.654 32.500 0.141 0.000 0.759 233 K HN 0.507 nan 8.250 nan 0.000 0.469 234 Q N 0.383 120.242 119.800 0.099 0.000 2.107 234 Q HA -0.039 4.297 4.340 -0.006 0.000 0.195 234 Q C 1.158 177.213 176.000 0.091 0.000 0.964 234 Q CA 0.733 56.587 55.803 0.086 0.000 0.833 234 Q CB 0.347 29.124 28.738 0.064 0.000 0.910 234 Q HN 0.297 nan 8.270 nan 0.000 0.465 235 Q N -1.198 118.663 119.800 0.102 0.000 2.518 235 Q HA -0.150 4.186 4.340 -0.006 0.000 0.217 235 Q C 0.412 176.516 176.000 0.173 0.000 0.974 235 Q CA 0.537 56.404 55.803 0.107 0.000 0.971 235 Q CB 0.082 28.889 28.738 0.114 0.000 0.988 235 Q HN 0.408 nan 8.270 nan 0.000 0.536 236 W N -1.439 119.841 121.300 -0.033 0.000 3.900 236 W HA 0.211 4.867 4.660 -0.006 0.000 0.186 236 W C 1.593 178.083 176.519 -0.048 0.000 1.082 236 W CA -0.214 57.101 57.345 -0.050 0.000 1.537 236 W CB 0.616 29.987 29.460 -0.147 0.000 0.639 236 W HN -0.155 nan 8.180 nan 0.000 0.912 237 R N 0.263 120.873 120.500 0.184 0.000 2.096 237 R HA -0.064 4.272 4.340 -0.006 0.000 0.235 237 R C -0.337 175.950 176.300 -0.021 0.000 1.127 237 R CA 1.410 57.572 56.100 0.102 0.000 0.968 237 R CB -0.168 30.194 30.300 0.103 0.000 0.861 237 R HN -0.029 nan 8.270 nan 0.000 0.440 238 D N -1.187 119.196 120.400 -0.027 0.000 2.683 238 D HA 0.294 4.931 4.640 -0.006 0.000 0.309 238 D C -0.382 175.859 176.300 -0.099 0.000 1.238 238 D CA 0.099 54.064 54.000 -0.059 0.000 0.936 238 D CB 1.654 42.440 40.800 -0.023 0.000 1.001 238 D HN 0.222 nan 8.370 nan 0.000 0.505 239 A N 0.008 122.716 122.820 -0.187 0.000 2.408 239 A HA 0.016 4.333 4.320 -0.006 0.000 0.195 239 A C 0.375 177.735 177.584 -0.374 0.000 2.215 239 A CA -0.141 51.755 52.037 -0.235 0.000 1.224 239 A CB 0.272 19.153 19.000 -0.198 0.000 0.924 239 A HN 0.169 nan 8.150 nan 0.000 0.450 240 V N 1.356 121.020 119.914 -0.417 0.000 2.525 240 V HA 0.490 4.607 4.120 -0.006 0.000 0.326 240 V C 1.252 177.191 176.094 -0.257 0.000 1.477 240 V CA 1.144 63.149 62.300 -0.491 0.000 1.579 240 V CB 0.132 31.578 31.823 -0.628 0.000 1.489 240 V HN 0.678 nan 8.190 nan 0.000 0.541 241 G N 0.279 108.956 108.800 -0.204 0.000 3.581 241 G HA2 0.079 4.035 3.960 -0.006 0.000 0.248 241 G HA3 0.079 4.035 3.960 -0.006 0.000 0.248 241 G C 0.325 175.153 174.900 -0.120 0.000 1.037 241 G CA -0.060 44.962 45.100 -0.130 0.000 0.902 241 G HN 0.410 nan 8.290 nan 0.000 0.512 242 E N 1.557 121.663 120.200 -0.156 0.000 2.115 242 E HA 0.414 4.760 4.350 -0.006 0.000 0.282 242 E C -0.802 175.734 176.600 -0.107 0.000 0.987 242 E CA -0.489 55.829 56.400 -0.137 0.000 0.797 242 E CB 0.900 30.493 29.700 -0.178 0.000 1.086 242 E HN 0.171 nan 8.360 nan 0.000 0.397 243 L N 4.731 125.913 121.223 -0.068 0.000 2.913 243 L HA 0.258 4.594 4.340 -0.006 0.000 0.283 243 L C 0.812 177.666 176.870 -0.027 0.000 1.336 243 L CA -0.633 54.190 54.840 -0.029 0.000 0.815 243 L CB 0.553 42.603 42.059 -0.015 0.000 1.188 243 L HN 0.449 nan 8.230 nan 0.000 0.551 244 D N 1.398 121.766 120.400 -0.052 0.000 1.944 244 D HA 0.187 4.824 4.640 -0.006 0.000 0.232 244 D C 0.367 176.652 176.300 -0.025 0.000 1.304 244 D CA 1.264 55.234 54.000 -0.049 0.000 0.937 244 D CB 0.756 41.502 40.800 -0.090 0.000 1.543 244 D HN 0.417 nan 8.370 nan 0.000 0.553 245 A N -1.601 121.215 122.820 -0.007 0.000 2.588 245 A HA 0.548 4.865 4.320 -0.006 0.000 0.309 245 A C -0.695 176.930 177.584 0.067 0.000 1.173 245 A CA 0.164 52.211 52.037 0.016 0.000 0.631 245 A CB 0.212 19.222 19.000 0.017 0.000 1.364 245 A HN 0.884 nan 8.150 nan 0.000 0.526 249 S N 0.269 115.981 115.700 0.020 0.000 2.321 249 S HA -0.094 4.372 4.470 -0.006 0.000 0.188 249 S C 1.742 176.350 174.600 0.014 0.000 1.080 249 S CA 2.197 60.407 58.200 0.015 0.000 1.198 249 S CB -0.832 62.376 63.200 0.013 0.000 0.926 249 S HN 0.615 nan 8.310 nan 0.000 0.426 250 S N 0.978 116.687 115.700 0.014 0.000 2.504 250 S HA 0.030 4.497 4.470 -0.006 0.000 0.257 250 S C 1.068 175.674 174.600 0.011 0.000 0.986 250 S CA 0.972 59.179 58.200 0.011 0.000 0.965 250 S CB -1.625 61.582 63.200 0.012 0.000 0.744 250 S HN 0.908 nan 8.310 nan 0.000 0.523 251 G N 1.575 110.388 108.800 0.022 0.000 3.064 251 G HA2 0.462 4.418 3.960 -0.006 0.000 0.286 251 G HA3 0.462 4.418 3.960 -0.006 0.000 0.286 251 G C -0.041 174.862 174.900 0.007 0.000 0.834 251 G CA -0.717 44.402 45.100 0.031 0.000 1.856 251 G HN 0.641 nan 8.290 nan 0.000 0.559 252 I N 0.521 121.074 120.570 -0.028 0.000 3.185 252 I HA -0.148 4.019 4.170 -0.006 0.000 0.300 252 I C 0.852 176.914 176.117 -0.092 0.000 1.245 252 I CA 0.192 61.452 61.300 -0.066 0.000 1.413 252 I CB 0.829 38.768 38.000 -0.102 0.000 1.324 252 I HN 0.344 nan 8.210 nan 0.000 0.588 253 D N 4.893 125.228 120.400 -0.108 0.000 2.378 253 D HA -0.063 4.573 4.640 -0.006 0.000 0.227 253 D C 0.801 176.950 176.300 -0.250 0.000 1.012 253 D CA 0.631 54.563 54.000 -0.112 0.000 0.905 253 D CB 0.039 40.794 40.800 -0.076 0.000 0.895 253 D HN 0.399 nan 8.370 nan 0.000 0.532 254 R N 0.482 120.734 120.500 -0.413 0.000 2.788 254 R HA 0.120 4.456 4.340 -0.006 0.000 0.264 254 R C 1.443 177.403 176.300 -0.566 0.000 1.267 254 R CA -0.085 55.434 56.100 -0.969 0.000 1.213 254 R CB -0.199 29.493 30.300 -1.012 0.000 1.256 254 R HN 0.155 nan 8.270 nan 0.000 0.556 255 R N 0.339 120.689 120.500 -0.250 0.000 2.280 255 R HA 0.079 4.415 4.340 -0.006 0.000 0.195 255 R C 1.042 177.314 176.300 -0.046 0.000 0.935 255 R CA 0.435 56.469 56.100 -0.110 0.000 1.033 255 R CB 0.382 30.678 30.300 -0.006 0.000 0.964 255 R HN -0.000 nan 8.270 nan 0.000 0.489 256 K N -0.607 119.788 120.400 -0.007 0.000 2.365 256 K HA -0.008 4.309 4.320 -0.006 0.000 0.199 256 K C 1.202 177.974 176.600 0.287 0.000 1.045 256 K CA 0.900 57.263 56.287 0.128 0.000 0.962 256 K CB 0.137 32.714 32.500 0.128 0.000 0.759 256 K HN 0.173 nan 8.250 nan 0.000 0.469 257 F N 0.974 120.922 119.950 -0.003 0.000 2.128 257 F HA -0.150 4.373 4.527 -0.006 0.000 0.295 257 F C 1.810 177.592 175.800 -0.031 0.000 1.100 257 F CA 0.280 58.276 58.000 -0.006 0.000 1.260 257 F CB -0.172 38.822 39.000 -0.009 0.000 1.009 257 F HN 0.050 nan 8.300 nan 0.000 0.476 258 N N 0.579 119.350 118.700 0.118 0.000 2.018 258 N HA -0.169 4.567 4.740 -0.006 0.000 0.196 258 N C 1.506 176.982 175.510 -0.058 0.000 1.043 258 N CA 1.242 54.257 53.050 -0.057 0.000 0.856 258 N CB -0.424 37.901 38.487 -0.270 0.000 1.042 258 N HN 0.080 nan 8.380 nan 0.000 0.423 259 R N 0.404 120.883 120.500 -0.036 0.000 2.446 259 R HA -0.237 4.099 4.340 -0.006 0.000 0.206 259 R C 2.309 178.773 176.300 0.274 0.000 1.011 259 R CA 2.248 58.449 56.100 0.169 0.000 0.780 259 R CB -1.262 29.161 30.300 0.204 0.000 0.782 259 R HN 0.443 nan 8.270 nan 0.000 0.428 260 S N 1.136 116.987 115.700 0.251 0.000 2.432 260 S HA -0.240 4.227 4.470 -0.006 0.000 0.243 260 S C 1.457 176.142 174.600 0.141 0.000 1.069 260 S CA 1.856 60.193 58.200 0.228 0.000 1.047 260 S CB -0.825 62.466 63.200 0.151 0.000 0.854 260 S HN 0.353 nan 8.310 nan 0.000 0.474 261 N N 1.386 120.132 118.700 0.077 0.000 2.696 261 N HA -0.068 4.669 4.740 -0.006 0.000 0.196 261 N C 1.016 176.532 175.510 0.011 0.000 1.220 261 N CA 1.105 54.179 53.050 0.040 0.000 0.940 261 N CB -0.055 38.451 38.487 0.031 0.000 0.999 261 N HN 0.706 nan 8.380 nan 0.000 0.447 262 Q N -1.617 118.081 119.800 -0.171 0.000 2.210 262 Q HA 0.316 4.652 4.340 -0.006 0.000 0.252 262 Q C 1.691 177.443 176.000 -0.414 0.000 0.811 262 Q CA 0.049 55.567 55.803 -0.474 0.000 0.953 262 Q CB 0.251 28.120 28.738 -1.448 0.000 1.136 262 Q HN 0.173 nan 8.270 nan 0.000 0.491 263 A N 1.427 124.234 122.820 -0.021 0.000 1.969 263 A HA -0.129 4.187 4.320 -0.006 0.000 0.218 263 A C 1.556 179.250 177.584 0.184 0.000 1.169 263 A CA 1.228 53.464 52.037 0.331 0.000 0.635 263 A CB -0.097 19.166 19.000 0.438 0.000 0.810 263 A HN 0.116 nan 8.150 nan 0.000 0.445 264 K N -1.181 119.308 120.400 0.148 0.000 2.417 264 K HA 0.005 4.321 4.320 -0.006 0.000 0.196 264 K C 1.073 177.786 176.600 0.188 0.000 1.023 264 K CA -0.029 56.343 56.287 0.142 0.000 1.122 264 K CB 0.099 32.661 32.500 0.104 0.000 0.850 264 K HN 0.788 nan 8.250 nan 0.000 0.521 265 W N 1.726 123.005 121.300 -0.036 0.000 3.256 265 W HA 0.061 4.718 4.660 -0.006 0.000 0.269 265 W C -0.316 176.192 176.519 -0.018 0.000 1.310 265 W CA -0.038 57.272 57.345 -0.059 0.000 1.673 265 W CB 0.210 29.579 29.460 -0.151 0.000 1.115 265 W HN -0.189 nan 8.180 nan 0.000 0.686 266 I N 3.547 124.322 120.570 0.341 0.000 2.293 266 I HA 0.060 4.226 4.170 -0.006 0.000 0.280 266 I C -0.214 176.010 176.117 0.178 0.000 1.075 266 I CA -0.252 61.207 61.300 0.265 0.000 1.702 266 I CB -1.658 36.453 38.000 0.185 0.000 1.477 266 I HN -0.280 nan 8.210 nan 0.000 0.733 267 D N 2.111 122.606 120.400 0.158 0.000 2.466 267 D HA 0.128 4.764 4.640 -0.006 0.000 0.262 267 D C 1.010 177.372 176.300 0.104 0.000 1.177 267 D CA -0.477 53.584 54.000 0.103 0.000 1.035 267 D CB 0.942 41.783 40.800 0.068 0.000 1.105 267 D HN -0.118 nan 8.370 nan 0.000 0.551 268 K N 0.545 120.995 120.400 0.084 0.000 3.025 268 K HA 0.154 4.470 4.320 -0.006 0.000 0.260 268 K C 0.224 176.886 176.600 0.104 0.000 1.023 268 K CA 0.189 56.528 56.287 0.087 0.000 1.194 268 K CB -1.550 30.991 32.500 0.069 0.000 1.094 268 K HN 0.532 nan 8.250 nan 0.000 0.460 269 I N -2.542 118.095 120.570 0.110 0.000 4.908 269 I HA -0.583 3.583 4.170 -0.006 0.000 0.038 269 I C 0.771 176.962 176.117 0.123 0.000 0.635 269 I CA 1.169 62.544 61.300 0.126 0.000 0.202 269 I CB -1.541 36.562 38.000 0.171 0.000 0.318 269 I HN 0.288 nan 8.210 nan 0.000 0.150 270 S N -0.830 114.986 115.700 0.193 0.000 2.765 270 S HA -0.108 4.359 4.470 -0.006 0.000 0.266 270 S C -0.172 174.474 174.600 0.077 0.000 1.302 270 S CA 1.255 59.546 58.200 0.152 0.000 1.274 270 S CB -1.203 62.046 63.200 0.082 0.000 1.559 270 S HN 1.930 nan 8.310 nan 0.000 0.658 271 A N -0.497 122.401 122.820 0.130 0.000 2.476 271 A HA 0.594 4.910 4.320 -0.006 0.000 0.280 271 A C 0.215 177.944 177.584 0.242 0.000 1.081 271 A CA -0.471 51.603 52.037 0.061 0.000 0.753 271 A CB 0.487 19.472 19.000 -0.025 0.000 1.248 271 A HN 0.451 nan 8.150 nan 0.000 0.424 272 W N 2.389 123.598 121.300 -0.151 0.000 2.387 272 W HA -0.022 4.635 4.660 -0.006 0.000 0.272 272 W C 1.517 177.919 176.519 -0.195 0.000 1.224 272 W CA 0.364 57.612 57.345 -0.161 0.000 1.210 272 W CB 0.255 29.628 29.460 -0.145 0.000 1.125 272 W HN 0.898 nan 8.180 nan 0.000 0.572 273 A N 2.165 125.009 122.820 0.040 0.000 2.548 273 A HA 0.096 4.412 4.320 -0.006 0.000 0.247 273 A C 0.013 177.412 177.584 -0.308 0.000 1.067 273 A CA 0.555 52.524 52.037 -0.113 0.000 0.757 273 A CB -0.194 18.733 19.000 -0.121 0.000 0.996 273 A HN 0.429 nan 8.150 nan 0.000 0.504 274 E N 1.386 121.362 120.200 -0.372 0.000 2.393 274 E HA 0.679 5.026 4.350 -0.006 0.000 0.273 274 E C -0.748 175.591 176.600 -0.435 0.000 0.918 274 E CA -0.968 54.978 56.400 -0.756 0.000 0.773 274 E CB 1.389 30.680 29.700 -0.681 0.000 1.275 274 E HN 0.657 nan 8.360 nan 0.000 0.451 275 E N 0.657 120.617 120.200 -0.400 0.000 2.336 275 E HA 0.173 4.520 4.350 -0.006 0.000 0.267 275 E C -0.793 175.887 176.600 0.134 0.000 0.906 275 E CA -0.798 55.571 56.400 -0.052 0.000 0.781 275 E CB 1.132 30.797 29.700 -0.058 0.000 1.261 275 E HN 0.361 nan 8.360 nan 0.000 0.436 276 E N 1.878 122.112 120.200 0.055 0.000 0.808 276 E HA -0.190 4.157 4.350 -0.006 0.000 0.262 276 E C 0.015 176.637 176.600 0.036 0.000 0.578 276 E CA 1.497 57.922 56.400 0.041 0.000 0.872 276 E CB -0.967 28.742 29.700 0.016 0.000 0.868 276 E HN 0.637 nan 8.360 nan 0.000 0.288 277 T N -2.895 111.687 114.554 0.047 0.000 3.087 277 T HA 0.073 4.420 4.350 -0.006 0.000 0.283 277 T C 1.162 175.870 174.700 0.015 0.000 0.956 277 T CA -0.362 61.742 62.100 0.007 0.000 0.894 277 T CB 0.234 69.088 68.868 -0.024 0.000 1.160 277 T HN 0.040 nan 8.240 nan 0.000 0.532 278 N N 2.498 121.209 118.700 0.019 0.000 2.133 278 N HA -0.146 4.591 4.740 -0.006 0.000 0.193 278 N C 1.779 177.298 175.510 0.016 0.000 1.012 278 N CA 1.824 54.881 53.050 0.012 0.000 0.871 278 N CB -0.299 38.196 38.487 0.014 0.000 1.011 278 N HN 0.552 nan 8.380 nan 0.000 0.435 279 S N -0.146 115.578 115.700 0.039 0.000 2.336 279 S HA -0.100 4.367 4.470 -0.006 0.000 0.214 279 S C 0.833 175.523 174.600 0.150 0.000 1.032 279 S CA 0.645 58.900 58.200 0.091 0.000 1.001 279 S CB -0.561 62.700 63.200 0.103 0.000 0.953 279 S HN 0.317 nan 8.310 nan 0.000 0.430 280 Y N 3.416 123.658 120.300 -0.097 0.000 3.168 280 Y HA 0.155 4.701 4.550 -0.006 0.000 0.373 280 Y C 1.574 177.218 175.900 -0.427 0.000 1.073 280 Y CA -0.719 57.270 58.100 -0.185 0.000 2.070 280 Y CB -1.481 36.962 38.460 -0.029 0.000 2.252 280 Y HN 0.391 nan 8.280 nan 0.000 0.404 281 Q N -0.379 119.236 119.800 -0.308 0.000 2.363 281 Q HA 0.165 4.501 4.340 -0.006 0.000 0.192 281 Q C 1.127 176.751 176.000 -0.627 0.000 0.994 281 Q CA 0.463 56.030 55.803 -0.394 0.000 0.848 281 Q CB 0.733 29.377 28.738 -0.157 0.000 0.987 281 Q HN 0.433 nan 8.270 nan 0.000 0.559 282 L N -2.107 118.946 121.223 -0.284 0.000 1.466 282 L HA -0.086 4.250 4.340 -0.006 0.000 0.451 282 L C -1.803 175.072 176.870 0.009 0.000 0.954 282 L CA 0.686 55.486 54.840 -0.067 0.000 2.422 282 L CB -1.682 40.440 42.059 0.105 0.000 1.472 282 L HN 0.144 nan 8.230 nan 0.000 0.588 283 P HA -0.078 nan 4.420 nan 0.000 0.239 283 P C 0.768 178.074 177.300 0.009 0.000 1.184 283 P CA 1.967 65.076 63.100 0.015 0.000 0.760 283 P CB 0.276 31.981 31.700 0.009 0.000 0.884 284 E N -0.604 119.593 120.200 -0.005 0.000 2.441 284 E HA -0.037 4.309 4.350 -0.006 0.000 0.207 284 E C 1.882 178.486 176.600 0.006 0.000 0.803 284 E CA 0.343 56.744 56.400 0.002 0.000 1.240 284 E CB -0.717 28.982 29.700 -0.002 0.000 1.233 284 E HN -0.008 nan 8.360 nan 0.000 0.590 285 S N 1.089 116.782 115.700 -0.012 0.000 2.420 285 S HA -0.159 4.307 4.470 -0.006 0.000 0.237 285 S C 1.858 176.470 174.600 0.021 0.000 1.023 285 S CA 1.308 59.501 58.200 -0.012 0.000 0.991 285 S CB -0.524 62.635 63.200 -0.068 0.000 0.792 285 S HN 0.329 nan 8.310 nan 0.000 0.488 286 L N 0.687 121.936 121.223 0.044 0.000 2.162 286 L HA 0.164 4.501 4.340 -0.006 0.000 0.205 286 L C 2.831 179.727 176.870 0.043 0.000 1.086 286 L CA 0.877 55.755 54.840 0.063 0.000 0.778 286 L CB -0.392 41.713 42.059 0.076 0.000 0.928 286 L HN 0.163 nan 8.230 nan 0.000 0.446 287 E N 0.738 120.958 120.200 0.032 0.000 2.472 287 E HA -0.026 4.320 4.350 -0.006 0.000 0.200 287 E C 0.170 176.785 176.600 0.025 0.000 1.046 287 E CA 0.724 57.139 56.400 0.026 0.000 0.871 287 E CB 0.191 29.904 29.700 0.021 0.000 0.806 287 E HN 0.432 nan 8.360 nan 0.000 0.533 306 R N 0.094 120.568 120.500 -0.043 0.000 2.444 306 R HA 0.261 4.598 4.340 -0.006 0.000 0.201 306 R C -0.177 176.176 176.300 0.088 0.000 0.861 306 R CA -0.071 56.043 56.100 0.023 0.000 1.034 306 R CB 0.613 30.952 30.300 0.066 0.000 1.347 306 R HN 0.565 nan 8.270 nan 0.000 0.659 307 H N -1.142 117.941 119.070 0.022 0.000 2.850 307 H HA -0.038 4.515 4.556 -0.006 0.000 0.226 307 H C -2.497 172.814 175.328 -0.028 0.000 1.253 307 H CA -0.859 55.191 56.048 0.004 0.000 1.601 307 H CB -0.012 29.790 29.762 0.067 0.000 1.727 307 H HN -0.047 nan 8.280 nan 0.000 0.430 308 P HA -0.141 nan 4.420 nan 0.000 0.289 308 P C 0.218 177.383 177.300 -0.225 0.000 1.743 308 P CA 0.161 63.104 63.100 -0.262 0.000 1.453 308 P CB 0.510 31.869 31.700 -0.569 0.000 0.712 309 L N 0.489 121.543 121.223 -0.281 0.000 2.466 309 L HA 0.316 4.652 4.340 -0.006 0.000 0.248 309 L C 0.784 177.683 176.870 0.049 0.000 1.240 309 L CA 0.225 55.015 54.840 -0.082 0.000 1.180 309 L CB -1.290 40.725 42.059 -0.074 0.000 1.413 309 L HN 0.462 nan 8.230 nan 0.000 0.406 310 F N -1.212 118.755 119.950 0.028 0.000 3.227 310 F HA 0.107 4.630 4.527 -0.006 0.000 0.341 310 F C 0.837 176.667 175.800 0.050 0.000 1.276 310 F CA -0.610 57.421 58.000 0.053 0.000 0.892 310 F CB 0.043 39.086 39.000 0.072 0.000 1.644 310 F HN 0.270 nan 8.300 nan 0.000 0.488 311 E N 1.499 121.989 120.200 0.483 0.000 2.511 311 E HA 0.212 4.558 4.350 -0.006 0.000 0.196 311 E C 1.698 178.369 176.600 0.118 0.000 1.066 311 E CA 0.600 57.132 56.400 0.220 0.000 0.871 311 E CB 0.291 30.122 29.700 0.217 0.000 0.863 311 E HN 0.445 nan 8.360 nan 0.000 0.520 312 A N 1.361 124.260 122.820 0.132 0.000 2.119 312 A HA 0.006 4.322 4.320 -0.006 0.000 0.217 312 A C 2.068 179.688 177.584 0.059 0.000 1.153 312 A CA 0.437 52.526 52.037 0.086 0.000 0.692 312 A CB -0.428 18.627 19.000 0.092 0.000 0.799 312 A HN 0.278 nan 8.150 nan 0.000 0.458 313 I N -0.310 120.287 120.570 0.047 0.000 2.353 313 I HA -0.184 3.982 4.170 -0.006 0.000 0.248 313 I C 2.183 178.302 176.117 0.003 0.000 1.119 313 I CA 1.451 62.758 61.300 0.011 0.000 1.417 313 I CB -0.268 37.704 38.000 -0.047 0.000 1.078 313 I HN 0.301 nan 8.210 nan 0.000 0.421 314 D N 1.076 121.475 120.400 -0.002 0.000 2.190 314 D HA -0.238 4.398 4.640 -0.006 0.000 0.200 314 D C 2.059 178.368 176.300 0.015 0.000 0.992 314 D CA 1.573 55.575 54.000 0.003 0.000 0.854 314 D CB 0.051 40.860 40.800 0.016 0.000 0.936 314 D HN 0.399 nan 8.370 nan 0.000 0.462 315 Q N -0.704 119.110 119.800 0.023 0.000 2.398 315 Q HA 0.100 4.437 4.340 -0.006 0.000 0.204 315 Q C 2.182 178.193 176.000 0.018 0.000 0.932 315 Q CA -0.035 55.781 55.803 0.022 0.000 0.916 315 Q CB 0.574 29.328 28.738 0.027 0.000 1.024 315 Q HN 0.355 nan 8.270 nan 0.000 0.504 316 L N 0.281 121.518 121.223 0.022 0.000 2.127 316 L HA -0.006 4.331 4.340 -0.006 0.000 0.203 316 L C 1.369 178.250 176.870 0.018 0.000 1.080 316 L CA 0.861 55.715 54.840 0.022 0.000 0.768 316 L CB 0.141 42.227 42.059 0.044 0.000 0.924 316 L HN 0.261 nan 8.230 nan 0.000 0.444 317 L N -0.682 120.553 121.223 0.020 0.000 2.715 317 L HA 0.131 4.467 4.340 -0.006 0.000 0.238 317 L C 1.661 178.538 176.870 0.013 0.000 1.212 317 L CA -0.172 54.678 54.840 0.017 0.000 1.017 317 L CB -0.520 41.550 42.059 0.019 0.000 1.269 317 L HN 0.139 nan 8.230 nan 0.000 0.452 318 A N 0.135 122.962 122.820 0.011 0.000 1.919 318 A HA 0.143 4.460 4.320 -0.006 0.000 0.211 318 A C 0.871 178.461 177.584 0.011 0.000 1.310 318 A CA 0.342 52.386 52.037 0.012 0.000 0.651 318 A CB 0.261 19.269 19.000 0.012 0.000 0.996 318 A HN 0.340 nan 8.150 nan 0.000 0.479 319 E N 1.804 122.009 120.200 0.008 0.000 2.145 319 E HA 0.351 4.697 4.350 -0.006 0.000 0.262 319 E C -2.513 174.088 176.600 0.002 0.000 0.883 319 E CA -2.148 54.256 56.400 0.007 0.000 0.748 319 E CB 1.015 30.720 29.700 0.007 0.000 1.140 319 E HN 0.361 nan 8.360 nan 0.000 0.417 320 P HA -0.161 nan 4.420 nan 0.000 0.273 320 P C -0.491 176.808 177.300 -0.001 0.000 1.177 320 P CA 0.562 63.668 63.100 0.009 0.000 0.765 320 P CB 0.748 32.460 31.700 0.021 0.000 0.780 321 L N 1.225 122.451 121.223 0.005 0.000 2.599 321 L HA 0.295 4.631 4.340 -0.006 0.000 0.241 321 L C 0.828 177.796 176.870 0.163 0.000 1.207 321 L CA 0.011 54.837 54.840 -0.024 0.000 0.987 321 L CB 0.548 42.555 42.059 -0.087 0.000 1.318 321 L HN 0.367 nan 8.230 nan 0.000 0.458 322 S N 0.213 116.014 115.700 0.169 0.000 2.715 322 S HA 0.612 5.078 4.470 -0.006 0.000 0.307 322 S C 0.125 174.895 174.600 0.283 0.000 1.119 322 S CA -0.377 57.966 58.200 0.239 0.000 0.937 322 S CB 1.939 65.191 63.200 0.087 0.000 1.150 322 S HN 0.333 nan 8.310 nan 0.000 0.521 323 I N 1.430 122.117 120.570 0.195 0.000 4.403 323 I HA 0.446 4.612 4.170 -0.006 0.000 0.331 323 I C 1.768 177.972 176.117 0.146 0.000 1.327 323 I CA 0.046 61.463 61.300 0.195 0.000 1.175 323 I CB -0.286 37.793 38.000 0.130 0.000 1.165 323 I HN 0.744 nan 8.210 nan 0.000 0.413 324 R N 1.570 122.112 120.500 0.070 0.000 2.171 324 R HA -0.244 4.092 4.340 -0.006 0.000 0.226 324 R C 1.975 178.407 176.300 0.219 0.000 1.113 324 R CA 2.829 58.994 56.100 0.108 0.000 0.887 324 R CB -0.626 29.652 30.300 -0.037 0.000 0.830 324 R HN 0.544 nan 8.270 nan 0.000 0.432 325 D N 0.801 121.292 120.400 0.152 0.000 2.191 325 D HA -0.264 4.372 4.640 -0.006 0.000 0.195 325 D C 1.912 178.298 176.300 0.143 0.000 1.003 325 D CA 1.389 55.472 54.000 0.138 0.000 0.867 325 D CB -0.582 40.275 40.800 0.096 0.000 0.926 325 D HN 0.318 nan 8.370 nan 0.000 0.450 326 L N 1.181 122.497 121.223 0.155 0.000 1.976 326 L HA -0.146 4.190 4.340 -0.006 0.000 0.209 326 L C 2.650 179.635 176.870 0.192 0.000 1.071 326 L CA 1.327 56.261 54.840 0.156 0.000 0.746 326 L CB -0.832 41.324 42.059 0.161 0.000 0.890 326 L HN -0.014 nan 8.230 nan 0.000 0.432 327 V N 0.929 120.997 119.914 0.257 0.000 2.231 327 V HA -0.369 3.747 4.120 -0.006 0.000 0.248 327 V C 2.703 178.946 176.094 0.249 0.000 1.054 327 V CA 2.299 64.797 62.300 0.330 0.000 1.015 327 V CB -0.472 31.628 31.823 0.462 0.000 0.638 327 V HN 0.394 nan 8.190 nan 0.000 0.444 328 I N -0.137 120.583 120.570 0.250 0.000 2.053 328 I HA -0.366 3.800 4.170 -0.006 0.000 0.236 328 I C 2.613 178.740 176.117 0.016 0.000 1.038 328 I CA 2.381 63.752 61.300 0.118 0.000 1.304 328 I CB -1.077 37.036 38.000 0.189 0.000 1.023 328 I HN 0.314 nan 8.210 nan 0.000 0.395 329 T N 0.039 114.622 114.554 0.048 0.000 2.684 329 T HA -0.301 4.046 4.350 -0.006 0.000 0.267 329 T C 2.020 176.712 174.700 -0.014 0.000 1.032 329 T CA 1.865 63.972 62.100 0.013 0.000 1.155 329 T CB -0.294 68.598 68.868 0.041 0.000 0.857 329 T HN 0.152 nan 8.240 nan 0.000 0.457 330 R N 0.744 121.260 120.500 0.027 0.000 2.073 330 R HA 0.261 4.597 4.340 -0.006 0.000 0.229 330 R C 2.417 178.565 176.300 -0.254 0.000 1.120 330 R CA 1.240 57.357 56.100 0.028 0.000 0.967 330 R CB -1.156 29.284 30.300 0.233 0.000 0.862 330 R HN 0.440 nan 8.270 nan 0.000 0.436 331 A N 1.538 124.061 122.820 -0.496 0.000 1.830 331 A HA -0.169 4.148 4.320 -0.006 0.000 0.214 331 A C 2.091 179.269 177.584 -0.677 0.000 1.218 331 A CA 1.874 53.201 52.037 -1.182 0.000 0.628 331 A CB -1.256 17.261 19.000 -0.806 0.000 0.860 331 A HN 0.366 nan 8.150 nan 0.000 0.454 332 L N -2.174 118.830 121.223 -0.364 0.000 2.051 332 L HA -0.206 4.130 4.340 -0.006 0.000 0.214 332 L C 2.555 179.319 176.870 -0.177 0.000 1.076 332 L CA 2.257 56.970 54.840 -0.211 0.000 0.758 332 L CB -1.397 40.612 42.059 -0.084 0.000 0.890 332 L HN 0.364 nan 8.230 nan 0.000 0.433 333 A N 0.675 123.399 122.820 -0.161 0.000 1.865 333 A HA -0.292 4.025 4.320 -0.006 0.000 0.217 333 A C 2.354 179.873 177.584 -0.109 0.000 1.191 333 A CA 2.189 54.165 52.037 -0.101 0.000 0.623 333 A CB -0.735 18.227 19.000 -0.063 0.000 0.826 333 A HN 0.702 nan 8.150 nan 0.000 0.444 334 E N -0.501 119.597 120.200 -0.171 0.000 2.076 334 E HA -0.079 4.267 4.350 -0.006 0.000 0.190 334 E C 1.932 178.444 176.600 -0.148 0.000 0.979 334 E CA 0.760 57.086 56.400 -0.124 0.000 0.807 334 E CB -0.218 29.432 29.700 -0.085 0.000 0.761 334 E HN 0.617 nan 8.360 nan 0.000 0.454 335 I N 0.980 121.387 120.570 -0.272 0.000 2.151 335 I HA -0.331 3.835 4.170 -0.006 0.000 0.243 335 I C 2.761 178.810 176.117 -0.115 0.000 1.080 335 I CA 1.188 62.365 61.300 -0.205 0.000 1.339 335 I CB -0.333 37.503 38.000 -0.273 0.000 1.039 335 I HN 0.143 nan 8.210 nan 0.000 0.409 336 R N 1.021 121.458 120.500 -0.104 0.000 2.113 336 R HA -0.253 4.084 4.340 -0.006 0.000 0.231 336 R C 2.199 178.474 176.300 -0.043 0.000 1.129 336 R CA 2.346 58.410 56.100 -0.059 0.000 0.915 336 R CB -0.826 29.447 30.300 -0.046 0.000 0.837 336 R HN 0.580 nan 8.270 nan 0.000 0.430 337 E N 0.205 120.382 120.200 -0.038 0.000 2.219 337 E HA -0.165 4.181 4.350 -0.006 0.000 0.198 337 E C 1.570 178.159 176.600 -0.019 0.000 0.998 337 E CA 1.808 58.194 56.400 -0.022 0.000 0.818 337 E CB -0.398 29.294 29.700 -0.014 0.000 0.741 337 E HN 0.245 nan 8.360 nan 0.000 0.477 338 T N 0.849 115.388 114.554 -0.025 0.000 2.737 338 T HA -0.104 4.242 4.350 -0.006 0.000 0.265 338 T C 2.078 176.766 174.700 -0.019 0.000 1.038 338 T CA 1.298 63.388 62.100 -0.016 0.000 1.144 338 T CB -0.308 68.550 68.868 -0.017 0.000 0.866 338 T HN 0.050 nan 8.240 nan 0.000 0.434 339 V N 1.713 121.611 119.914 -0.027 0.000 2.343 339 V HA -0.162 3.954 4.120 -0.006 0.000 0.247 339 V C 2.900 178.983 176.094 -0.019 0.000 1.051 339 V CA 1.664 63.951 62.300 -0.023 0.000 1.036 339 V CB -1.268 30.539 31.823 -0.025 0.000 0.654 339 V HN 0.545 nan 8.190 nan 0.000 0.451 340 A N -0.073 122.736 122.820 -0.019 0.000 1.841 340 A HA -0.267 4.049 4.320 -0.006 0.000 0.216 340 A C 2.343 179.917 177.584 -0.017 0.000 1.199 340 A CA 2.124 54.151 52.037 -0.018 0.000 0.621 340 A CB -0.686 18.304 19.000 -0.017 0.000 0.835 340 A HN 0.457 nan 8.150 nan 0.000 0.445 341 R N -0.870 119.622 120.500 -0.013 0.000 2.133 341 R HA -0.262 4.074 4.340 -0.006 0.000 0.245 341 R C 2.258 178.552 176.300 -0.011 0.000 1.137 341 R CA 1.988 58.081 56.100 -0.010 0.000 0.947 341 R CB -0.400 29.897 30.300 -0.005 0.000 0.865 341 R HN 0.665 nan 8.270 nan 0.000 0.437 342 E N 0.982 121.175 120.200 -0.011 0.000 2.160 342 E HA -0.174 4.172 4.350 -0.006 0.000 0.195 342 E C 1.519 178.111 176.600 -0.014 0.000 0.991 342 E CA 1.617 58.010 56.400 -0.010 0.000 0.810 342 E CB 0.057 29.751 29.700 -0.010 0.000 0.742 342 E HN 0.236 nan 8.360 nan 0.000 0.466 343 K N -0.078 120.311 120.400 -0.018 0.000 2.031 343 K HA -0.063 4.253 4.320 -0.006 0.000 0.205 343 K C 2.403 178.987 176.600 -0.027 0.000 1.049 343 K CA 1.216 57.489 56.287 -0.024 0.000 0.939 343 K CB -0.186 32.296 32.500 -0.030 0.000 0.717 343 K HN 0.072 nan 8.250 nan 0.000 0.438 344 R N 0.854 121.339 120.500 -0.025 0.000 2.097 344 R HA -0.145 4.191 4.340 -0.006 0.000 0.236 344 R C 2.529 178.817 176.300 -0.021 0.000 1.135 344 R CA 1.550 57.635 56.100 -0.026 0.000 0.934 344 R CB -0.409 29.878 30.300 -0.022 0.000 0.846 344 R HN 0.159 nan 8.270 nan 0.000 0.431 345 R N 0.820 121.311 120.500 -0.015 0.000 2.115 345 R HA -0.173 4.164 4.340 -0.006 0.000 0.239 345 R C 2.268 178.561 176.300 -0.011 0.000 1.133 345 R CA 1.841 57.935 56.100 -0.011 0.000 0.935 345 R CB -0.139 30.157 30.300 -0.007 0.000 0.853 345 R HN 0.205 nan 8.270 nan 0.000 0.433 346 R N -1.041 119.452 120.500 -0.012 0.000 2.152 346 R HA -0.075 4.262 4.340 -0.006 0.000 0.232 346 R C 1.311 177.601 176.300 -0.017 0.000 1.117 346 R CA 1.080 57.172 56.100 -0.012 0.000 0.981 346 R CB -0.250 30.043 30.300 -0.012 0.000 0.870 346 R HN 0.655 nan 8.270 nan 0.000 0.451 347 G N 1.567 110.353 108.800 -0.023 0.000 2.149 347 G HA2 -0.270 3.686 3.960 -0.006 0.000 0.235 347 G HA3 -0.270 3.686 3.960 -0.006 0.000 0.235 347 G C -0.266 174.610 174.900 -0.040 0.000 1.018 347 G CA 0.304 45.386 45.100 -0.030 0.000 0.728 347 G HN 0.401 nan 8.290 nan 0.000 0.508 348 E N -1.360 118.814 120.200 -0.042 0.000 2.239 348 E HA 0.815 5.162 4.350 -0.006 0.000 0.261 348 E C -0.587 175.967 176.600 -0.076 0.000 1.016 348 E CA -1.018 55.349 56.400 -0.056 0.000 0.882 348 E CB 1.980 31.654 29.700 -0.044 0.000 1.190 348 E HN 0.254 nan 8.360 nan 0.000 0.415 349 L N 0.351 121.509 121.223 -0.108 0.000 2.505 349 L HA 0.529 4.865 4.340 -0.006 0.000 0.266 349 L C -0.463 176.274 176.870 -0.221 0.000 0.954 349 L CA -0.149 54.606 54.840 -0.142 0.000 0.852 349 L CB 1.832 43.800 42.059 -0.151 0.000 1.282 349 L HN 0.610 nan 8.230 nan 0.000 0.403 350 G N 2.168 110.854 108.800 -0.190 0.000 2.557 350 G HA2 0.356 4.312 3.960 -0.006 0.000 0.302 350 G HA3 0.356 4.312 3.960 -0.006 0.000 0.302 350 G C 0.118 174.809 174.900 -0.348 0.000 1.311 350 G CA -0.255 44.702 45.100 -0.238 0.000 1.030 350 G HN 0.552 nan 8.290 nan 0.000 0.509 351 F N -0.597 119.296 119.950 -0.094 0.000 2.187 351 F HA 0.080 4.604 4.527 -0.006 0.000 0.295 351 F C 2.435 178.234 175.800 -0.002 0.000 1.091 351 F CA 0.930 58.838 58.000 -0.153 0.000 1.308 351 F CB -0.049 38.676 39.000 -0.459 0.000 1.030 351 F HN 0.224 nan 8.300 nan 0.000 0.487 352 D N 0.509 121.017 120.400 0.181 0.000 2.133 352 D HA -0.176 4.461 4.640 -0.006 0.000 0.195 352 D C 1.782 178.140 176.300 0.096 0.000 0.997 352 D CA 1.573 55.662 54.000 0.148 0.000 0.840 352 D CB -0.479 40.379 40.800 0.097 0.000 0.947 352 D HN 0.261 nan 8.370 nan 0.000 0.452 353 D N 0.106 120.531 120.400 0.041 0.000 2.084 353 D HA -0.157 4.479 4.640 -0.006 0.000 0.194 353 D C 2.138 178.443 176.300 0.007 0.000 0.990 353 D CA 0.500 54.502 54.000 0.004 0.000 0.826 353 D CB -0.391 40.386 40.800 -0.038 0.000 0.971 353 D HN 0.181 nan 8.370 nan 0.000 0.453 354 M N 0.651 120.248 119.600 -0.004 0.000 2.204 354 M HA -0.254 4.222 4.480 -0.006 0.000 0.255 354 M C 1.968 178.304 176.300 0.061 0.000 1.073 354 M CA 1.813 57.119 55.300 0.010 0.000 1.084 354 M CB -0.195 32.424 32.600 0.031 0.000 1.289 354 M HN 0.138 nan 8.290 nan 0.000 0.419 355 L N -2.326 118.979 121.223 0.137 0.000 2.599 355 L HA 0.206 4.542 4.340 -0.006 0.000 0.230 355 L C 1.904 178.806 176.870 0.054 0.000 1.141 355 L CA 1.148 56.050 54.840 0.103 0.000 0.877 355 L CB -0.772 41.362 42.059 0.126 0.000 1.009 355 L HN 0.213 nan 8.230 nan 0.000 0.447 356 S N -0.151 115.578 115.700 0.048 0.000 2.371 356 S HA 0.033 4.499 4.470 -0.006 0.000 0.219 356 S C 2.109 176.714 174.600 0.008 0.000 1.040 356 S CA 0.184 58.401 58.200 0.028 0.000 0.958 356 S CB -0.098 63.120 63.200 0.029 0.000 0.860 356 S HN 0.459 nan 8.310 nan 0.000 0.487 357 R N 1.086 121.584 120.500 -0.003 0.000 2.127 357 R HA -0.002 4.334 4.340 -0.006 0.000 0.238 357 R C 2.236 178.523 176.300 -0.022 0.000 1.134 357 R CA 0.851 56.939 56.100 -0.019 0.000 0.975 357 R CB -1.131 29.147 30.300 -0.037 0.000 0.865 357 R HN 0.461 nan 8.270 nan 0.000 0.447 358 L N 0.786 121.998 121.223 -0.018 0.000 2.156 358 L HA -0.177 4.159 4.340 -0.006 0.000 0.208 358 L C 1.808 178.673 176.870 -0.008 0.000 1.095 358 L CA 1.542 56.368 54.840 -0.023 0.000 0.770 358 L CB -0.235 41.812 42.059 -0.021 0.000 0.914 358 L HN 0.077 nan 8.230 nan 0.000 0.439 359 D N -1.133 119.266 120.400 -0.001 0.000 2.183 359 D HA -0.147 4.489 4.640 -0.006 0.000 0.203 359 D C 2.120 178.419 176.300 -0.001 0.000 0.969 359 D CA 1.166 55.166 54.000 0.000 0.000 0.842 359 D CB 0.317 41.118 40.800 0.002 0.000 0.957 359 D HN 0.172 nan 8.370 nan 0.000 0.484 360 S N -0.303 115.396 115.700 -0.003 0.000 2.368 360 S HA -0.059 4.408 4.470 -0.006 0.000 0.224 360 S C 2.121 176.718 174.600 -0.005 0.000 1.029 360 S CA 0.897 59.095 58.200 -0.003 0.000 0.988 360 S CB -0.429 62.768 63.200 -0.006 0.000 0.838 360 S HN 0.450 nan 8.310 nan 0.000 0.462 361 A N 1.683 124.497 122.820 -0.010 0.000 1.908 361 A HA -0.043 4.273 4.320 -0.006 0.000 0.218 361 A C 2.003 179.583 177.584 -0.007 0.000 1.181 361 A CA 1.258 53.288 52.037 -0.011 0.000 0.627 361 A CB -0.775 18.213 19.000 -0.021 0.000 0.818 361 A HN 0.478 nan 8.150 nan 0.000 0.445 362 L N -1.079 120.140 121.223 -0.007 0.000 2.465 362 L HA -0.068 4.269 4.340 -0.006 0.000 0.224 362 L C 2.566 179.435 176.870 -0.002 0.000 1.145 362 L CA 1.236 56.073 54.840 -0.006 0.000 0.834 362 L CB -0.381 41.676 42.059 -0.003 0.000 0.944 362 L HN 0.560 nan 8.230 nan 0.000 0.451 363 R N 1.130 121.630 120.500 -0.000 0.000 2.064 363 R HA 0.001 4.338 4.340 -0.006 0.000 0.221 363 R C 1.501 177.802 176.300 0.003 0.000 1.136 363 R CA 0.858 56.960 56.100 0.003 0.000 0.980 363 R CB -0.521 29.782 30.300 0.004 0.000 0.876 363 R HN 0.281 nan 8.270 nan 0.000 0.437 364 S N 0.632 116.333 115.700 0.002 0.000 2.564 364 S HA -0.130 4.336 4.470 -0.006 0.000 0.263 364 S C 1.108 175.710 174.600 0.003 0.000 1.378 364 S CA 0.109 58.311 58.200 0.002 0.000 0.996 364 S CB 0.535 63.736 63.200 0.002 0.000 0.881 364 S HN 0.586 nan 8.310 nan 0.000 0.555 365 E N 1.462 121.664 120.200 0.003 0.000 2.038 365 E HA -0.176 4.170 4.350 -0.006 0.000 0.195 365 E C 1.516 178.119 176.600 0.005 0.000 1.000 365 E CA 1.748 58.150 56.400 0.004 0.000 0.803 365 E CB -1.056 28.646 29.700 0.003 0.000 0.750 365 E HN 0.758 nan 8.360 nan 0.000 0.448 366 S N -0.402 115.303 115.700 0.007 0.000 3.054 366 S HA 0.179 4.645 4.470 -0.006 0.000 0.243 366 S C 1.460 176.065 174.600 0.008 0.000 1.013 366 S CA -0.039 58.168 58.200 0.011 0.000 1.119 366 S CB -0.332 62.880 63.200 0.019 0.000 0.838 366 S HN 0.472 nan 8.310 nan 0.000 0.505 367 G N 0.843 109.645 108.800 0.003 0.000 2.683 367 G HA2 0.050 4.006 3.960 -0.006 0.000 0.213 367 G HA3 0.050 4.006 3.960 -0.006 0.000 0.213 367 G C 1.430 176.327 174.900 -0.005 0.000 1.142 367 G CA -0.100 44.999 45.100 -0.001 0.000 0.793 367 G HN 0.403 nan 8.290 nan 0.000 0.534 368 E N 0.511 120.710 120.200 -0.002 0.000 2.060 368 E HA 0.007 4.353 4.350 -0.006 0.000 0.189 368 E C 2.824 179.422 176.600 -0.004 0.000 0.974 368 E CA 0.263 56.661 56.400 -0.004 0.000 0.808 368 E CB -0.520 29.179 29.700 -0.001 0.000 0.768 368 E HN 0.203 nan 8.360 nan 0.000 0.453 369 V N 1.619 121.535 119.914 0.004 0.000 2.469 369 V HA -0.230 3.886 4.120 -0.006 0.000 0.251 369 V C 2.386 178.482 176.094 0.003 0.000 1.064 369 V CA 1.338 63.643 62.300 0.009 0.000 1.066 369 V CB -0.458 31.378 31.823 0.021 0.000 0.667 369 V HN 0.150 nan 8.190 nan 0.000 0.461 370 L N 0.479 121.701 121.223 -0.002 0.000 2.095 370 L HA 0.112 4.448 4.340 -0.006 0.000 0.204 370 L C 2.456 179.310 176.870 -0.026 0.000 1.080 370 L CA 2.097 56.930 54.840 -0.012 0.000 0.759 370 L CB -0.915 41.136 42.059 -0.014 0.000 0.914 370 L HN 0.186 nan 8.230 nan 0.000 0.439 371 A N -0.288 122.512 122.820 -0.034 0.000 1.883 371 A HA -0.143 4.173 4.320 -0.006 0.000 0.217 371 A C 2.437 179.978 177.584 -0.072 0.000 1.186 371 A CA 2.031 54.028 52.037 -0.067 0.000 0.624 371 A CB -1.235 17.731 19.000 -0.056 0.000 0.822 371 A HN 0.544 nan 8.150 nan 0.000 0.444 372 A N -0.224 122.575 122.820 -0.036 0.000 1.873 372 A HA 0.183 4.499 4.320 -0.006 0.000 0.215 372 A C 2.546 180.123 177.584 -0.012 0.000 1.186 372 A CA 2.217 54.242 52.037 -0.020 0.000 0.616 372 A CB -1.220 17.777 19.000 -0.004 0.000 0.823 372 A HN 1.128 nan 8.150 nan 0.000 0.442 373 A N 0.329 123.144 122.820 -0.009 0.000 1.859 373 A HA -0.219 4.098 4.320 -0.006 0.000 0.218 373 A C 2.141 179.725 177.584 -0.001 0.000 1.209 373 A CA 1.866 53.899 52.037 -0.007 0.000 0.639 373 A CB -0.915 18.081 19.000 -0.007 0.000 0.835 373 A HN 0.514 nan 8.150 nan 0.000 0.450 374 I N -1.266 119.313 120.570 0.016 0.000 2.091 374 I HA -0.343 3.823 4.170 -0.006 0.000 0.239 374 I C 2.727 178.918 176.117 0.124 0.000 1.061 374 I CA 2.126 63.488 61.300 0.103 0.000 1.317 374 I CB -0.459 37.607 38.000 0.110 0.000 1.031 374 I HN 0.410 nan 8.210 nan 0.000 0.401 375 R N 0.263 120.766 120.500 0.005 0.000 2.153 375 R HA -0.227 4.110 4.340 -0.006 0.000 0.252 375 R C 2.213 178.605 176.300 0.153 0.000 1.158 375 R CA 2.415 58.537 56.100 0.038 0.000 0.975 375 R CB -0.320 29.948 30.300 -0.054 0.000 0.871 375 R HN 0.378 nan 8.270 nan 0.000 0.450 376 T N -0.065 114.530 114.554 0.069 0.000 2.698 376 T HA -0.059 4.287 4.350 -0.006 0.000 0.260 376 T C 1.734 176.427 174.700 -0.011 0.000 1.044 376 T CA 0.776 62.903 62.100 0.044 0.000 1.149 376 T CB -0.208 68.664 68.868 0.007 0.000 0.864 376 T HN 0.212 nan 8.240 nan 0.000 0.419 377 R N 0.276 120.696 120.500 -0.133 0.000 2.119 377 R HA -0.090 4.246 4.340 -0.006 0.000 0.246 377 R C -0.199 175.753 176.300 -0.580 0.000 1.146 377 R CA 1.306 57.130 56.100 -0.460 0.000 0.962 377 R CB -0.382 29.492 30.300 -0.710 0.000 0.863 377 R HN 0.382 nan 8.270 nan 0.000 0.442 378 F N 0.392 120.505 119.950 0.271 0.000 2.564 378 F HA 0.313 4.837 4.527 -0.006 0.000 0.361 378 F C -1.470 174.552 175.800 0.370 0.000 1.161 378 F CA -2.557 55.623 58.000 0.300 0.000 1.198 378 F CB 1.649 40.912 39.000 0.437 0.000 1.424 378 F HN -0.044 nan 8.300 nan 0.000 0.517 379 P HA -0.103 nan 4.420 nan 0.000 0.222 379 P C 0.293 177.682 177.300 0.148 0.000 1.147 379 P CA 1.087 64.359 63.100 0.288 0.000 0.790 379 P CB 1.224 33.044 31.700 0.200 0.000 0.780 380 V N -0.874 118.998 119.914 -0.072 0.000 2.668 380 V HA 0.721 4.837 4.120 -0.006 0.000 0.304 380 V C -1.583 174.272 176.094 -0.398 0.000 1.071 380 V CA -0.916 61.187 62.300 -0.329 0.000 0.894 380 V CB 1.679 33.209 31.823 -0.489 0.000 1.008 380 V HN 0.154 nan 8.190 nan 0.000 0.425 381 A N 7.594 129.985 122.820 -0.716 0.000 2.386 381 A HA 0.913 5.229 4.320 -0.006 0.000 0.311 381 A C -0.725 176.463 177.584 -0.660 0.000 1.068 381 A CA -0.760 50.822 52.037 -0.759 0.000 0.743 381 A CB 1.818 20.054 19.000 -1.273 0.000 1.258 381 A HN 0.873 nan 8.150 nan 0.000 0.429 382 M N 3.510 122.821 119.600 -0.482 0.000 2.101 382 M HA 0.349 4.826 4.480 -0.006 0.000 0.340 382 M C -1.030 175.042 176.300 -0.379 0.000 1.057 382 M CA -0.390 54.685 55.300 -0.375 0.000 0.984 382 M CB 1.007 33.467 32.600 -0.234 0.000 1.560 382 M HN 0.428 nan 8.290 nan 0.000 0.435 383 I N 2.554 122.884 120.570 -0.400 0.000 2.321 383 I HA 0.274 4.441 4.170 -0.006 0.000 0.291 383 I C -0.206 175.847 176.117 -0.107 0.000 0.998 383 I CA -0.372 60.753 61.300 -0.292 0.000 1.227 383 I CB 0.866 38.630 38.000 -0.394 0.000 1.368 383 I HN 0.626 nan 8.210 nan 0.000 0.466 384 D N 4.245 124.628 120.400 -0.027 0.000 2.272 384 D HA 0.309 4.946 4.640 -0.006 0.000 0.247 384 D C 0.312 176.669 176.300 0.094 0.000 0.990 384 D CA -0.089 53.922 54.000 0.018 0.000 0.931 384 D CB 1.168 41.957 40.800 -0.018 0.000 1.195 384 D HN 0.458 nan 8.370 nan 0.000 0.477 385 E N 1.198 121.449 120.200 0.085 0.000 2.586 385 E HA -0.260 4.087 4.350 -0.006 0.000 0.259 385 E C 0.129 176.779 176.600 0.084 0.000 1.107 385 E CA 0.232 56.678 56.400 0.076 0.000 0.754 385 E CB -1.718 28.037 29.700 0.091 0.000 1.335 385 E HN 0.552 nan 8.360 nan 0.000 0.411 386 F N 1.383 121.318 119.950 -0.024 0.000 2.202 386 F HA -0.243 4.281 4.527 -0.006 0.000 0.301 386 F C 2.380 178.153 175.800 -0.045 0.000 1.082 386 F CA 2.136 60.144 58.000 0.012 0.000 1.313 386 F CB -0.043 38.987 39.000 0.051 0.000 1.024 386 F HN 0.357 nan 8.300 nan 0.000 0.495 387 Q N -0.271 119.406 119.800 -0.204 0.000 2.576 387 Q HA -0.199 4.137 4.340 -0.006 0.000 0.218 387 Q C 0.208 175.984 176.000 -0.372 0.000 0.983 387 Q CA 1.629 57.113 55.803 -0.532 0.000 0.920 387 Q CB -0.905 27.497 28.738 -0.562 0.000 0.973 387 Q HN 0.418 nan 8.270 nan 0.000 0.528 388 D N 1.350 121.579 120.400 -0.285 0.000 2.440 388 D HA 0.076 4.712 4.640 -0.006 0.000 0.216 388 D C 0.241 176.357 176.300 -0.307 0.000 1.150 388 D CA 0.461 54.311 54.000 -0.249 0.000 0.832 388 D CB 0.557 41.236 40.800 -0.201 0.000 0.992 388 D HN 0.433 nan 8.370 nan 0.000 0.502 389 T N -0.366 113.957 114.554 -0.384 0.000 2.681 389 T HA 0.248 4.595 4.350 -0.006 0.000 0.333 389 T C 0.232 174.798 174.700 -0.224 0.000 1.049 389 T CA -0.448 61.459 62.100 -0.321 0.000 1.002 389 T CB 1.111 69.712 68.868 -0.444 0.000 1.161 389 T HN 0.065 nan 8.240 nan 0.000 0.519 390 D N -1.530 118.788 120.400 -0.137 0.000 2.583 390 D HA 0.278 4.914 4.640 -0.006 0.000 0.248 390 D C -2.414 173.898 176.300 0.020 0.000 1.209 390 D CA -1.815 52.156 54.000 -0.050 0.000 0.848 390 D CB 1.251 42.029 40.800 -0.036 0.000 1.431 390 D HN 0.310 nan 8.370 nan 0.000 0.436 391 P HA -0.263 nan 4.420 nan 0.000 0.216 391 P C 1.434 178.777 177.300 0.072 0.000 1.154 391 P CA 1.590 64.758 63.100 0.114 0.000 0.865 391 P CB 0.478 32.245 31.700 0.112 0.000 0.789 392 Q N -0.508 119.312 119.800 0.033 0.000 2.061 392 Q HA -0.204 4.132 4.340 -0.006 0.000 0.204 392 Q C 2.652 178.618 176.000 -0.058 0.000 0.984 392 Q CA 1.608 57.411 55.803 0.001 0.000 0.846 392 Q CB -0.241 28.502 28.738 0.008 0.000 0.902 392 Q HN 0.416 nan 8.270 nan 0.000 0.421 393 Q N -0.594 119.142 119.800 -0.107 0.000 1.889 393 Q HA -0.213 4.123 4.340 -0.006 0.000 0.211 393 Q C 1.938 177.750 176.000 -0.314 0.000 0.988 393 Q CA 1.463 57.069 55.803 -0.328 0.000 0.861 393 Q CB -0.493 28.048 28.738 -0.329 0.000 0.922 393 Q HN 0.382 nan 8.270 nan 0.000 0.425 394 Y N 1.783 121.997 120.300 -0.144 0.000 2.172 394 Y HA -0.358 4.188 4.550 -0.006 0.000 0.280 394 Y C 2.321 178.313 175.900 0.153 0.000 1.209 394 Y CA 2.098 60.299 58.100 0.169 0.000 1.171 394 Y CB -0.361 38.217 38.460 0.196 0.000 0.965 394 Y HN 0.059 nan 8.280 nan 0.000 0.520 395 R N 0.059 120.532 120.500 -0.044 0.000 2.075 395 R HA -0.173 4.163 4.340 -0.006 0.000 0.230 395 R C 2.456 178.730 176.300 -0.044 0.000 1.140 395 R CA 2.347 58.380 56.100 -0.111 0.000 0.928 395 R CB -0.575 29.703 30.300 -0.037 0.000 0.834 395 R HN 0.460 nan 8.270 nan 0.000 0.429 396 I N 0.287 120.842 120.570 -0.027 0.000 2.145 396 I HA -0.376 3.790 4.170 -0.006 0.000 0.244 396 I C 2.206 178.455 176.117 0.219 0.000 1.075 396 I CA 1.749 63.077 61.300 0.046 0.000 1.332 396 I CB -0.503 37.508 38.000 0.018 0.000 1.033 396 I HN 0.264 nan 8.210 nan 0.000 0.410 397 F N 1.129 121.216 119.950 0.229 0.000 2.026 397 F HA -0.294 4.229 4.527 -0.006 0.000 0.296 397 F C 2.991 178.967 175.800 0.294 0.000 1.133 397 F CA 1.454 59.683 58.000 0.382 0.000 1.188 397 F CB -0.445 38.831 39.000 0.460 0.000 0.968 397 F HN 0.118 nan 8.300 nan 0.000 0.476 398 R N 1.122 121.793 120.500 0.285 0.000 2.115 398 R HA -0.165 4.171 4.340 -0.006 0.000 0.230 398 R C 1.994 178.386 176.300 0.153 0.000 1.111 398 R CA 1.467 57.662 56.100 0.158 0.000 0.976 398 R CB -0.726 29.461 30.300 -0.188 0.000 0.870 398 R HN 0.138 nan 8.270 nan 0.000 0.445 399 R N 1.186 121.729 120.500 0.072 0.000 2.293 399 R HA 0.052 4.388 4.340 -0.006 0.000 0.219 399 R C 1.434 177.725 176.300 -0.015 0.000 1.091 399 R CA 1.249 57.370 56.100 0.034 0.000 1.004 399 R CB -0.091 30.216 30.300 0.012 0.000 0.865 399 R HN 0.495 nan 8.270 nan 0.000 0.469 400 I N -2.794 117.735 120.570 -0.068 0.000 3.565 400 I HA 0.050 4.217 4.170 -0.006 0.000 0.287 400 I C 1.213 177.097 176.117 -0.389 0.000 1.193 400 I CA 0.022 61.106 61.300 -0.359 0.000 1.402 400 I CB 0.002 37.497 38.000 -0.841 0.000 1.284 400 I HN 0.149 nan 8.210 nan 0.000 0.454 401 W N 0.321 121.719 121.300 0.162 0.000 2.901 401 W HA 0.216 4.872 4.660 -0.006 0.000 0.281 401 W C 1.150 177.763 176.519 0.157 0.000 1.167 401 W CA -0.154 57.271 57.345 0.133 0.000 1.506 401 W CB -0.442 29.069 29.460 0.085 0.000 0.985 401 W HN 0.079 nan 8.180 nan 0.000 0.590 402 H N 1.631 120.841 119.070 0.234 0.000 3.064 402 H HA -0.092 4.460 4.556 -0.006 0.000 0.329 402 H C 0.278 175.704 175.328 0.163 0.000 1.020 402 H CA 0.664 56.792 56.048 0.132 0.000 1.402 402 H CB 0.243 30.062 29.762 0.094 0.000 1.379 402 H HN -0.029 nan 8.280 nan 0.000 0.594 403 H N 2.739 121.807 119.070 -0.004 0.000 2.514 403 H HA -0.230 4.323 4.556 -0.006 0.000 0.318 403 H C -0.541 174.779 175.328 -0.014 0.000 0.994 403 H CA 1.100 57.078 56.048 -0.116 0.000 1.056 403 H CB -0.752 28.779 29.762 -0.386 0.000 1.621 403 H HN 0.630 nan 8.280 nan 0.000 0.360 404 Q N 1.916 121.821 119.800 0.174 0.000 2.483 404 Q HA 0.355 4.691 4.340 -0.006 0.000 0.245 404 Q C -2.633 173.461 176.000 0.157 0.000 0.902 404 Q CA -1.468 54.427 55.803 0.153 0.000 0.767 404 Q CB 1.827 30.668 28.738 0.173 0.000 1.341 404 Q HN 0.123 nan 8.270 nan 0.000 0.453 405 P HA 0.045 nan 4.420 nan 0.000 0.269 405 P C -0.486 176.884 177.300 0.116 0.000 1.217 405 P CA 0.340 63.502 63.100 0.103 0.000 0.783 405 P CB 0.577 32.316 31.700 0.065 0.000 0.898 406 E N -2.253 118.008 120.200 0.101 0.000 3.763 406 E HA -0.139 4.207 4.350 -0.006 0.000 0.319 406 E C 0.018 176.812 176.600 0.323 0.000 0.804 406 E CA 1.563 58.033 56.400 0.116 0.000 1.196 406 E CB -2.126 27.627 29.700 0.087 0.000 1.607 406 E HN 0.736 nan 8.360 nan 0.000 0.431 407 T N -3.234 111.522 114.554 0.337 0.000 2.864 407 T HA 0.849 5.196 4.350 -0.006 0.000 0.299 407 T C -0.784 174.070 174.700 0.257 0.000 1.166 407 T CA -0.301 62.020 62.100 0.368 0.000 1.007 407 T CB 2.790 71.915 68.868 0.427 0.000 1.219 407 T HN 0.452 nan 8.240 nan 0.000 0.506 408 A N 1.329 124.196 122.820 0.079 0.000 2.427 408 A HA 0.739 5.055 4.320 -0.006 0.000 0.298 408 A C -1.479 175.943 177.584 -0.270 0.000 1.036 408 A CA -0.752 51.258 52.037 -0.045 0.000 0.701 408 A CB 1.585 20.554 19.000 -0.051 0.000 1.250 408 A HN 0.998 nan 8.150 nan 0.000 0.412 409 L N 3.615 124.696 121.223 -0.238 0.000 2.301 409 L HA 0.532 4.868 4.340 -0.006 0.000 0.278 409 L C -1.125 175.551 176.870 -0.323 0.000 1.022 409 L CA -0.210 54.389 54.840 -0.402 0.000 0.854 409 L CB 0.670 42.577 42.059 -0.254 0.000 1.226 409 L HN 0.610 nan 8.230 nan 0.000 0.429 410 L N 6.522 127.525 121.223 -0.367 0.000 2.302 410 L HA 0.338 4.674 4.340 -0.006 0.000 0.285 410 L C -0.493 176.179 176.870 -0.330 0.000 1.090 410 L CA -0.239 54.435 54.840 -0.276 0.000 0.866 410 L CB 0.317 42.238 42.059 -0.230 0.000 1.244 410 L HN 0.471 nan 8.230 nan 0.000 0.435 411 L N 5.645 126.658 121.223 -0.350 0.000 2.261 411 L HA 0.512 4.849 4.340 -0.006 0.000 0.289 411 L C -0.242 176.479 176.870 -0.248 0.000 1.059 411 L CA -0.037 54.511 54.840 -0.486 0.000 0.816 411 L CB 1.517 43.059 42.059 -0.862 0.000 1.191 411 L HN 0.568 nan 8.230 nan 0.000 0.431 412 I N 2.818 123.311 120.570 -0.127 0.000 2.533 412 I HA 0.846 5.012 4.170 -0.006 0.000 0.290 412 I C -0.163 175.991 176.117 0.063 0.000 1.056 412 I CA -0.009 61.282 61.300 -0.016 0.000 1.057 412 I CB 1.912 39.893 38.000 -0.031 0.000 1.240 412 I HN 0.661 nan 8.210 nan 0.000 0.423 413 G N 5.234 114.074 108.800 0.066 0.000 2.341 413 G HA2 0.205 4.162 3.960 -0.006 0.000 0.299 413 G HA3 0.205 4.162 3.960 -0.006 0.000 0.299 413 G C -2.365 172.511 174.900 -0.041 0.000 1.274 413 G CA -0.441 44.678 45.100 0.031 0.000 0.853 413 G HN 0.524 nan 8.290 nan 0.000 0.493 414 D N 0.125 120.444 120.400 -0.135 0.000 2.602 414 D HA 0.396 5.033 4.640 -0.006 0.000 0.245 414 D C -1.601 174.478 176.300 -0.370 0.000 1.325 414 D CA -1.654 52.228 54.000 -0.198 0.000 0.952 414 D CB 2.736 43.480 40.800 -0.094 0.000 1.317 414 D HN 0.042 nan 8.370 nan 0.000 0.577 415 P HA -0.160 nan 4.420 nan 0.000 0.218 415 P C 0.834 177.831 177.300 -0.506 0.000 1.146 415 P CA 0.870 63.597 63.100 -0.623 0.000 0.813 415 P CB 0.486 31.888 31.700 -0.497 0.000 0.778 416 K N -0.458 119.579 120.400 -0.606 0.000 2.442 416 K HA -0.062 4.254 4.320 -0.006 0.000 0.198 416 K C 1.732 178.141 176.600 -0.320 0.000 1.042 416 K CA 0.827 56.600 56.287 -0.857 0.000 0.958 416 K CB -0.099 31.549 32.500 -1.421 0.000 0.766 416 K HN 0.324 nan 8.250 nan 0.000 0.474 417 Q N -0.186 119.498 119.800 -0.193 0.000 2.172 417 Q HA 0.217 4.553 4.340 -0.006 0.000 0.217 417 Q C -0.565 175.363 176.000 -0.121 0.000 0.832 417 Q CA -0.398 55.367 55.803 -0.065 0.000 1.010 417 Q CB 1.426 30.164 28.738 -0.001 0.000 1.133 417 Q HN 0.121 nan 8.270 nan 0.000 0.489 418 A N 1.812 124.528 122.820 -0.175 0.000 2.539 418 A HA 0.265 4.581 4.320 -0.006 0.000 0.306 418 A C 0.734 178.246 177.584 -0.120 0.000 1.392 418 A CA -0.145 51.799 52.037 -0.154 0.000 1.060 418 A CB -0.791 18.081 19.000 -0.212 0.000 1.134 418 A HN 0.570 nan 8.150 nan 0.000 0.542 419 I N -1.856 118.605 120.570 -0.182 0.000 4.081 419 I HA 0.289 4.456 4.170 -0.006 0.000 0.333 419 I C -0.419 175.619 176.117 -0.131 0.000 1.413 419 I CA -0.240 60.939 61.300 -0.202 0.000 1.110 419 I CB 0.093 37.854 38.000 -0.398 0.000 1.082 419 I HN 0.474 nan 8.210 nan 0.000 0.402 420 Y N 1.966 122.300 120.300 0.057 0.000 2.928 420 Y HA 0.569 5.115 4.550 -0.006 0.000 0.390 420 Y C 2.017 177.789 175.900 -0.214 0.000 1.101 420 Y CA -0.209 57.839 58.100 -0.086 0.000 1.777 420 Y CB 0.430 38.757 38.460 -0.221 0.000 1.720 420 Y HN 0.264 nan 8.280 nan 0.000 0.484 421 A N 0.875 123.758 122.820 0.105 0.000 1.858 421 A HA -0.232 4.084 4.320 -0.006 0.000 0.216 421 A C 1.907 179.522 177.584 0.051 0.000 1.190 421 A CA 1.657 53.767 52.037 0.121 0.000 0.617 421 A CB -1.066 18.070 19.000 0.226 0.000 0.827 421 A HN 0.782 nan 8.150 nan 0.000 0.443 422 F N -1.084 118.943 119.950 0.128 0.000 2.346 422 F HA -0.091 4.432 4.527 -0.006 0.000 0.301 422 F C 1.722 177.556 175.800 0.057 0.000 1.070 422 F CA 1.602 59.644 58.000 0.070 0.000 1.407 422 F CB -0.250 38.779 39.000 0.049 0.000 1.072 422 F HN 0.094 nan 8.300 nan 0.000 0.543 423 R N 0.894 120.940 120.500 -0.758 0.000 2.362 423 R HA 0.288 4.625 4.340 -0.006 0.000 0.227 423 R C 1.348 177.520 176.300 -0.214 0.000 0.905 423 R CA 0.197 56.022 56.100 -0.458 0.000 1.067 423 R CB -0.225 29.729 30.300 -0.576 0.000 1.078 423 R HN 0.519 nan 8.270 nan 0.000 0.516 424 G N -0.886 107.826 108.800 -0.146 0.000 2.168 424 G HA2 -0.203 3.753 3.960 -0.006 0.000 0.197 424 G HA3 -0.203 3.753 3.960 -0.006 0.000 0.197 424 G C 0.023 174.896 174.900 -0.046 0.000 0.997 424 G CA -0.026 45.048 45.100 -0.043 0.000 0.658 424 G HN 0.486 nan 8.290 nan 0.000 0.513 425 A N 0.765 123.528 122.820 -0.095 0.000 2.438 425 A HA 0.532 4.848 4.320 -0.006 0.000 0.280 425 A C 0.146 177.716 177.584 -0.024 0.000 1.160 425 A CA 0.724 52.700 52.037 -0.102 0.000 0.821 425 A CB 0.193 19.131 19.000 -0.104 0.000 1.101 425 A HN 0.542 nan 8.150 nan 0.000 0.515 426 D N 2.943 123.329 120.400 -0.023 0.000 2.411 426 D HA 0.208 4.844 4.640 -0.006 0.000 0.225 426 D C 0.813 177.068 176.300 -0.075 0.000 1.156 426 D CA -0.523 53.482 54.000 0.007 0.000 0.874 426 D CB 0.326 41.156 40.800 0.049 0.000 1.034 426 D HN 0.323 nan 8.370 nan 0.000 0.502 427 I N 4.027 124.545 120.570 -0.086 0.000 2.315 427 I HA -0.175 3.991 4.170 -0.006 0.000 0.251 427 I C 1.238 177.203 176.117 -0.255 0.000 1.125 427 I CA 1.429 62.631 61.300 -0.164 0.000 1.392 427 I CB -0.337 37.564 38.000 -0.165 0.000 1.065 427 I HN 0.447 nan 8.210 nan 0.000 0.424 428 F N 0.046 119.780 119.950 -0.361 0.000 2.134 428 F HA -0.213 4.310 4.527 -0.006 0.000 0.299 428 F C 2.765 178.305 175.800 -0.434 0.000 1.097 428 F CA 2.030 59.687 58.000 -0.571 0.000 1.264 428 F CB -1.179 37.375 39.000 -0.742 0.000 1.001 428 F HN 0.094 nan 8.300 nan 0.000 0.479 429 T N -1.439 113.075 114.554 -0.066 0.000 2.962 429 T HA -0.256 4.090 4.350 -0.006 0.000 0.270 429 T C 1.823 176.429 174.700 -0.156 0.000 1.088 429 T CA 1.244 63.331 62.100 -0.021 0.000 1.127 429 T CB -0.517 68.369 68.868 0.031 0.000 0.883 429 T HN 0.417 nan 8.240 nan 0.000 0.493 430 Y N 1.346 121.459 120.300 -0.312 0.000 2.153 430 Y HA 0.118 4.665 4.550 -0.006 0.000 0.289 430 Y C 2.209 177.970 175.900 -0.232 0.000 1.127 430 Y CA 1.442 59.339 58.100 -0.339 0.000 1.131 430 Y CB -0.385 37.873 38.460 -0.337 0.000 0.995 430 Y HN 0.153 nan 8.280 nan 0.000 0.505 431 M N 0.360 119.756 119.600 -0.340 0.000 2.267 431 M HA -0.193 4.283 4.480 -0.006 0.000 0.263 431 M C 2.122 178.301 176.300 -0.201 0.000 1.063 431 M CA 2.092 57.164 55.300 -0.381 0.000 1.090 431 M CB -0.400 31.914 32.600 -0.476 0.000 1.392 431 M HN 0.219 nan 8.290 nan 0.000 0.422 432 K N 1.386 121.725 120.400 -0.102 0.000 2.001 432 K HA -0.065 4.251 4.320 -0.006 0.000 0.208 432 K C 1.915 178.519 176.600 0.006 0.000 1.048 432 K CA 1.842 58.246 56.287 0.195 0.000 0.932 432 K CB -0.421 32.263 32.500 0.307 0.000 0.715 432 K HN 0.176 nan 8.250 nan 0.000 0.437 433 A N 0.793 123.432 122.820 -0.301 0.000 2.019 433 A HA -0.141 4.175 4.320 -0.006 0.000 0.219 433 A C 2.179 179.564 177.584 -0.331 0.000 1.164 433 A CA 1.791 53.529 52.037 -0.498 0.000 0.644 433 A CB -0.624 17.827 19.000 -0.916 0.000 0.805 433 A HN 0.435 nan 8.150 nan 0.000 0.449 434 R N 0.265 120.501 120.500 -0.439 0.000 2.096 434 R HA -0.067 4.269 4.340 -0.006 0.000 0.235 434 R C 2.174 178.414 176.300 -0.100 0.000 1.127 434 R CA 2.164 58.025 56.100 -0.399 0.000 0.968 434 R CB -0.555 29.440 30.300 -0.509 0.000 0.861 434 R HN 0.417 nan 8.270 nan 0.000 0.440 435 S N 0.137 115.814 115.700 -0.039 0.000 2.371 435 S HA -0.085 4.381 4.470 -0.006 0.000 0.224 435 S C 1.675 176.260 174.600 -0.025 0.000 1.029 435 S CA 1.394 59.623 58.200 0.048 0.000 0.978 435 S CB -0.175 63.091 63.200 0.110 0.000 0.833 435 S HN 0.418 nan 8.310 nan 0.000 0.466 436 E N 0.713 120.879 120.200 -0.056 0.000 2.106 436 E HA -0.057 4.289 4.350 -0.006 0.000 0.192 436 E C 0.654 177.034 176.600 -0.367 0.000 0.984 436 E CA 0.775 57.091 56.400 -0.140 0.000 0.806 436 E CB 0.051 29.714 29.700 -0.061 0.000 0.750 436 E HN 0.447 nan 8.360 nan 0.000 0.458 437 V N -0.182 119.564 119.914 -0.279 0.000 2.407 437 V HA 0.175 4.291 4.120 -0.006 0.000 0.278 437 V C 0.518 176.486 176.094 -0.210 0.000 1.037 437 V CA -0.571 61.565 62.300 -0.273 0.000 0.900 437 V CB 1.282 33.020 31.823 -0.142 0.000 0.983 437 V HN 0.161 nan 8.190 nan 0.000 0.459 438 H N 4.029 123.098 119.070 -0.002 0.000 2.525 438 H HA 0.358 4.910 4.556 -0.006 0.000 0.275 438 H C 1.381 176.542 175.328 -0.279 0.000 0.984 438 H CA 0.987 56.944 56.048 -0.151 0.000 1.264 438 H CB 0.259 29.954 29.762 -0.112 0.000 1.432 438 H HN 0.850 nan 8.280 nan 0.000 0.549 439 A N 2.544 125.353 122.820 -0.019 0.000 2.410 439 A HA 0.175 4.491 4.320 -0.006 0.000 0.292 439 A C -0.425 177.070 177.584 -0.149 0.000 1.232 439 A CA -0.021 51.925 52.037 -0.151 0.000 0.893 439 A CB -0.784 18.200 19.000 -0.026 0.000 1.131 439 A HN 0.428 nan 8.150 nan 0.000 0.530 440 H N 0.943 119.690 119.070 -0.538 0.000 2.492 440 H HA 0.600 5.152 4.556 -0.006 0.000 0.345 440 H C -1.519 173.389 175.328 -0.699 0.000 1.136 440 H CA -0.442 55.340 56.048 -0.443 0.000 1.202 440 H CB 1.594 31.229 29.762 -0.210 0.000 1.524 440 H HN 0.673 nan 8.280 nan 0.000 0.506 441 Y N 0.178 120.539 120.300 0.102 0.000 2.513 441 Y HA 0.295 4.841 4.550 -0.006 0.000 0.340 441 Y C -0.182 175.732 175.900 0.024 0.000 1.055 441 Y CA -0.757 57.373 58.100 0.050 0.000 1.020 441 Y CB 2.409 40.887 38.460 0.030 0.000 1.301 441 Y HN 0.548 nan 8.280 nan 0.000 0.453 442 T N 3.249 117.912 114.554 0.182 0.000 2.916 442 T HA 0.608 4.954 4.350 -0.006 0.000 0.292 442 T C -1.013 173.733 174.700 0.077 0.000 1.055 442 T CA -0.901 61.253 62.100 0.091 0.000 1.009 442 T CB 1.279 70.168 68.868 0.035 0.000 1.118 442 T HN 0.352 nan 8.240 nan 0.000 0.497 443 L N 2.986 124.241 121.223 0.053 0.000 2.265 443 L HA 0.327 4.663 4.340 -0.006 0.000 0.289 443 L C 0.965 177.822 176.870 -0.022 0.000 1.033 443 L CA -0.596 54.272 54.840 0.046 0.000 0.814 443 L CB 1.258 43.375 42.059 0.097 0.000 1.203 443 L HN 0.838 nan 8.230 nan 0.000 0.423 444 D N 0.434 120.795 120.400 -0.064 0.000 2.249 444 D HA -0.088 4.548 4.640 -0.006 0.000 0.205 444 D C 0.984 177.152 176.300 -0.221 0.000 0.962 444 D CA 0.332 54.261 54.000 -0.118 0.000 0.860 444 D CB 0.185 40.926 40.800 -0.098 0.000 0.955 444 D HN 0.404 nan 8.370 nan 0.000 0.505 445 T N 0.234 114.559 114.554 -0.383 0.000 2.771 445 T HA 0.138 4.484 4.350 -0.006 0.000 0.291 445 T C -0.241 173.997 174.700 -0.769 0.000 0.954 445 T CA -0.886 60.791 62.100 -0.706 0.000 1.045 445 T CB 0.591 68.751 68.868 -1.180 0.000 0.917 445 T HN 0.019 nan 8.240 nan 0.000 0.484 446 N N 6.183 124.565 118.700 -0.530 0.000 2.801 446 N HA 0.103 4.839 4.740 -0.006 0.000 0.235 446 N C -0.044 175.298 175.510 -0.279 0.000 1.069 446 N CA -0.538 52.337 53.050 -0.292 0.000 0.946 446 N CB 0.178 38.578 38.487 -0.144 0.000 1.212 446 N HN 0.646 nan 8.380 nan 0.000 0.509 447 W N 1.815 123.064 121.300 -0.084 0.000 1.741 447 W HA 0.080 4.736 4.660 -0.007 0.000 0.363 447 W C 1.487 177.957 176.519 -0.082 0.000 1.564 447 W CA -0.258 57.023 57.345 -0.106 0.000 1.688 447 W CB 0.155 29.515 29.460 -0.165 0.000 1.382 447 W HN 0.506 nan 8.180 nan 0.000 0.725 448 R N -1.120 119.474 120.500 0.156 0.000 3.769 448 R HA -0.235 4.101 4.340 -0.006 0.000 0.443 448 R C 0.056 176.323 176.300 -0.054 0.000 0.647 448 R CA 1.617 57.746 56.100 0.049 0.000 1.563 448 R CB -1.745 28.605 30.300 0.084 0.000 2.174 448 R HN 0.275 nan 8.270 nan 0.000 0.403 449 S N -1.435 114.218 115.700 -0.078 0.000 2.599 449 S HA 0.850 5.316 4.470 -0.006 0.000 0.294 449 S C -0.849 173.653 174.600 -0.163 0.000 1.094 449 S CA -0.220 57.899 58.200 -0.135 0.000 0.931 449 S CB 1.608 64.751 63.200 -0.094 0.000 1.093 449 S HN 0.505 nan 8.310 nan 0.000 0.488 450 A N 3.510 126.215 122.820 -0.191 0.000 2.407 450 A HA 0.489 4.805 4.320 -0.006 0.000 0.248 450 A C -1.340 176.198 177.584 -0.077 0.000 1.082 450 A CA -1.118 50.827 52.037 -0.155 0.000 0.785 450 A CB -0.184 18.736 19.000 -0.133 0.000 1.020 450 A HN 0.708 nan 8.150 nan 0.000 0.489 451 P HA -0.187 nan 4.420 nan 0.000 0.215 451 P C 1.607 178.905 177.300 -0.004 0.000 1.157 451 P CA 2.111 65.192 63.100 -0.031 0.000 0.868 451 P CB -0.141 31.547 31.700 -0.022 0.000 0.788 452 G N -0.029 108.783 108.800 0.019 0.000 2.469 452 G HA2 -0.256 3.700 3.960 -0.006 0.000 0.219 452 G HA3 -0.256 3.700 3.960 -0.006 0.000 0.219 452 G C 1.636 176.555 174.900 0.032 0.000 1.150 452 G CA 1.085 46.210 45.100 0.042 0.000 0.763 452 G HN 0.117 nan 8.290 nan 0.000 0.561 453 M N 0.213 119.821 119.600 0.014 0.000 2.062 453 M HA -0.035 4.442 4.480 -0.006 0.000 0.259 453 M C 2.908 179.206 176.300 -0.003 0.000 1.076 453 M CA 0.913 56.209 55.300 -0.006 0.000 1.122 453 M CB -1.242 31.339 32.600 -0.031 0.000 1.312 453 M HN 0.121 nan 8.290 nan 0.000 0.412 454 V N 1.384 121.290 119.914 -0.013 0.000 2.370 454 V HA -0.336 3.781 4.120 -0.006 0.000 0.252 454 V C 1.949 178.069 176.094 0.042 0.000 1.068 454 V CA 2.075 64.378 62.300 0.005 0.000 1.061 454 V CB -1.374 30.435 31.823 -0.023 0.000 0.656 454 V HN 0.536 nan 8.190 nan 0.000 0.455 455 N N 0.614 119.334 118.700 0.032 0.000 2.142 455 N HA -0.156 4.580 4.740 -0.006 0.000 0.186 455 N C 2.079 177.630 175.510 0.068 0.000 1.023 455 N CA 1.487 54.566 53.050 0.048 0.000 0.852 455 N CB -0.229 38.278 38.487 0.034 0.000 0.998 455 N HN 0.647 nan 8.380 nan 0.000 0.424 456 S N 0.856 116.588 115.700 0.054 0.000 2.368 456 S HA -0.069 4.398 4.470 -0.006 0.000 0.224 456 S C 2.175 176.826 174.600 0.084 0.000 1.029 456 S CA 0.798 59.030 58.200 0.054 0.000 0.988 456 S CB -0.766 62.451 63.200 0.029 0.000 0.838 456 S HN 0.036 nan 8.310 nan 0.000 0.462 457 V N 3.260 123.226 119.914 0.087 0.000 2.343 457 V HA -0.191 3.926 4.120 -0.006 0.000 0.247 457 V C 2.500 178.738 176.094 0.241 0.000 1.051 457 V CA 2.130 64.509 62.300 0.131 0.000 1.036 457 V CB -1.204 30.637 31.823 0.030 0.000 0.654 457 V HN 0.586 nan 8.190 nan 0.000 0.451 458 N N -0.262 118.603 118.700 0.275 0.000 2.084 458 N HA -0.228 4.508 4.740 -0.006 0.000 0.190 458 N C 1.970 177.698 175.510 0.364 0.000 1.030 458 N CA 1.345 54.666 53.050 0.453 0.000 0.849 458 N CB -0.150 38.509 38.487 0.286 0.000 1.012 458 N HN 0.432 nan 8.380 nan 0.000 0.423 459 K N 1.177 121.698 120.400 0.203 0.000 2.009 459 K HA -0.183 4.133 4.320 -0.006 0.000 0.210 459 K C 2.142 178.805 176.600 0.106 0.000 1.049 459 K CA 1.092 57.459 56.287 0.133 0.000 0.929 459 K CB -0.258 32.289 32.500 0.078 0.000 0.714 459 K HN 0.027 nan 8.250 nan 0.000 0.440 460 L N 0.514 121.789 121.223 0.086 0.000 1.990 460 L HA -0.161 4.175 4.340 -0.006 0.000 0.213 460 L C 1.768 178.542 176.870 -0.161 0.000 1.072 460 L CA 1.803 56.623 54.840 -0.033 0.000 0.755 460 L CB -0.459 41.592 42.059 -0.013 0.000 0.889 460 L HN 0.167 nan 8.230 nan 0.000 0.432 461 F N -1.217 118.595 119.950 -0.231 0.000 2.804 461 F HA 0.076 4.599 4.527 -0.006 0.000 0.303 461 F C 2.095 177.855 175.800 -0.067 0.000 1.154 461 F CA 0.499 58.215 58.000 -0.473 0.000 1.401 461 F CB -0.370 37.819 39.000 -1.352 0.000 1.106 461 F HN 0.034 nan 8.300 nan 0.000 0.568 462 S N -1.335 114.506 115.700 0.235 0.000 2.512 462 S HA -0.010 4.456 4.470 -0.006 0.000 0.216 462 S C 1.841 176.496 174.600 0.092 0.000 1.006 462 S CA -0.246 58.110 58.200 0.260 0.000 0.915 462 S CB 0.131 63.485 63.200 0.258 0.000 0.824 462 S HN 0.204 nan 8.310 nan 0.000 0.497 463 Q N 1.902 121.707 119.800 0.008 0.000 1.803 463 Q HA -0.161 4.175 4.340 -0.006 0.000 0.292 463 Q C 1.521 177.505 176.000 -0.027 0.000 1.038 463 Q CA 2.015 57.796 55.803 -0.037 0.000 0.889 463 Q CB -1.503 27.171 28.738 -0.108 0.000 0.979 463 Q HN 0.648 nan 8.270 nan 0.000 0.415 464 T N -0.815 113.704 114.554 -0.058 0.000 2.847 464 T HA 0.236 4.582 4.350 -0.006 0.000 0.279 464 T C -0.053 174.646 174.700 -0.001 0.000 0.984 464 T CA -0.865 61.212 62.100 -0.038 0.000 0.988 464 T CB 1.265 70.092 68.868 -0.068 0.000 1.040 464 T HN 0.043 nan 8.240 nan 0.000 0.528 465 D N 0.051 120.460 120.400 0.015 0.000 2.225 465 D HA 0.252 4.888 4.640 -0.006 0.000 0.249 465 D C -0.529 175.801 176.300 0.051 0.000 1.052 465 D CA 0.078 54.108 54.000 0.050 0.000 0.909 465 D CB 0.386 41.215 40.800 0.047 0.000 1.186 465 D HN 0.728 nan 8.370 nan 0.000 0.431 466 D N 1.596 122.054 120.400 0.096 0.000 2.828 466 D HA -0.159 4.478 4.640 -0.006 0.000 0.241 466 D C 0.668 176.990 176.300 0.036 0.000 1.142 466 D CA 0.807 54.875 54.000 0.113 0.000 0.755 466 D CB -0.894 39.968 40.800 0.105 0.000 1.014 466 D HN 0.372 nan 8.370 nan 0.000 0.420 467 A N -0.375 122.438 122.820 -0.012 0.000 1.930 467 A HA -0.043 4.273 4.320 -0.006 0.000 0.217 467 A C 1.550 178.946 177.584 -0.314 0.000 1.175 467 A CA 0.818 52.709 52.037 -0.244 0.000 0.627 467 A CB -0.291 18.460 19.000 -0.415 0.000 0.815 467 A HN 0.400 nan 8.150 nan 0.000 0.443 468 F N 0.731 120.681 119.950 0.000 0.000 2.769 468 F HA 0.150 4.673 4.527 -0.006 0.000 0.304 468 F C 1.072 176.795 175.800 -0.128 0.000 1.158 468 F CA 0.542 58.513 58.000 -0.048 0.000 1.398 468 F CB -0.840 38.153 39.000 -0.012 0.000 1.094 468 F HN 0.326 nan 8.300 nan 0.000 0.553 469 M N -0.240 119.368 119.600 0.013 0.000 3.374 469 M HA -0.296 4.180 4.480 -0.006 0.000 0.163 469 M C -1.295 175.019 176.300 0.023 0.000 1.401 469 M CA 1.456 56.742 55.300 -0.022 0.000 0.887 469 M CB -2.074 30.445 32.600 -0.135 0.000 1.285 469 M HN 0.296 nan 8.290 nan 0.000 0.595 470 F N 0.973 120.961 119.950 0.065 0.000 3.719 470 F HA 0.174 4.698 4.527 -0.006 0.000 0.371 470 F C 0.787 176.615 175.800 0.047 0.000 1.007 470 F CA -1.440 56.576 58.000 0.027 0.000 1.585 470 F CB 0.465 39.438 39.000 -0.045 0.000 2.064 470 F HN 0.497 nan 8.300 nan 0.000 0.853 471 R N 0.207 120.845 120.500 0.229 0.000 2.257 471 R HA -0.255 4.081 4.340 -0.006 0.000 0.265 471 R C 0.931 177.302 176.300 0.119 0.000 1.191 471 R CA 1.969 58.158 56.100 0.149 0.000 1.010 471 R CB -0.684 29.686 30.300 0.117 0.000 0.883 471 R HN 0.514 nan 8.270 nan 0.000 0.473 472 E N -0.046 120.206 120.200 0.087 0.000 2.481 472 E HA 0.148 4.494 4.350 -0.006 0.000 0.195 472 E C 0.145 176.780 176.600 0.057 0.000 1.047 472 E CA 0.472 56.897 56.400 0.042 0.000 0.867 472 E CB 0.328 30.001 29.700 -0.046 0.000 0.858 472 E HN 0.345 nan 8.360 nan 0.000 0.513 473 I N 2.608 123.245 120.570 0.112 0.000 2.859 473 I HA 0.213 4.380 4.170 -0.006 0.000 0.296 473 I C -2.363 173.835 176.117 0.135 0.000 1.300 473 I CA -2.057 59.288 61.300 0.075 0.000 1.020 473 I CB 0.813 38.842 38.000 0.050 0.000 1.823 473 I HN -0.133 nan 8.210 nan 0.000 0.599 474 P HA 0.084 nan 4.420 nan 0.000 0.274 474 P C -0.908 176.532 177.300 0.234 0.000 1.231 474 P CA -0.176 63.037 63.100 0.188 0.000 0.790 474 P CB 1.211 32.979 31.700 0.113 0.000 0.951 475 F N 4.664 124.726 119.950 0.187 0.000 2.332 475 F HA 0.431 4.954 4.527 -0.006 0.000 0.368 475 F C -0.084 175.780 175.800 0.108 0.000 1.110 475 F CA -1.582 56.534 58.000 0.193 0.000 1.087 475 F CB 0.067 39.302 39.000 0.391 0.000 1.235 475 F HN 0.154 nan 8.300 nan 0.000 0.470 476 I N 6.269 126.491 120.570 -0.580 0.000 2.321 476 I HA 0.600 4.766 4.170 -0.006 0.000 0.291 476 I C -2.605 173.012 176.117 -0.834 0.000 0.998 476 I CA -2.227 58.728 61.300 -0.575 0.000 1.227 476 I CB 0.893 38.744 38.000 -0.248 0.000 1.368 476 I HN 0.336 nan 8.210 nan 0.000 0.466 477 P HA 0.068 nan 4.420 nan 0.000 0.272 477 P C -0.750 176.416 177.300 -0.223 0.000 1.243 477 P CA -0.183 62.651 63.100 -0.443 0.000 0.803 477 P CB 0.464 32.045 31.700 -0.197 0.000 0.974 478 V N -3.380 116.477 119.914 -0.095 0.000 2.888 478 V HA 0.511 4.627 4.120 -0.006 0.000 0.309 478 V C -0.825 175.210 176.094 -0.098 0.000 1.114 478 V CA -1.207 61.037 62.300 -0.093 0.000 0.940 478 V CB 2.181 33.970 31.823 -0.057 0.000 1.021 478 V HN 0.182 nan 8.190 nan 0.000 0.426 479 K N 2.719 123.033 120.400 -0.143 0.000 2.322 479 K HA 0.400 4.717 4.320 -0.006 0.000 0.283 479 K C 0.446 176.922 176.600 -0.208 0.000 1.042 479 K CA 0.136 56.331 56.287 -0.155 0.000 0.958 479 K CB 1.317 33.716 32.500 -0.168 0.000 0.984 479 K HN 1.045 nan 8.250 nan 0.000 0.473 480 S N 0.766 116.369 115.700 -0.162 0.000 2.565 480 S HA 0.425 4.891 4.470 -0.006 0.000 0.274 480 S C 0.313 174.781 174.600 -0.220 0.000 1.309 480 S CA -1.035 57.057 58.200 -0.179 0.000 1.043 480 S CB 1.162 64.296 63.200 -0.111 0.000 0.939 480 S HN 0.596 nan 8.310 nan 0.000 0.504 481 A N 2.653 125.305 122.820 -0.280 0.000 2.498 481 A HA 0.526 4.842 4.320 -0.006 0.000 0.239 481 A C 1.486 179.006 177.584 -0.107 0.000 1.068 481 A CA -0.152 51.729 52.037 -0.260 0.000 0.766 481 A CB -0.549 18.304 19.000 -0.246 0.000 1.003 481 A HN 1.179 nan 8.150 nan 0.000 0.497 482 G N 1.644 110.405 108.800 -0.065 0.000 2.421 482 G HA2 -0.283 3.673 3.960 -0.006 0.000 0.216 482 G HA3 -0.283 3.673 3.960 -0.006 0.000 0.216 482 G C 1.404 176.301 174.900 -0.006 0.000 1.171 482 G CA 1.089 46.172 45.100 -0.028 0.000 0.775 482 G HN 0.978 nan 8.290 nan 0.000 0.543 483 K N 0.309 120.723 120.400 0.023 0.000 2.442 483 K HA -0.081 4.235 4.320 -0.006 0.000 0.200 483 K C 1.395 177.995 176.600 -0.000 0.000 1.045 483 K CA 1.687 57.989 56.287 0.026 0.000 0.937 483 K CB -0.378 32.154 32.500 0.053 0.000 0.757 483 K HN 0.450 nan 8.250 nan 0.000 0.474 484 N N -0.112 118.573 118.700 -0.024 0.000 2.220 484 N HA 0.019 4.755 4.740 -0.006 0.000 0.195 484 N C 0.811 176.283 175.510 -0.064 0.000 1.123 484 N CA -0.337 52.671 53.050 -0.070 0.000 0.874 484 N CB 0.372 38.797 38.487 -0.104 0.000 0.995 484 N HN 0.122 nan 8.380 nan 0.000 0.498 485 Q N 0.866 120.644 119.800 -0.036 0.000 2.376 485 Q HA -0.100 4.237 4.340 -0.006 0.000 0.211 485 Q C 1.749 177.749 176.000 0.000 0.000 0.986 485 Q CA 0.874 56.664 55.803 -0.021 0.000 0.886 485 Q CB -0.202 28.528 28.738 -0.013 0.000 0.927 485 Q HN 0.449 nan 8.270 nan 0.000 0.457 486 A N 0.088 122.912 122.820 0.007 0.000 2.123 486 A HA 0.096 4.412 4.320 -0.006 0.000 0.214 486 A C 1.010 178.642 177.584 0.080 0.000 1.152 486 A CA -0.148 51.914 52.037 0.042 0.000 0.728 486 A CB -0.129 18.901 19.000 0.050 0.000 0.814 486 A HN 0.269 nan 8.150 nan 0.000 0.464 487 L N 1.312 122.550 121.223 0.025 0.000 2.540 487 L HA 0.205 4.542 4.340 -0.006 0.000 0.276 487 L C 0.530 177.543 176.870 0.239 0.000 1.212 487 L CA 0.385 55.255 54.840 0.050 0.000 0.893 487 L CB -0.083 41.772 42.059 -0.340 0.000 1.138 487 L HN 0.581 nan 8.230 nan 0.000 0.491 488 R N 3.076 123.898 120.500 0.538 0.000 2.690 488 R HA 0.556 4.892 4.340 -0.006 0.000 0.269 488 R C -1.676 174.913 176.300 0.481 0.000 1.037 488 R CA -0.949 55.409 56.100 0.430 0.000 0.877 488 R CB 1.450 31.883 30.300 0.221 0.000 1.255 488 R HN 0.297 nan 8.270 nan 0.000 0.467 489 F N 2.621 122.655 119.950 0.140 0.000 2.500 489 F HA 0.452 4.975 4.527 -0.006 0.000 0.349 489 F C -0.797 174.958 175.800 -0.076 0.000 1.127 489 F CA -0.799 57.160 58.000 -0.068 0.000 0.998 489 F CB 1.580 40.512 39.000 -0.113 0.000 1.237 489 F HN 0.505 nan 8.300 nan 0.000 0.439 490 V N 3.587 123.172 119.914 -0.548 0.000 2.617 490 V HA 0.682 4.798 4.120 -0.006 0.000 0.298 490 V C -1.402 174.316 176.094 -0.626 0.000 1.048 490 V CA -0.684 61.332 62.300 -0.474 0.000 0.964 490 V CB 1.619 33.303 31.823 -0.231 0.000 1.004 490 V HN 0.735 nan 8.190 nan 0.000 0.466 491 F N 2.400 122.017 119.950 -0.555 0.000 2.591 491 F HA 0.530 5.054 4.527 -0.005 0.000 0.309 491 F C 0.619 176.311 175.800 -0.179 0.000 1.098 491 F CA -1.299 56.458 58.000 -0.406 0.000 0.937 491 F CB 2.003 40.763 39.000 -0.400 0.000 1.250 491 F HN 0.769 nan 8.300 nan 0.000 0.447 492 K N 3.549 123.395 120.400 -0.923 0.000 3.139 492 K HA -0.194 4.123 4.320 -0.006 0.000 0.255 492 K C 0.555 176.979 176.600 -0.294 0.000 0.857 492 K CA 1.183 57.086 56.287 -0.639 0.000 0.628 492 K CB -1.390 30.637 32.500 -0.789 0.000 1.419 492 K HN 1.126 nan 8.250 nan 0.000 0.478 493 G N -0.215 108.458 108.800 -0.212 0.000 1.838 493 G HA2 -0.156 3.800 3.960 -0.006 0.000 0.067 493 G HA3 -0.156 3.800 3.960 -0.006 0.000 0.067 493 G C -0.945 173.897 174.900 -0.096 0.000 1.666 493 G CA -0.069 44.957 45.100 -0.123 0.000 1.135 493 G HN 0.278 nan 8.290 nan 0.000 0.333 494 E N 1.587 121.745 120.200 -0.070 0.000 2.303 494 E HA 0.561 4.908 4.350 -0.006 0.000 0.254 494 E C 0.087 176.648 176.600 -0.065 0.000 0.979 494 E CA 0.221 56.588 56.400 -0.055 0.000 0.843 494 E CB 0.395 30.078 29.700 -0.028 0.000 1.245 494 E HN 0.821 nan 8.360 nan 0.000 0.413 495 T N -0.357 114.171 114.554 -0.044 0.000 2.916 495 T HA 0.206 4.552 4.350 -0.006 0.000 0.303 495 T C 0.159 174.860 174.700 0.002 0.000 1.025 495 T CA -0.486 61.594 62.100 -0.034 0.000 1.142 495 T CB 0.511 69.391 68.868 0.020 0.000 0.947 495 T HN 0.315 nan 8.240 nan 0.000 0.544 496 Q N 2.500 122.309 119.800 0.015 0.000 2.221 496 Q HA 0.476 4.812 4.340 -0.006 0.000 0.242 496 Q C -2.185 173.914 176.000 0.165 0.000 0.940 496 Q CA -1.959 53.897 55.803 0.088 0.000 0.896 496 Q CB 0.650 29.446 28.738 0.096 0.000 1.226 496 Q HN 0.576 nan 8.270 nan 0.000 0.463 497 P HA 0.027 nan 4.420 nan 0.000 0.271 497 P C -0.564 176.917 177.300 0.300 0.000 1.216 497 P CA 0.105 63.314 63.100 0.182 0.000 0.776 497 P CB 1.210 32.986 31.700 0.128 0.000 0.881 498 A N 4.021 126.964 122.820 0.205 0.000 1.948 498 A HA -0.134 4.182 4.320 -0.006 0.000 0.220 498 A C 1.317 178.922 177.584 0.035 0.000 1.177 498 A CA 1.377 53.517 52.037 0.171 0.000 0.636 498 A CB -0.535 18.517 19.000 0.088 0.000 0.815 498 A HN 0.687 nan 8.150 nan 0.000 0.449 499 M N -0.791 118.823 119.600 0.024 0.000 2.326 499 M HA 0.463 4.939 4.480 -0.006 0.000 0.306 499 M C -1.303 174.997 176.300 0.000 0.000 1.054 499 M CA -0.479 54.760 55.300 -0.102 0.000 0.922 499 M CB 1.679 34.242 32.600 -0.061 0.000 1.632 499 M HN 0.098 nan 8.290 nan 0.000 0.436 500 K N 5.348 125.737 120.400 -0.018 0.000 2.507 500 K HA 0.505 4.821 4.320 -0.006 0.000 0.252 500 K C -1.816 174.762 176.600 -0.035 0.000 0.943 500 K CA -0.474 55.829 56.287 0.028 0.000 0.808 500 K CB 1.910 34.520 32.500 0.183 0.000 1.142 500 K HN 0.834 nan 8.250 nan 0.000 0.426 501 M N 3.947 123.521 119.600 -0.043 0.000 2.113 501 M HA 0.309 4.786 4.480 -0.006 0.000 0.352 501 M C -1.482 174.824 176.300 0.009 0.000 1.170 501 M CA -0.510 54.820 55.300 0.049 0.000 1.053 501 M CB 0.745 33.400 32.600 0.091 0.000 1.601 501 M HN 0.449 nan 8.290 nan 0.000 0.459 502 W N 5.729 127.119 121.300 0.150 0.000 2.314 502 W HA 0.522 5.178 4.660 -0.007 0.000 0.310 502 W C -1.085 175.576 176.519 0.237 0.000 1.075 502 W CA -0.526 56.950 57.345 0.220 0.000 1.253 502 W CB 0.521 30.125 29.460 0.240 0.000 1.238 502 W HN 0.362 nan 8.180 nan 0.000 0.440 503 L N 4.786 126.258 121.223 0.416 0.000 2.287 503 L HA 0.524 4.860 4.340 -0.006 0.000 0.287 503 L C -0.034 177.010 176.870 0.290 0.000 1.022 503 L CA -0.716 54.306 54.840 0.304 0.000 0.814 503 L CB 0.898 43.085 42.059 0.213 0.000 1.217 503 L HN 0.418 nan 8.230 nan 0.000 0.420 504 M N 2.906 122.652 119.600 0.244 0.000 2.226 504 M HA 0.191 4.667 4.480 -0.006 0.000 0.324 504 M C 0.310 176.704 176.300 0.156 0.000 1.112 504 M CA 0.265 55.691 55.300 0.211 0.000 1.176 504 M CB 0.651 33.374 32.600 0.206 0.000 1.430 504 M HN 0.644 nan 8.290 nan 0.000 0.462 505 E N 0.353 120.636 120.200 0.139 0.000 2.359 505 E HA 0.635 4.982 4.350 -0.006 0.000 0.255 505 E C 0.079 176.726 176.600 0.078 0.000 1.191 505 E CA -0.089 56.375 56.400 0.108 0.000 0.952 505 E CB 0.884 30.647 29.700 0.105 0.000 1.152 505 E HN 0.866 nan 8.360 nan 0.000 0.496 506 G N 0.175 109.010 108.800 0.060 0.000 2.710 506 G HA2 -0.229 3.727 3.960 -0.006 0.000 0.668 506 G HA3 -0.229 3.727 3.960 -0.006 0.000 0.668 506 G C 0.036 174.954 174.900 0.029 0.000 1.320 506 G CA -0.064 45.062 45.100 0.044 0.000 0.860 506 G HN 0.591 nan 8.290 nan 0.000 0.538 507 E N -0.774 119.440 120.200 0.023 0.000 2.175 507 E HA 0.259 4.606 4.350 -0.006 0.000 0.195 507 E C 1.399 178.008 176.600 0.015 0.000 0.934 507 E CA 0.631 57.039 56.400 0.013 0.000 0.870 507 E CB 0.473 30.179 29.700 0.010 0.000 0.838 507 E HN 0.446 nan 8.360 nan 0.000 0.474 508 S N -0.401 115.312 115.700 0.022 0.000 2.690 508 S HA 0.497 4.963 4.470 -0.006 0.000 0.291 508 S C -1.008 173.613 174.600 0.034 0.000 1.138 508 S CA -0.633 57.583 58.200 0.026 0.000 1.013 508 S CB 1.602 64.816 63.200 0.024 0.000 1.053 508 S HN 0.305 nan 8.310 nan 0.000 0.539 509 C N 2.967 122.289 119.300 0.037 0.000 3.018 509 C HA 0.637 5.093 4.460 -0.006 0.000 0.413 509 C C 0.219 175.238 174.990 0.050 0.000 1.015 509 C CA -0.157 58.891 59.018 0.050 0.000 1.233 509 C CB -0.057 27.716 27.740 0.056 0.000 1.630 509 C HN 1.078 nan 8.230 nan 0.000 0.532 510 G N 3.281 112.110 108.800 0.048 0.000 2.504 510 G HA2 0.465 4.422 3.960 -0.006 0.000 0.288 510 G HA3 0.465 4.422 3.960 -0.006 0.000 0.288 510 G C 0.845 175.776 174.900 0.051 0.000 1.182 510 G CA -0.012 45.108 45.100 0.032 0.000 0.894 510 G HN 1.008 nan 8.290 nan 0.000 0.521 511 V N 1.853 121.775 119.914 0.013 0.000 2.568 511 V HA -0.135 3.981 4.120 -0.006 0.000 0.253 511 V C 2.903 178.983 176.094 -0.024 0.000 1.072 511 V CA 2.317 64.624 62.300 0.012 0.000 1.084 511 V CB -1.056 30.725 31.823 -0.071 0.000 0.676 511 V HN 0.840 nan 8.190 nan 0.000 0.469 512 G N 0.100 108.880 108.800 -0.033 0.000 2.524 512 G HA2 -0.253 3.703 3.960 -0.006 0.000 0.215 512 G HA3 -0.253 3.703 3.960 -0.006 0.000 0.215 512 G C 1.100 175.977 174.900 -0.039 0.000 1.239 512 G CA 1.162 46.228 45.100 -0.056 0.000 0.798 512 G HN 0.492 nan 8.290 nan 0.000 0.557 513 D N -0.352 120.055 120.400 0.012 0.000 2.156 513 D HA -0.192 4.444 4.640 -0.006 0.000 0.190 513 D C 1.539 177.881 176.300 0.070 0.000 0.998 513 D CA 1.035 55.060 54.000 0.042 0.000 0.842 513 D CB -0.635 40.208 40.800 0.072 0.000 0.974 513 D HN 0.346 nan 8.370 nan 0.000 0.447 514 Y N 1.116 121.419 120.300 0.005 0.000 3.512 514 Y HA -0.144 4.402 4.550 -0.006 0.000 0.367 514 Y C 0.839 176.744 175.900 0.009 0.000 0.932 514 Y CA 0.528 58.655 58.100 0.044 0.000 2.099 514 Y CB -0.692 37.806 38.460 0.063 0.000 2.392 514 Y HN 0.083 nan 8.280 nan 0.000 0.399 515 Q N -1.395 118.273 119.800 -0.219 0.000 2.106 515 Q HA -0.083 4.253 4.340 -0.006 0.000 0.156 515 Q C 1.873 177.797 176.000 -0.127 0.000 0.650 515 Q CA 0.600 56.191 55.803 -0.355 0.000 0.897 515 Q CB -0.132 28.239 28.738 -0.610 0.000 1.128 515 Q HN 0.358 nan 8.270 nan 0.000 0.316 516 S N 1.130 116.763 115.700 -0.112 0.000 2.359 516 S HA -0.194 4.272 4.470 -0.006 0.000 0.224 516 S C 1.932 176.507 174.600 -0.042 0.000 1.035 516 S CA 2.294 60.452 58.200 -0.071 0.000 1.018 516 S CB -0.406 62.761 63.200 -0.056 0.000 0.876 516 S HN 0.558 nan 8.310 nan 0.000 0.448 517 T N 0.865 115.411 114.554 -0.014 0.000 2.857 517 T HA 0.009 4.355 4.350 -0.006 0.000 0.266 517 T C 1.803 176.506 174.700 0.005 0.000 1.048 517 T CA 0.900 63.006 62.100 0.010 0.000 1.139 517 T CB -0.244 68.661 68.868 0.061 0.000 0.874 517 T HN 0.064 nan 8.240 nan 0.000 0.455 518 M N 1.084 120.696 119.600 0.021 0.000 2.200 518 M HA 0.287 4.763 4.480 -0.006 0.000 0.265 518 M C 2.728 178.956 176.300 -0.121 0.000 1.066 518 M CA 1.268 56.572 55.300 0.005 0.000 1.127 518 M CB -1.598 31.003 32.600 0.002 0.000 1.379 518 M HN 0.487 nan 8.290 nan 0.000 0.420 519 A N -0.616 122.190 122.820 -0.024 0.000 1.902 519 A HA -0.213 4.103 4.320 -0.006 0.000 0.217 519 A C 2.149 179.578 177.584 -0.258 0.000 1.181 519 A CA 1.658 53.611 52.037 -0.140 0.000 0.623 519 A CB -0.740 18.270 19.000 0.017 0.000 0.818 519 A HN 0.560 nan 8.150 nan 0.000 0.443 520 Q N -0.297 119.397 119.800 -0.176 0.000 1.985 520 Q HA -0.183 4.153 4.340 -0.006 0.000 0.207 520 Q C 2.139 177.972 176.000 -0.279 0.000 0.996 520 Q CA 2.467 58.158 55.803 -0.187 0.000 0.851 520 Q CB -0.384 28.288 28.738 -0.111 0.000 0.921 520 Q HN 0.414 nan 8.270 nan 0.000 0.418 521 V N 0.542 120.300 119.914 -0.261 0.000 2.233 521 V HA -0.413 3.703 4.120 -0.006 0.000 0.252 521 V C 2.552 178.234 176.094 -0.686 0.000 1.063 521 V CA 2.038 64.127 62.300 -0.352 0.000 1.032 521 V CB -0.926 30.765 31.823 -0.219 0.000 0.645 521 V HN 0.703 nan 8.190 nan 0.000 0.446 522 C N 0.065 118.790 119.300 -0.958 0.000 2.393 522 C HA -0.205 4.251 4.460 -0.006 0.000 0.276 522 C C 3.088 177.361 174.990 -1.195 0.000 1.215 522 C CA 1.175 59.155 59.018 -1.729 0.000 1.743 522 C CB -1.420 25.346 27.740 -1.624 0.000 2.044 522 C HN 0.639 nan 8.230 nan 0.000 0.464 523 A N 0.720 123.086 122.820 -0.757 0.000 1.869 523 A HA -0.071 4.245 4.320 -0.006 0.000 0.218 523 A C 2.559 179.838 177.584 -0.509 0.000 1.203 523 A CA 3.167 54.875 52.037 -0.548 0.000 0.638 523 A CB -1.522 17.260 19.000 -0.364 0.000 0.831 523 A HN 1.058 nan 8.150 nan 0.000 0.450 524 A N -1.463 121.093 122.820 -0.439 0.000 1.892 524 A HA -0.259 4.057 4.320 -0.006 0.000 0.218 524 A C 2.074 179.412 177.584 -0.410 0.000 1.188 524 A CA 1.944 53.780 52.037 -0.336 0.000 0.631 524 A CB -0.610 18.238 19.000 -0.253 0.000 0.822 524 A HN 0.544 nan 8.150 nan 0.000 0.447 525 Q N -1.034 118.401 119.800 -0.608 0.000 2.291 525 Q HA -0.107 4.229 4.340 -0.006 0.000 0.206 525 Q C 1.944 177.323 176.000 -1.035 0.000 0.976 525 Q CA 0.977 56.329 55.803 -0.751 0.000 0.875 525 Q CB -0.426 27.845 28.738 -0.777 0.000 0.927 525 Q HN 0.665 nan 8.270 nan 0.000 0.450 526 I N 0.728 120.782 120.570 -0.860 0.000 2.193 526 I HA -0.245 3.921 4.170 -0.006 0.000 0.240 526 I C 2.364 178.240 176.117 -0.402 0.000 1.084 526 I CA 1.281 62.174 61.300 -0.680 0.000 1.365 526 I CB -0.495 37.156 38.000 -0.582 0.000 1.064 526 I HN 0.178 nan 8.210 nan 0.000 0.410 527 R N 0.415 120.703 120.500 -0.353 0.000 2.120 527 R HA -0.134 4.202 4.340 -0.006 0.000 0.234 527 R C 1.615 177.904 176.300 -0.018 0.000 1.123 527 R CA 1.716 57.691 56.100 -0.207 0.000 0.975 527 R CB -1.340 28.883 30.300 -0.128 0.000 0.866 527 R HN 0.194 nan 8.270 nan 0.000 0.446 528 D N -0.298 120.067 120.400 -0.059 0.000 2.144 528 D HA -0.132 4.505 4.640 -0.006 0.000 0.199 528 D C 1.163 177.710 176.300 0.411 0.000 0.984 528 D CA 1.134 55.221 54.000 0.145 0.000 0.834 528 D CB -0.142 40.690 40.800 0.053 0.000 0.955 528 D HN 0.308 nan 8.370 nan 0.000 0.465 529 W N 0.595 121.944 121.300 0.083 0.000 2.443 529 W HA 0.149 4.804 4.660 -0.007 0.000 0.296 529 W C 2.211 178.856 176.519 0.209 0.000 1.202 529 W CA -0.025 57.414 57.345 0.158 0.000 1.312 529 W CB -1.217 28.267 29.460 0.041 0.000 1.120 529 W HN 0.031 nan 8.180 nan 0.000 0.536 530 L N 0.245 121.653 121.223 0.310 0.000 1.970 530 L HA -0.279 4.057 4.340 -0.006 0.000 0.212 530 L C 2.611 179.755 176.870 0.457 0.000 1.071 530 L CA 1.656 56.631 54.840 0.225 0.000 0.751 530 L CB -1.219 40.643 42.059 -0.327 0.000 0.889 530 L HN 0.006 nan 8.230 nan 0.000 0.432 531 Q N -0.300 119.777 119.800 0.462 0.000 2.061 531 Q HA -0.213 4.123 4.340 -0.006 0.000 0.204 531 Q C 2.204 178.375 176.000 0.285 0.000 0.984 531 Q CA 1.710 57.762 55.803 0.414 0.000 0.846 531 Q CB -0.307 28.621 28.738 0.317 0.000 0.902 531 Q HN 0.572 nan 8.270 nan 0.000 0.421 532 A N 0.372 123.376 122.820 0.308 0.000 2.248 532 A HA -0.000 4.316 4.320 -0.006 0.000 0.210 532 A C 1.923 179.627 177.584 0.200 0.000 1.174 532 A CA 1.167 53.333 52.037 0.215 0.000 0.750 532 A CB -0.472 18.689 19.000 0.268 0.000 0.780 532 A HN 0.469 nan 8.150 nan 0.000 0.478 533 G N -0.540 108.418 108.800 0.263 0.000 2.459 533 G HA2 -0.067 3.889 3.960 -0.006 0.000 0.213 533 G HA3 -0.067 3.889 3.960 -0.006 0.000 0.213 533 G C 1.455 176.448 174.900 0.155 0.000 1.155 533 G CA 0.620 45.847 45.100 0.212 0.000 0.811 533 G HN 0.648 nan 8.290 nan 0.000 0.534 534 Q N 0.047 119.951 119.800 0.174 0.000 2.297 534 Q HA 0.064 4.400 4.340 -0.006 0.000 0.204 534 Q C 1.844 177.880 176.000 0.059 0.000 0.962 534 Q CA 0.551 56.417 55.803 0.106 0.000 0.879 534 Q CB 0.014 28.799 28.738 0.079 0.000 0.947 534 Q HN 0.278 nan 8.270 nan 0.000 0.462 535 R N 0.342 120.878 120.500 0.059 0.000 2.391 535 R HA 0.142 4.478 4.340 -0.006 0.000 0.249 535 R C 0.662 176.965 176.300 0.004 0.000 0.957 535 R CA 0.394 56.507 56.100 0.022 0.000 1.093 535 R CB 0.203 30.511 30.300 0.014 0.000 1.156 535 R HN 0.330 nan 8.270 nan 0.000 0.526 536 G N 1.548 110.359 108.800 0.018 0.000 2.321 536 G HA2 -0.323 3.633 3.960 -0.006 0.000 0.287 536 G HA3 -0.323 3.633 3.960 -0.006 0.000 0.287 536 G C 0.347 175.226 174.900 -0.035 0.000 1.018 536 G CA 0.775 45.874 45.100 -0.002 0.000 0.855 536 G HN 0.550 nan 8.290 nan 0.000 0.507 537 E N -0.840 119.333 120.200 -0.045 0.000 2.526 537 E HA 0.437 4.783 4.350 -0.006 0.000 0.208 537 E C 1.041 177.563 176.600 -0.130 0.000 0.997 537 E CA 0.441 56.766 56.400 -0.126 0.000 0.961 537 E CB 0.859 30.440 29.700 -0.199 0.000 1.030 537 E HN 0.710 nan 8.360 nan 0.000 0.483 538 A N 2.126 124.943 122.820 -0.005 0.000 2.293 538 A HA 0.586 4.902 4.320 -0.006 0.000 0.312 538 A C -0.704 176.858 177.584 -0.036 0.000 1.309 538 A CA -0.483 51.587 52.037 0.056 0.000 0.839 538 A CB 0.160 19.340 19.000 0.300 0.000 1.155 538 A HN 0.092 nan 8.150 nan 0.000 0.501 539 L N 2.575 123.692 121.223 -0.176 0.000 2.381 539 L HA 0.528 4.864 4.340 -0.006 0.000 0.268 539 L C -0.717 176.018 176.870 -0.225 0.000 0.997 539 L CA -0.572 54.175 54.840 -0.155 0.000 0.818 539 L CB 2.180 44.161 42.059 -0.129 0.000 1.310 539 L HN 0.527 nan 8.230 nan 0.000 0.416 540 L N 3.768 124.781 121.223 -0.350 0.000 2.257 540 L HA 0.549 4.885 4.340 -0.006 0.000 0.290 540 L C -0.495 176.027 176.870 -0.581 0.000 1.044 540 L CA -0.058 54.227 54.840 -0.925 0.000 0.810 540 L CB 1.086 42.379 42.059 -1.277 0.000 1.193 540 L HN 0.579 nan 8.230 nan 0.000 0.425 541 M N 3.525 122.958 119.600 -0.278 0.000 2.393 541 M HA 0.327 4.804 4.480 -0.006 0.000 0.316 541 M C -0.427 176.171 176.300 0.496 0.000 1.087 541 M CA -0.517 54.870 55.300 0.146 0.000 0.937 541 M CB 2.196 34.846 32.600 0.083 0.000 1.668 541 M HN 0.302 nan 8.290 nan 0.000 0.438 542 N N 1.879 120.791 118.700 0.355 0.000 2.955 542 N HA 0.392 5.128 4.740 -0.006 0.000 0.242 542 N C 0.436 176.038 175.510 0.152 0.000 1.123 542 N CA 1.049 54.257 53.050 0.264 0.000 0.949 542 N CB 0.382 38.996 38.487 0.211 0.000 1.214 542 N HN 0.955 nan 8.380 nan 0.000 0.504 543 G N 3.146 112.028 108.800 0.137 0.000 4.026 543 G HA2 -0.332 3.624 3.960 -0.006 0.000 0.309 543 G HA3 -0.332 3.624 3.960 -0.006 0.000 0.309 543 G C 0.297 175.240 174.900 0.072 0.000 1.411 543 G CA 0.486 45.638 45.100 0.087 0.000 1.037 543 G HN 0.522 nan 8.290 nan 0.000 0.687 544 D N 2.423 122.859 120.400 0.061 0.000 2.501 544 D HA 0.433 5.070 4.640 -0.006 0.000 0.224 544 D C -0.299 176.028 176.300 0.046 0.000 1.202 544 D CA 0.112 54.139 54.000 0.045 0.000 0.829 544 D CB 0.304 41.124 40.800 0.033 0.000 1.023 544 D HN 0.494 nan 8.370 nan 0.000 0.499 545 D N 0.034 120.474 120.400 0.066 0.000 2.299 545 D HA 0.807 5.444 4.640 -0.006 0.000 0.243 545 D C -0.355 175.983 176.300 0.064 0.000 0.982 545 D CA -0.752 53.286 54.000 0.065 0.000 0.924 545 D CB 2.005 42.855 40.800 0.083 0.000 1.238 545 D HN -0.007 nan 8.370 nan 0.000 0.484 546 A N 0.530 123.375 122.820 0.042 0.000 2.564 546 A HA 0.864 5.181 4.320 -0.006 0.000 0.291 546 A C -1.581 176.002 177.584 -0.000 0.000 1.102 546 A CA -0.928 51.114 52.037 0.008 0.000 0.660 546 A CB 1.752 20.744 19.000 -0.013 0.000 1.283 546 A HN 0.661 nan 8.150 nan 0.000 0.430 547 R N 0.136 120.616 120.500 -0.034 0.000 2.664 547 R HA 0.504 4.840 4.340 -0.006 0.000 0.260 547 R C -3.436 172.846 176.300 -0.031 0.000 1.062 547 R CA -1.202 54.888 56.100 -0.016 0.000 0.902 547 R CB 2.152 32.454 30.300 0.003 0.000 1.258 547 R HN 0.507 nan 8.270 nan 0.000 0.465 548 P HA 0.039 nan 4.420 nan 0.000 0.276 548 P C 0.395 177.726 177.300 0.052 0.000 1.235 548 P CA -0.336 62.785 63.100 0.035 0.000 0.772 548 P CB 1.283 33.020 31.700 0.061 0.000 0.871 549 V N 2.609 122.566 119.914 0.071 0.000 2.655 549 V HA 0.275 4.391 4.120 -0.006 0.000 0.300 549 V C 0.307 176.482 176.094 0.135 0.000 1.044 549 V CA -0.144 62.204 62.300 0.079 0.000 1.095 549 V CB -0.253 31.635 31.823 0.108 0.000 0.952 549 V HN 0.451 nan 8.190 nan 0.000 0.485 550 R N 3.275 123.848 120.500 0.122 0.000 2.803 550 R HA 0.713 5.050 4.340 -0.006 0.000 0.276 550 R C 1.315 177.691 176.300 0.127 0.000 0.978 550 R CA -0.420 55.775 56.100 0.158 0.000 0.939 550 R CB 1.898 32.297 30.300 0.166 0.000 1.179 550 R HN 0.827 nan 8.270 nan 0.000 0.472 551 A N 1.148 124.041 122.820 0.121 0.000 1.954 551 A HA -0.272 4.044 4.320 -0.006 0.000 0.222 551 A C 1.916 179.546 177.584 0.077 0.000 1.199 551 A CA 2.619 54.690 52.037 0.057 0.000 0.657 551 A CB -0.869 18.168 19.000 0.062 0.000 0.823 551 A HN 0.827 nan 8.150 nan 0.000 0.463 552 S N -0.776 114.974 115.700 0.083 0.000 2.584 552 S HA -0.104 4.363 4.470 -0.006 0.000 0.240 552 S C 0.752 175.400 174.600 0.080 0.000 0.975 552 S CA 1.363 59.587 58.200 0.040 0.000 0.949 552 S CB -0.316 62.851 63.200 -0.055 0.000 0.761 552 S HN 0.574 nan 8.310 nan 0.000 0.536 553 D N 0.268 120.729 120.400 0.103 0.000 2.423 553 D HA 0.338 4.974 4.640 -0.006 0.000 0.212 553 D C 0.040 176.440 176.300 0.167 0.000 1.060 553 D CA -0.090 53.982 54.000 0.120 0.000 0.872 553 D CB -0.007 40.832 40.800 0.066 0.000 1.012 553 D HN 0.361 nan 8.370 nan 0.000 0.503 554 I N 0.351 121.020 120.570 0.164 0.000 2.612 554 I HA 0.279 4.445 4.170 -0.006 0.000 0.295 554 I C 0.278 176.478 176.117 0.138 0.000 1.011 554 I CA -0.193 61.224 61.300 0.196 0.000 1.326 554 I CB 1.478 39.583 38.000 0.176 0.000 1.427 554 I HN -0.279 nan 8.210 nan 0.000 0.537 555 S N 3.872 119.623 115.700 0.085 0.000 2.603 555 S HA 0.619 5.085 4.470 -0.006 0.000 0.274 555 S C -1.429 173.113 174.600 -0.097 0.000 1.168 555 S CA -0.577 57.549 58.200 -0.123 0.000 0.963 555 S CB 1.093 63.970 63.200 -0.539 0.000 1.078 555 S HN 0.242 nan 8.310 nan 0.000 0.477 556 V N 6.421 126.263 119.914 -0.121 0.000 2.293 556 V HA 0.402 4.518 4.120 -0.006 0.000 0.275 556 V C 0.002 176.038 176.094 -0.097 0.000 1.021 556 V CA -0.605 61.644 62.300 -0.085 0.000 0.815 556 V CB 0.938 32.679 31.823 -0.138 0.000 1.025 556 V HN 0.813 nan 8.190 nan 0.000 0.448 557 L N 4.985 126.155 121.223 -0.089 0.000 2.426 557 L HA 0.503 4.840 4.340 -0.006 0.000 0.271 557 L C -0.053 176.806 176.870 -0.019 0.000 1.169 557 L CA 0.217 55.023 54.840 -0.057 0.000 0.836 557 L CB 1.293 43.319 42.059 -0.054 0.000 1.112 557 L HN 0.369 nan 8.230 nan 0.000 0.465 558 V N 3.792 123.736 119.914 0.049 0.000 3.114 558 V HA 0.396 4.513 4.120 -0.006 0.000 0.308 558 V C 0.421 176.603 176.094 0.147 0.000 1.168 558 V CA -0.581 61.780 62.300 0.101 0.000 1.015 558 V CB 2.671 34.563 31.823 0.115 0.000 1.050 558 V HN 0.741 nan 8.190 nan 0.000 0.433 559 R N 1.026 121.622 120.500 0.162 0.000 2.223 559 R HA 0.276 4.612 4.340 -0.006 0.000 0.198 559 R C 0.363 176.718 176.300 0.092 0.000 0.984 559 R CA 0.983 57.166 56.100 0.139 0.000 1.018 559 R CB 0.635 31.014 30.300 0.131 0.000 0.945 559 R HN 0.845 nan 8.270 nan 0.000 0.479 560 S N -1.826 113.924 115.700 0.083 0.000 2.588 560 S HA 0.326 4.792 4.470 -0.006 0.000 0.269 560 S C 0.396 175.001 174.600 0.009 0.000 1.157 560 S CA -0.893 57.328 58.200 0.035 0.000 0.824 560 S CB 2.460 65.648 63.200 -0.019 0.000 1.126 560 S HN -0.026 nan 8.310 nan 0.000 0.464 561 R N 1.049 121.547 120.500 -0.003 0.000 2.136 561 R HA -0.206 4.130 4.340 -0.006 0.000 0.242 561 R C 2.180 178.344 176.300 -0.228 0.000 1.131 561 R CA 2.833 58.860 56.100 -0.121 0.000 0.937 561 R CB -1.110 29.164 30.300 -0.043 0.000 0.863 561 R HN 0.825 nan 8.270 nan 0.000 0.435 562 Q N -0.059 119.657 119.800 -0.141 0.000 1.998 562 Q HA -0.246 4.090 4.340 -0.006 0.000 0.209 562 Q C 2.151 178.065 176.000 -0.144 0.000 1.002 562 Q CA 2.284 58.000 55.803 -0.145 0.000 0.858 562 Q CB -0.328 28.331 28.738 -0.131 0.000 0.932 562 Q HN 0.523 nan 8.270 nan 0.000 0.416 563 E N 0.485 120.627 120.200 -0.096 0.000 2.136 563 E HA -0.305 4.041 4.350 -0.006 0.000 0.202 563 E C 2.003 178.643 176.600 0.066 0.000 1.019 563 E CA 1.126 57.552 56.400 0.042 0.000 0.819 563 E CB -0.299 29.517 29.700 0.194 0.000 0.739 563 E HN 0.420 nan 8.360 nan 0.000 0.458 564 A N 1.611 124.351 122.820 -0.133 0.000 1.865 564 A HA -0.190 4.126 4.320 -0.006 0.000 0.217 564 A C 2.467 179.894 177.584 -0.261 0.000 1.191 564 A CA 2.122 53.973 52.037 -0.310 0.000 0.623 564 A CB -0.912 17.476 19.000 -1.019 0.000 0.826 564 A HN 0.326 nan 8.150 nan 0.000 0.444 565 A N -1.389 121.264 122.820 -0.278 0.000 1.873 565 A HA -0.275 4.041 4.320 -0.006 0.000 0.218 565 A C 2.139 179.650 177.584 -0.122 0.000 1.193 565 A CA 1.918 53.841 52.037 -0.189 0.000 0.629 565 A CB -0.741 18.159 19.000 -0.166 0.000 0.826 565 A HN 0.546 nan 8.150 nan 0.000 0.447 566 Q N -0.468 119.276 119.800 -0.093 0.000 2.118 566 Q HA -0.199 4.137 4.340 -0.006 0.000 0.211 566 Q C 2.335 178.320 176.000 -0.027 0.000 0.998 566 Q CA 2.149 57.920 55.803 -0.054 0.000 0.872 566 Q CB -0.635 28.076 28.738 -0.044 0.000 0.925 566 Q HN 0.541 nan 8.270 nan 0.000 0.414 567 V N 0.290 120.193 119.914 -0.018 0.000 2.283 567 V HA -0.222 3.894 4.120 -0.006 0.000 0.243 567 V C 2.472 178.485 176.094 -0.135 0.000 1.039 567 V CA 1.900 64.138 62.300 -0.104 0.000 1.016 567 V CB -0.651 31.082 31.823 -0.150 0.000 0.650 567 V HN 0.329 nan 8.190 nan 0.000 0.449 568 R N 0.144 120.571 120.500 -0.121 0.000 2.154 568 R HA -0.238 4.098 4.340 -0.006 0.000 0.248 568 R C 1.900 178.141 176.300 -0.098 0.000 1.155 568 R CA 2.267 58.302 56.100 -0.107 0.000 0.979 568 R CB -0.311 29.928 30.300 -0.101 0.000 0.869 568 R HN 0.574 nan 8.270 nan 0.000 0.452 569 D N -0.145 120.198 120.400 -0.095 0.000 2.091 569 D HA -0.073 4.563 4.640 -0.006 0.000 0.199 569 D C 1.740 177.984 176.300 -0.092 0.000 0.980 569 D CA 1.573 55.523 54.000 -0.083 0.000 0.831 569 D CB -0.401 40.353 40.800 -0.077 0.000 0.987 569 D HN 0.354 nan 8.370 nan 0.000 0.460 570 A N 0.331 123.084 122.820 -0.111 0.000 1.972 570 A HA -0.109 4.208 4.320 -0.006 0.000 0.219 570 A C 2.068 179.560 177.584 -0.153 0.000 1.169 570 A CA 0.843 52.801 52.037 -0.130 0.000 0.635 570 A CB -0.542 18.363 19.000 -0.157 0.000 0.810 570 A HN 0.137 nan 8.150 nan 0.000 0.446 571 L N -0.976 120.146 121.223 -0.168 0.000 1.973 571 L HA -0.081 4.256 4.340 -0.006 0.000 0.208 571 L C 2.620 179.414 176.870 -0.126 0.000 1.073 571 L CA 2.522 57.251 54.840 -0.185 0.000 0.746 571 L CB -1.198 40.747 42.059 -0.191 0.000 0.891 571 L HN 0.326 nan 8.230 nan 0.000 0.433 572 T N -0.508 113.990 114.554 -0.093 0.000 2.869 572 T HA -0.204 4.142 4.350 -0.006 0.000 0.270 572 T C 1.860 176.537 174.700 -0.039 0.000 1.082 572 T CA 1.073 63.142 62.100 -0.052 0.000 1.123 572 T CB -0.298 68.544 68.868 -0.043 0.000 0.856 572 T HN 0.213 nan 8.240 nan 0.000 0.499 573 L N 0.044 121.233 121.223 -0.057 0.000 2.395 573 L HA 0.208 4.544 4.340 -0.006 0.000 0.218 573 L C 0.889 177.739 176.870 -0.034 0.000 1.130 573 L CA 0.968 55.781 54.840 -0.045 0.000 0.826 573 L CB 0.087 42.110 42.059 -0.060 0.000 0.941 573 L HN 0.284 nan 8.230 nan 0.000 0.451 574 L N -0.606 120.590 121.223 -0.045 0.000 3.017 574 L HA 0.195 4.532 4.340 -0.006 0.000 0.255 574 L C 0.447 177.343 176.870 0.043 0.000 1.247 574 L CA -0.083 54.745 54.840 -0.020 0.000 1.038 574 L CB 0.093 42.106 42.059 -0.076 0.000 1.380 574 L HN 0.182 nan 8.230 nan 0.000 0.548 575 E N -0.104 120.131 120.200 0.058 0.000 3.146 575 E HA -0.254 4.092 4.350 -0.006 0.000 0.277 575 E C 0.260 176.977 176.600 0.195 0.000 1.003 575 E CA 0.674 57.159 56.400 0.141 0.000 0.861 575 E CB -1.170 28.651 29.700 0.202 0.000 1.436 575 E HN 0.540 nan 8.360 nan 0.000 0.455 576 I N 2.714 123.266 120.570 -0.029 0.000 2.294 576 I HA 0.149 4.315 4.170 -0.006 0.000 0.295 576 I C -1.579 174.466 176.117 -0.120 0.000 1.098 576 I CA -1.806 59.338 61.300 -0.259 0.000 1.277 576 I CB 0.052 37.798 38.000 -0.423 0.000 1.434 576 I HN -0.175 nan 8.210 nan 0.000 0.498 577 P HA 0.105 nan 4.420 nan 0.000 0.269 577 P C -0.612 176.678 177.300 -0.017 0.000 1.209 577 P CA 0.023 63.135 63.100 0.021 0.000 0.776 577 P CB 1.195 32.952 31.700 0.096 0.000 0.876 578 S N 0.844 116.541 115.700 -0.005 0.000 2.671 578 S HA 0.681 5.148 4.470 -0.006 0.000 0.277 578 S C -0.987 173.632 174.600 0.032 0.000 1.165 578 S CA -0.861 57.337 58.200 -0.003 0.000 0.822 578 S CB 1.690 64.866 63.200 -0.040 0.000 1.150 578 S HN 0.453 nan 8.310 nan 0.000 0.479 579 V N 1.351 121.296 119.914 0.052 0.000 2.711 579 V HA 0.519 4.635 4.120 -0.006 0.000 0.304 579 V C -2.183 173.990 176.094 0.132 0.000 1.097 579 V CA -0.644 61.706 62.300 0.083 0.000 0.906 579 V CB 1.706 33.569 31.823 0.066 0.000 1.015 579 V HN 0.997 nan 8.190 nan 0.000 0.427 580 Y N 6.763 127.063 120.300 -0.001 0.000 2.627 580 Y HA 0.395 4.942 4.550 -0.006 0.000 0.347 580 Y C 0.955 176.864 175.900 0.015 0.000 1.099 580 Y CA -0.423 57.677 58.100 -0.000 0.000 1.408 580 Y CB 0.752 39.209 38.460 -0.005 0.000 1.247 580 Y HN 0.734 nan 8.280 nan 0.000 0.506 581 L N 2.659 123.796 121.223 -0.143 0.000 2.263 581 L HA -0.224 4.112 4.340 -0.006 0.000 0.216 581 L C 1.312 177.983 176.870 -0.332 0.000 1.111 581 L CA 1.499 56.236 54.840 -0.171 0.000 0.773 581 L CB -0.180 41.842 42.059 -0.061 0.000 0.906 581 L HN 0.517 nan 8.230 nan 0.000 0.439 582 S N -0.596 114.635 115.700 -0.781 0.000 2.552 582 S HA 0.079 4.546 4.470 -0.006 0.000 0.246 582 S C 0.355 174.561 174.600 -0.656 0.000 1.019 582 S CA -0.385 57.401 58.200 -0.691 0.000 1.045 582 S CB -0.539 62.296 63.200 -0.607 0.000 0.784 582 S HN 0.307 nan 8.310 nan 0.000 0.453 583 N N 2.068 120.519 118.700 -0.415 0.000 2.458 583 N HA 0.140 4.876 4.740 -0.006 0.000 0.270 583 N C 0.583 176.099 175.510 0.010 0.000 1.102 583 N CA -0.014 53.032 53.050 -0.006 0.000 0.967 583 N CB 0.590 39.158 38.487 0.135 0.000 1.078 583 N HN 0.321 nan 8.380 nan 0.000 0.471 584 R N 1.518 122.051 120.500 0.054 0.000 2.335 584 R HA 0.131 4.468 4.340 -0.006 0.000 0.210 584 R C -0.273 176.052 176.300 0.041 0.000 0.892 584 R CA -0.403 55.718 56.100 0.035 0.000 1.048 584 R CB 0.379 30.695 30.300 0.028 0.000 1.067 584 R HN 0.577 nan 8.270 nan 0.000 0.524 585 D N 2.208 122.638 120.400 0.050 0.000 2.474 585 D HA -0.054 4.582 4.640 -0.006 0.000 0.232 585 D C 0.372 176.692 176.300 0.032 0.000 1.177 585 D CA 0.899 54.921 54.000 0.037 0.000 0.876 585 D CB 0.785 41.606 40.800 0.035 0.000 1.208 585 D HN 0.088 nan 8.370 nan 0.000 0.464 586 S N -0.440 115.277 115.700 0.029 0.000 2.593 586 S HA 0.237 4.703 4.470 -0.006 0.000 0.297 586 S C 0.951 175.523 174.600 -0.046 0.000 1.112 586 S CA -0.938 57.276 58.200 0.023 0.000 1.043 586 S CB 1.718 64.975 63.200 0.094 0.000 1.054 586 S HN 0.174 nan 8.310 nan 0.000 0.516 587 V N 2.037 121.838 119.914 -0.189 0.000 2.828 587 V HA -0.091 4.025 4.120 -0.006 0.000 0.260 587 V C 1.496 177.358 176.094 -0.388 0.000 1.101 587 V CA 1.709 63.796 62.300 -0.356 0.000 1.123 587 V CB -1.312 30.078 31.823 -0.723 0.000 0.704 587 V HN 0.883 nan 8.190 nan 0.000 0.493 588 F N 0.579 120.448 119.950 -0.136 0.000 2.558 588 F HA -0.012 4.511 4.527 -0.006 0.000 0.298 588 F C 1.985 177.725 175.800 -0.100 0.000 1.119 588 F CA 0.866 58.794 58.000 -0.120 0.000 1.451 588 F CB 0.237 39.169 39.000 -0.115 0.000 1.091 588 F HN 0.295 nan 8.300 nan 0.000 0.563 589 E N 0.813 121.047 120.200 0.058 0.000 2.609 589 E HA 0.081 4.427 4.350 -0.006 0.000 0.208 589 E C -0.277 176.316 176.600 -0.011 0.000 1.013 589 E CA -0.173 56.238 56.400 0.018 0.000 1.093 589 E CB -0.544 29.164 29.700 0.013 0.000 1.129 589 E HN 0.200 nan 8.360 nan 0.000 0.450 590 T N -1.478 113.055 114.554 -0.035 0.000 2.875 590 T HA 0.204 4.550 4.350 -0.006 0.000 0.284 590 T C 1.109 175.791 174.700 -0.031 0.000 0.995 590 T CA -0.893 61.185 62.100 -0.037 0.000 1.060 590 T CB 1.506 70.337 68.868 -0.062 0.000 0.967 590 T HN 0.014 nan 8.240 nan 0.000 0.476 591 L N 1.180 122.398 121.223 -0.007 0.000 2.270 591 L HA -0.089 4.247 4.340 -0.006 0.000 0.217 591 L C 2.122 179.000 176.870 0.013 0.000 1.107 591 L CA 1.814 56.664 54.840 0.016 0.000 0.772 591 L CB -1.377 40.708 42.059 0.043 0.000 0.902 591 L HN 0.794 nan 8.230 nan 0.000 0.439 592 E N -0.405 119.788 120.200 -0.011 0.000 2.047 592 E HA -0.115 4.231 4.350 -0.006 0.000 0.191 592 E C 2.291 178.861 176.600 -0.050 0.000 0.987 592 E CA 1.381 57.770 56.400 -0.017 0.000 0.799 592 E CB -0.393 29.284 29.700 -0.037 0.000 0.752 592 E HN 0.481 nan 8.360 nan 0.000 0.449 593 A N 0.992 123.761 122.820 -0.085 0.000 1.903 593 A HA -0.325 3.991 4.320 -0.006 0.000 0.219 593 A C 2.155 179.661 177.584 -0.130 0.000 1.191 593 A CA 1.875 53.856 52.037 -0.094 0.000 0.638 593 A CB -0.609 18.354 19.000 -0.062 0.000 0.823 593 A HN 0.157 nan 8.150 nan 0.000 0.451 594 Q N -0.443 119.240 119.800 -0.194 0.000 2.050 594 Q HA -0.183 4.154 4.340 -0.006 0.000 0.202 594 Q C 2.072 177.746 176.000 -0.543 0.000 0.980 594 Q CA 1.863 57.378 55.803 -0.481 0.000 0.840 594 Q CB -0.398 28.050 28.738 -0.483 0.000 0.898 594 Q HN 0.823 nan 8.270 nan 0.000 0.424 595 E N -0.114 120.038 120.200 -0.080 0.000 2.085 595 E HA -0.172 4.175 4.350 -0.006 0.000 0.194 595 E C 2.144 178.836 176.600 0.152 0.000 0.994 595 E CA 1.041 57.598 56.400 0.261 0.000 0.801 595 E CB -0.201 29.636 29.700 0.230 0.000 0.743 595 E HN 0.392 nan 8.360 nan 0.000 0.453 596 M N 0.695 120.309 119.600 0.022 0.000 2.080 596 M HA -0.165 4.312 4.480 -0.006 0.000 0.260 596 M C 2.621 178.931 176.300 0.017 0.000 1.068 596 M CA 1.202 56.507 55.300 0.009 0.000 1.109 596 M CB -0.493 32.085 32.600 -0.036 0.000 1.342 596 M HN 0.169 nan 8.290 nan 0.000 0.405 597 L N -0.274 120.910 121.223 -0.065 0.000 2.043 597 L HA -0.250 4.086 4.340 -0.006 0.000 0.212 597 L C 2.384 179.259 176.870 0.009 0.000 1.075 597 L CA 1.556 56.350 54.840 -0.077 0.000 0.752 597 L CB -0.348 41.567 42.059 -0.240 0.000 0.891 597 L HN 0.433 nan 8.230 nan 0.000 0.432 598 W N -0.216 121.128 121.300 0.073 0.000 2.363 598 W HA -0.186 4.470 4.660 -0.006 0.000 0.296 598 W C 2.456 179.027 176.519 0.087 0.000 1.212 598 W CA 0.869 58.257 57.345 0.072 0.000 1.260 598 W CB -0.756 28.734 29.460 0.051 0.000 1.131 598 W HN 0.258 nan 8.180 nan 0.000 0.530 599 L N -0.350 121.054 121.223 0.302 0.000 2.027 599 L HA -0.221 4.115 4.340 -0.006 0.000 0.206 599 L C 2.464 179.483 176.870 0.248 0.000 1.074 599 L CA 1.079 56.071 54.840 0.253 0.000 0.745 599 L CB -0.849 41.307 42.059 0.161 0.000 0.898 599 L HN -0.141 nan 8.230 nan 0.000 0.433 600 L N -0.839 120.491 121.223 0.179 0.000 2.191 600 L HA -0.246 4.091 4.340 -0.006 0.000 0.212 600 L C 2.555 179.631 176.870 0.344 0.000 1.103 600 L CA 1.100 56.076 54.840 0.227 0.000 0.769 600 L CB -0.403 41.763 42.059 0.179 0.000 0.908 600 L HN 0.411 nan 8.230 nan 0.000 0.438 601 Q N -0.683 119.284 119.800 0.279 0.000 2.245 601 Q HA -0.057 4.279 4.340 -0.006 0.000 0.201 601 Q C 2.403 178.543 176.000 0.233 0.000 0.955 601 Q CA 1.136 57.095 55.803 0.260 0.000 0.870 601 Q CB -0.014 28.875 28.738 0.250 0.000 0.945 601 Q HN 0.554 nan 8.270 nan 0.000 0.461 602 A N 0.585 123.539 122.820 0.223 0.000 1.874 602 A HA -0.074 4.242 4.320 -0.006 0.000 0.214 602 A C 2.336 180.073 177.584 0.253 0.000 1.189 602 A CA 0.844 52.946 52.037 0.108 0.000 0.615 602 A CB -0.596 18.358 19.000 -0.076 0.000 0.830 602 A HN 0.155 nan 8.150 nan 0.000 0.443 603 V N -0.517 119.685 119.914 0.480 0.000 2.287 603 V HA -0.275 3.841 4.120 -0.006 0.000 0.248 603 V C 2.480 178.817 176.094 0.405 0.000 1.053 603 V CA 2.301 64.946 62.300 0.576 0.000 1.027 603 V CB -0.644 31.479 31.823 0.500 0.000 0.646 603 V HN 0.575 nan 8.190 nan 0.000 0.447 604 M N -0.063 119.748 119.600 0.352 0.000 2.700 604 M HA 0.009 4.486 4.480 -0.006 0.000 0.249 604 M C 0.811 177.213 176.300 0.171 0.000 1.082 604 M CA 1.142 56.548 55.300 0.176 0.000 1.077 604 M CB -0.434 32.235 32.600 0.116 0.000 1.477 604 M HN 0.466 nan 8.290 nan 0.000 0.529 605 T N -1.171 113.494 114.554 0.185 0.000 3.883 605 T HA 0.157 4.503 4.350 -0.006 0.000 0.175 605 T C -2.736 172.033 174.700 0.115 0.000 0.534 605 T CA -0.699 61.489 62.100 0.147 0.000 1.036 605 T CB 0.089 69.046 68.868 0.148 0.000 1.273 605 T HN 0.098 nan 8.240 nan 0.000 0.534 606 P HA 0.053 nan 4.420 nan 0.000 0.239 606 P C 1.092 178.443 177.300 0.085 0.000 1.184 606 P CA 0.435 63.558 63.100 0.038 0.000 0.760 606 P CB 0.363 32.103 31.700 0.066 0.000 0.884 607 E N 1.044 121.306 120.200 0.102 0.000 2.047 607 E HA -0.100 4.246 4.350 -0.006 0.000 0.191 607 E C 1.007 177.678 176.600 0.119 0.000 0.987 607 E CA 0.740 57.205 56.400 0.108 0.000 0.799 607 E CB -0.702 29.049 29.700 0.086 0.000 0.752 607 E HN 0.387 nan 8.360 nan 0.000 0.449 608 R N 2.390 122.952 120.500 0.103 0.000 2.459 608 R HA 0.038 4.374 4.340 -0.006 0.000 0.301 608 R C 1.240 177.618 176.300 0.130 0.000 1.286 608 R CA -0.009 56.148 56.100 0.095 0.000 1.046 608 R CB 0.036 30.383 30.300 0.079 0.000 1.071 608 R HN 0.322 nan 8.270 nan 0.000 0.512 609 E N 3.091 123.379 120.200 0.147 0.000 2.233 609 E HA -0.392 3.954 4.350 -0.006 0.000 0.210 609 E C 0.752 177.475 176.600 0.204 0.000 1.046 609 E CA 1.794 58.319 56.400 0.209 0.000 0.844 609 E CB 0.148 29.804 29.700 -0.073 0.000 0.741 609 E HN 0.604 nan 8.360 nan 0.000 0.465 610 N N -1.160 117.596 118.700 0.093 0.000 2.105 610 N HA -0.156 4.581 4.740 -0.006 0.000 0.190 610 N C 1.991 177.543 175.510 0.070 0.000 1.066 610 N CA 1.991 55.080 53.050 0.065 0.000 0.861 610 N CB -0.265 38.239 38.487 0.028 0.000 1.048 610 N HN 0.291 nan 8.380 nan 0.000 0.442 611 T N 0.754 115.346 114.554 0.063 0.000 2.755 611 T HA -0.244 4.102 4.350 -0.006 0.000 0.266 611 T C 1.870 176.586 174.700 0.026 0.000 1.041 611 T CA 1.228 63.367 62.100 0.065 0.000 1.147 611 T CB -0.656 68.276 68.868 0.107 0.000 0.847 611 T HN 0.239 nan 8.240 nan 0.000 0.478 612 L N 0.126 121.354 121.223 0.009 0.000 2.007 612 L HA 0.026 4.362 4.340 -0.006 0.000 0.205 612 L C 3.171 179.968 176.870 -0.121 0.000 1.073 612 L CA 1.644 56.396 54.840 -0.146 0.000 0.744 612 L CB -0.466 41.481 42.059 -0.186 0.000 0.898 612 L HN 0.259 nan 8.230 nan 0.000 0.435 613 R N -0.491 120.059 120.500 0.083 0.000 2.112 613 R HA -0.260 4.076 4.340 -0.006 0.000 0.242 613 R C 2.479 178.767 176.300 -0.020 0.000 1.137 613 R CA 2.183 58.358 56.100 0.125 0.000 0.944 613 R CB -0.594 29.865 30.300 0.266 0.000 0.857 613 R HN 0.406 nan 8.270 nan 0.000 0.435 614 S N -0.410 115.256 115.700 -0.058 0.000 2.372 614 S HA -0.250 4.216 4.470 -0.006 0.000 0.227 614 S C 1.939 176.435 174.600 -0.174 0.000 1.044 614 S CA 1.638 59.726 58.200 -0.186 0.000 1.050 614 S CB -0.354 62.703 63.200 -0.238 0.000 0.901 614 S HN 0.581 nan 8.310 nan 0.000 0.447 615 A N 1.280 124.061 122.820 -0.065 0.000 1.883 615 A HA -0.014 4.303 4.320 -0.006 0.000 0.217 615 A C 2.204 179.800 177.584 0.021 0.000 1.186 615 A CA 1.678 53.737 52.037 0.036 0.000 0.624 615 A CB -0.921 18.096 19.000 0.030 0.000 0.822 615 A HN 0.588 nan 8.150 nan 0.000 0.444 616 L N -0.768 120.431 121.223 -0.039 0.000 2.191 616 L HA -0.186 4.151 4.340 -0.006 0.000 0.212 616 L C 2.901 179.764 176.870 -0.011 0.000 1.103 616 L CA 0.844 55.675 54.840 -0.015 0.000 0.769 616 L CB -0.466 41.552 42.059 -0.069 0.000 0.908 616 L HN 0.450 nan 8.230 nan 0.000 0.438 617 A N -0.350 122.443 122.820 -0.045 0.000 2.066 617 A HA -0.057 4.259 4.320 -0.006 0.000 0.218 617 A C 1.383 178.939 177.584 -0.047 0.000 1.157 617 A CA 0.914 52.915 52.037 -0.060 0.000 0.670 617 A CB -0.909 18.021 19.000 -0.115 0.000 0.804 617 A HN 0.470 nan 8.150 nan 0.000 0.453 618 T N -0.513 114.030 114.554 -0.019 0.000 2.933 618 T HA 0.176 4.523 4.350 -0.006 0.000 0.306 618 T C 1.237 175.964 174.700 0.045 0.000 1.045 618 T CA 0.364 62.492 62.100 0.046 0.000 1.143 618 T CB 0.813 69.768 68.868 0.146 0.000 1.003 618 T HN 0.683 nan 8.240 nan 0.000 0.540 619 S N 3.529 119.261 115.700 0.053 0.000 2.419 619 S HA -0.255 4.211 4.470 -0.006 0.000 0.235 619 S C 1.949 176.570 174.600 0.036 0.000 1.019 619 S CA 1.228 59.450 58.200 0.038 0.000 0.982 619 S CB -0.787 62.438 63.200 0.042 0.000 0.789 619 S HN 0.809 nan 8.310 nan 0.000 0.490 620 M N 0.136 119.765 119.600 0.048 0.000 2.213 620 M HA 0.004 4.481 4.480 -0.006 0.000 0.263 620 M C 1.412 177.726 176.300 0.023 0.000 1.062 620 M CA 1.448 56.768 55.300 0.033 0.000 1.105 620 M CB -0.270 32.355 32.600 0.042 0.000 1.385 620 M HN 0.275 nan 8.290 nan 0.000 0.417 621 M N -0.011 119.609 119.600 0.033 0.000 2.595 621 M HA 0.138 4.614 4.480 -0.006 0.000 0.248 621 M C 1.373 177.684 176.300 0.019 0.000 1.119 621 M CA 0.945 56.263 55.300 0.029 0.000 1.079 621 M CB -1.455 31.172 32.600 0.046 0.000 1.472 621 M HN 0.531 nan 8.290 nan 0.000 0.501 622 G N 2.116 110.925 108.800 0.016 0.000 2.321 622 G HA2 -0.252 3.704 3.960 -0.006 0.000 0.287 622 G HA3 -0.252 3.704 3.960 -0.006 0.000 0.287 622 G C 0.226 175.132 174.900 0.011 0.000 1.018 622 G CA 0.168 45.275 45.100 0.011 0.000 0.855 622 G HN 0.425 nan 8.290 nan 0.000 0.507 623 L N -0.934 120.297 121.223 0.012 0.000 2.468 623 L HA 0.385 4.722 4.340 -0.006 0.000 0.254 623 L C 0.996 177.871 176.870 0.008 0.000 1.171 623 L CA -0.931 53.915 54.840 0.011 0.000 0.809 623 L CB 0.508 42.574 42.059 0.012 0.000 1.155 623 L HN 0.147 nan 8.230 nan 0.000 0.473 624 N N -0.753 117.952 118.700 0.010 0.000 2.530 624 N HA 0.364 5.100 4.740 -0.006 0.000 0.283 624 N C 0.403 175.918 175.510 0.008 0.000 1.238 624 N CA 0.119 53.174 53.050 0.008 0.000 0.971 624 N CB 1.694 40.186 38.487 0.009 0.000 1.195 624 N HN 0.643 nan 8.380 nan 0.000 0.583 625 A N 0.379 123.203 122.820 0.006 0.000 1.903 625 A HA -0.023 4.293 4.320 -0.006 0.000 0.213 625 A C 1.956 179.547 177.584 0.011 0.000 1.185 625 A CA 0.642 52.683 52.037 0.005 0.000 0.628 625 A CB -0.578 18.424 19.000 0.002 0.000 0.830 625 A HN 0.580 nan 8.150 nan 0.000 0.446 626 L N 0.400 121.630 121.223 0.012 0.000 2.012 626 L HA -0.194 4.142 4.340 -0.006 0.000 0.210 626 L C 1.624 178.508 176.870 0.023 0.000 1.073 626 L CA 2.608 57.458 54.840 0.016 0.000 0.748 626 L CB -1.329 40.738 42.059 0.014 0.000 0.891 626 L HN 0.364 nan 8.230 nan 0.000 0.431 627 D N 0.312 120.725 120.400 0.022 0.000 2.106 627 D HA -0.232 4.404 4.640 -0.006 0.000 0.191 627 D C 2.327 178.651 176.300 0.040 0.000 0.997 627 D CA 1.503 55.520 54.000 0.028 0.000 0.834 627 D CB -0.050 40.762 40.800 0.021 0.000 0.956 627 D HN 0.310 nan 8.370 nan 0.000 0.448 628 I N 1.171 121.764 120.570 0.037 0.000 2.151 628 I HA -0.235 3.931 4.170 -0.006 0.000 0.243 628 I C 2.415 178.571 176.117 0.065 0.000 1.080 628 I CA 1.066 62.399 61.300 0.054 0.000 1.339 628 I CB -1.347 36.673 38.000 0.034 0.000 1.039 628 I HN 0.020 nan 8.210 nan 0.000 0.409 629 E N 1.622 121.848 120.200 0.042 0.000 2.002 629 E HA -0.245 4.101 4.350 -0.006 0.000 0.205 629 E C 2.259 178.890 176.600 0.051 0.000 1.020 629 E CA 3.012 59.434 56.400 0.037 0.000 0.856 629 E CB -0.689 29.025 29.700 0.023 0.000 0.788 629 E HN 0.539 nan 8.360 nan 0.000 0.477 630 T N -0.145 114.438 114.554 0.048 0.000 2.624 630 T HA -0.307 4.039 4.350 -0.006 0.000 0.266 630 T C 2.076 176.827 174.700 0.086 0.000 1.050 630 T CA 2.110 64.245 62.100 0.058 0.000 1.163 630 T CB -0.968 67.930 68.868 0.051 0.000 0.861 630 T HN 0.284 nan 8.240 nan 0.000 0.443 631 L N 0.964 122.250 121.223 0.105 0.000 2.447 631 L HA -0.071 4.266 4.340 -0.006 0.000 0.225 631 L C 2.183 179.216 176.870 0.272 0.000 1.148 631 L CA 1.288 56.229 54.840 0.169 0.000 0.808 631 L CB -0.378 41.768 42.059 0.145 0.000 0.928 631 L HN 0.369 nan 8.230 nan 0.000 0.448 632 N N -0.325 118.472 118.700 0.162 0.000 2.409 632 N HA -0.010 4.726 4.740 -0.006 0.000 0.174 632 N C 0.722 176.237 175.510 0.008 0.000 1.037 632 N CA 0.578 53.669 53.050 0.069 0.000 0.898 632 N CB 0.052 38.550 38.487 0.018 0.000 1.010 632 N HN 0.448 nan 8.380 nan 0.000 0.445 633 N N 0.625 119.349 118.700 0.041 0.000 2.268 633 N HA -0.017 4.719 4.740 -0.006 0.000 0.204 633 N C -0.539 175.006 175.510 0.059 0.000 1.124 633 N CA 0.269 53.335 53.050 0.027 0.000 0.838 633 N CB 0.754 39.256 38.487 0.024 0.000 0.994 633 N HN 0.126 nan 8.380 nan 0.000 0.489 634 D N 0.831 121.293 120.400 0.104 0.000 2.375 634 D HA 0.057 4.693 4.640 -0.006 0.000 0.259 634 D C 0.655 177.080 176.300 0.208 0.000 1.235 634 D CA -0.263 53.836 54.000 0.165 0.000 0.924 634 D CB 1.409 42.319 40.800 0.183 0.000 1.143 634 D HN -0.159 nan 8.370 nan 0.000 0.529 635 E N 2.022 122.324 120.200 0.170 0.000 2.160 635 E HA -0.259 4.087 4.350 -0.006 0.000 0.195 635 E C 1.763 178.516 176.600 0.256 0.000 0.991 635 E CA 1.598 58.099 56.400 0.168 0.000 0.810 635 E CB -0.102 29.646 29.700 0.080 0.000 0.742 635 E HN 0.631 nan 8.360 nan 0.000 0.466 636 H N -0.808 118.326 119.070 0.105 0.000 2.372 636 H HA 0.160 4.712 4.556 -0.006 0.000 0.301 636 H C 1.739 177.135 175.328 0.114 0.000 1.065 636 H CA 1.444 57.551 56.048 0.098 0.000 1.364 636 H CB -0.792 29.007 29.762 0.062 0.000 1.406 636 H HN 0.188 nan 8.280 nan 0.000 0.521 637 A N 1.692 124.227 122.820 -0.474 0.000 2.067 637 A HA -0.117 4.199 4.320 -0.006 0.000 0.219 637 A C 2.303 179.848 177.584 -0.065 0.000 1.158 637 A CA 0.896 52.707 52.037 -0.378 0.000 0.661 637 A CB -1.330 17.498 19.000 -0.285 0.000 0.801 637 A HN 0.718 nan 8.150 nan 0.000 0.452 638 W N 1.313 122.564 121.300 -0.082 0.000 2.413 638 W HA -0.130 4.526 4.660 -0.006 0.000 0.315 638 W C 0.991 177.498 176.519 -0.021 0.000 1.186 638 W CA 1.829 59.154 57.345 -0.035 0.000 1.326 638 W CB -0.438 29.014 29.460 -0.015 0.000 1.153 638 W HN 0.434 nan 8.180 nan 0.000 0.489 639 D N 0.785 121.332 120.400 0.246 0.000 2.190 639 D HA -0.188 4.448 4.640 -0.006 0.000 0.200 639 D C 2.267 178.572 176.300 0.008 0.000 0.992 639 D CA 1.661 55.749 54.000 0.147 0.000 0.854 639 D CB -0.646 40.252 40.800 0.164 0.000 0.936 639 D HN 0.061 nan 8.370 nan 0.000 0.462 640 V N 1.328 121.224 119.914 -0.030 0.000 2.231 640 V HA -0.295 3.821 4.120 -0.006 0.000 0.250 640 V C 2.809 178.862 176.094 -0.069 0.000 1.058 640 V CA 1.603 63.868 62.300 -0.059 0.000 1.022 640 V CB -0.766 30.995 31.823 -0.102 0.000 0.640 640 V HN 0.068 nan 8.190 nan 0.000 0.445 641 V N -0.169 119.668 119.914 -0.128 0.000 2.287 641 V HA -0.257 3.859 4.120 -0.006 0.000 0.248 641 V C 2.405 178.487 176.094 -0.019 0.000 1.053 641 V CA 2.093 64.337 62.300 -0.093 0.000 1.027 641 V CB -0.833 30.811 31.823 -0.299 0.000 0.646 641 V HN 0.426 nan 8.190 nan 0.000 0.447 642 V N -0.139 119.679 119.914 -0.160 0.000 2.278 642 V HA -0.364 3.753 4.120 -0.006 0.000 0.251 642 V C 2.488 178.611 176.094 0.048 0.000 1.062 642 V CA 2.506 64.774 62.300 -0.052 0.000 1.038 642 V CB -0.816 31.004 31.823 -0.005 0.000 0.646 642 V HN 0.543 nan 8.190 nan 0.000 0.447 643 E N 0.117 120.325 120.200 0.012 0.000 2.038 643 E HA -0.266 4.080 4.350 -0.006 0.000 0.195 643 E C 2.298 178.866 176.600 -0.054 0.000 1.000 643 E CA 1.800 58.196 56.400 -0.007 0.000 0.803 643 E CB -0.343 29.344 29.700 -0.022 0.000 0.750 643 E HN 0.724 nan 8.360 nan 0.000 0.448 644 E N -0.710 119.445 120.200 -0.074 0.000 2.065 644 E HA -0.268 4.078 4.350 -0.006 0.000 0.201 644 E C 1.858 178.178 176.600 -0.468 0.000 1.016 644 E CA 1.661 57.909 56.400 -0.253 0.000 0.818 644 E CB -0.298 29.345 29.700 -0.095 0.000 0.749 644 E HN 0.296 nan 8.360 nan 0.000 0.453 645 F N 1.019 120.877 119.950 -0.154 0.000 2.186 645 F HA -0.068 4.455 4.527 -0.006 0.000 0.299 645 F C 2.201 178.022 175.800 0.034 0.000 1.090 645 F CA 1.559 59.620 58.000 0.101 0.000 1.307 645 F CB -0.431 38.664 39.000 0.159 0.000 1.019 645 F HN 0.125 nan 8.300 nan 0.000 0.489 646 D N -0.476 120.016 120.400 0.153 0.000 2.265 646 D HA -0.122 4.514 4.640 -0.006 0.000 0.208 646 D C 2.414 178.725 176.300 0.020 0.000 0.977 646 D CA 1.343 55.399 54.000 0.094 0.000 0.871 646 D CB -0.341 40.493 40.800 0.057 0.000 0.925 646 D HN 0.259 nan 8.370 nan 0.000 0.485 647 G N -1.062 107.669 108.800 -0.115 0.000 2.396 647 G HA2 -0.231 3.726 3.960 -0.006 0.000 0.214 647 G HA3 -0.231 3.726 3.960 -0.006 0.000 0.214 647 G C 1.064 175.911 174.900 -0.088 0.000 1.166 647 G CA 0.428 45.428 45.100 -0.167 0.000 0.793 647 G HN 0.255 nan 8.290 nan 0.000 0.533 648 Y N 1.981 122.275 120.300 -0.010 0.000 2.207 648 Y HA -0.193 4.353 4.550 -0.006 0.000 0.287 648 Y C 2.956 178.930 175.900 0.124 0.000 1.156 648 Y CA 1.488 59.579 58.100 -0.015 0.000 1.182 648 Y CB -0.583 37.788 38.460 -0.148 0.000 0.979 648 Y HN 0.319 nan 8.280 nan 0.000 0.521 649 R N -0.195 120.496 120.500 0.318 0.000 2.081 649 R HA -0.196 4.141 4.340 -0.006 0.000 0.235 649 R C 1.968 178.395 176.300 0.213 0.000 1.131 649 R CA 1.598 57.883 56.100 0.309 0.000 0.960 649 R CB -0.754 29.662 30.300 0.194 0.000 0.856 649 R HN 0.149 nan 8.270 nan 0.000 0.436 650 Q N 1.015 120.895 119.800 0.134 0.000 2.030 650 Q HA -0.061 4.275 4.340 -0.006 0.000 0.204 650 Q C 2.120 178.190 176.000 0.116 0.000 0.986 650 Q CA 1.809 57.663 55.803 0.084 0.000 0.843 650 Q CB -0.164 28.598 28.738 0.040 0.000 0.904 650 Q HN 0.372 nan 8.270 nan 0.000 0.420 651 I N -0.779 119.872 120.570 0.135 0.000 2.315 651 I HA -0.278 3.888 4.170 -0.006 0.000 0.251 651 I C 1.978 178.217 176.117 0.204 0.000 1.125 651 I CA 1.102 62.484 61.300 0.137 0.000 1.392 651 I CB -1.349 36.732 38.000 0.136 0.000 1.065 651 I HN 0.431 nan 8.210 nan 0.000 0.424 652 W N 2.769 124.085 121.300 0.027 0.000 2.378 652 W HA -0.120 4.536 4.660 -0.006 0.000 0.313 652 W C 2.837 179.354 176.519 -0.004 0.000 1.197 652 W CA 1.235 58.585 57.345 0.008 0.000 1.304 652 W CB -0.732 28.734 29.460 0.010 0.000 1.148 652 W HN 0.063 nan 8.180 nan 0.000 0.494 653 R N 0.072 120.665 120.500 0.154 0.000 2.091 653 R HA -0.167 4.170 4.340 -0.006 0.000 0.238 653 R C 2.344 178.672 176.300 0.046 0.000 1.136 653 R CA 2.088 58.188 56.100 -0.001 0.000 0.959 653 R CB -0.221 30.057 30.300 -0.036 0.000 0.856 653 R HN 0.153 nan 8.270 nan 0.000 0.437 654 K N -0.517 119.927 120.400 0.074 0.000 2.044 654 K HA 0.035 4.352 4.320 -0.006 0.000 0.204 654 K C 1.987 178.626 176.600 0.065 0.000 1.045 654 K CA 0.641 56.961 56.287 0.055 0.000 0.951 654 K CB 0.118 32.645 32.500 0.045 0.000 0.738 654 K HN 0.006 nan 8.250 nan 0.000 0.443 655 R N 0.082 120.633 120.500 0.084 0.000 2.282 655 R HA 0.198 4.534 4.340 -0.006 0.000 0.195 655 R C 0.870 177.221 176.300 0.084 0.000 0.909 655 R CA 0.607 56.747 56.100 0.068 0.000 1.039 655 R CB 1.073 31.401 30.300 0.048 0.000 1.015 655 R HN 0.397 nan 8.270 nan 0.000 0.513 656 G N -0.672 108.222 108.800 0.157 0.000 2.331 656 G HA2 -0.189 3.768 3.960 -0.006 0.000 0.479 656 G HA3 -0.189 3.768 3.960 -0.006 0.000 0.479 656 G C 0.359 175.310 174.900 0.087 0.000 1.262 656 G CA -0.427 44.788 45.100 0.190 0.000 1.029 656 G HN -0.166 nan 8.290 nan 0.000 0.487 657 V N 0.188 120.037 119.914 -0.107 0.000 2.300 657 V HA 0.000 4.117 4.120 -0.006 0.000 0.241 657 V C 2.864 178.768 176.094 -0.317 0.000 1.034 657 V CA 2.782 64.774 62.300 -0.514 0.000 1.021 657 V CB -0.819 30.717 31.823 -0.478 0.000 0.662 657 V HN 0.791 nan 8.190 nan 0.000 0.458 658 M N 1.171 120.661 119.600 -0.183 0.000 2.113 658 M HA -0.166 4.310 4.480 -0.006 0.000 0.255 658 M C -0.366 175.862 176.300 -0.120 0.000 1.073 658 M CA 2.632 57.850 55.300 -0.136 0.000 1.091 658 M CB -1.602 30.948 32.600 -0.085 0.000 1.309 658 M HN 0.175 nan 8.290 nan 0.000 0.407 659 P HA -0.177 nan 4.420 nan 0.000 0.218 659 P C 1.852 179.114 177.300 -0.064 0.000 1.148 659 P CA 1.279 64.349 63.100 -0.051 0.000 0.822 659 P CB -0.402 31.291 31.700 -0.012 0.000 0.784 660 M N -0.819 118.718 119.600 -0.105 0.000 2.098 660 M HA -0.093 4.383 4.480 -0.006 0.000 0.262 660 M C 1.924 178.087 176.300 -0.229 0.000 1.072 660 M CA 1.848 57.079 55.300 -0.116 0.000 1.133 660 M CB -1.340 31.160 32.600 -0.167 0.000 1.344 660 M HN -0.099 nan 8.290 nan 0.000 0.414 661 L N -0.361 120.688 121.223 -0.290 0.000 2.013 661 L HA -0.254 4.082 4.340 -0.006 0.000 0.212 661 L C 2.737 179.468 176.870 -0.231 0.000 1.073 661 L CA 1.643 56.304 54.840 -0.297 0.000 0.753 661 L CB -0.818 41.085 42.059 -0.260 0.000 0.890 661 L HN 0.383 nan 8.230 nan 0.000 0.432 662 R N -0.078 120.326 120.500 -0.161 0.000 2.115 662 R HA -0.128 4.208 4.340 -0.006 0.000 0.230 662 R C 2.327 178.566 176.300 -0.102 0.000 1.111 662 R CA 1.184 57.216 56.100 -0.114 0.000 0.976 662 R CB -0.151 30.101 30.300 -0.080 0.000 0.870 662 R HN 0.361 nan 8.270 nan 0.000 0.445 663 A N 0.742 123.506 122.820 -0.093 0.000 1.930 663 A HA -0.141 4.176 4.320 -0.006 0.000 0.217 663 A C 1.920 179.473 177.584 -0.053 0.000 1.175 663 A CA 0.986 53.010 52.037 -0.021 0.000 0.627 663 A CB -0.468 18.570 19.000 0.064 0.000 0.815 663 A HN 0.348 nan 8.150 nan 0.000 0.443 664 L N -0.394 120.640 121.223 -0.315 0.000 1.988 664 L HA -0.116 4.220 4.340 -0.006 0.000 0.207 664 L C 2.497 179.210 176.870 -0.262 0.000 1.071 664 L CA 2.322 56.806 54.840 -0.594 0.000 0.744 664 L CB -0.712 40.814 42.059 -0.889 0.000 0.893 664 L HN 0.444 nan 8.230 nan 0.000 0.433 665 M N -0.935 118.541 119.600 -0.206 0.000 2.082 665 M HA -0.258 4.219 4.480 -0.006 0.000 0.258 665 M C 2.213 178.469 176.300 -0.074 0.000 1.069 665 M CA 2.172 57.399 55.300 -0.122 0.000 1.102 665 M CB -0.556 31.982 32.600 -0.104 0.000 1.336 665 M HN 0.287 nan 8.290 nan 0.000 0.404 666 S N 0.376 116.040 115.700 -0.061 0.000 2.400 666 S HA -0.117 4.349 4.470 -0.006 0.000 0.232 666 S C 1.993 176.583 174.600 -0.016 0.000 1.025 666 S CA 1.285 59.467 58.200 -0.031 0.000 0.993 666 S CB -0.396 62.791 63.200 -0.022 0.000 0.808 666 S HN 0.577 nan 8.310 nan 0.000 0.478 667 A N 2.208 125.024 122.820 -0.006 0.000 1.835 667 A HA 0.051 4.367 4.320 -0.006 0.000 0.213 667 A C 1.912 179.497 177.584 0.001 0.000 1.210 667 A CA 0.606 52.651 52.037 0.013 0.000 0.605 667 A CB -0.371 18.666 19.000 0.062 0.000 0.860 667 A HN 0.240 nan 8.150 nan 0.000 0.447 668 R N 0.579 121.073 120.500 -0.010 0.000 2.395 668 R HA -0.043 4.293 4.340 -0.006 0.000 0.203 668 R C -0.466 175.824 176.300 -0.015 0.000 1.076 668 R CA 0.417 56.511 56.100 -0.010 0.000 1.059 668 R CB -0.969 29.318 30.300 -0.021 0.000 0.860 668 R HN 0.574 nan 8.270 nan 0.000 0.476 669 N N 1.062 119.750 118.700 -0.019 0.000 2.686 669 N HA -0.204 4.533 4.740 -0.006 0.000 0.261 669 N C 0.862 176.360 175.510 -0.021 0.000 1.001 669 N CA 0.511 53.550 53.050 -0.019 0.000 0.764 669 N CB -0.764 37.717 38.487 -0.011 0.000 0.898 669 N HN 0.239 nan 8.380 nan 0.000 0.544 670 I N -0.333 120.219 120.570 -0.031 0.000 2.133 670 I HA -0.222 3.944 4.170 -0.006 0.000 0.238 670 I C 2.452 178.553 176.117 -0.026 0.000 1.074 670 I CA 1.698 62.980 61.300 -0.030 0.000 1.342 670 I CB -1.341 36.631 38.000 -0.047 0.000 1.053 670 I HN 0.396 nan 8.210 nan 0.000 0.404 671 A N 1.081 123.883 122.820 -0.030 0.000 1.873 671 A HA -0.262 4.054 4.320 -0.006 0.000 0.218 671 A C 2.191 179.764 177.584 -0.018 0.000 1.193 671 A CA 2.264 54.286 52.037 -0.026 0.000 0.629 671 A CB -0.918 18.065 19.000 -0.029 0.000 0.826 671 A HN 0.561 nan 8.150 nan 0.000 0.447 672 E N 0.029 120.219 120.200 -0.018 0.000 2.085 672 E HA -0.193 4.153 4.350 -0.006 0.000 0.194 672 E C 1.889 178.483 176.600 -0.011 0.000 0.994 672 E CA 1.316 57.708 56.400 -0.014 0.000 0.801 672 E CB -0.245 29.447 29.700 -0.013 0.000 0.743 672 E HN 0.584 nan 8.360 nan 0.000 0.453 673 N N 0.755 119.449 118.700 -0.011 0.000 2.109 673 N HA -0.084 4.652 4.740 -0.006 0.000 0.188 673 N C 1.989 177.495 175.510 -0.006 0.000 1.034 673 N CA 0.759 53.805 53.050 -0.007 0.000 0.846 673 N CB -0.353 38.130 38.487 -0.006 0.000 1.010 673 N HN 0.113 nan 8.380 nan 0.000 0.425 674 L N 1.135 122.354 121.223 -0.007 0.000 1.990 674 L HA -0.171 4.165 4.340 -0.006 0.000 0.213 674 L C 2.295 179.163 176.870 -0.004 0.000 1.072 674 L CA 1.009 55.846 54.840 -0.005 0.000 0.755 674 L CB -0.469 41.586 42.059 -0.008 0.000 0.889 674 L HN 0.155 nan 8.230 nan 0.000 0.432 675 L N -0.614 120.606 121.223 -0.006 0.000 2.189 675 L HA -0.231 4.106 4.340 -0.006 0.000 0.214 675 L C 2.229 179.097 176.870 -0.003 0.000 1.097 675 L CA 1.125 55.962 54.840 -0.005 0.000 0.764 675 L CB -0.484 41.570 42.059 -0.007 0.000 0.900 675 L HN 0.284 nan 8.230 nan 0.000 0.436 676 A N -1.635 121.182 122.820 -0.004 0.000 2.337 676 A HA 0.108 4.424 4.320 -0.006 0.000 0.227 676 A C 0.804 178.387 177.584 -0.002 0.000 1.259 676 A CA 0.226 52.261 52.037 -0.004 0.000 0.870 676 A CB -0.289 18.707 19.000 -0.006 0.000 0.927 676 A HN 0.266 nan 8.150 nan 0.000 0.497 677 T N 1.299 115.853 114.554 0.000 0.000 3.377 677 T HA 0.540 4.886 4.350 -0.006 0.000 0.270 677 T C 0.246 174.949 174.700 0.005 0.000 1.586 677 T CA 0.228 62.330 62.100 0.002 0.000 1.487 677 T CB -0.178 68.692 68.868 0.003 0.000 0.994 677 T HN 1.285 nan 8.240 nan 0.000 0.689 678 A N 0.707 123.531 122.820 0.006 0.000 1.433 678 A HA 0.188 4.504 4.320 -0.006 0.000 0.259 678 A C 1.621 179.212 177.584 0.012 0.000 1.145 678 A CA 0.943 52.986 52.037 0.010 0.000 1.127 678 A CB -1.460 17.546 19.000 0.010 0.000 0.894 678 A HN 2.078 nan 8.150 nan 0.000 0.158 679 G N 1.252 110.061 108.800 0.015 0.000 2.155 679 G HA2 -0.038 3.918 3.960 -0.006 0.000 0.257 679 G HA3 -0.038 3.918 3.960 -0.006 0.000 0.257 679 G C 1.748 176.655 174.900 0.012 0.000 0.983 679 G CA 1.445 46.554 45.100 0.016 0.000 0.676 679 G HN 2.409 nan 8.290 nan 0.000 0.528 680 G N -0.138 108.667 108.800 0.009 0.000 2.403 680 G HA2 0.002 3.958 3.960 -0.006 0.000 0.216 680 G HA3 0.002 3.958 3.960 -0.006 0.000 0.216 680 G C 1.217 176.119 174.900 0.004 0.000 1.154 680 G CA 1.460 46.563 45.100 0.006 0.000 0.784 680 G HN 0.666 nan 8.290 nan 0.000 0.538 681 E N 0.440 120.644 120.200 0.007 0.000 2.097 681 E HA -0.269 4.077 4.350 -0.006 0.000 0.196 681 E C 2.481 179.085 176.600 0.008 0.000 1.000 681 E CA 1.432 57.836 56.400 0.006 0.000 0.804 681 E CB -0.045 29.662 29.700 0.011 0.000 0.740 681 E HN 0.303 nan 8.360 nan 0.000 0.454 682 R N 1.133 121.641 120.500 0.012 0.000 2.070 682 R HA -0.112 4.224 4.340 -0.006 0.000 0.233 682 R C 2.156 178.460 176.300 0.007 0.000 1.137 682 R CA 2.111 58.219 56.100 0.013 0.000 0.945 682 R CB -0.619 29.692 30.300 0.017 0.000 0.845 682 R HN 0.116 nan 8.270 nan 0.000 0.430 683 R N 0.039 120.541 120.500 0.004 0.000 2.139 683 R HA -0.143 4.194 4.340 -0.006 0.000 0.243 683 R C 2.210 178.505 176.300 -0.008 0.000 1.145 683 R CA 1.538 57.637 56.100 -0.002 0.000 0.976 683 R CB -0.693 29.607 30.300 0.001 0.000 0.866 683 R HN 0.240 nan 8.270 nan 0.000 0.449 684 L N 0.760 121.979 121.223 -0.007 0.000 2.007 684 L HA -0.147 4.189 4.340 -0.006 0.000 0.205 684 L C 2.455 179.318 176.870 -0.012 0.000 1.073 684 L CA 2.506 57.338 54.840 -0.013 0.000 0.744 684 L CB -1.165 40.887 42.059 -0.013 0.000 0.898 684 L HN 0.301 nan 8.230 nan 0.000 0.435 685 T N -3.252 111.300 114.554 -0.004 0.000 2.721 685 T HA -0.255 4.091 4.350 -0.006 0.000 0.268 685 T C 1.665 176.380 174.700 0.026 0.000 1.038 685 T CA 1.783 63.884 62.100 0.001 0.000 1.145 685 T CB -0.849 68.021 68.868 0.003 0.000 0.858 685 T HN 0.384 nan 8.240 nan 0.000 0.459 686 D N 1.025 121.435 120.400 0.017 0.000 2.144 686 D HA 0.085 4.722 4.640 -0.006 0.000 0.200 686 D C 2.096 178.374 176.300 -0.036 0.000 0.978 686 D CA 0.754 54.755 54.000 0.003 0.000 0.833 686 D CB -0.325 40.454 40.800 -0.034 0.000 0.961 686 D HN 0.487 nan 8.370 nan 0.000 0.470 687 I N 0.052 120.599 120.570 -0.037 0.000 2.252 687 I HA -0.216 3.950 4.170 -0.006 0.000 0.245 687 I C 1.945 178.034 176.117 -0.047 0.000 1.102 687 I CA 0.377 61.644 61.300 -0.056 0.000 1.385 687 I CB -0.019 37.952 38.000 -0.048 0.000 1.064 687 I HN 0.003 nan 8.210 nan 0.000 0.414 688 L N 0.278 121.486 121.223 -0.024 0.000 1.989 688 L HA -0.277 4.060 4.340 -0.006 0.000 0.211 688 L C 2.520 179.400 176.870 0.017 0.000 1.071 688 L CA 1.949 56.776 54.840 -0.022 0.000 0.749 688 L CB -1.453 40.591 42.059 -0.024 0.000 0.890 688 L HN 0.310 nan 8.230 nan 0.000 0.431 689 H N -0.616 118.398 119.070 -0.092 0.000 2.252 689 H HA -0.237 4.315 4.556 -0.006 0.000 0.292 689 H C 2.446 177.695 175.328 -0.131 0.000 1.082 689 H CA 2.093 58.079 56.048 -0.103 0.000 1.229 689 H CB 0.005 29.698 29.762 -0.116 0.000 1.353 689 H HN 0.223 nan 8.280 nan 0.000 0.488 690 I N 0.329 120.842 120.570 -0.095 0.000 2.143 690 I HA -0.392 3.774 4.170 -0.006 0.000 0.245 690 I C 2.625 178.703 176.117 -0.065 0.000 1.068 690 I CA 1.662 62.829 61.300 -0.222 0.000 1.326 690 I CB -0.358 37.506 38.000 -0.227 0.000 1.028 690 I HN 0.349 nan 8.210 nan 0.000 0.412 691 S N 0.015 115.684 115.700 -0.052 0.000 2.370 691 S HA -0.243 4.223 4.470 -0.006 0.000 0.226 691 S C 1.823 176.402 174.600 -0.035 0.000 1.033 691 S CA 1.508 59.671 58.200 -0.062 0.000 1.011 691 S CB -0.372 62.779 63.200 -0.082 0.000 0.852 691 S HN 0.495 nan 8.310 nan 0.000 0.457 692 E N 0.597 120.799 120.200 0.003 0.000 2.204 692 E HA -0.070 4.276 4.350 -0.006 0.000 0.195 692 E C 1.835 178.452 176.600 0.027 0.000 0.990 692 E CA 0.779 57.186 56.400 0.011 0.000 0.821 692 E CB -0.187 29.527 29.700 0.022 0.000 0.750 692 E HN 0.455 nan 8.360 nan 0.000 0.477 693 L N -0.207 121.057 121.223 0.068 0.000 2.249 693 L HA -0.066 4.270 4.340 -0.006 0.000 0.207 693 L C 2.009 178.868 176.870 -0.019 0.000 1.090 693 L CA 0.058 54.956 54.840 0.096 0.000 0.802 693 L CB -0.023 42.167 42.059 0.219 0.000 0.947 693 L HN 0.138 nan 8.230 nan 0.000 0.453 694 L N -0.286 120.945 121.223 0.013 0.000 2.362 694 L HA -0.114 4.223 4.340 -0.006 0.000 0.219 694 L C 2.500 179.289 176.870 -0.134 0.000 1.134 694 L CA 1.447 56.261 54.840 -0.043 0.000 0.807 694 L CB -0.692 41.370 42.059 0.006 0.000 0.927 694 L HN 0.253 nan 8.230 nan 0.000 0.447 695 Q N -0.598 119.136 119.800 -0.110 0.000 2.089 695 Q HA -0.099 4.237 4.340 -0.006 0.000 0.195 695 Q C 1.981 177.907 176.000 -0.123 0.000 0.963 695 Q CA 1.023 56.769 55.803 -0.096 0.000 0.834 695 Q CB 0.201 28.899 28.738 -0.067 0.000 0.906 695 Q HN 0.551 nan 8.270 nan 0.000 0.452 696 E N 0.620 120.735 120.200 -0.142 0.000 2.005 696 E HA -0.196 4.150 4.350 -0.006 0.000 0.198 696 E C 1.896 178.337 176.600 -0.264 0.000 1.010 696 E CA 1.147 57.455 56.400 -0.154 0.000 0.825 696 E CB -0.213 29.414 29.700 -0.122 0.000 0.769 696 E HN 0.314 nan 8.360 nan 0.000 0.456 697 A N 1.397 123.904 122.820 -0.522 0.000 2.009 697 A HA -0.237 4.079 4.320 -0.006 0.000 0.222 697 A C 2.374 179.692 177.584 -0.444 0.000 1.175 697 A CA 2.172 53.709 52.037 -0.833 0.000 0.651 697 A CB -1.370 16.463 19.000 -1.944 0.000 0.815 697 A HN 0.407 nan 8.150 nan 0.000 0.459 698 G N -0.599 108.049 108.800 -0.255 0.000 2.433 698 G HA2 -0.179 3.777 3.960 -0.006 0.000 0.216 698 G HA3 -0.179 3.777 3.960 -0.006 0.000 0.216 698 G C 1.493 176.352 174.900 -0.068 0.000 1.186 698 G CA 1.713 46.764 45.100 -0.082 0.000 0.779 698 G HN 0.949 nan 8.290 nan 0.000 0.543 699 T N -1.594 112.916 114.554 -0.074 0.000 3.658 699 T HA 0.252 4.599 4.350 -0.006 0.000 0.250 699 T C 1.057 175.722 174.700 -0.058 0.000 1.060 699 T CA 0.506 62.577 62.100 -0.049 0.000 0.962 699 T CB -0.004 68.840 68.868 -0.040 0.000 1.075 699 T HN 0.332 nan 8.240 nan 0.000 0.610 700 Q N 0.221 119.975 119.800 -0.077 0.000 1.988 700 Q HA 0.359 4.696 4.340 -0.006 0.000 0.199 700 Q C -0.487 175.488 176.000 -0.042 0.000 0.767 700 Q CA -0.024 55.741 55.803 -0.063 0.000 0.966 700 Q CB 1.184 29.866 28.738 -0.093 0.000 1.219 700 Q HN 0.560 nan 8.270 nan 0.000 0.432 701 L N -0.101 121.098 121.223 -0.039 0.000 2.472 701 L HA 0.423 4.760 4.340 -0.006 0.000 0.260 701 L C 0.407 177.270 176.870 -0.011 0.000 0.963 701 L CA -0.552 54.281 54.840 -0.012 0.000 0.829 701 L CB 2.212 44.271 42.059 -0.001 0.000 1.348 701 L HN -0.211 nan 8.230 nan 0.000 0.408 702 E N 0.592 120.788 120.200 -0.006 0.000 2.463 702 E HA 0.131 4.477 4.350 -0.006 0.000 0.193 702 E C -0.153 176.428 176.600 -0.032 0.000 1.041 702 E CA 0.228 56.618 56.400 -0.016 0.000 0.879 702 E CB 0.565 30.258 29.700 -0.011 0.000 0.997 702 E HN 0.450 nan 8.360 nan 0.000 0.478 703 S N -0.165 115.517 115.700 -0.030 0.000 2.521 703 S HA 0.212 4.678 4.470 -0.006 0.000 0.295 703 S C 0.751 175.276 174.600 -0.125 0.000 1.098 703 S CA -0.712 57.451 58.200 -0.061 0.000 0.999 703 S CB 0.911 64.119 63.200 0.013 0.000 1.034 703 S HN 0.111 nan 8.310 nan 0.000 0.483 704 E N 3.393 123.381 120.200 -0.353 0.000 2.058 704 E HA -0.211 4.135 4.350 -0.006 0.000 0.194 704 E C 1.328 177.718 176.600 -0.349 0.000 0.997 704 E CA 1.677 57.680 56.400 -0.661 0.000 0.801 704 E CB -0.826 27.994 29.700 -1.467 0.000 0.746 704 E HN 0.790 nan 8.360 nan 0.000 0.450 705 H N 1.243 120.209 119.070 -0.174 0.000 2.390 705 H HA -0.037 4.516 4.556 -0.006 0.000 0.298 705 H C 2.124 177.481 175.328 0.049 0.000 1.106 705 H CA 1.544 57.573 56.048 -0.032 0.000 1.297 705 H CB -0.383 29.359 29.762 -0.033 0.000 1.375 705 H HN 0.307 nan 8.280 nan 0.000 0.509 706 A N 1.036 123.945 122.820 0.148 0.000 1.978 706 A HA -0.120 4.197 4.320 -0.006 0.000 0.220 706 A C 2.688 180.398 177.584 0.211 0.000 1.170 706 A CA 0.999 53.124 52.037 0.147 0.000 0.636 706 A CB -0.726 18.331 19.000 0.094 0.000 0.810 706 A HN 0.322 nan 8.150 nan 0.000 0.448 707 L N -0.690 120.663 121.223 0.216 0.000 2.068 707 L HA -0.108 4.228 4.340 -0.006 0.000 0.204 707 L C 2.516 179.627 176.870 0.401 0.000 1.076 707 L CA 1.056 56.091 54.840 0.325 0.000 0.753 707 L CB -0.322 41.956 42.059 0.366 0.000 0.910 707 L HN 0.265 nan 8.230 nan 0.000 0.439 708 V N 0.072 120.193 119.914 0.345 0.000 2.250 708 V HA -0.383 3.733 4.120 -0.006 0.000 0.250 708 V C 2.645 178.882 176.094 0.238 0.000 1.060 708 V CA 2.190 64.669 62.300 0.299 0.000 1.030 708 V CB -0.713 31.270 31.823 0.268 0.000 0.643 708 V HN 0.439 nan 8.190 nan 0.000 0.445 709 R N -0.970 119.661 120.500 0.219 0.000 2.094 709 R HA -0.249 4.087 4.340 -0.006 0.000 0.239 709 R C 1.942 178.341 176.300 0.165 0.000 1.137 709 R CA 2.342 58.536 56.100 0.156 0.000 0.943 709 R CB -0.955 29.433 30.300 0.146 0.000 0.850 709 R HN 0.641 nan 8.270 nan 0.000 0.433 710 W N 0.483 121.835 121.300 0.088 0.000 2.305 710 W HA -0.263 4.393 4.660 -0.006 0.000 0.308 710 W C 1.734 178.340 176.519 0.144 0.000 1.226 710 W CA 1.888 59.304 57.345 0.118 0.000 1.253 710 W CB -0.476 29.063 29.460 0.132 0.000 1.146 710 W HN 0.175 nan 8.180 nan 0.000 0.507 711 L N -0.307 121.056 121.223 0.234 0.000 1.937 711 L HA -0.318 4.019 4.340 -0.006 0.000 0.213 711 L C 2.692 179.495 176.870 -0.111 0.000 1.077 711 L CA 2.150 57.031 54.840 0.069 0.000 0.758 711 L CB -1.259 40.911 42.059 0.185 0.000 0.888 711 L HN -0.118 nan 8.230 nan 0.000 0.433 712 S N -0.427 115.239 115.700 -0.056 0.000 2.420 712 S HA -0.437 4.029 4.470 -0.006 0.000 0.278 712 S C 1.690 176.175 174.600 -0.192 0.000 1.111 712 S CA 2.319 60.458 58.200 -0.103 0.000 1.315 712 S CB -0.722 62.444 63.200 -0.057 0.000 1.226 712 S HN 0.414 nan 8.310 nan 0.000 0.444 713 Q N 0.066 119.719 119.800 -0.245 0.000 2.082 713 Q HA -0.194 4.142 4.340 -0.006 0.000 0.211 713 Q C 2.189 177.876 176.000 -0.523 0.000 1.002 713 Q CA 2.051 57.635 55.803 -0.365 0.000 0.868 713 Q CB -0.374 28.106 28.738 -0.430 0.000 0.931 713 Q HN 0.632 nan 8.270 nan 0.000 0.414 714 H N -0.612 118.049 119.070 -0.681 0.000 2.421 714 H HA -0.082 4.470 4.556 -0.006 0.000 0.298 714 H C 2.030 177.003 175.328 -0.592 0.000 1.087 714 H CA 1.352 56.838 56.048 -0.936 0.000 1.330 714 H CB -0.016 28.606 29.762 -1.899 0.000 1.388 714 H HN 0.310 nan 8.280 nan 0.000 0.526 715 I N 0.439 120.854 120.570 -0.258 0.000 2.546 715 I HA -0.201 3.965 4.170 -0.006 0.000 0.255 715 I C 2.159 178.205 176.117 -0.118 0.000 1.163 715 I CA 0.593 61.840 61.300 -0.090 0.000 1.457 715 I CB 0.012 37.969 38.000 -0.072 0.000 1.092 715 I HN 0.122 nan 8.210 nan 0.000 0.434 716 L N -0.205 120.916 121.223 -0.170 0.000 2.102 716 L HA -0.010 4.326 4.340 -0.006 0.000 0.202 716 L C 0.910 177.687 176.870 -0.154 0.000 1.076 716 L CA 0.769 55.522 54.840 -0.145 0.000 0.761 716 L CB -0.043 41.929 42.059 -0.146 0.000 0.921 716 L HN 0.050 nan 8.230 nan 0.000 0.444 717 E N 0.838 120.908 120.200 -0.216 0.000 2.489 717 E HA 0.253 4.599 4.350 -0.006 0.000 0.232 717 E C -2.278 174.186 176.600 -0.227 0.000 0.990 717 E CA -2.143 54.135 56.400 -0.203 0.000 0.768 717 E CB 0.870 30.440 29.700 -0.217 0.000 1.270 717 E HN 0.023 nan 8.360 nan 0.000 0.423 718 P HA 0.389 nan 4.420 nan 0.000 0.346 718 P C -0.412 176.866 177.300 -0.038 0.000 1.303 718 P CA -0.208 62.842 63.100 -0.084 0.000 0.801 718 P CB 0.666 32.363 31.700 -0.006 0.000 1.827 719 D N -2.359 118.052 120.400 0.018 0.000 3.059 719 D HA -0.185 4.451 4.640 -0.006 0.000 0.213 719 D C 0.940 177.255 176.300 0.025 0.000 1.144 719 D CA 1.252 55.266 54.000 0.023 0.000 0.975 719 D CB -1.480 39.318 40.800 -0.002 0.000 1.125 719 D HN 0.323 nan 8.370 nan 0.000 0.412 720 S N -0.713 115.005 115.700 0.030 0.000 2.298 720 S HA -0.185 4.281 4.470 -0.006 0.000 0.261 720 S C 1.072 175.705 174.600 0.055 0.000 1.347 720 S CA 0.932 59.154 58.200 0.037 0.000 2.316 720 S CB -0.690 62.542 63.200 0.053 0.000 0.678 720 S HN 0.540 nan 8.310 nan 0.000 0.358 721 N N 1.034 119.782 118.700 0.081 0.000 2.255 721 N HA 0.410 5.147 4.740 -0.006 0.000 0.253 721 N C 0.664 176.218 175.510 0.075 0.000 1.313 721 N CA 0.141 53.237 53.050 0.077 0.000 0.912 721 N CB 0.060 38.605 38.487 0.097 0.000 1.145 721 N HN 0.613 nan 8.380 nan 0.000 0.511 722 A N -0.268 122.590 122.820 0.063 0.000 2.348 722 A HA 0.044 4.361 4.320 -0.006 0.000 0.224 722 A C 1.676 179.308 177.584 0.080 0.000 1.227 722 A CA -0.066 52.005 52.037 0.056 0.000 0.885 722 A CB -0.334 18.682 19.000 0.027 0.000 0.933 722 A HN 0.613 nan 8.150 nan 0.000 0.506 723 S N 0.003 115.765 115.700 0.103 0.000 2.470 723 S HA -0.064 4.402 4.470 -0.006 0.000 0.225 723 S C 1.505 176.227 174.600 0.204 0.000 1.006 723 S CA 1.096 59.375 58.200 0.133 0.000 0.934 723 S CB -0.446 62.831 63.200 0.128 0.000 0.778 723 S HN 0.787 nan 8.310 nan 0.000 0.517 724 S N 0.084 115.890 115.700 0.177 0.000 2.575 724 S HA 0.309 4.775 4.470 -0.006 0.000 0.237 724 S C 0.315 174.960 174.600 0.075 0.000 0.975 724 S CA -0.731 57.551 58.200 0.138 0.000 0.960 724 S CB -0.222 63.143 63.200 0.274 0.000 0.822 724 S HN 0.478 nan 8.310 nan 0.000 0.472 725 Q N 1.512 121.388 119.800 0.128 0.000 2.368 725 Q HA 0.230 4.566 4.340 -0.006 0.000 0.237 725 Q C -0.196 175.898 176.000 0.158 0.000 0.987 725 Q CA -0.067 55.796 55.803 0.100 0.000 0.896 725 Q CB 0.592 29.374 28.738 0.075 0.000 1.241 725 Q HN 0.520 nan 8.270 nan 0.000 0.485 726 Q N 1.563 121.422 119.800 0.097 0.000 2.297 726 Q HA 0.143 4.480 4.340 -0.006 0.000 0.267 726 Q C -0.446 175.611 176.000 0.095 0.000 1.006 726 Q CA 0.259 56.131 55.803 0.115 0.000 0.896 726 Q CB 0.570 29.343 28.738 0.059 0.000 1.186 726 Q HN 0.365 nan 8.270 nan 0.000 0.392 727 M N 3.593 123.252 119.600 0.097 0.000 2.188 727 M HA 0.167 4.643 4.480 -0.006 0.000 0.354 727 M C -0.037 176.269 176.300 0.010 0.000 1.342 727 M CA -0.112 55.186 55.300 -0.004 0.000 1.117 727 M CB 0.176 32.709 32.600 -0.110 0.000 1.670 727 M HN 0.413 nan 8.290 nan 0.000 0.466 728 R N 2.412 122.915 120.500 0.004 0.000 2.539 728 R HA 0.505 4.841 4.340 -0.006 0.000 0.275 728 R C -0.833 175.474 176.300 0.012 0.000 1.077 728 R CA -0.641 55.467 56.100 0.014 0.000 1.097 728 R CB 0.121 30.429 30.300 0.012 0.000 1.018 728 R HN 0.415 nan 8.270 nan 0.000 0.483 729 L N 1.324 122.561 121.223 0.024 0.000 2.417 729 L HA 0.203 4.540 4.340 -0.006 0.000 0.268 729 L C 0.491 177.384 176.870 0.038 0.000 1.158 729 L CA -0.264 54.593 54.840 0.027 0.000 0.819 729 L CB 0.296 42.377 42.059 0.035 0.000 1.112 729 L HN 0.778 nan 8.230 nan 0.000 0.458 730 E N 1.256 121.478 120.200 0.036 0.000 1.892 730 E HA 0.209 4.555 4.350 -0.006 0.000 0.271 730 E C 0.229 176.880 176.600 0.085 0.000 1.146 730 E CA 0.268 56.700 56.400 0.052 0.000 1.096 730 E CB -0.079 29.642 29.700 0.034 0.000 1.155 730 E HN 0.676 nan 8.360 nan 0.000 0.458 731 S N 0.880 116.656 115.700 0.128 0.000 1.853 731 S HA -0.038 4.429 4.470 -0.006 0.000 0.218 731 S C 0.757 175.508 174.600 0.252 0.000 0.823 731 S CA -0.292 58.022 58.200 0.189 0.000 1.614 731 S CB -0.432 62.823 63.200 0.092 0.000 1.088 731 S HN 0.244 nan 8.310 nan 0.000 0.475 732 D N 2.628 123.114 120.400 0.143 0.000 2.351 732 D HA 0.027 4.664 4.640 -0.006 0.000 0.216 732 D C 1.139 177.481 176.300 0.071 0.000 0.968 732 D CA 0.767 54.830 54.000 0.105 0.000 0.899 732 D CB -0.155 40.685 40.800 0.066 0.000 0.907 732 D HN 0.614 nan 8.370 nan 0.000 0.514 733 K N 0.056 120.478 120.400 0.037 0.000 2.589 733 K HA -0.040 4.276 4.320 -0.006 0.000 0.192 733 K C -0.001 176.287 176.600 -0.520 0.000 1.029 733 K CA 0.470 56.632 56.287 -0.208 0.000 1.031 733 K CB 0.021 32.361 32.500 -0.266 0.000 0.821 733 K HN 0.307 nan 8.250 nan 0.000 0.502 734 H N -0.348 118.762 119.070 0.067 0.000 2.767 734 H HA 0.312 4.864 4.556 -0.006 0.000 0.235 734 H C -1.074 174.305 175.328 0.084 0.000 1.256 734 H CA -0.281 55.817 56.048 0.083 0.000 0.957 734 H CB 0.333 30.148 29.762 0.089 0.000 2.117 734 H HN -0.101 nan 8.280 nan 0.000 0.602 735 L N 1.214 122.511 121.223 0.123 0.000 2.410 735 L HA 0.352 4.688 4.340 -0.006 0.000 0.270 735 L C 0.029 176.925 176.870 0.043 0.000 0.983 735 L CA -1.591 53.299 54.840 0.083 0.000 0.822 735 L CB 2.533 44.638 42.059 0.078 0.000 1.285 735 L HN 0.153 nan 8.230 nan 0.000 0.409 736 V N 2.132 122.043 119.914 -0.005 0.000 2.681 736 V HA -0.023 4.094 4.120 -0.006 0.000 0.306 736 V C 0.007 176.104 176.094 0.004 0.000 1.077 736 V CA 0.187 62.475 62.300 -0.019 0.000 1.224 736 V CB 0.357 32.118 31.823 -0.103 0.000 0.879 736 V HN 0.845 nan 8.190 nan 0.000 0.494 737 Q N 5.700 125.518 119.800 0.031 0.000 2.278 737 Q HA 0.523 4.860 4.340 -0.006 0.000 0.257 737 Q C -0.292 175.696 176.000 -0.021 0.000 0.928 737 Q CA -0.420 55.407 55.803 0.039 0.000 0.932 737 Q CB 2.516 31.330 28.738 0.126 0.000 1.221 737 Q HN 0.941 nan 8.270 nan 0.000 0.434 738 I N 3.203 123.787 120.570 0.024 0.000 2.359 738 I HA 0.437 4.603 4.170 -0.006 0.000 0.284 738 I C -1.241 174.957 176.117 0.136 0.000 1.018 738 I CA -0.644 60.683 61.300 0.045 0.000 1.173 738 I CB 0.788 38.826 38.000 0.062 0.000 1.326 738 I HN 0.403 nan 8.210 nan 0.000 0.462 739 V N 5.954 125.892 119.914 0.039 0.000 3.164 739 V HA 0.658 4.775 4.120 -0.006 0.000 0.313 739 V C -0.099 176.040 176.094 0.075 0.000 1.188 739 V CA -0.086 62.230 62.300 0.027 0.000 1.058 739 V CB 2.633 34.443 31.823 -0.022 0.000 1.110 739 V HN 0.813 nan 8.190 nan 0.000 0.453 740 T N 1.061 115.663 114.554 0.079 0.000 2.907 740 T HA 0.369 4.715 4.350 -0.006 0.000 0.284 740 T C 1.306 176.076 174.700 0.117 0.000 1.004 740 T CA -0.537 61.644 62.100 0.135 0.000 1.063 740 T CB 1.040 70.010 68.868 0.170 0.000 0.992 740 T HN 0.520 nan 8.240 nan 0.000 0.483 741 I N 1.550 122.182 120.570 0.103 0.000 2.182 741 I HA -0.289 3.878 4.170 -0.006 0.000 0.248 741 I C 2.184 178.279 176.117 -0.036 0.000 1.073 741 I CA 2.057 63.359 61.300 0.004 0.000 1.335 741 I CB -1.612 36.350 38.000 -0.063 0.000 1.031 741 I HN 0.811 nan 8.210 nan 0.000 0.420 742 H N 0.948 120.030 119.070 0.020 0.000 2.270 742 H HA -0.048 4.505 4.556 -0.006 0.000 0.299 742 H C 2.193 177.599 175.328 0.129 0.000 1.077 742 H CA 1.248 57.321 56.048 0.043 0.000 1.294 742 H CB -0.215 29.612 29.762 0.108 0.000 1.371 742 H HN 0.164 nan 8.280 nan 0.000 0.491 743 K N 0.742 121.287 120.400 0.242 0.000 2.360 743 K HA -0.070 4.246 4.320 -0.006 0.000 0.201 743 K C 2.045 178.736 176.600 0.151 0.000 1.046 743 K CA 1.155 57.545 56.287 0.170 0.000 0.945 743 K CB -0.012 32.538 32.500 0.083 0.000 0.750 743 K HN 0.416 nan 8.250 nan 0.000 0.464 744 S N 0.202 115.981 115.700 0.132 0.000 2.501 744 S HA 0.006 4.473 4.470 -0.006 0.000 0.220 744 S C 0.906 175.583 174.600 0.129 0.000 0.997 744 S CA -0.012 58.279 58.200 0.152 0.000 0.919 744 S CB 0.078 63.327 63.200 0.082 0.000 0.778 744 S HN 0.048 nan 8.310 nan 0.000 0.523 745 K N 1.514 121.970 120.400 0.093 0.000 2.472 745 K HA 0.226 4.542 4.320 -0.006 0.000 0.280 745 K C 1.290 177.948 176.600 0.097 0.000 1.028 745 K CA 1.135 57.465 56.287 0.072 0.000 1.045 745 K CB -0.082 32.463 32.500 0.075 0.000 0.902 745 K HN 0.516 nan 8.250 nan 0.000 0.478 746 G N 2.849 111.691 108.800 0.070 0.000 2.299 746 G HA2 -0.267 3.690 3.960 -0.006 0.000 0.237 746 G HA3 -0.267 3.690 3.960 -0.006 0.000 0.237 746 G C -0.189 174.738 174.900 0.043 0.000 1.027 746 G CA -0.053 45.082 45.100 0.058 0.000 0.619 746 G HN 0.478 nan 8.290 nan 0.000 0.513 747 L N 1.254 122.521 121.223 0.075 0.000 2.418 747 L HA 0.699 5.035 4.340 -0.006 0.000 0.265 747 L C 0.516 177.402 176.870 0.026 0.000 1.143 747 L CA -0.160 54.700 54.840 0.033 0.000 0.809 747 L CB 1.455 43.603 42.059 0.149 0.000 1.124 747 L HN 0.386 nan 8.230 nan 0.000 0.456 748 E N 1.091 121.177 120.200 -0.189 0.000 2.212 748 E HA 0.508 4.854 4.350 -0.006 0.000 0.268 748 E C -1.872 174.512 176.600 -0.359 0.000 0.902 748 E CA -0.604 55.724 56.400 -0.120 0.000 0.779 748 E CB 1.342 30.987 29.700 -0.091 0.000 1.172 748 E HN 0.418 nan 8.360 nan 0.000 0.409 749 Y N 2.388 122.713 120.300 0.043 0.000 2.441 749 Y HA 0.238 4.784 4.550 -0.007 0.000 0.334 749 Y C -2.044 173.928 175.900 0.119 0.000 1.061 749 Y CA -1.773 56.370 58.100 0.071 0.000 1.032 749 Y CB 1.919 40.415 38.460 0.061 0.000 1.266 749 Y HN 0.486 nan 8.280 nan 0.000 0.441 750 P HA -0.163 nan 4.420 nan 0.000 0.215 750 P C -0.570 176.916 177.300 0.310 0.000 1.163 750 P CA 1.847 65.198 63.100 0.419 0.000 0.894 750 P CB 0.394 32.237 31.700 0.238 0.000 0.791 751 L N -1.771 119.548 121.223 0.160 0.000 2.408 751 L HA 0.547 4.884 4.340 -0.006 0.000 0.268 751 L C -0.398 176.585 176.870 0.188 0.000 0.986 751 L CA -1.185 53.703 54.840 0.079 0.000 0.820 751 L CB 2.549 44.538 42.059 -0.115 0.000 1.303 751 L HN -0.273 nan 8.230 nan 0.000 0.411 752 V N -1.218 118.788 119.914 0.154 0.000 2.962 752 V HA 0.671 4.787 4.120 -0.006 0.000 0.313 752 V C -2.043 174.123 176.094 0.121 0.000 1.099 752 V CA -0.552 61.810 62.300 0.104 0.000 0.971 752 V CB 2.415 34.235 31.823 -0.005 0.000 1.028 752 V HN 0.801 nan 8.190 nan 0.000 0.430 753 W N 3.418 124.690 121.300 -0.046 0.000 2.739 753 W HA 0.775 5.431 4.660 -0.006 0.000 0.331 753 W C -1.155 175.276 176.519 -0.147 0.000 1.049 753 W CA -0.625 56.668 57.345 -0.086 0.000 1.234 753 W CB 2.462 31.815 29.460 -0.178 0.000 1.404 753 W HN 0.504 nan 8.180 nan 0.000 0.477 754 L N 7.560 128.857 121.223 0.123 0.000 2.599 754 L HA 0.273 4.610 4.340 -0.006 0.000 0.241 754 L C -1.215 175.706 176.870 0.085 0.000 1.207 754 L CA -2.439 52.432 54.840 0.051 0.000 0.987 754 L CB 0.220 42.287 42.059 0.014 0.000 1.318 754 L HN 0.234 nan 8.230 nan 0.000 0.458 755 P HA -0.175 nan 4.420 nan 0.000 0.216 755 P C 0.564 177.626 177.300 -0.397 0.000 1.150 755 P CA 1.591 64.475 63.100 -0.361 0.000 0.843 755 P CB 0.106 31.160 31.700 -1.076 0.000 0.787 756 F N -1.718 118.246 119.950 0.023 0.000 2.879 756 F HA 0.305 4.828 4.527 -0.006 0.000 0.354 756 F C 1.413 177.358 175.800 0.242 0.000 1.291 756 F CA -0.806 57.199 58.000 0.008 0.000 1.238 756 F CB -0.100 38.836 39.000 -0.106 0.000 1.005 756 F HN -0.270 nan 8.300 nan 0.000 0.508 757 I N 0.472 121.265 120.570 0.371 0.000 3.550 757 I HA -0.054 4.112 4.170 -0.006 0.000 0.295 757 I C 1.576 177.848 176.117 0.258 0.000 1.291 757 I CA 1.271 62.728 61.300 0.260 0.000 1.298 757 I CB -0.593 37.500 38.000 0.155 0.000 1.026 757 I HN 0.124 nan 8.210 nan 0.000 0.491 758 T N -0.349 114.424 114.554 0.364 0.000 3.023 758 T HA 0.171 4.517 4.350 -0.006 0.000 0.249 758 T C 1.009 175.858 174.700 0.249 0.000 1.050 758 T CA -0.262 61.933 62.100 0.160 0.000 1.088 758 T CB -0.086 68.672 68.868 -0.182 0.000 0.946 758 T HN 0.200 nan 8.240 nan 0.000 0.480 759 N N 1.396 120.303 118.700 0.345 0.000 2.239 759 N HA 0.028 4.764 4.740 -0.006 0.000 0.225 759 N C 0.375 176.060 175.510 0.291 0.000 1.283 759 N CA 0.826 54.011 53.050 0.225 0.000 0.868 759 N CB 0.303 38.886 38.487 0.159 0.000 1.098 759 N HN 0.343 nan 8.380 nan 0.000 0.436 760 F N -1.695 118.278 119.950 0.038 0.000 2.300 760 F HA 0.419 4.942 4.527 -0.006 0.000 0.307 760 F C -0.049 175.761 175.800 0.017 0.000 0.847 760 F CA -0.552 57.458 58.000 0.017 0.000 1.076 760 F CB 0.000 38.989 39.000 -0.019 0.000 1.075 760 F HN 0.189 nan 8.300 nan 0.000 0.702 761 R N 1.931 122.264 120.500 -0.279 0.000 1.933 761 R HA -0.055 4.281 4.340 -0.006 0.000 0.367 761 R C -1.002 175.352 176.300 0.091 0.000 1.206 761 R CA 0.327 56.356 56.100 -0.118 0.000 1.060 761 R CB -1.235 29.023 30.300 -0.069 0.000 3.102 761 R HN 0.272 nan 8.270 nan 0.000 0.490 762 V N 3.895 123.888 119.914 0.131 0.000 2.740 762 V HA -0.023 4.093 4.120 -0.006 0.000 0.303 762 V C 1.075 177.232 176.094 0.105 0.000 1.054 762 V CA 0.174 62.568 62.300 0.157 0.000 1.106 762 V CB 1.407 33.321 31.823 0.152 0.000 0.957 762 V HN 0.426 nan 8.190 nan 0.000 0.486 763 Q N 3.107 122.975 119.800 0.114 0.000 2.293 763 Q HA 0.126 4.462 4.340 -0.006 0.000 0.263 763 Q C 0.455 176.520 176.000 0.109 0.000 1.002 763 Q CA 0.112 55.986 55.803 0.118 0.000 0.910 763 Q CB 1.283 30.108 28.738 0.144 0.000 1.185 763 Q HN 0.698 nan 8.270 nan 0.000 0.401 764 E N 1.940 122.202 120.200 0.103 0.000 2.372 764 E HA 0.046 4.392 4.350 -0.006 0.000 0.201 764 E C -0.245 176.425 176.600 0.117 0.000 0.938 764 E CA 0.271 56.727 56.400 0.094 0.000 0.944 764 E CB 0.568 30.311 29.700 0.071 0.000 0.937 764 E HN 0.572 nan 8.360 nan 0.000 0.495 765 Q N 0.708 120.593 119.800 0.142 0.000 2.296 765 Q HA 0.281 4.617 4.340 -0.006 0.000 0.263 765 Q C -0.375 175.763 176.000 0.231 0.000 1.026 765 Q CA -0.244 55.668 55.803 0.181 0.000 0.912 765 Q CB 1.039 29.893 28.738 0.194 0.000 1.198 765 Q HN 0.014 nan 8.270 nan 0.000 0.407 766 A N 5.115 128.063 122.820 0.213 0.000 3.076 766 A HA 0.022 4.338 4.320 -0.006 0.000 0.269 766 A C -0.631 177.127 177.584 0.289 0.000 1.916 766 A CA 0.187 52.368 52.037 0.240 0.000 1.492 766 A CB -0.858 18.258 19.000 0.192 0.000 1.000 766 A HN 0.573 nan 8.150 nan 0.000 0.615 767 F N 3.098 123.135 119.950 0.145 0.000 2.403 767 F HA 0.616 5.139 4.527 -0.006 0.000 0.355 767 F C -0.604 175.227 175.800 0.052 0.000 1.119 767 F CA -1.367 56.649 58.000 0.026 0.000 1.007 767 F CB 0.772 39.825 39.000 0.089 0.000 1.194 767 F HN 0.475 nan 8.300 nan 0.000 0.443 768 Y N 2.989 122.919 120.300 -0.617 0.000 2.669 768 Y HA 0.624 5.171 4.550 -0.006 0.000 0.335 768 Y C -1.531 173.899 175.900 -0.783 0.000 1.116 768 Y CA -1.413 56.395 58.100 -0.487 0.000 1.081 768 Y CB 1.151 39.506 38.460 -0.176 0.000 1.297 768 Y HN 0.408 nan 8.280 nan 0.000 0.484 769 H N 1.431 120.316 119.070 -0.309 0.000 2.481 769 H HA 0.170 4.722 4.556 -0.006 0.000 0.333 769 H C -1.129 174.040 175.328 -0.264 0.000 1.066 769 H CA -0.722 54.965 56.048 -0.603 0.000 1.209 769 H CB 1.925 30.868 29.762 -1.365 0.000 1.445 769 H HN 0.793 nan 8.280 nan 0.000 0.488 770 D N 2.500 122.885 120.400 -0.024 0.000 2.401 770 D HA -0.052 4.585 4.640 -0.006 0.000 0.254 770 D C 0.646 176.999 176.300 0.088 0.000 1.192 770 D CA -0.112 53.968 54.000 0.133 0.000 0.885 770 D CB 0.732 41.616 40.800 0.139 0.000 1.147 770 D HN 0.423 nan 8.370 nan 0.000 0.478 771 R N 2.076 122.608 120.500 0.053 0.000 2.377 771 R HA -0.077 4.259 4.340 -0.006 0.000 0.207 771 R C 1.190 177.433 176.300 -0.094 0.000 1.075 771 R CA 0.904 57.051 56.100 0.079 0.000 1.035 771 R CB -0.158 30.115 30.300 -0.046 0.000 0.857 771 R HN 0.551 nan 8.270 nan 0.000 0.475 772 H N -2.320 116.777 119.070 0.046 0.000 2.393 772 H HA 0.202 4.754 4.556 -0.006 0.000 0.301 772 H C 1.616 176.802 175.328 -0.235 0.000 1.019 772 H CA 1.467 57.451 56.048 -0.107 0.000 1.311 772 H CB 0.025 29.759 29.762 -0.046 0.000 1.475 772 H HN 0.229 nan 8.280 nan 0.000 0.572 773 S N 0.202 115.924 115.700 0.036 0.000 2.548 773 S HA 0.055 4.522 4.470 -0.006 0.000 0.215 773 S C 0.592 175.252 174.600 0.101 0.000 0.976 773 S CA -0.409 57.792 58.200 0.002 0.000 0.908 773 S CB -0.636 62.591 63.200 0.045 0.000 0.781 773 S HN 0.406 nan 8.310 nan 0.000 0.519 774 F N 1.608 121.552 119.950 -0.009 0.000 3.067 774 F HA -0.207 4.317 4.527 -0.006 0.000 0.279 774 F C 0.011 175.778 175.800 -0.055 0.000 0.945 774 F CA 0.132 58.094 58.000 -0.062 0.000 0.948 774 F CB -1.680 37.362 39.000 0.071 0.000 0.898 774 F HN 0.431 nan 8.300 nan 0.000 0.746 775 E N 0.397 120.652 120.200 0.091 0.000 2.221 775 E HA 0.662 5.009 4.350 -0.006 0.000 0.268 775 E C -0.153 176.373 176.600 -0.123 0.000 0.933 775 E CA -0.705 55.716 56.400 0.035 0.000 0.809 775 E CB 1.754 31.450 29.700 -0.005 0.000 1.190 775 E HN 0.220 nan 8.360 nan 0.000 0.406 776 A N 2.294 125.024 122.820 -0.149 0.000 2.410 776 A HA 0.325 4.641 4.320 -0.006 0.000 0.292 776 A C -0.251 176.992 177.584 -0.567 0.000 1.232 776 A CA -0.339 51.353 52.037 -0.576 0.000 0.893 776 A CB -0.169 18.724 19.000 -0.178 0.000 1.131 776 A HN 0.313 nan 8.150 nan 0.000 0.530 777 V N 3.728 123.092 119.914 -0.917 0.000 2.547 777 V HA 0.401 4.518 4.120 -0.006 0.000 0.299 777 V C -0.393 175.240 176.094 -0.769 0.000 1.040 777 V CA -0.597 61.239 62.300 -0.774 0.000 0.913 777 V CB 1.598 32.873 31.823 -0.913 0.000 0.992 777 V HN 0.759 nan 8.190 nan 0.000 0.449 778 L N 3.946 124.948 121.223 -0.369 0.000 2.337 778 L HA 0.541 4.877 4.340 -0.006 0.000 0.269 778 L C -0.300 176.510 176.870 -0.099 0.000 1.018 778 L CA -0.172 54.556 54.840 -0.188 0.000 0.876 778 L CB 0.971 42.911 42.059 -0.198 0.000 1.236 778 L HN 0.612 nan 8.230 nan 0.000 0.436 779 D N 4.524 124.917 120.400 -0.012 0.000 2.383 779 D HA 0.072 4.708 4.640 -0.006 0.000 0.245 779 D C 1.020 177.361 176.300 0.068 0.000 1.263 779 D CA 0.120 54.164 54.000 0.073 0.000 0.936 779 D CB 0.519 41.430 40.800 0.185 0.000 1.053 779 D HN 0.616 nan 8.370 nan 0.000 0.507 780 L N 3.204 124.453 121.223 0.044 0.000 2.821 780 L HA -0.022 4.315 4.340 -0.006 0.000 0.254 780 L C 0.127 177.039 176.870 0.070 0.000 1.151 780 L CA 0.396 55.272 54.840 0.060 0.000 0.937 780 L CB -0.485 41.607 42.059 0.055 0.000 1.141 780 L HN 0.191 nan 8.230 nan 0.000 0.425 781 N N 0.305 119.049 118.700 0.072 0.000 2.454 781 N HA 0.238 4.974 4.740 -0.006 0.000 0.291 781 N C -0.170 175.383 175.510 0.072 0.000 1.079 781 N CA -0.310 52.778 53.050 0.064 0.000 0.893 781 N CB 1.908 40.428 38.487 0.055 0.000 1.512 781 N HN -0.115 nan 8.380 nan 0.000 0.497 782 A N 1.441 124.300 122.820 0.065 0.000 3.179 782 A HA 0.270 4.586 4.320 -0.006 0.000 0.268 782 A C 0.814 178.430 177.584 0.054 0.000 2.022 782 A CA -0.187 51.890 52.037 0.067 0.000 1.504 782 A CB -1.137 17.896 19.000 0.056 0.000 0.897 782 A HN 0.659 nan 8.150 nan 0.000 0.600 783 A N 2.365 125.219 122.820 0.057 0.000 2.444 783 A HA 0.504 4.821 4.320 -0.006 0.000 0.287 783 A C -0.789 176.809 177.584 0.023 0.000 1.195 783 A CA -1.197 50.863 52.037 0.037 0.000 0.858 783 A CB 0.014 19.037 19.000 0.038 0.000 1.117 783 A HN 0.442 nan 8.150 nan 0.000 0.521 784 P HA -0.262 nan 4.420 nan 0.000 0.219 784 P C 0.956 178.249 177.300 -0.011 0.000 1.153 784 P CA 1.886 64.993 63.100 0.011 0.000 0.865 784 P CB 0.272 31.978 31.700 0.011 0.000 0.788 785 E N -0.681 119.502 120.200 -0.028 0.000 2.038 785 E HA -0.152 4.194 4.350 -0.006 0.000 0.195 785 E C 2.124 178.639 176.600 -0.142 0.000 1.000 785 E CA 1.997 58.356 56.400 -0.069 0.000 0.803 785 E CB -1.098 28.561 29.700 -0.068 0.000 0.750 785 E HN 0.313 nan 8.360 nan 0.000 0.448 786 S N 0.188 115.789 115.700 -0.165 0.000 2.428 786 S HA -0.078 4.388 4.470 -0.006 0.000 0.230 786 S C 2.166 176.716 174.600 -0.083 0.000 1.014 786 S CA 0.866 58.879 58.200 -0.311 0.000 0.957 786 S CB -0.288 62.862 63.200 -0.085 0.000 0.784 786 S HN 0.036 nan 8.310 nan 0.000 0.499 787 V N 2.573 122.493 119.914 0.011 0.000 2.379 787 V HA -0.148 3.969 4.120 -0.006 0.000 0.245 787 V C 2.137 178.256 176.094 0.042 0.000 1.044 787 V CA 1.844 64.184 62.300 0.066 0.000 1.036 787 V CB -0.923 30.940 31.823 0.067 0.000 0.664 787 V HN 0.303 nan 8.190 nan 0.000 0.453 788 D N 0.409 120.810 120.400 0.002 0.000 2.116 788 D HA -0.187 4.450 4.640 -0.006 0.000 0.193 788 D C 2.115 178.419 176.300 0.007 0.000 0.998 788 D CA 1.414 55.414 54.000 0.001 0.000 0.836 788 D CB -0.321 40.468 40.800 -0.018 0.000 0.951 788 D HN 0.303 nan 8.370 nan 0.000 0.449 789 L N 0.235 121.432 121.223 -0.044 0.000 2.012 789 L HA -0.221 4.115 4.340 -0.006 0.000 0.210 789 L C 2.453 179.389 176.870 0.110 0.000 1.073 789 L CA 1.344 56.172 54.840 -0.020 0.000 0.748 789 L CB -0.452 41.462 42.059 -0.243 0.000 0.891 789 L HN 0.038 nan 8.230 nan 0.000 0.431 790 A N -0.730 122.174 122.820 0.140 0.000 1.858 790 A HA -0.239 4.077 4.320 -0.006 0.000 0.216 790 A C 2.243 179.934 177.584 0.178 0.000 1.190 790 A CA 1.612 53.780 52.037 0.218 0.000 0.617 790 A CB -0.574 18.571 19.000 0.241 0.000 0.827 790 A HN 0.347 nan 8.150 nan 0.000 0.443 791 E N 0.062 120.338 120.200 0.126 0.000 2.171 791 E HA -0.210 4.137 4.350 -0.006 0.000 0.197 791 E C 2.211 178.855 176.600 0.074 0.000 0.997 791 E CA 1.249 57.707 56.400 0.096 0.000 0.810 791 E CB -0.382 29.357 29.700 0.065 0.000 0.738 791 E HN 0.533 nan 8.360 nan 0.000 0.467 792 A N 1.105 123.972 122.820 0.077 0.000 1.841 792 A HA -0.187 4.129 4.320 -0.006 0.000 0.214 792 A C 2.003 179.612 177.584 0.041 0.000 1.195 792 A CA 1.573 53.638 52.037 0.048 0.000 0.611 792 A CB -0.573 18.478 19.000 0.085 0.000 0.835 792 A HN 0.257 nan 8.150 nan 0.000 0.443 793 E N -0.654 119.639 120.200 0.155 0.000 2.267 793 E HA -0.218 4.128 4.350 -0.006 0.000 0.197 793 E C 2.184 178.860 176.600 0.126 0.000 0.998 793 E CA 0.778 57.296 56.400 0.198 0.000 0.830 793 E CB -0.182 29.769 29.700 0.419 0.000 0.751 793 E HN 0.505 nan 8.360 nan 0.000 0.491 794 R N 1.111 121.683 120.500 0.121 0.000 2.082 794 R HA -0.176 4.160 4.340 -0.006 0.000 0.228 794 R C 2.431 178.767 176.300 0.060 0.000 1.140 794 R CA 1.849 58.016 56.100 0.112 0.000 0.920 794 R CB -0.383 29.986 30.300 0.115 0.000 0.828 794 R HN 0.202 nan 8.270 nan 0.000 0.430 795 L N -0.649 120.583 121.223 0.015 0.000 2.362 795 L HA 0.168 4.504 4.340 -0.006 0.000 0.219 795 L C 2.250 179.083 176.870 -0.062 0.000 1.134 795 L CA 1.738 56.566 54.840 -0.020 0.000 0.807 795 L CB -0.989 41.030 42.059 -0.067 0.000 0.927 795 L HN 0.120 nan 8.230 nan 0.000 0.447 796 A N -0.216 122.533 122.820 -0.118 0.000 2.070 796 A HA -0.205 4.112 4.320 -0.006 0.000 0.220 796 A C 2.405 179.930 177.584 -0.098 0.000 1.159 796 A CA 1.825 53.711 52.037 -0.251 0.000 0.656 796 A CB -0.502 18.176 19.000 -0.538 0.000 0.800 796 A HN 0.654 nan 8.150 nan 0.000 0.453 797 E N -0.912 119.283 120.200 -0.009 0.000 2.251 797 E HA -0.089 4.258 4.350 -0.006 0.000 0.194 797 E C 0.908 177.547 176.600 0.065 0.000 0.964 797 E CA 0.415 56.842 56.400 0.046 0.000 0.868 797 E CB 0.092 29.848 29.700 0.092 0.000 0.828 797 E HN 0.454 nan 8.360 nan 0.000 0.481 798 D N 1.028 121.463 120.400 0.058 0.000 2.117 798 D HA -0.155 4.481 4.640 -0.006 0.000 0.197 798 D C 2.086 178.432 176.300 0.076 0.000 0.987 798 D CA 0.826 54.867 54.000 0.068 0.000 0.829 798 D CB -0.163 40.673 40.800 0.060 0.000 0.961 798 D HN 0.218 nan 8.370 nan 0.000 0.460 799 L N 0.244 121.502 121.223 0.058 0.000 2.012 799 L HA -0.161 4.175 4.340 -0.006 0.000 0.210 799 L C 2.625 179.678 176.870 0.305 0.000 1.073 799 L CA 1.160 56.056 54.840 0.093 0.000 0.748 799 L CB -0.325 41.728 42.059 -0.009 0.000 0.891 799 L HN -0.045 nan 8.230 nan 0.000 0.431 800 R N -0.144 120.530 120.500 0.290 0.000 2.139 800 R HA -0.177 4.159 4.340 -0.006 0.000 0.243 800 R C 2.293 178.702 176.300 0.182 0.000 1.145 800 R CA 1.338 57.594 56.100 0.261 0.000 0.976 800 R CB -0.228 30.121 30.300 0.080 0.000 0.866 800 R HN 0.348 nan 8.270 nan 0.000 0.449 801 L N 0.021 121.310 121.223 0.111 0.000 2.095 801 L HA -0.138 4.198 4.340 -0.006 0.000 0.204 801 L C 2.398 179.323 176.870 0.092 0.000 1.080 801 L CA 0.720 55.581 54.840 0.035 0.000 0.759 801 L CB -0.293 41.774 42.059 0.014 0.000 0.914 801 L HN 0.283 nan 8.230 nan 0.000 0.439 802 L N -0.994 120.323 121.223 0.157 0.000 2.013 802 L HA -0.334 4.002 4.340 -0.006 0.000 0.212 802 L C 2.683 179.708 176.870 0.259 0.000 1.073 802 L CA 1.836 56.789 54.840 0.188 0.000 0.753 802 L CB -0.413 41.758 42.059 0.188 0.000 0.890 802 L HN 0.285 nan 8.230 nan 0.000 0.432 803 Y N 0.017 120.453 120.300 0.227 0.000 2.128 803 Y HA -0.275 4.272 4.550 -0.006 0.000 0.284 803 Y C 2.340 178.200 175.900 -0.068 0.000 1.154 803 Y CA 2.089 60.170 58.100 -0.031 0.000 1.149 803 Y CB -0.538 37.920 38.460 -0.004 0.000 0.976 803 Y HN -0.052 nan 8.280 nan 0.000 0.505 804 V N 0.279 120.164 119.914 -0.048 0.000 2.427 804 V HA -0.300 3.816 4.120 -0.006 0.000 0.248 804 V C 2.665 178.679 176.094 -0.135 0.000 1.051 804 V CA 1.635 63.849 62.300 -0.143 0.000 1.048 804 V CB -1.621 30.159 31.823 -0.072 0.000 0.666 804 V HN 0.559 nan 8.190 nan 0.000 0.456 805 A N 0.096 122.874 122.820 -0.070 0.000 1.858 805 A HA -0.159 4.157 4.320 -0.006 0.000 0.216 805 A C 2.067 179.605 177.584 -0.076 0.000 1.190 805 A CA 1.750 53.756 52.037 -0.051 0.000 0.617 805 A CB -0.571 18.425 19.000 -0.007 0.000 0.827 805 A HN 0.400 nan 8.150 nan 0.000 0.443 806 L N -0.062 121.108 121.223 -0.088 0.000 2.141 806 L HA -0.082 4.254 4.340 -0.006 0.000 0.209 806 L C 2.497 179.269 176.870 -0.162 0.000 1.094 806 L CA 2.130 56.907 54.840 -0.104 0.000 0.763 806 L CB -1.785 40.240 42.059 -0.056 0.000 0.908 806 L HN 0.334 nan 8.230 nan 0.000 0.437 807 T N -0.640 113.755 114.554 -0.264 0.000 3.007 807 T HA -0.103 4.243 4.350 -0.006 0.000 0.270 807 T C 1.942 176.566 174.700 -0.127 0.000 1.107 807 T CA 0.594 62.526 62.100 -0.282 0.000 1.118 807 T CB -0.040 68.549 68.868 -0.465 0.000 0.889 807 T HN 0.225 nan 8.240 nan 0.000 0.506 808 R N 1.943 122.405 120.500 -0.063 0.000 2.148 808 R HA 0.096 4.433 4.340 -0.006 0.000 0.223 808 R C 1.462 177.821 176.300 0.098 0.000 1.088 808 R CA 0.307 56.437 56.100 0.051 0.000 0.985 808 R CB -0.765 29.585 30.300 0.083 0.000 0.880 808 R HN 0.487 nan 8.270 nan 0.000 0.451 809 S N -0.027 115.695 115.700 0.036 0.000 2.584 809 S HA 0.269 4.735 4.470 -0.006 0.000 0.273 809 S C 1.375 175.988 174.600 0.023 0.000 1.311 809 S CA -0.829 57.407 58.200 0.060 0.000 1.034 809 S CB 2.053 65.257 63.200 0.006 0.000 0.939 809 S HN -0.148 nan 8.310 nan 0.000 0.513 810 V N 0.553 120.498 119.914 0.052 0.000 2.490 810 V HA 0.037 4.153 4.120 -0.006 0.000 0.238 810 V C 1.494 177.491 176.094 -0.161 0.000 1.056 810 V CA 0.877 63.109 62.300 -0.114 0.000 1.075 810 V CB -0.869 30.807 31.823 -0.245 0.000 0.746 810 V HN 1.009 nan 8.190 nan 0.000 0.479 811 W N -0.888 120.397 121.300 -0.026 0.000 2.574 811 W HA 0.289 4.947 4.660 -0.005 0.000 0.282 811 W C 1.267 177.793 176.519 0.012 0.000 1.197 811 W CA 0.817 58.157 57.345 -0.009 0.000 1.376 811 W CB 0.022 29.462 29.460 -0.034 0.000 1.091 811 W HN 0.289 nan 8.180 nan 0.000 0.569 812 H N -1.194 117.900 119.070 0.040 0.000 3.042 812 H HA 0.391 4.943 4.556 -0.006 0.000 0.346 812 H C -1.440 173.836 175.328 -0.086 0.000 1.294 812 H CA -1.334 54.675 56.048 -0.066 0.000 1.141 812 H CB 1.853 31.504 29.762 -0.184 0.000 1.872 812 H HN -0.059 nan 8.280 nan 0.000 0.541 813 C N 3.627 122.342 119.300 -0.975 0.000 2.752 813 C HA 0.638 5.094 4.460 -0.006 0.000 0.360 813 C C -1.150 173.349 174.990 -0.817 0.000 1.081 813 C CA 0.092 58.718 59.018 -0.653 0.000 1.272 813 C CB 0.209 27.772 27.740 -0.295 0.000 1.754 813 C HN 0.766 nan 8.230 nan 0.000 0.483 814 S N 7.226 122.562 115.700 -0.608 0.000 2.519 814 S HA 0.821 5.287 4.470 -0.006 0.000 0.309 814 S C -0.669 173.533 174.600 -0.663 0.000 1.100 814 S CA -0.724 57.197 58.200 -0.465 0.000 1.059 814 S CB 1.373 64.514 63.200 -0.098 0.000 1.008 814 S HN 1.069 nan 8.310 nan 0.000 0.478 815 L N 0.421 121.489 121.223 -0.259 0.000 2.322 815 L HA 0.934 5.270 4.340 -0.006 0.000 0.269 815 L C 0.204 177.148 176.870 0.122 0.000 1.012 815 L CA -0.801 53.978 54.840 -0.102 0.000 0.815 815 L CB 0.292 42.345 42.059 -0.009 0.000 1.295 815 L HN 0.860 nan 8.230 nan 0.000 0.438 816 G N 0.858 109.818 108.800 0.267 0.000 2.322 816 G HA2 0.544 4.500 3.960 -0.006 0.000 0.309 816 G HA3 0.544 4.500 3.960 -0.006 0.000 0.309 816 G C -0.699 174.467 174.900 0.444 0.000 1.121 816 G CA -0.305 45.061 45.100 0.443 0.000 0.886 816 G HN 0.454 nan 8.290 nan 0.000 0.447 817 V N 1.001 121.117 119.914 0.337 0.000 2.680 817 V HA 0.906 5.022 4.120 -0.006 0.000 0.309 817 V C 0.237 176.382 176.094 0.084 0.000 1.052 817 V CA -0.564 61.819 62.300 0.138 0.000 0.908 817 V CB 1.459 33.325 31.823 0.073 0.000 1.001 817 V HN 1.224 nan 8.190 nan 0.000 0.431 818 A N 4.482 127.226 122.820 -0.128 0.000 2.594 818 A HA 0.847 5.163 4.320 -0.006 0.000 0.295 818 A C -2.933 174.579 177.584 -0.120 0.000 1.071 818 A CA -1.344 50.636 52.037 -0.094 0.000 0.685 818 A CB 2.119 21.063 19.000 -0.094 0.000 1.285 818 A HN 0.580 nan 8.150 nan 0.000 0.405 819 P HA 0.147 nan 4.420 nan 0.000 0.232 819 P C -0.175 177.114 177.300 -0.019 0.000 1.738 819 P CA 0.151 63.232 63.100 -0.033 0.000 0.948 819 P CB -0.369 31.325 31.700 -0.011 0.000 1.943 820 L N 1.154 122.348 121.223 -0.049 0.000 2.529 820 L HA 0.061 4.398 4.340 -0.006 0.000 0.287 820 L C 0.342 177.260 176.870 0.081 0.000 1.241 820 L CA 0.549 55.391 54.840 0.003 0.000 0.857 820 L CB 0.531 42.593 42.059 0.005 0.000 1.113 820 L HN 0.019 nan 8.230 nan 0.000 0.504 821 V N 4.823 124.792 119.914 0.090 0.000 2.624 821 V HA 0.268 4.384 4.120 -0.006 0.000 0.294 821 V C 0.330 176.477 176.094 0.088 0.000 1.077 821 V CA -0.716 61.647 62.300 0.105 0.000 0.905 821 V CB 1.560 33.421 31.823 0.064 0.000 1.025 821 V HN 0.765 nan 8.190 nan 0.000 0.440 822 R N 1.918 122.497 120.500 0.132 0.000 2.087 822 R HA 0.201 4.537 4.340 -0.006 0.000 0.216 822 R C 1.222 177.557 176.300 0.059 0.000 1.114 822 R CA -0.181 55.956 56.100 0.062 0.000 1.002 822 R CB 0.248 30.578 30.300 0.049 0.000 0.903 822 R HN 0.603 nan 8.270 nan 0.000 0.445 823 R N 2.302 122.854 120.500 0.086 0.000 2.494 823 R HA -0.095 4.241 4.340 -0.006 0.000 0.291 823 R C -0.070 176.255 176.300 0.041 0.000 0.953 823 R CA 0.366 56.503 56.100 0.061 0.000 1.098 823 R CB 0.417 30.758 30.300 0.067 0.000 0.911 823 R HN -0.094 nan 8.270 nan 0.000 0.407 824 R N 2.704 123.221 120.500 0.029 0.000 2.346 824 R HA 0.080 4.416 4.340 -0.006 0.000 0.208 824 R C 0.440 176.752 176.300 0.021 0.000 1.052 824 R CA 0.599 56.712 56.100 0.021 0.000 1.116 824 R CB 0.118 30.426 30.300 0.014 0.000 1.003 824 R HN 0.657 nan 8.270 nan 0.000 0.482 825 G N 0.208 109.024 108.800 0.026 0.000 2.349 825 G HA2 0.005 3.961 3.960 -0.006 0.000 0.281 825 G HA3 0.005 3.961 3.960 -0.006 0.000 0.281 825 G C -0.589 174.323 174.900 0.021 0.000 1.182 825 G CA -0.539 44.574 45.100 0.023 0.000 0.899 825 G HN 0.122 nan 8.290 nan 0.000 0.455 826 D N 1.874 122.284 120.400 0.016 0.000 2.419 826 D HA -0.033 4.603 4.640 -0.006 0.000 0.281 826 D C 1.023 177.330 176.300 0.013 0.000 1.398 826 D CA 0.512 54.520 54.000 0.014 0.000 1.047 826 D CB 0.478 41.285 40.800 0.011 0.000 1.115 826 D HN 0.426 nan 8.370 nan 0.000 0.540 827 K N 2.438 122.847 120.400 0.015 0.000 4.637 827 K HA -0.249 4.067 4.320 -0.006 0.000 0.266 827 K C -0.353 176.250 176.600 0.006 0.000 0.693 827 K CA 0.711 57.005 56.287 0.012 0.000 0.637 827 K CB -0.800 31.707 32.500 0.011 0.000 2.120 827 K HN 0.332 nan 8.250 nan 0.000 0.385 828 K N 1.572 121.975 120.400 0.006 0.000 3.129 828 K HA 0.221 4.537 4.320 -0.006 0.000 0.241 828 K C 0.860 177.454 176.600 -0.009 0.000 1.239 828 K CA 0.205 56.492 56.287 -0.000 0.000 1.239 828 K CB 0.085 32.586 32.500 0.003 0.000 1.347 828 K HN 0.633 nan 8.250 nan 0.000 0.435 829 G N 1.138 109.930 108.800 -0.013 0.000 2.198 829 G HA2 -0.285 3.671 3.960 -0.006 0.000 0.260 829 G HA3 -0.285 3.671 3.960 -0.006 0.000 0.260 829 G C 0.399 175.279 174.900 -0.035 0.000 1.025 829 G CA 0.360 45.444 45.100 -0.028 0.000 0.769 829 G HN 0.459 nan 8.290 nan 0.000 0.507 830 D N 0.329 120.722 120.400 -0.012 0.000 2.087 830 D HA -0.029 4.607 4.640 -0.006 0.000 0.210 830 D C 1.779 178.085 176.300 0.010 0.000 0.973 830 D CA 2.783 56.787 54.000 0.007 0.000 0.882 830 D CB -0.495 40.325 40.800 0.034 0.000 1.019 830 D HN 1.276 nan 8.370 nan 0.000 0.450 831 T N 1.240 115.811 114.554 0.029 0.000 3.110 831 T HA -0.200 4.146 4.350 -0.006 0.000 0.445 831 T C -0.512 174.247 174.700 0.098 0.000 0.772 831 T CA 0.701 62.823 62.100 0.037 0.000 2.271 831 T CB -1.900 66.963 68.868 -0.008 0.000 1.657 831 T HN 0.125 nan 8.240 nan 0.000 0.594 832 D N 1.429 121.907 120.400 0.130 0.000 2.488 832 D HA 0.230 4.866 4.640 -0.006 0.000 0.260 832 D C 1.615 177.849 176.300 -0.110 0.000 1.273 832 D CA 0.057 54.123 54.000 0.109 0.000 0.912 832 D CB 0.032 40.854 40.800 0.036 0.000 0.982 832 D HN 0.506 nan 8.370 nan 0.000 0.492 833 V N 0.756 120.683 119.914 0.021 0.000 2.407 833 V HA -0.296 3.821 4.120 -0.006 0.000 0.248 833 V C 2.104 178.099 176.094 -0.165 0.000 1.055 833 V CA 2.049 64.297 62.300 -0.087 0.000 1.049 833 V CB -0.933 30.864 31.823 -0.045 0.000 0.662 833 V HN 0.636 nan 8.190 nan 0.000 0.455 834 H N -0.338 118.587 119.070 -0.241 0.000 2.560 834 H HA -0.089 4.464 4.556 -0.006 0.000 0.283 834 H C 1.767 176.915 175.328 -0.299 0.000 1.028 834 H CA 0.858 56.768 56.048 -0.230 0.000 1.221 834 H CB -0.291 29.368 29.762 -0.173 0.000 1.363 834 H HN 0.478 nan 8.280 nan 0.000 0.594 835 Q N 1.364 120.690 119.800 -0.791 0.000 2.320 835 Q HA 0.092 4.428 4.340 -0.006 0.000 0.201 835 Q C 0.036 175.596 176.000 -0.734 0.000 0.910 835 Q CA 0.239 55.522 55.803 -0.867 0.000 0.946 835 Q CB 0.667 28.716 28.738 -1.148 0.000 1.062 835 Q HN 0.563 nan 8.270 nan 0.000 0.503 836 S N -1.654 113.741 115.700 -0.510 0.000 2.532 836 S HA 0.633 5.099 4.470 -0.006 0.000 0.301 836 S C 0.885 175.390 174.600 -0.159 0.000 1.083 836 S CA -0.341 57.720 58.200 -0.230 0.000 1.025 836 S CB 1.959 65.110 63.200 -0.081 0.000 1.056 836 S HN 0.122 nan 8.310 nan 0.000 0.494 837 A N 2.476 125.239 122.820 -0.094 0.000 1.884 837 A HA -0.108 4.208 4.320 -0.006 0.000 0.219 837 A C 1.993 179.469 177.584 -0.179 0.000 1.197 837 A CA 1.778 53.739 52.037 -0.127 0.000 0.637 837 A CB -1.063 17.901 19.000 -0.060 0.000 0.827 837 A HN 0.941 nan 8.150 nan 0.000 0.450 838 L N -0.603 120.547 121.223 -0.122 0.000 2.093 838 L HA -0.094 4.242 4.340 -0.006 0.000 0.208 838 L C 2.376 179.156 176.870 -0.150 0.000 1.085 838 L CA 2.297 57.054 54.840 -0.139 0.000 0.755 838 L CB -1.387 40.638 42.059 -0.057 0.000 0.904 838 L HN 0.437 nan 8.230 nan 0.000 0.435 839 G N -0.228 108.494 108.800 -0.130 0.000 2.402 839 G HA2 -0.296 3.660 3.960 -0.006 0.000 0.216 839 G HA3 -0.296 3.660 3.960 -0.006 0.000 0.216 839 G C 1.727 176.545 174.900 -0.137 0.000 1.162 839 G CA 0.638 45.661 45.100 -0.127 0.000 0.777 839 G HN 0.382 nan 8.290 nan 0.000 0.539 840 R N 0.044 120.447 120.500 -0.162 0.000 2.159 840 R HA 0.045 4.382 4.340 -0.006 0.000 0.237 840 R C 2.221 178.407 176.300 -0.190 0.000 1.131 840 R CA 0.964 56.968 56.100 -0.160 0.000 0.982 840 R CB -0.242 29.948 30.300 -0.184 0.000 0.868 840 R HN 0.413 nan 8.270 nan 0.000 0.453 841 L N 0.000 121.076 121.223 -0.246 0.000 2.307 841 L HA -0.018 4.318 4.340 -0.006 0.000 0.211 841 L C 2.184 178.926 176.870 -0.214 0.000 1.099 841 L CA 0.354 55.018 54.840 -0.292 0.000 0.816 841 L CB -0.145 41.637 42.059 -0.461 0.000 0.952 841 L HN 0.221 nan 8.230 nan 0.000 0.455 842 L N -0.564 120.552 121.223 -0.179 0.000 2.068 842 L HA -0.104 4.233 4.340 -0.006 0.000 0.204 842 L C 1.469 178.261 176.870 -0.130 0.000 1.076 842 L CA 1.075 55.826 54.840 -0.147 0.000 0.753 842 L CB -0.219 41.758 42.059 -0.137 0.000 0.910 842 L HN 0.302 nan 8.230 nan 0.000 0.439 843 Q N 0.351 120.078 119.800 -0.121 0.000 2.244 843 Q HA 0.065 4.401 4.340 -0.006 0.000 0.239 843 Q C -0.178 175.763 176.000 -0.099 0.000 0.890 843 Q CA -0.173 55.565 55.803 -0.108 0.000 0.964 843 Q CB 0.234 28.912 28.738 -0.101 0.000 1.076 843 Q HN 0.181 nan 8.270 nan 0.000 0.447 844 K N 0.071 120.408 120.400 -0.106 0.000 2.971 844 K HA -0.350 3.966 4.320 -0.006 0.000 0.247 844 K C 0.896 177.448 176.600 -0.081 0.000 0.885 844 K CA 0.489 56.718 56.287 -0.096 0.000 0.651 844 K CB -1.401 31.052 32.500 -0.079 0.000 1.321 844 K HN 0.747 nan 8.250 nan 0.000 0.484 845 G N 0.139 108.892 108.800 -0.078 0.000 2.850 845 G HA2 -0.342 3.614 3.960 -0.006 0.000 0.207 845 G HA3 -0.342 3.614 3.960 -0.006 0.000 0.207 845 G C -0.163 174.723 174.900 -0.024 0.000 1.302 845 G CA 0.045 45.115 45.100 -0.050 0.000 0.832 845 G HN 0.593 nan 8.290 nan 0.000 0.543 846 E N 3.694 123.857 120.200 -0.061 0.000 2.392 846 E HA 0.503 4.849 4.350 -0.006 0.000 0.264 846 E C -2.136 174.336 176.600 -0.214 0.000 1.024 846 E CA -1.262 55.075 56.400 -0.105 0.000 0.903 846 E CB 0.969 30.609 29.700 -0.100 0.000 0.963 846 E HN 0.421 nan 8.360 nan 0.000 0.432 847 P HA -0.028 nan 4.420 nan 0.000 0.271 847 P C -0.641 176.435 177.300 -0.374 0.000 1.244 847 P CA -0.009 62.589 63.100 -0.835 0.000 0.793 847 P CB 0.740 31.793 31.700 -1.078 0.000 0.984 848 Q N -0.308 119.318 119.800 -0.290 0.000 2.626 848 Q HA 0.298 4.634 4.340 -0.006 0.000 0.300 848 Q C -0.687 175.239 176.000 -0.123 0.000 0.988 848 Q CA -0.623 55.078 55.803 -0.170 0.000 0.761 848 Q CB 1.227 29.881 28.738 -0.139 0.000 1.494 848 Q HN 0.467 nan 8.270 nan 0.000 0.439 849 D N -0.262 120.081 120.400 -0.095 0.000 2.358 849 D HA 0.294 4.930 4.640 -0.006 0.000 0.244 849 D C 0.657 176.918 176.300 -0.064 0.000 1.163 849 D CA 0.386 54.344 54.000 -0.069 0.000 0.945 849 D CB 1.569 42.334 40.800 -0.059 0.000 1.152 849 D HN 0.589 nan 8.370 nan 0.000 0.451 850 A N 2.125 124.918 122.820 -0.045 0.000 1.908 850 A HA -0.128 4.189 4.320 -0.006 0.000 0.218 850 A C 1.943 179.494 177.584 -0.054 0.000 1.181 850 A CA 2.307 54.321 52.037 -0.039 0.000 0.627 850 A CB -0.633 18.356 19.000 -0.019 0.000 0.818 850 A HN 0.585 nan 8.150 nan 0.000 0.445 851 A N -0.829 121.961 122.820 -0.051 0.000 2.067 851 A HA 0.296 4.612 4.320 -0.006 0.000 0.217 851 A C 2.264 179.794 177.584 -0.090 0.000 1.156 851 A CA 1.355 53.355 52.037 -0.063 0.000 0.683 851 A CB -1.068 17.908 19.000 -0.041 0.000 0.808 851 A HN 0.706 nan 8.150 nan 0.000 0.455 852 G N -0.127 108.622 108.800 -0.085 0.000 2.462 852 G HA2 -0.195 3.761 3.960 -0.006 0.000 0.220 852 G HA3 -0.195 3.761 3.960 -0.006 0.000 0.220 852 G C 1.508 176.334 174.900 -0.123 0.000 1.121 852 G CA 0.985 46.026 45.100 -0.097 0.000 0.758 852 G HN 0.436 nan 8.290 nan 0.000 0.559 853 L N -0.282 120.863 121.223 -0.129 0.000 2.007 853 L HA 0.050 4.386 4.340 -0.006 0.000 0.205 853 L C 2.934 179.669 176.870 -0.226 0.000 1.073 853 L CA 1.320 56.067 54.840 -0.155 0.000 0.744 853 L CB -0.344 41.636 42.059 -0.131 0.000 0.898 853 L HN 0.220 nan 8.230 nan 0.000 0.435 854 R N -0.530 119.822 120.500 -0.248 0.000 2.154 854 R HA -0.224 4.112 4.340 -0.006 0.000 0.248 854 R C 2.086 178.141 176.300 -0.407 0.000 1.155 854 R CA 2.241 58.101 56.100 -0.401 0.000 0.979 854 R CB -0.230 29.898 30.300 -0.286 0.000 0.869 854 R HN 0.613 nan 8.270 nan 0.000 0.452 855 T N -3.340 111.069 114.554 -0.243 0.000 2.978 855 T HA -0.040 4.306 4.350 -0.006 0.000 0.262 855 T C 2.150 176.743 174.700 -0.178 0.000 1.063 855 T CA 0.884 62.875 62.100 -0.181 0.000 1.140 855 T CB -0.413 68.387 68.868 -0.112 0.000 0.886 855 T HN 0.288 nan 8.240 nan 0.000 0.470 856 C N 0.839 120.029 119.300 -0.183 0.000 2.457 856 C HA 0.275 4.731 4.460 -0.006 0.000 0.278 856 C C 2.695 177.575 174.990 -0.183 0.000 1.309 856 C CA -0.072 58.852 59.018 -0.156 0.000 1.735 856 C CB -1.253 26.401 27.740 -0.144 0.000 1.992 856 C HN 0.562 nan 8.230 nan 0.000 0.493 857 I N 0.983 121.389 120.570 -0.274 0.000 2.202 857 I HA -0.200 3.967 4.170 -0.006 0.000 0.242 857 I C 2.542 178.488 176.117 -0.285 0.000 1.091 857 I CA 1.606 62.713 61.300 -0.321 0.000 1.368 857 I CB -0.594 37.090 38.000 -0.528 0.000 1.058 857 I HN 0.428 nan 8.210 nan 0.000 0.410 858 E N 1.076 121.068 120.200 -0.347 0.000 2.085 858 E HA -0.260 4.086 4.350 -0.006 0.000 0.194 858 E C 2.316 178.897 176.600 -0.033 0.000 0.994 858 E CA 1.253 57.590 56.400 -0.105 0.000 0.801 858 E CB -0.274 29.396 29.700 -0.049 0.000 0.743 858 E HN 0.520 nan 8.360 nan 0.000 0.453 859 A N 2.094 124.871 122.820 -0.072 0.000 1.882 859 A HA -0.217 4.100 4.320 -0.006 0.000 0.220 859 A C 1.548 179.120 177.584 -0.021 0.000 1.253 859 A CA 1.753 53.763 52.037 -0.045 0.000 0.664 859 A CB -1.192 17.769 19.000 -0.065 0.000 0.838 859 A HN 0.376 nan 8.150 nan 0.000 0.460 860 L N -4.811 116.395 121.223 -0.028 0.000 2.280 860 L HA 0.682 5.018 4.340 -0.006 0.000 0.287 860 L C -0.583 176.297 176.870 0.017 0.000 1.023 860 L CA -0.759 54.078 54.840 -0.005 0.000 0.819 860 L CB 1.479 43.529 42.059 -0.016 0.000 1.212 860 L HN 0.253 nan 8.230 nan 0.000 0.420 861 C N 2.701 122.027 119.300 0.044 0.000 2.273 861 C HA 0.348 4.804 4.460 -0.006 0.000 0.290 861 C C -1.254 173.782 174.990 0.077 0.000 0.877 861 C CA -0.216 58.851 59.018 0.082 0.000 0.660 861 C CB -0.757 27.074 27.740 0.151 0.000 1.576 861 C HN 1.003 nan 8.230 nan 0.000 0.766 862 D N 0.802 121.235 120.400 0.055 0.000 2.756 862 D HA 0.418 5.054 4.640 -0.006 0.000 0.226 862 D C 0.356 176.682 176.300 0.042 0.000 1.186 862 D CA 0.247 54.274 54.000 0.046 0.000 0.845 862 D CB 2.152 42.974 40.800 0.038 0.000 1.610 862 D HN 0.379 nan 8.370 nan 0.000 0.465 863 D N 0.020 120.444 120.400 0.039 0.000 3.737 863 D HA -0.213 4.423 4.640 -0.006 0.000 0.202 863 D C 0.578 176.910 176.300 0.054 0.000 1.425 863 D CA 2.068 56.093 54.000 0.041 0.000 2.310 863 D CB -0.465 40.357 40.800 0.036 0.000 1.268 863 D HN 0.431 nan 8.370 nan 0.000 0.410 864 D N -0.363 120.069 120.400 0.054 0.000 2.431 864 D HA 0.242 4.878 4.640 -0.006 0.000 0.227 864 D C 0.848 177.186 176.300 0.064 0.000 1.030 864 D CA 0.239 54.277 54.000 0.062 0.000 0.897 864 D CB 1.017 41.848 40.800 0.051 0.000 1.058 864 D HN 0.302 nan 8.370 nan 0.000 0.500 865 I N 0.963 121.567 120.570 0.056 0.000 2.460 865 I HA 0.558 4.724 4.170 -0.006 0.000 0.298 865 I C -0.360 175.800 176.117 0.072 0.000 0.989 865 I CA -0.657 60.678 61.300 0.058 0.000 1.173 865 I CB 1.993 40.023 38.000 0.050 0.000 1.338 865 I HN -0.138 nan 8.210 nan 0.000 0.456 866 A N 6.205 129.072 122.820 0.079 0.000 2.583 866 A HA 0.590 4.906 4.320 -0.006 0.000 0.298 866 A C -1.689 175.926 177.584 0.052 0.000 1.055 866 A CA -0.731 51.345 52.037 0.065 0.000 0.714 866 A CB 1.166 20.158 19.000 -0.013 0.000 1.277 866 A HN 0.801 nan 8.150 nan 0.000 0.406 867 W N 0.808 122.016 121.300 -0.154 0.000 2.894 867 W HA 0.885 5.542 4.660 -0.005 0.000 0.345 867 W C -0.921 175.420 176.519 -0.296 0.000 1.152 867 W CA -0.794 56.409 57.345 -0.237 0.000 1.089 867 W CB 0.979 30.352 29.460 -0.145 0.000 1.454 867 W HN 0.830 nan 8.180 nan 0.000 0.589 868 Q N 0.119 119.644 119.800 -0.458 0.000 2.648 868 Q HA 0.290 4.626 4.340 -0.006 0.000 0.300 868 Q C -0.700 175.254 176.000 -0.077 0.000 0.954 868 Q CA -0.622 54.808 55.803 -0.622 0.000 0.757 868 Q CB 2.874 31.140 28.738 -0.787 0.000 1.482 868 Q HN 0.521 nan 8.270 nan 0.000 0.437 869 T N -1.881 112.675 114.554 0.003 0.000 2.922 869 T HA 0.584 4.930 4.350 -0.006 0.000 0.285 869 T C 0.340 175.247 174.700 0.346 0.000 1.005 869 T CA -0.499 61.752 62.100 0.251 0.000 1.061 869 T CB 1.148 70.138 68.868 0.203 0.000 1.007 869 T HN 0.636 nan 8.240 nan 0.000 0.502 870 A N 3.168 126.221 122.820 0.388 0.000 3.052 870 A HA 0.086 4.402 4.320 -0.006 0.000 0.285 870 A C 0.839 178.607 177.584 0.306 0.000 1.928 870 A CA -0.199 52.090 52.037 0.419 0.000 1.453 870 A CB -0.794 18.395 19.000 0.315 0.000 0.970 870 A HN 0.680 nan 8.150 nan 0.000 0.603 871 Q N 2.204 122.227 119.800 0.372 0.000 2.381 871 Q HA 0.089 4.425 4.340 -0.006 0.000 0.243 871 Q C 1.130 177.214 176.000 0.140 0.000 1.154 871 Q CA 0.455 56.402 55.803 0.240 0.000 0.899 871 Q CB 0.119 29.021 28.738 0.274 0.000 1.396 871 Q HN 0.870 nan 8.270 nan 0.000 0.485 872 T N -0.712 113.894 114.554 0.086 0.000 2.619 872 T HA 0.547 4.893 4.350 -0.006 0.000 0.330 872 T C 0.620 175.326 174.700 0.010 0.000 1.037 872 T CA 0.040 62.151 62.100 0.019 0.000 1.005 872 T CB 0.986 69.865 68.868 0.019 0.000 1.084 872 T HN 0.576 nan 8.240 nan 0.000 0.521 873 G N -0.747 108.041 108.800 -0.020 0.000 2.368 873 G HA2 0.461 4.417 3.960 -0.006 0.000 0.293 873 G HA3 0.461 4.417 3.960 -0.006 0.000 0.293 873 G C -2.234 172.649 174.900 -0.029 0.000 1.467 873 G CA -0.546 44.547 45.100 -0.013 0.000 0.804 873 G HN 0.962 nan 8.290 nan 0.000 0.535 874 D N -1.308 119.084 120.400 -0.015 0.000 2.736 874 D HA 0.645 5.281 4.640 -0.006 0.000 0.223 874 D C -0.876 175.423 176.300 -0.003 0.000 1.231 874 D CA -0.388 53.602 54.000 -0.017 0.000 0.818 874 D CB 1.999 42.792 40.800 -0.012 0.000 1.587 874 D HN 0.559 nan 8.370 nan 0.000 0.463 875 N N 1.797 120.495 118.700 -0.002 0.000 4.121 875 N HA -0.040 4.696 4.740 -0.006 0.000 0.134 875 N C -0.050 175.471 175.510 0.019 0.000 1.370 875 N CA -0.068 52.991 53.050 0.015 0.000 1.272 875 N CB 0.029 38.532 38.487 0.027 0.000 1.726 875 N HN 0.442 nan 8.380 nan 0.000 0.750 876 Q N 0.349 120.158 119.800 0.014 0.000 2.315 876 Q HA -0.104 4.232 4.340 -0.006 0.000 0.213 876 Q C -1.450 174.581 176.000 0.052 0.000 0.994 876 Q CA 1.217 57.032 55.803 0.019 0.000 0.906 876 Q CB -0.379 28.368 28.738 0.015 0.000 0.918 876 Q HN 0.458 nan 8.270 nan 0.000 0.427 877 P HA -0.111 nan 4.420 nan 0.000 0.278 877 P C -1.011 176.409 177.300 0.201 0.000 1.238 877 P CA 0.083 63.246 63.100 0.106 0.000 0.794 877 P CB 0.132 31.871 31.700 0.065 0.000 0.955 878 W N 3.461 124.757 121.300 -0.008 0.000 2.926 878 W HA 0.174 4.832 4.660 -0.002 0.000 0.419 878 W C -0.186 176.338 176.519 0.009 0.000 0.993 878 W CA -0.606 56.738 57.345 -0.001 0.000 2.025 878 W CB 0.315 29.771 29.460 -0.006 0.000 1.152 878 W HN 0.402 nan 8.180 nan 0.000 0.659 879 Q N 2.083 121.943 119.800 0.100 0.000 2.255 879 Q HA -0.219 4.117 4.340 -0.006 0.000 0.372 879 Q C 0.005 175.879 176.000 -0.210 0.000 1.224 879 Q CA 0.579 56.357 55.803 -0.043 0.000 1.182 879 Q CB -0.909 27.839 28.738 0.018 0.000 1.444 879 Q HN 0.191 nan 8.270 nan 0.000 0.360 880 V N 0.552 120.190 119.914 -0.460 0.000 2.581 880 V HA 0.422 4.539 4.120 -0.006 0.000 0.303 880 V C -0.098 175.768 176.094 -0.380 0.000 1.041 880 V CA -0.722 61.211 62.300 -0.611 0.000 0.907 880 V CB 1.864 32.905 31.823 -1.303 0.000 0.994 880 V HN 0.447 nan 8.190 nan 0.000 0.442 881 N N 2.826 121.365 118.700 -0.268 0.000 2.741 881 N HA 0.564 5.301 4.740 -0.006 0.000 0.310 881 N C -1.562 173.854 175.510 -0.157 0.000 1.295 881 N CA -0.339 52.606 53.050 -0.176 0.000 0.893 881 N CB 2.085 40.500 38.487 -0.119 0.000 1.247 881 N HN 0.938 nan 8.380 nan 0.000 0.596 882 D N -1.637 118.698 120.400 -0.108 0.000 2.636 882 D HA 0.693 5.329 4.640 -0.006 0.000 0.275 882 D C -1.122 175.141 176.300 -0.062 0.000 1.130 882 D CA -0.598 53.350 54.000 -0.086 0.000 1.031 882 D CB 1.200 41.954 40.800 -0.077 0.000 1.451 882 D HN 0.161 nan 8.370 nan 0.000 0.505 883 V N -1.238 118.645 119.914 -0.051 0.000 3.204 883 V HA 0.842 4.958 4.120 -0.006 0.000 0.298 883 V C -1.066 175.007 176.094 -0.035 0.000 1.328 883 V CA -0.741 61.536 62.300 -0.040 0.000 1.035 883 V CB 1.713 33.514 31.823 -0.036 0.000 1.095 883 V HN 0.858 nan 8.190 nan 0.000 0.442 884 S N 0.962 116.645 115.700 -0.029 0.000 2.580 884 S HA 0.699 5.165 4.470 -0.006 0.000 0.281 884 S C -1.172 173.416 174.600 -0.020 0.000 1.129 884 S CA 0.200 58.385 58.200 -0.025 0.000 0.862 884 S CB 1.953 65.138 63.200 -0.026 0.000 1.090 884 S HN 1.346 nan 8.310 nan 0.000 0.451 885 T N 1.451 115.994 114.554 -0.018 0.000 3.160 885 T HA 0.596 4.942 4.350 -0.006 0.000 0.346 885 T C -0.205 174.487 174.700 -0.013 0.000 1.027 885 T CA -0.208 61.883 62.100 -0.015 0.000 1.287 885 T CB 0.844 69.704 68.868 -0.014 0.000 0.997 885 T HN 1.060 nan 8.240 nan 0.000 0.518 886 A N 2.915 125.727 122.820 -0.013 0.000 2.899 886 A HA 0.414 4.731 4.320 -0.006 0.000 0.287 886 A C 0.673 178.251 177.584 -0.010 0.000 1.715 886 A CA -0.404 51.626 52.037 -0.012 0.000 1.393 886 A CB -0.164 18.829 19.000 -0.012 0.000 1.070 886 A HN 0.627 nan 8.150 nan 0.000 0.587 887 E N 2.989 123.183 120.200 -0.009 0.000 2.360 887 E HA 0.364 4.711 4.350 -0.006 0.000 0.253 887 E C -0.434 176.162 176.600 -0.007 0.000 1.189 887 E CA 0.141 56.536 56.400 -0.008 0.000 1.252 887 E CB -0.040 29.656 29.700 -0.007 0.000 1.408 887 E HN 0.677 nan 8.360 nan 0.000 0.464 888 L N 0.813 122.032 121.223 -0.007 0.000 2.260 888 L HA 0.569 4.905 4.340 -0.006 0.000 0.265 888 L C 0.248 177.114 176.870 -0.006 0.000 1.015 888 L CA -1.087 53.749 54.840 -0.007 0.000 0.826 888 L CB 1.369 43.423 42.059 -0.008 0.000 1.373 888 L HN 0.220 nan 8.230 nan 0.000 0.450 889 N N -1.224 117.473 118.700 -0.006 0.000 4.107 889 N HA 0.558 5.294 4.740 -0.006 0.000 0.213 889 N C -1.711 173.795 175.510 -0.005 0.000 1.216 889 N CA -1.016 52.031 53.050 -0.006 0.000 0.925 889 N CB 1.467 39.951 38.487 -0.005 0.000 1.541 889 N HN 0.656 nan 8.380 nan 0.000 0.524 890 A N 1.126 123.943 122.820 -0.005 0.000 2.303 890 A HA 0.431 4.747 4.320 -0.006 0.000 0.320 890 A C 0.111 177.693 177.584 -0.004 0.000 1.192 890 A CA -0.652 51.382 52.037 -0.005 0.000 0.821 890 A CB 0.884 19.881 19.000 -0.006 0.000 1.188 890 A HN 0.572 nan 8.150 nan 0.000 0.492 891 K N 1.149 121.547 120.400 -0.004 0.000 2.591 891 K HA 0.062 4.378 4.320 -0.006 0.000 0.280 891 K C -0.056 176.543 176.600 -0.002 0.000 0.964 891 K CA 1.282 57.567 56.287 -0.003 0.000 1.014 891 K CB 0.155 32.654 32.500 -0.003 0.000 0.877 891 K HN 0.844 nan 8.250 nan 0.000 0.502 892 T N 1.931 116.484 114.554 -0.001 0.000 2.906 892 T HA 0.246 4.593 4.350 -0.006 0.000 0.302 892 T C -0.105 174.595 174.700 0.001 0.000 1.002 892 T CA -1.245 60.855 62.100 -0.001 0.000 0.988 892 T CB 0.667 69.535 68.868 -0.001 0.000 0.972 892 T HN 0.321 nan 8.240 nan 0.000 0.447 893 L N 1.817 123.040 121.223 0.001 0.000 2.462 893 L HA 0.408 4.744 4.340 -0.006 0.000 0.272 893 L C 0.552 177.424 176.870 0.004 0.000 1.166 893 L CA 0.120 54.961 54.840 0.002 0.000 0.880 893 L CB -0.431 41.630 42.059 0.003 0.000 1.142 893 L HN 0.667 nan 8.230 nan 0.000 0.473 894 Q N 2.830 122.633 119.800 0.004 0.000 2.228 894 Q HA 0.202 4.539 4.340 -0.006 0.000 0.211 894 Q C 0.394 176.397 176.000 0.006 0.000 0.890 894 Q CA 0.196 56.002 55.803 0.005 0.000 0.953 894 Q CB 0.289 29.029 28.738 0.004 0.000 1.053 894 Q HN 0.768 nan 8.270 nan 0.000 0.471 895 R N 0.604 121.109 120.500 0.007 0.000 2.606 895 R HA 0.561 4.897 4.340 -0.006 0.000 0.249 895 R C -0.757 175.550 176.300 0.012 0.000 1.127 895 R CA -0.557 55.549 56.100 0.010 0.000 1.133 895 R CB 0.663 30.969 30.300 0.010 0.000 1.243 895 R HN 0.045 nan 8.270 nan 0.000 0.558 896 L N -1.434 119.798 121.223 0.015 0.000 2.434 896 L HA 0.584 4.920 4.340 -0.006 0.000 0.260 896 L C -2.185 174.698 176.870 0.022 0.000 0.983 896 L CA -1.399 53.451 54.840 0.017 0.000 0.820 896 L CB 1.204 43.273 42.059 0.016 0.000 1.361 896 L HN 0.519 nan 8.230 nan 0.000 0.410 897 P HA 0.019 nan 4.420 nan 0.000 0.214 897 P C 1.118 178.440 177.300 0.038 0.000 1.169 897 P CA 2.275 65.393 63.100 0.031 0.000 0.908 897 P CB -0.256 31.462 31.700 0.029 0.000 0.791 898 G N -0.567 108.254 108.800 0.036 0.000 2.675 898 G HA2 -0.257 3.700 3.960 -0.006 0.000 0.312 898 G HA3 -0.257 3.700 3.960 -0.006 0.000 0.312 898 G C -0.076 174.855 174.900 0.052 0.000 1.186 898 G CA 0.602 45.727 45.100 0.041 0.000 0.965 898 G HN 0.352 nan 8.290 nan 0.000 0.548 899 D N 2.214 122.654 120.400 0.067 0.000 2.340 899 D HA 0.480 5.116 4.640 -0.006 0.000 0.251 899 D C 0.035 176.398 176.300 0.105 0.000 1.080 899 D CA 0.044 54.096 54.000 0.087 0.000 0.971 899 D CB 1.078 41.943 40.800 0.107 0.000 1.137 899 D HN 0.666 nan 8.370 nan 0.000 0.475 900 N N 0.901 119.673 118.700 0.119 0.000 2.519 900 N HA 0.031 4.767 4.740 -0.006 0.000 0.286 900 N C -1.143 174.473 175.510 0.177 0.000 1.079 900 N CA -0.749 52.382 53.050 0.135 0.000 0.878 900 N CB 1.297 39.839 38.487 0.091 0.000 1.375 900 N HN 0.429 nan 8.380 nan 0.000 0.514 901 W N 5.408 126.736 121.300 0.047 0.000 2.331 901 W HA 0.440 5.096 4.660 -0.006 0.000 0.306 901 W C -1.072 175.478 176.519 0.051 0.000 1.162 901 W CA -0.236 57.140 57.345 0.052 0.000 1.232 901 W CB 0.709 30.197 29.460 0.047 0.000 1.235 901 W HN 0.568 nan 8.180 nan 0.000 0.479 902 R N 3.378 123.684 120.500 -0.323 0.000 2.869 902 R HA 0.576 4.912 4.340 -0.006 0.000 0.263 902 R C -1.340 174.738 176.300 -0.370 0.000 1.066 902 R CA -1.146 54.851 56.100 -0.173 0.000 0.960 902 R CB 2.069 32.333 30.300 -0.059 0.000 1.221 902 R HN 0.152 nan 8.270 nan 0.000 0.474 903 V N 1.940 121.780 119.914 -0.125 0.000 2.289 903 V HA 0.198 4.315 4.120 -0.006 0.000 0.272 903 V C 0.151 176.213 176.094 -0.053 0.000 1.026 903 V CA -0.580 61.669 62.300 -0.085 0.000 0.807 903 V CB 0.836 32.712 31.823 0.087 0.000 1.044 903 V HN 0.870 nan 8.190 nan 0.000 0.443 904 T N 1.143 115.642 114.554 -0.091 0.000 2.833 904 T HA 0.609 4.956 4.350 -0.006 0.000 0.292 904 T C 0.342 175.011 174.700 -0.052 0.000 1.031 904 T CA -0.323 61.739 62.100 -0.064 0.000 0.937 904 T CB 1.269 70.085 68.868 -0.087 0.000 1.256 904 T HN 0.821 nan 8.240 nan 0.000 0.551 905 S N -0.736 114.950 115.700 -0.023 0.000 2.862 905 S HA 0.171 4.638 4.470 -0.006 0.000 0.148 905 S C -0.326 174.355 174.600 0.135 0.000 0.829 905 S CA -0.878 57.345 58.200 0.037 0.000 0.991 905 S CB -1.248 61.956 63.200 0.007 0.000 1.607 905 S HN 1.083 nan 8.310 nan 0.000 0.474 906 Y N 1.662 121.955 120.300 -0.011 0.000 3.305 906 Y HA -0.392 4.155 4.550 -0.006 0.000 0.214 906 Y C 0.724 176.640 175.900 0.027 0.000 1.185 906 Y CA 1.206 59.306 58.100 0.001 0.000 1.326 906 Y CB -1.315 37.170 38.460 0.042 0.000 1.367 906 Y HN 1.111 nan 8.280 nan 0.000 0.588 907 S N -2.527 113.084 115.700 -0.148 0.000 2.632 907 S HA 0.300 4.766 4.470 -0.006 0.000 0.237 907 S C 1.640 176.163 174.600 -0.127 0.000 1.037 907 S CA 0.127 58.237 58.200 -0.150 0.000 1.009 907 S CB 0.510 63.682 63.200 -0.046 0.000 0.974 907 S HN 0.636 nan 8.310 nan 0.000 0.544 908 G N 1.696 110.411 108.800 -0.142 0.000 2.679 908 G HA2 0.116 4.073 3.960 -0.006 0.000 0.212 908 G HA3 0.116 4.073 3.960 -0.006 0.000 0.212 908 G C 1.039 175.922 174.900 -0.027 0.000 1.137 908 G CA 0.557 45.601 45.100 -0.094 0.000 0.787 908 G HN 0.391 nan 8.290 nan 0.000 0.534 909 L N -0.042 121.097 121.223 -0.139 0.000 2.562 909 L HA 0.321 4.658 4.340 -0.006 0.000 0.188 909 L C 0.705 177.485 176.870 -0.150 0.000 1.342 909 L CA 0.426 55.194 54.840 -0.121 0.000 1.104 909 L CB -1.272 40.627 42.059 -0.268 0.000 1.257 909 L HN 0.207 nan 8.230 nan 0.000 0.632 910 Q N 2.571 122.217 119.800 -0.257 0.000 3.042 910 Q HA -0.149 4.188 4.340 -0.006 0.000 0.358 910 Q C -0.272 175.608 176.000 -0.200 0.000 1.064 910 Q CA 0.237 55.923 55.803 -0.195 0.000 1.188 910 Q CB -0.045 28.617 28.738 -0.126 0.000 0.967 910 Q HN 0.297 nan 8.270 nan 0.000 0.414 911 Q N 2.329 122.011 119.800 -0.196 0.000 2.432 911 Q HA 0.048 4.384 4.340 -0.006 0.000 0.264 911 Q C 0.645 176.465 176.000 -0.300 0.000 1.035 911 Q CA 0.198 55.891 55.803 -0.184 0.000 0.908 911 Q CB 0.536 29.192 28.738 -0.138 0.000 1.280 911 Q HN 0.428 nan 8.270 nan 0.000 0.455 912 R N -0.223 120.150 120.500 -0.211 0.000 3.251 912 R HA 0.009 4.345 4.340 -0.006 0.000 0.284 912 R C 1.157 177.287 176.300 -0.283 0.000 1.053 912 R CA 1.150 57.120 56.100 -0.218 0.000 1.173 912 R CB -0.620 29.620 30.300 -0.100 0.000 1.144 912 R HN 0.980 nan 8.270 nan 0.000 0.529 913 G N -1.402 107.308 108.800 -0.151 0.000 2.352 913 G HA2 -0.189 3.767 3.960 -0.006 0.000 0.204 913 G HA3 -0.189 3.767 3.960 -0.006 0.000 0.204 913 G C 0.377 175.319 174.900 0.071 0.000 1.004 913 G CA 0.106 45.164 45.100 -0.070 0.000 0.648 913 G HN 0.558 nan 8.290 nan 0.000 0.491 914 H N 1.707 120.757 119.070 -0.033 0.000 2.547 914 H HA 0.382 4.934 4.556 -0.006 0.000 0.274 914 H C 1.804 177.116 175.328 -0.026 0.000 1.024 914 H CA -0.085 55.943 56.048 -0.033 0.000 1.155 914 H CB -0.520 29.218 29.762 -0.040 0.000 1.344 914 H HN 0.551 nan 8.280 nan 0.000 0.598 915 G N 0.890 109.736 108.800 0.077 0.000 2.298 915 G HA2 0.273 4.229 3.960 -0.006 0.000 0.263 915 G HA3 0.273 4.229 3.960 -0.006 0.000 0.263 915 G C 0.763 175.684 174.900 0.034 0.000 1.229 915 G CA -0.046 45.078 45.100 0.039 0.000 0.976 915 G HN 0.558 nan 8.290 nan 0.000 0.459 916 I N -0.082 120.504 120.570 0.028 0.000 4.918 916 I HA -0.376 3.791 4.170 -0.006 0.000 0.150 916 I C 2.205 178.328 176.117 0.009 0.000 1.706 916 I CA 1.006 62.315 61.300 0.016 0.000 1.277 916 I CB -1.614 36.393 38.000 0.011 0.000 2.725 916 I HN 0.572 nan 8.210 nan 0.000 0.213 917 A N 0.254 123.083 122.820 0.016 0.000 1.874 917 A HA -0.147 4.170 4.320 -0.006 0.000 0.214 917 A C 1.991 179.549 177.584 -0.043 0.000 1.189 917 A CA 1.996 54.026 52.037 -0.012 0.000 0.615 917 A CB -0.331 18.667 19.000 -0.003 0.000 0.830 917 A HN 0.507 nan 8.150 nan 0.000 0.443 918 Q N -0.241 119.542 119.800 -0.028 0.000 2.482 918 Q HA -0.031 4.305 4.340 -0.006 0.000 0.209 918 Q C 0.973 176.955 176.000 -0.030 0.000 0.961 918 Q CA 0.928 56.701 55.803 -0.050 0.000 0.945 918 Q CB -0.030 28.696 28.738 -0.021 0.000 1.012 918 Q HN 0.648 nan 8.270 nan 0.000 0.515 919 D N -1.197 119.195 120.400 -0.014 0.000 2.369 919 D HA 0.027 4.664 4.640 -0.006 0.000 0.231 919 D C 1.432 177.726 176.300 -0.010 0.000 0.967 919 D CA 0.489 54.488 54.000 -0.002 0.000 0.905 919 D CB 0.330 41.135 40.800 0.009 0.000 1.044 919 D HN 0.282 nan 8.370 nan 0.000 0.487 920 L N -0.063 121.150 121.223 -0.017 0.000 2.109 920 L HA 0.009 4.345 4.340 -0.006 0.000 0.207 920 L C 0.656 177.506 176.870 -0.033 0.000 1.086 920 L CA 0.801 55.629 54.840 -0.020 0.000 0.760 920 L CB 0.156 42.203 42.059 -0.019 0.000 0.910 920 L HN -0.049 nan 8.230 nan 0.000 0.437 921 M N -0.916 118.651 119.600 -0.054 0.000 1.996 921 M HA 0.268 4.745 4.480 -0.006 0.000 0.268 921 M C -2.046 174.181 176.300 -0.122 0.000 0.888 921 M CA -1.977 53.276 55.300 -0.078 0.000 0.939 921 M CB 0.987 33.538 32.600 -0.082 0.000 1.736 921 M HN -0.271 nan 8.290 nan 0.000 0.407 922 P HA -0.026 nan 4.420 nan 0.000 0.221 922 P C 0.415 177.460 177.300 -0.424 0.000 1.145 922 P CA 1.258 64.236 63.100 -0.203 0.000 0.795 922 P CB 0.286 31.922 31.700 -0.107 0.000 0.775 923 R N -1.431 118.857 120.500 -0.353 0.000 2.652 923 R HA 0.277 4.613 4.340 -0.006 0.000 0.372 923 R C 0.179 176.311 176.300 -0.280 0.000 1.104 923 R CA -0.409 55.443 56.100 -0.413 0.000 1.072 923 R CB -0.023 30.078 30.300 -0.331 0.000 1.367 923 R HN 0.208 nan 8.270 nan 0.000 0.577 924 L N 1.575 122.656 121.223 -0.238 0.000 2.461 924 L HA 0.048 4.384 4.340 -0.006 0.000 0.272 924 L C 0.428 177.150 176.870 -0.246 0.000 1.197 924 L CA 0.180 54.903 54.840 -0.196 0.000 0.836 924 L CB 0.645 42.607 42.059 -0.162 0.000 1.105 924 L HN 0.109 nan 8.230 nan 0.000 0.477 925 D N 3.397 123.651 120.400 -0.243 0.000 2.662 925 D HA -0.028 4.608 4.640 -0.006 0.000 0.228 925 D C 1.302 177.503 176.300 -0.166 0.000 1.093 925 D CA 0.089 53.916 54.000 -0.288 0.000 1.075 925 D CB 0.171 40.832 40.800 -0.233 0.000 1.122 925 D HN 0.352 nan 8.370 nan 0.000 0.475 926 V N 1.547 121.340 119.914 -0.201 0.000 2.794 926 V HA -0.226 3.891 4.120 -0.006 0.000 0.260 926 V C 1.565 177.594 176.094 -0.109 0.000 1.103 926 V CA 1.541 63.683 62.300 -0.264 0.000 1.125 926 V CB -0.244 31.377 31.823 -0.338 0.000 0.702 926 V HN 0.434 nan 8.190 nan 0.000 0.494 927 D N -0.023 120.394 120.400 0.028 0.000 2.363 927 D HA 0.179 4.815 4.640 -0.006 0.000 0.226 927 D C 0.689 177.107 176.300 0.197 0.000 1.020 927 D CA 0.860 54.981 54.000 0.202 0.000 0.892 927 D CB 0.318 41.299 40.800 0.301 0.000 0.900 927 D HN 0.543 nan 8.370 nan 0.000 0.531 928 A N 0.116 123.002 122.820 0.110 0.000 2.423 928 A HA 0.830 5.147 4.320 -0.006 0.000 0.304 928 A C -0.936 176.690 177.584 0.069 0.000 1.104 928 A CA -0.246 51.864 52.037 0.121 0.000 0.757 928 A CB 2.199 21.292 19.000 0.154 0.000 1.313 928 A HN 0.080 nan 8.150 nan 0.000 0.423 929 A N -0.538 122.325 122.820 0.071 0.000 2.571 929 A HA 0.866 5.183 4.320 -0.006 0.000 0.296 929 A C -0.093 177.518 177.584 0.046 0.000 1.005 929 A CA 0.413 52.480 52.037 0.050 0.000 0.682 929 A CB 0.190 19.219 19.000 0.048 0.000 1.292 929 A HN 2.959 nan 8.150 nan 0.000 0.420 930 G N -1.247 107.575 108.800 0.037 0.000 2.347 930 G HA2 0.574 4.530 3.960 -0.006 0.000 0.341 930 G HA3 0.574 4.530 3.960 -0.006 0.000 0.341 930 G C -1.029 173.891 174.900 0.033 0.000 1.287 930 G CA 0.110 45.230 45.100 0.034 0.000 0.984 930 G HN 1.874 nan 8.290 nan 0.000 0.526 931 V N -0.411 119.523 119.914 0.033 0.000 3.166 931 V HA 0.988 5.104 4.120 -0.006 0.000 0.317 931 V C 0.793 176.914 176.094 0.045 0.000 1.136 931 V CA -0.133 62.185 62.300 0.030 0.000 1.035 931 V CB 1.443 33.278 31.823 0.021 0.000 1.110 931 V HN 2.299 nan 8.190 nan 0.000 0.450 932 A N 0.505 123.351 122.820 0.042 0.000 2.469 932 A HA 0.970 5.286 4.320 -0.006 0.000 0.299 932 A C -0.169 177.444 177.584 0.049 0.000 1.098 932 A CA 0.206 52.277 52.037 0.057 0.000 0.737 932 A CB 1.996 21.035 19.000 0.066 0.000 1.312 932 A HN 1.260 nan 8.150 nan 0.000 0.414 933 S N -0.860 114.874 115.700 0.056 0.000 3.923 933 S HA 0.447 4.914 4.470 -0.006 0.000 0.280 933 S C -0.174 174.457 174.600 0.051 0.000 1.070 933 S CA 0.229 58.456 58.200 0.046 0.000 1.300 933 S CB -0.014 63.210 63.200 0.039 0.000 1.322 933 S HN 1.038 nan 8.310 nan 0.000 0.762 934 V N 2.456 122.395 119.914 0.042 0.000 2.085 934 V HA 0.191 4.307 4.120 -0.006 0.000 0.282 934 V C 0.099 176.221 176.094 0.047 0.000 1.787 934 V CA 0.171 62.495 62.300 0.040 0.000 1.715 934 V CB -0.851 30.990 31.823 0.030 0.000 1.501 934 V HN 0.565 nan 8.190 nan 0.000 0.506 935 V N 0.407 120.359 119.914 0.063 0.000 3.085 935 V HA 0.152 4.268 4.120 -0.006 0.000 0.345 935 V C 1.817 177.960 176.094 0.082 0.000 1.397 935 V CA 0.069 62.413 62.300 0.072 0.000 1.165 935 V CB 0.525 32.404 31.823 0.093 0.000 1.153 935 V HN 0.742 nan 8.190 nan 0.000 0.495 936 E N 1.436 121.677 120.200 0.068 0.000 2.478 936 E HA -0.116 4.230 4.350 -0.006 0.000 0.198 936 E C 0.277 176.901 176.600 0.039 0.000 1.046 936 E CA 0.050 56.488 56.400 0.064 0.000 0.870 936 E CB 0.097 29.827 29.700 0.050 0.000 0.818 936 E HN 0.728 nan 8.360 nan 0.000 0.527 937 E N 2.555 122.775 120.200 0.034 0.000 2.032 937 E HA -0.163 4.183 4.350 -0.006 0.000 0.352 937 E C -1.763 174.836 176.600 -0.002 0.000 0.649 937 E CA 0.065 56.475 56.400 0.017 0.000 1.307 937 E CB 0.054 29.767 29.700 0.023 0.000 0.491 937 E HN 0.336 nan 8.360 nan 0.000 0.414 938 P HA -0.175 nan 4.420 nan 0.000 0.258 938 P C -0.312 176.959 177.300 -0.049 0.000 1.249 938 P CA 1.205 64.285 63.100 -0.033 0.000 0.751 938 P CB -0.452 31.234 31.700 -0.024 0.000 0.994 939 T N -2.229 112.297 114.554 -0.047 0.000 3.103 939 T HA 0.378 4.724 4.350 -0.006 0.000 0.352 939 T C 0.070 174.729 174.700 -0.067 0.000 1.048 939 T CA -0.840 61.225 62.100 -0.057 0.000 1.175 939 T CB 0.119 68.967 68.868 -0.032 0.000 1.029 939 T HN -0.108 nan 8.240 nan 0.000 0.498 940 L N 3.579 124.718 121.223 -0.140 0.000 2.615 940 L HA 0.305 4.642 4.340 -0.006 0.000 0.284 940 L C 1.113 177.946 176.870 -0.062 0.000 1.237 940 L CA 0.546 55.276 54.840 -0.183 0.000 0.905 940 L CB -0.026 41.733 42.059 -0.501 0.000 1.149 940 L HN 0.914 nan 8.230 nan 0.000 0.499 941 T N -0.258 114.314 114.554 0.029 0.000 2.864 941 T HA 0.390 4.736 4.350 -0.006 0.000 0.299 941 T C -2.314 172.316 174.700 -0.116 0.000 1.166 941 T CA -1.749 60.319 62.100 -0.053 0.000 1.007 941 T CB 2.105 70.955 68.868 -0.030 0.000 1.219 941 T HN 0.166 nan 8.240 nan 0.000 0.506 942 P HA -0.065 nan 4.420 nan 0.000 0.226 942 P C 1.060 177.984 177.300 -0.627 0.000 1.146 942 P CA 0.951 63.368 63.100 -1.139 0.000 0.773 942 P CB -0.092 30.407 31.700 -2.002 0.000 0.772 943 H N -1.208 117.770 119.070 -0.153 0.000 2.482 943 H HA 0.122 4.674 4.556 -0.006 0.000 0.286 943 H C 1.447 176.866 175.328 0.152 0.000 1.017 943 H CA 0.954 57.024 56.048 0.036 0.000 1.322 943 H CB -0.114 29.674 29.762 0.044 0.000 1.426 943 H HN 0.355 nan 8.280 nan 0.000 0.546 944 Q N 0.060 120.040 119.800 0.300 0.000 2.360 944 Q HA 0.038 4.374 4.340 -0.006 0.000 0.202 944 Q C -0.115 176.175 176.000 0.484 0.000 0.915 944 Q CA -0.344 55.675 55.803 0.361 0.000 0.943 944 Q CB 0.209 29.147 28.738 0.333 0.000 1.064 944 Q HN 0.107 nan 8.270 nan 0.000 0.511 945 F N 4.494 124.548 119.950 0.174 0.000 2.543 945 F HA 0.118 4.641 4.527 -0.006 0.000 0.375 945 F C -1.830 173.996 175.800 0.043 0.000 1.075 945 F CA -3.088 54.817 58.000 -0.158 0.000 1.225 945 F CB 0.531 39.339 39.000 -0.319 0.000 1.099 945 F HN -0.035 nan 8.300 nan 0.000 0.561 946 P HA -0.165 nan 4.420 nan 0.000 0.257 946 P C -0.686 176.525 177.300 -0.149 0.000 1.144 946 P CA 0.482 63.409 63.100 -0.288 0.000 0.761 946 P CB -0.018 31.469 31.700 -0.354 0.000 0.734 947 R N 2.357 122.868 120.500 0.018 0.000 2.543 947 R HA 0.782 5.118 4.340 -0.006 0.000 0.268 947 R C 0.752 177.096 176.300 0.073 0.000 1.067 947 R CA -0.258 55.902 56.100 0.100 0.000 1.142 947 R CB -0.306 30.075 30.300 0.135 0.000 1.110 947 R HN 0.696 nan 8.270 nan 0.000 0.549 948 G N -1.208 107.654 108.800 0.105 0.000 2.343 948 G HA2 0.164 4.121 3.960 -0.006 0.000 0.562 948 G HA3 0.164 4.121 3.960 -0.006 0.000 0.562 948 G C -0.039 174.912 174.900 0.085 0.000 1.269 948 G CA 0.019 45.164 45.100 0.074 0.000 1.011 948 G HN 0.649 nan 8.290 nan 0.000 0.498 949 A N -0.767 122.082 122.820 0.048 0.000 1.911 949 A HA 0.413 4.729 4.320 -0.006 0.000 0.212 949 A C 2.713 180.325 177.584 0.046 0.000 1.189 949 A CA 2.522 54.577 52.037 0.029 0.000 0.639 949 A CB -0.861 18.128 19.000 -0.018 0.000 0.839 949 A HN 2.082 nan 8.150 nan 0.000 0.449 950 S N 0.341 116.063 115.700 0.036 0.000 2.374 950 S HA -0.104 4.363 4.470 -0.006 0.000 0.227 950 S C 0.187 174.881 174.600 0.156 0.000 1.037 950 S CA 1.893 60.121 58.200 0.047 0.000 1.024 950 S CB -0.675 62.514 63.200 -0.017 0.000 0.861 950 S HN 0.523 nan 8.310 nan 0.000 0.456 951 P HA 0.212 nan 4.420 nan 0.000 0.224 951 P C 1.741 179.293 177.300 0.419 0.000 1.159 951 P CA 1.170 64.503 63.100 0.388 0.000 0.824 951 P CB -0.651 31.164 31.700 0.191 0.000 0.833 952 G N 1.088 110.056 108.800 0.279 0.000 2.422 952 G HA2 -0.255 3.702 3.960 -0.006 0.000 0.218 952 G HA3 -0.255 3.702 3.960 -0.006 0.000 0.218 952 G C 1.668 176.705 174.900 0.228 0.000 1.146 952 G CA 1.918 47.179 45.100 0.270 0.000 0.769 952 G HN 0.419 nan 8.290 nan 0.000 0.547 953 T N -1.769 112.867 114.554 0.137 0.000 2.995 953 T HA -0.036 4.310 4.350 -0.006 0.000 0.269 953 T C 2.051 176.854 174.700 0.172 0.000 1.091 953 T CA 1.071 63.213 62.100 0.070 0.000 1.128 953 T CB -0.282 68.593 68.868 0.013 0.000 0.891 953 T HN 0.156 nan 8.240 nan 0.000 0.492 954 F N 2.313 122.322 119.950 0.098 0.000 2.146 954 F HA 0.190 4.713 4.527 -0.006 0.000 0.298 954 F C 1.798 177.574 175.800 -0.041 0.000 1.096 954 F CA 0.485 58.518 58.000 0.055 0.000 1.275 954 F CB -0.530 38.548 39.000 0.131 0.000 1.008 954 F HN 0.104 nan 8.300 nan 0.000 0.480 955 L N -0.581 120.516 121.223 -0.211 0.000 2.005 955 L HA -0.225 4.111 4.340 -0.006 0.000 0.207 955 L C 2.551 179.262 176.870 -0.265 0.000 1.072 955 L CA 1.770 56.366 54.840 -0.406 0.000 0.744 955 L CB -1.469 40.518 42.059 -0.120 0.000 0.895 955 L HN 0.118 nan 8.230 nan 0.000 0.433 956 H N -0.382 118.588 119.070 -0.167 0.000 2.357 956 H HA -0.206 4.347 4.556 -0.006 0.000 0.296 956 H C 2.657 177.866 175.328 -0.198 0.000 1.108 956 H CA 1.942 57.893 56.048 -0.162 0.000 1.273 956 H CB -0.280 29.433 29.762 -0.081 0.000 1.367 956 H HN 0.238 nan 8.280 nan 0.000 0.498 957 S N -0.290 115.377 115.700 -0.055 0.000 2.369 957 S HA -0.197 4.269 4.470 -0.006 0.000 0.225 957 S C 2.146 176.627 174.600 -0.198 0.000 1.043 957 S CA 1.471 59.617 58.200 -0.089 0.000 1.074 957 S CB -0.473 62.702 63.200 -0.042 0.000 0.962 957 S HN 0.221 nan 8.310 nan 0.000 0.433 958 L N 0.632 121.582 121.223 -0.455 0.000 2.030 958 L HA -0.127 4.209 4.340 -0.006 0.000 0.222 958 L C 2.013 178.625 176.870 -0.430 0.000 1.082 958 L CA 1.940 56.462 54.840 -0.530 0.000 0.785 958 L CB -1.359 40.077 42.059 -1.038 0.000 0.895 958 L HN 0.446 nan 8.230 nan 0.000 0.439 959 F N -1.026 118.739 119.950 -0.308 0.000 2.804 959 F HA 0.030 4.554 4.527 -0.006 0.000 0.303 959 F C 2.173 177.920 175.800 -0.088 0.000 1.154 959 F CA 0.050 57.881 58.000 -0.283 0.000 1.401 959 F CB -0.731 37.760 39.000 -0.847 0.000 1.106 959 F HN 0.205 nan 8.300 nan 0.000 0.568 960 E N 0.431 120.655 120.200 0.042 0.000 2.208 960 E HA -0.123 4.223 4.350 -0.006 0.000 0.193 960 E C -0.014 176.640 176.600 0.091 0.000 0.988 960 E CA 1.023 57.468 56.400 0.075 0.000 0.828 960 E CB 0.121 29.851 29.700 0.049 0.000 0.763 960 E HN 0.366 nan 8.360 nan 0.000 0.478 961 D N -0.106 120.352 120.400 0.096 0.000 2.584 961 D HA 0.129 4.765 4.640 -0.006 0.000 0.238 961 D C -0.830 175.482 176.300 0.020 0.000 1.302 961 D CA -0.153 53.878 54.000 0.053 0.000 0.884 961 D CB -0.482 40.344 40.800 0.042 0.000 1.456 961 D HN -0.005 nan 8.370 nan 0.000 0.528 962 L N 0.199 121.467 121.223 0.075 0.000 2.301 962 L HA 0.531 4.867 4.340 -0.006 0.000 0.264 962 L C -0.781 176.110 176.870 0.036 0.000 1.016 962 L CA -0.821 54.009 54.840 -0.017 0.000 0.821 962 L CB 2.414 44.567 42.059 0.156 0.000 1.346 962 L HN 0.046 nan 8.230 nan 0.000 0.429 963 D N 0.778 121.141 120.400 -0.062 0.000 2.772 963 D HA 0.232 4.868 4.640 -0.006 0.000 0.273 963 D C 1.080 177.462 176.300 0.136 0.000 1.233 963 D CA -0.045 53.934 54.000 -0.034 0.000 0.984 963 D CB 0.058 40.774 40.800 -0.140 0.000 1.000 963 D HN 0.322 nan 8.370 nan 0.000 0.514 964 F N -0.074 119.811 119.950 -0.108 0.000 2.106 964 F HA -0.383 4.141 4.527 -0.006 0.000 0.299 964 F C 2.770 178.521 175.800 -0.081 0.000 1.082 964 F CA 1.142 59.093 58.000 -0.081 0.000 1.244 964 F CB -0.885 38.067 39.000 -0.080 0.000 0.997 964 F HN 0.313 nan 8.300 nan 0.000 0.486 965 T N -1.125 113.500 114.554 0.119 0.000 2.570 965 T HA -0.252 4.095 4.350 -0.006 0.000 0.266 965 T C 0.965 175.673 174.700 0.014 0.000 1.071 965 T CA 1.148 63.270 62.100 0.037 0.000 1.172 965 T CB -0.696 68.168 68.868 -0.006 0.000 0.864 965 T HN 0.305 nan 8.240 nan 0.000 0.421 966 Q N 1.944 121.738 119.800 -0.009 0.000 2.308 966 Q HA 0.404 4.740 4.340 -0.006 0.000 0.207 966 Q C -2.208 173.775 176.000 -0.029 0.000 1.035 966 Q CA -2.142 53.647 55.803 -0.024 0.000 1.008 966 Q CB 0.087 28.800 28.738 -0.042 0.000 1.168 966 Q HN 0.417 nan 8.270 nan 0.000 0.565 967 P HA 0.077 nan 4.420 nan 0.000 0.276 967 P C -0.716 176.559 177.300 -0.042 0.000 1.252 967 P CA -0.219 62.866 63.100 -0.026 0.000 0.802 967 P CB 0.608 32.301 31.700 -0.011 0.000 1.035 968 V N 2.541 122.440 119.914 -0.024 0.000 2.370 968 V HA 0.012 4.128 4.120 -0.006 0.000 0.257 968 V C 0.853 176.971 176.094 0.039 0.000 1.064 968 V CA 0.026 62.319 62.300 -0.010 0.000 0.975 968 V CB -0.449 31.383 31.823 0.016 0.000 1.067 968 V HN 0.569 nan 8.190 nan 0.000 0.485 969 D N 7.677 128.102 120.400 0.041 0.000 2.401 969 D HA 0.093 4.729 4.640 -0.006 0.000 0.254 969 D C -1.533 174.866 176.300 0.165 0.000 1.192 969 D CA -1.652 52.402 54.000 0.090 0.000 0.885 969 D CB 2.023 42.876 40.800 0.089 0.000 1.147 969 D HN 0.214 nan 8.370 nan 0.000 0.478 970 P HA -0.071 nan 4.420 nan 0.000 0.217 970 P C 0.971 178.343 177.300 0.120 0.000 1.151 970 P CA 0.655 63.824 63.100 0.114 0.000 0.828 970 P CB 0.317 32.065 31.700 0.080 0.000 0.788 971 N N -1.452 117.321 118.700 0.122 0.000 2.120 971 N HA -0.190 4.546 4.740 -0.006 0.000 0.188 971 N C 1.571 177.162 175.510 0.134 0.000 1.024 971 N CA 1.057 54.172 53.050 0.109 0.000 0.852 971 N CB -0.998 37.549 38.487 0.101 0.000 1.003 971 N HN 0.278 nan 8.380 nan 0.000 0.424 972 W N 2.035 123.338 121.300 0.004 0.000 2.374 972 W HA -0.080 4.577 4.660 -0.006 0.000 0.288 972 W C 1.845 178.362 176.519 -0.004 0.000 1.218 972 W CA 0.794 58.137 57.345 -0.005 0.000 1.245 972 W CB -0.188 29.258 29.460 -0.024 0.000 1.126 972 W HN -0.232 nan 8.180 nan 0.000 0.545 973 V N 1.851 121.795 119.914 0.050 0.000 2.323 973 V HA -0.245 3.872 4.120 -0.006 0.000 0.244 973 V C 2.771 178.810 176.094 -0.091 0.000 1.041 973 V CA 2.122 64.354 62.300 -0.113 0.000 1.025 973 V CB -1.027 30.825 31.823 0.048 0.000 0.656 973 V HN 0.184 nan 8.190 nan 0.000 0.451 974 R N 0.909 121.407 120.500 -0.003 0.000 2.091 974 R HA -0.239 4.097 4.340 -0.006 0.000 0.238 974 R C 2.138 178.427 176.300 -0.019 0.000 1.136 974 R CA 2.383 58.496 56.100 0.021 0.000 0.959 974 R CB -0.484 29.842 30.300 0.042 0.000 0.856 974 R HN 0.686 nan 8.270 nan 0.000 0.437 975 E N 0.168 120.327 120.200 -0.068 0.000 2.106 975 E HA -0.181 4.165 4.350 -0.006 0.000 0.192 975 E C 1.735 178.243 176.600 -0.154 0.000 0.984 975 E CA 1.073 57.417 56.400 -0.092 0.000 0.806 975 E CB 0.122 29.768 29.700 -0.090 0.000 0.750 975 E HN 0.087 nan 8.360 nan 0.000 0.458 976 K N 0.343 120.566 120.400 -0.296 0.000 2.097 976 K HA -0.065 4.251 4.320 -0.006 0.000 0.206 976 K C 1.982 178.576 176.600 -0.009 0.000 1.049 976 K CA 0.934 57.065 56.287 -0.259 0.000 0.933 976 K CB -0.122 32.036 32.500 -0.569 0.000 0.717 976 K HN 0.156 nan 8.250 nan 0.000 0.442 977 L N -0.094 121.128 121.223 -0.001 0.000 2.068 977 L HA -0.055 4.281 4.340 -0.006 0.000 0.204 977 L C 2.411 179.313 176.870 0.053 0.000 1.076 977 L CA 1.114 55.954 54.840 0.001 0.000 0.753 977 L CB -0.450 41.667 42.059 0.098 0.000 0.910 977 L HN 0.278 nan 8.230 nan 0.000 0.439 978 E N 0.855 121.076 120.200 0.034 0.000 2.086 978 E HA -0.259 4.087 4.350 -0.006 0.000 0.200 978 E C 2.283 178.883 176.600 0.000 0.000 1.012 978 E CA 1.579 57.994 56.400 0.025 0.000 0.812 978 E CB -0.056 29.651 29.700 0.012 0.000 0.743 978 E HN 0.447 nan 8.360 nan 0.000 0.453 979 L N -0.368 120.846 121.223 -0.015 0.000 2.072 979 L HA -0.024 4.312 4.340 -0.006 0.000 0.205 979 L C 2.582 179.433 176.870 -0.031 0.000 1.079 979 L CA 0.927 55.754 54.840 -0.021 0.000 0.752 979 L CB -0.508 41.538 42.059 -0.020 0.000 0.906 979 L HN 0.254 nan 8.230 nan 0.000 0.436 980 G N -0.851 107.931 108.800 -0.030 0.000 2.653 980 G HA2 0.073 4.030 3.960 -0.006 0.000 0.212 980 G HA3 0.073 4.030 3.960 -0.006 0.000 0.212 980 G C 1.301 176.102 174.900 -0.165 0.000 1.138 980 G CA 0.637 45.704 45.100 -0.054 0.000 0.782 980 G HN 0.586 nan 8.290 nan 0.000 0.535 981 G N -1.537 107.181 108.800 -0.136 0.000 2.176 981 G HA2 -0.275 3.682 3.960 -0.006 0.000 0.253 981 G HA3 -0.275 3.682 3.960 -0.006 0.000 0.253 981 G C 0.312 175.022 174.900 -0.317 0.000 0.979 981 G CA 0.230 45.181 45.100 -0.248 0.000 0.641 981 G HN 0.340 nan 8.290 nan 0.000 0.530 982 F N 0.892 120.729 119.950 -0.188 0.000 2.352 982 F HA 0.610 5.134 4.527 -0.006 0.000 0.304 982 F C 1.115 176.940 175.800 0.041 0.000 1.215 982 F CA -0.581 57.361 58.000 -0.097 0.000 1.121 982 F CB 0.372 39.270 39.000 -0.169 0.000 1.329 982 F HN 0.050 nan 8.300 nan 0.000 0.528 983 E N -0.554 119.899 120.200 0.422 0.000 2.227 983 E HA 0.212 4.559 4.350 -0.006 0.000 0.282 983 E C 0.503 177.304 176.600 0.336 0.000 1.015 983 E CA -0.223 56.368 56.400 0.319 0.000 0.823 983 E CB 1.192 31.067 29.700 0.291 0.000 1.081 983 E HN 0.464 nan 8.360 nan 0.000 0.396 984 S N 2.460 118.275 115.700 0.193 0.000 2.402 984 S HA -0.222 4.245 4.470 -0.006 0.000 0.233 984 S C 1.192 175.889 174.600 0.161 0.000 1.030 984 S CA 1.194 59.489 58.200 0.157 0.000 1.003 984 S CB -0.140 63.115 63.200 0.091 0.000 0.813 984 S HN 0.483 nan 8.310 nan 0.000 0.477 985 Q N -0.606 119.260 119.800 0.111 0.000 2.576 985 Q HA 0.030 4.366 4.340 -0.006 0.000 0.219 985 Q C 0.642 176.631 176.000 -0.019 0.000 0.976 985 Q CA 0.540 56.351 55.803 0.013 0.000 0.977 985 Q CB -0.630 28.065 28.738 -0.072 0.000 0.988 985 Q HN 0.721 nan 8.270 nan 0.000 0.555 986 W N -0.713 120.645 121.300 0.097 0.000 3.058 986 W HA 0.104 4.760 4.660 -0.006 0.000 0.306 986 W C 1.804 178.370 176.519 0.079 0.000 1.188 986 W CA 0.004 57.420 57.345 0.118 0.000 1.651 986 W CB 0.655 30.236 29.460 0.202 0.000 1.051 986 W HN 0.261 nan 8.180 nan 0.000 0.592 987 E N 1.408 121.772 120.200 0.274 0.000 2.058 987 E HA -0.197 4.149 4.350 -0.006 0.000 0.194 987 E C -0.852 175.835 176.600 0.145 0.000 0.997 987 E CA 1.839 58.344 56.400 0.175 0.000 0.801 987 E CB -1.795 27.977 29.700 0.119 0.000 0.746 987 E HN 0.042 nan 8.360 nan 0.000 0.450 988 P HA -0.163 nan 4.420 nan 0.000 0.211 988 P C 1.709 179.076 177.300 0.113 0.000 1.179 988 P CA 1.823 64.975 63.100 0.087 0.000 0.910 988 P CB -0.114 31.614 31.700 0.047 0.000 0.785 989 V N -0.765 119.229 119.914 0.133 0.000 2.324 989 V HA -0.245 3.871 4.120 -0.006 0.000 0.250 989 V C 2.422 178.656 176.094 0.233 0.000 1.060 989 V CA 1.818 64.216 62.300 0.163 0.000 1.042 989 V CB -1.312 30.647 31.823 0.226 0.000 0.650 989 V HN 0.057 nan 8.190 nan 0.000 0.450 990 L N -0.129 121.257 121.223 0.271 0.000 2.023 990 L HA -0.099 4.237 4.340 -0.006 0.000 0.205 990 L C 2.632 179.588 176.870 0.143 0.000 1.073 990 L CA 2.604 57.577 54.840 0.222 0.000 0.745 990 L CB -0.988 41.137 42.059 0.110 0.000 0.900 990 L HN 0.375 nan 8.230 nan 0.000 0.435 991 T N -1.408 113.214 114.554 0.114 0.000 2.929 991 T HA -0.230 4.116 4.350 -0.006 0.000 0.271 991 T C 1.782 176.535 174.700 0.089 0.000 1.085 991 T CA 1.662 63.815 62.100 0.087 0.000 1.125 991 T CB -0.152 68.769 68.868 0.089 0.000 0.874 991 T HN 0.582 nan 8.240 nan 0.000 0.494 992 E N -1.615 118.656 120.200 0.119 0.000 2.276 992 E HA -0.040 4.307 4.350 -0.006 0.000 0.193 992 E C 1.853 178.557 176.600 0.174 0.000 0.983 992 E CA 0.209 56.676 56.400 0.113 0.000 0.861 992 E CB -0.218 29.537 29.700 0.092 0.000 0.817 992 E HN 0.626 nan 8.360 nan 0.000 0.485 993 W N 1.855 123.133 121.300 -0.035 0.000 2.407 993 W HA -0.038 4.618 4.660 -0.006 0.000 0.305 993 W C 1.697 178.190 176.519 -0.044 0.000 1.196 993 W CA 1.055 58.364 57.345 -0.061 0.000 1.311 993 W CB -0.662 28.735 29.460 -0.105 0.000 1.135 993 W HN 0.027 nan 8.180 nan 0.000 0.514 994 I N 0.884 121.440 120.570 -0.024 0.000 2.069 994 I HA -0.435 3.731 4.170 -0.006 0.000 0.237 994 I C 2.617 178.708 176.117 -0.045 0.000 1.053 994 I CA 2.654 63.874 61.300 -0.134 0.000 1.311 994 I CB -1.423 36.489 38.000 -0.147 0.000 1.030 994 I HN 0.035 nan 8.210 nan 0.000 0.398 995 T N 0.254 114.803 114.554 -0.009 0.000 2.624 995 T HA -0.294 4.052 4.350 -0.006 0.000 0.268 995 T C 2.026 176.724 174.700 -0.004 0.000 1.041 995 T CA 1.469 63.564 62.100 -0.009 0.000 1.159 995 T CB -0.974 67.901 68.868 0.012 0.000 0.863 995 T HN 0.424 nan 8.240 nan 0.000 0.434 996 A N 0.584 123.428 122.820 0.040 0.000 1.958 996 A HA -0.035 4.281 4.320 -0.006 0.000 0.221 996 A C 2.668 180.262 177.584 0.016 0.000 1.178 996 A CA 1.918 53.987 52.037 0.053 0.000 0.642 996 A CB -1.234 17.836 19.000 0.117 0.000 0.816 996 A HN 0.479 nan 8.150 nan 0.000 0.453 997 V N -0.634 119.266 119.914 -0.023 0.000 2.649 997 V HA -0.071 4.046 4.120 -0.006 0.000 0.248 997 V C 2.305 178.304 176.094 -0.158 0.000 1.054 997 V CA 1.427 63.668 62.300 -0.099 0.000 1.073 997 V CB -0.284 31.425 31.823 -0.190 0.000 0.699 997 V HN 0.587 nan 8.190 nan 0.000 0.463 998 L N -0.406 120.730 121.223 -0.144 0.000 1.973 998 L HA -0.185 4.151 4.340 -0.006 0.000 0.208 998 L C 2.224 179.012 176.870 -0.137 0.000 1.073 998 L CA 1.778 56.506 54.840 -0.186 0.000 0.746 998 L CB -0.509 41.460 42.059 -0.149 0.000 0.891 998 L HN 0.285 nan 8.230 nan 0.000 0.433 999 Q N 0.298 120.050 119.800 -0.081 0.000 2.408 999 Q HA 0.149 4.486 4.340 -0.006 0.000 0.214 999 Q C 0.105 176.074 176.000 -0.051 0.000 0.957 999 Q CA -0.305 55.464 55.803 -0.056 0.000 0.965 999 Q CB -0.142 28.579 28.738 -0.028 0.000 0.991 999 Q HN 0.390 nan 8.270 nan 0.000 0.505 1000 A N 2.830 125.607 122.820 -0.072 0.000 2.328 1000 A HA 0.352 4.668 4.320 -0.006 0.000 0.284 1000 A C -2.199 175.345 177.584 -0.067 0.000 1.160 1000 A CA -1.613 50.393 52.037 -0.052 0.000 0.818 1000 A CB 0.152 19.120 19.000 -0.053 0.000 1.087 1000 A HN 0.046 nan 8.150 nan 0.000 0.504 1001 P HA 0.125 nan 4.420 nan 0.000 0.270 1001 P C 0.222 177.496 177.300 -0.044 0.000 1.242 1001 P CA -0.169 62.904 63.100 -0.046 0.000 0.768 1001 P CB 0.801 32.488 31.700 -0.021 0.000 0.820 1002 L N 3.953 125.132 121.223 -0.073 0.000 1.842 1002 L HA -0.067 4.269 4.340 -0.006 0.000 0.229 1002 L C 2.374 179.238 176.870 -0.010 0.000 1.096 1002 L CA 1.707 56.516 54.840 -0.051 0.000 0.859 1002 L CB -1.380 40.629 42.059 -0.083 0.000 0.897 1002 L HN 0.401 nan 8.230 nan 0.000 0.445 1003 N N -1.745 116.954 118.700 -0.001 0.000 2.272 1003 N HA -0.016 4.720 4.740 -0.006 0.000 0.195 1003 N C 1.245 176.762 175.510 0.012 0.000 1.048 1003 N CA 1.398 54.460 53.050 0.020 0.000 0.912 1003 N CB 0.424 38.943 38.487 0.053 0.000 1.096 1003 N HN 0.381 nan 8.380 nan 0.000 0.471 1004 E N -1.099 119.112 120.200 0.017 0.000 3.353 1004 E HA 0.068 4.414 4.350 -0.006 0.000 0.217 1004 E C -0.339 176.276 176.600 0.023 0.000 1.242 1004 E CA -0.026 56.385 56.400 0.018 0.000 1.162 1004 E CB -0.052 29.663 29.700 0.024 0.000 2.813 1004 E HN 0.283 nan 8.360 nan 0.000 0.550 1005 T N 0.776 115.359 114.554 0.049 0.000 2.891 1005 T HA 0.317 4.663 4.350 -0.006 0.000 0.258 1005 T C 0.990 175.749 174.700 0.099 0.000 0.942 1005 T CA 0.359 62.502 62.100 0.072 0.000 1.200 1005 T CB -0.108 68.815 68.868 0.092 0.000 0.922 1005 T HN 0.661 nan 8.240 nan 0.000 0.585 1006 G N 3.198 112.030 108.800 0.053 0.000 4.766 1006 G HA2 -0.348 3.609 3.960 -0.006 0.000 0.314 1006 G HA3 -0.348 3.609 3.960 -0.006 0.000 0.314 1006 G C 0.284 175.125 174.900 -0.099 0.000 1.427 1006 G CA 0.057 45.178 45.100 0.035 0.000 1.024 1006 G HN 1.873 nan 8.290 nan 0.000 0.754 1007 V N 0.566 120.284 119.914 -0.326 0.000 4.248 1007 V HA 0.193 4.310 4.120 -0.006 0.000 0.316 1007 V C 0.501 176.426 176.094 -0.282 0.000 1.355 1007 V CA 1.963 63.958 62.300 -0.509 0.000 1.451 1007 V CB -1.113 30.441 31.823 -0.448 0.000 1.169 1007 V HN 2.461 nan 8.190 nan 0.000 0.405 1008 S N 4.664 120.202 115.700 -0.270 0.000 2.626 1008 S HA 0.575 5.041 4.470 -0.006 0.000 0.275 1008 S C 0.318 174.786 174.600 -0.219 0.000 1.175 1008 S CA -0.548 57.526 58.200 -0.209 0.000 0.982 1008 S CB 1.631 64.755 63.200 -0.126 0.000 1.093 1008 S HN 0.525 nan 8.310 nan 0.000 0.472 1009 L N 3.259 124.317 121.223 -0.275 0.000 2.119 1009 L HA -0.271 4.065 4.340 -0.006 0.000 0.226 1009 L C 2.935 179.825 176.870 0.034 0.000 1.093 1009 L CA 2.314 57.039 54.840 -0.191 0.000 0.806 1009 L CB -1.222 40.613 42.059 -0.373 0.000 0.902 1009 L HN 0.966 nan 8.230 nan 0.000 0.444 1010 S N -0.983 114.702 115.700 -0.026 0.000 2.465 1010 S HA -0.233 4.233 4.470 -0.006 0.000 0.241 1010 S C 1.636 176.259 174.600 0.039 0.000 1.000 1010 S CA 1.187 59.410 58.200 0.040 0.000 0.964 1010 S CB -0.371 62.824 63.200 -0.009 0.000 0.763 1010 S HN 0.595 nan 8.310 nan 0.000 0.512 1011 Q N 0.327 120.129 119.800 0.003 0.000 2.360 1011 Q HA 0.335 4.672 4.340 -0.006 0.000 0.202 1011 Q C -0.339 175.686 176.000 0.042 0.000 0.915 1011 Q CA 0.055 55.873 55.803 0.025 0.000 0.943 1011 Q CB -0.009 28.746 28.738 0.029 0.000 1.064 1011 Q HN 0.561 nan 8.270 nan 0.000 0.511 1012 L N 1.949 123.183 121.223 0.019 0.000 2.260 1012 L HA 0.248 4.584 4.340 -0.006 0.000 0.289 1012 L C 0.339 177.176 176.870 -0.055 0.000 1.057 1012 L CA -0.633 54.207 54.840 -0.001 0.000 0.811 1012 L CB 1.036 43.048 42.059 -0.078 0.000 1.184 1012 L HN 0.023 nan 8.230 nan 0.000 0.429 1013 S N 1.951 117.634 115.700 -0.029 0.000 2.672 1013 S HA 0.558 5.025 4.470 -0.006 0.000 0.276 1013 S C 1.206 175.751 174.600 -0.092 0.000 1.207 1013 S CA -0.202 57.961 58.200 -0.062 0.000 1.002 1013 S CB 1.845 65.033 63.200 -0.020 0.000 0.998 1013 S HN 0.658 nan 8.310 nan 0.000 0.542 1014 A N 1.825 124.578 122.820 -0.110 0.000 1.881 1014 A HA -0.263 4.053 4.320 -0.006 0.000 0.219 1014 A C 2.194 179.749 177.584 -0.048 0.000 1.215 1014 A CA 2.417 54.391 52.037 -0.106 0.000 0.648 1014 A CB -1.358 17.592 19.000 -0.083 0.000 0.832 1014 A HN 1.010 nan 8.150 nan 0.000 0.455 1015 R N -0.253 120.238 120.500 -0.016 0.000 2.185 1015 R HA -0.161 4.175 4.340 -0.006 0.000 0.247 1015 R C 0.579 176.912 176.300 0.056 0.000 1.159 1015 R CA 1.877 57.987 56.100 0.018 0.000 0.988 1015 R CB -0.285 30.028 30.300 0.023 0.000 0.871 1015 R HN 0.593 nan 8.270 nan 0.000 0.458 1016 N N 0.147 118.890 118.700 0.071 0.000 2.235 1016 N HA 0.054 4.791 4.740 -0.006 0.000 0.209 1016 N C -0.802 174.814 175.510 0.176 0.000 1.122 1016 N CA 0.311 53.452 53.050 0.153 0.000 0.845 1016 N CB 0.788 39.391 38.487 0.193 0.000 1.004 1016 N HN 0.172 nan 8.380 nan 0.000 0.499 1017 K N 0.657 121.102 120.400 0.075 0.000 2.324 1017 K HA 0.357 4.673 4.320 -0.006 0.000 0.253 1017 K C -0.824 175.798 176.600 0.037 0.000 0.932 1017 K CA -0.603 55.717 56.287 0.056 0.000 0.799 1017 K CB 2.107 34.542 32.500 -0.109 0.000 1.154 1017 K HN -0.216 nan 8.250 nan 0.000 0.425 1018 Q N 2.161 122.000 119.800 0.064 0.000 2.337 1018 Q HA 0.256 4.592 4.340 -0.006 0.000 0.260 1018 Q C -1.478 174.550 176.000 0.046 0.000 0.982 1018 Q CA -0.533 55.287 55.803 0.029 0.000 0.734 1018 Q CB 1.684 30.425 28.738 0.005 0.000 1.272 1018 Q HN 0.382 nan 8.270 nan 0.000 0.461 1019 V N 3.206 123.146 119.914 0.042 0.000 2.567 1019 V HA 0.365 4.482 4.120 -0.006 0.000 0.289 1019 V C 0.010 176.143 176.094 0.065 0.000 1.049 1019 V CA -0.623 61.725 62.300 0.080 0.000 0.969 1019 V CB 1.295 33.171 31.823 0.088 0.000 0.995 1019 V HN 0.932 nan 8.190 nan 0.000 0.471 1020 E N 2.363 122.622 120.200 0.097 0.000 2.513 1020 E HA -0.222 4.125 4.350 -0.006 0.000 0.156 1020 E C -0.462 176.149 176.600 0.020 0.000 1.740 1020 E CA 0.242 56.706 56.400 0.108 0.000 0.646 1020 E CB -0.422 29.368 29.700 0.151 0.000 1.080 1020 E HN 0.615 nan 8.360 nan 0.000 0.345 1021 M N 1.942 121.513 119.600 -0.048 0.000 2.144 1021 M HA 0.141 4.617 4.480 -0.006 0.000 0.356 1021 M C 0.216 176.356 176.300 -0.267 0.000 1.217 1021 M CA 0.063 55.270 55.300 -0.154 0.000 1.087 1021 M CB 0.996 33.488 32.600 -0.180 0.000 1.609 1021 M HN 0.274 nan 8.290 nan 0.000 0.467 1022 E N 5.465 125.431 120.200 -0.390 0.000 2.113 1022 E HA 0.413 4.760 4.350 -0.006 0.000 0.273 1022 E C -1.678 174.656 176.600 -0.445 0.000 0.924 1022 E CA -0.514 55.458 56.400 -0.714 0.000 0.764 1022 E CB 0.888 30.097 29.700 -0.818 0.000 1.104 1022 E HN 0.489 nan 8.360 nan 0.000 0.406 1023 F N 2.294 121.960 119.950 -0.472 0.000 2.575 1023 F HA 0.623 5.146 4.527 -0.006 0.000 0.330 1023 F C -1.493 174.099 175.800 -0.347 0.000 1.056 1023 F CA -1.116 56.695 58.000 -0.314 0.000 0.964 1023 F CB 0.974 39.804 39.000 -0.283 0.000 1.258 1023 F HN 0.242 nan 8.300 nan 0.000 0.484 1024 Y N 2.129 122.470 120.300 0.068 0.000 2.373 1024 Y HA 0.511 5.057 4.550 -0.006 0.000 0.327 1024 Y C -1.329 174.594 175.900 0.037 0.000 1.036 1024 Y CA -0.701 57.402 58.100 0.005 0.000 1.265 1024 Y CB 1.669 40.094 38.460 -0.058 0.000 1.108 1024 Y HN 0.517 nan 8.280 nan 0.000 0.471 1025 L N 7.476 128.798 121.223 0.166 0.000 2.259 1025 L HA 0.437 4.773 4.340 -0.006 0.000 0.288 1025 L C -2.125 174.644 176.870 -0.169 0.000 1.051 1025 L CA -2.140 52.685 54.840 -0.025 0.000 0.824 1025 L CB 0.529 42.575 42.059 -0.022 0.000 1.206 1025 L HN 0.328 nan 8.230 nan 0.000 0.429 1026 P HA 0.106 nan 4.420 nan 0.000 0.269 1026 P C -0.732 176.184 177.300 -0.640 0.000 1.209 1026 P CA 0.012 62.924 63.100 -0.313 0.000 0.776 1026 P CB 0.792 32.365 31.700 -0.212 0.000 0.876 1027 I N -1.474 118.971 120.570 -0.207 0.000 2.517 1027 I HA 0.428 4.594 4.170 -0.006 0.000 0.280 1027 I C -0.393 175.892 176.117 0.280 0.000 1.061 1027 I CA -0.700 60.656 61.300 0.092 0.000 1.091 1027 I CB 1.678 39.677 38.000 -0.001 0.000 1.205 1027 I HN 0.093 nan 8.210 nan 0.000 0.459 1028 S N 4.043 120.108 115.700 0.608 0.000 2.730 1028 S HA 0.464 4.930 4.470 -0.006 0.000 0.284 1028 S C -0.300 174.413 174.600 0.188 0.000 1.153 1028 S CA -0.074 58.327 58.200 0.334 0.000 0.995 1028 S CB 0.710 64.092 63.200 0.302 0.000 1.058 1028 S HN 0.799 nan 8.310 nan 0.000 0.552 1029 E N 1.534 121.807 120.200 0.122 0.000 5.927 1029 E HA -0.107 4.239 4.350 -0.006 0.000 0.230 1029 E C -2.531 174.125 176.600 0.092 0.000 1.566 1029 E CA -0.047 56.399 56.400 0.077 0.000 1.286 1029 E CB -0.828 28.889 29.700 0.028 0.000 0.975 1029 E HN 0.436 nan 8.360 nan 0.000 0.314 1030 P HA -0.154 nan 4.420 nan 0.000 0.263 1030 P C -0.294 177.067 177.300 0.102 0.000 1.145 1030 P CA 0.368 63.520 63.100 0.086 0.000 0.755 1030 P CB 0.440 32.182 31.700 0.072 0.000 0.746 1031 L N 5.476 126.780 121.223 0.136 0.000 2.282 1031 L HA 0.285 4.622 4.340 -0.006 0.000 0.287 1031 L C -0.274 176.746 176.870 0.249 0.000 1.075 1031 L CA -0.527 54.428 54.840 0.190 0.000 0.839 1031 L CB -0.358 41.822 42.059 0.201 0.000 1.219 1031 L HN 0.122 nan 8.230 nan 0.000 0.434 1032 I N 4.979 125.631 120.570 0.138 0.000 2.371 1032 I HA 0.283 4.449 4.170 -0.006 0.000 0.290 1032 I C 1.604 177.688 176.117 -0.055 0.000 1.028 1032 I CA 0.354 61.666 61.300 0.021 0.000 1.345 1032 I CB 1.281 39.276 38.000 -0.009 0.000 1.407 1032 I HN 0.760 nan 8.210 nan 0.000 0.501 1033 A N 4.603 127.134 122.820 -0.480 0.000 1.927 1033 A HA -0.251 4.065 4.320 -0.006 0.000 0.220 1033 A C 2.313 179.764 177.584 -0.221 0.000 1.185 1033 A CA 2.550 54.117 52.037 -0.783 0.000 0.639 1033 A CB -0.957 17.280 19.000 -1.271 0.000 0.820 1033 A HN 0.819 nan 8.150 nan 0.000 0.451 1034 S N -0.744 114.857 115.700 -0.165 0.000 2.345 1034 S HA -0.239 4.227 4.470 -0.006 0.000 0.220 1034 S C 1.993 176.584 174.600 -0.015 0.000 1.031 1034 S CA 1.299 59.457 58.200 -0.070 0.000 0.996 1034 S CB -0.726 62.436 63.200 -0.064 0.000 0.882 1034 S HN 0.650 nan 8.310 nan 0.000 0.445 1035 Q N 0.275 120.072 119.800 -0.005 0.000 2.197 1035 Q HA -0.083 4.253 4.340 -0.006 0.000 0.207 1035 Q C 2.135 178.161 176.000 0.043 0.000 0.984 1035 Q CA 1.510 57.326 55.803 0.021 0.000 0.869 1035 Q CB -0.354 28.401 28.738 0.027 0.000 0.906 1035 Q HN 0.506 nan 8.270 nan 0.000 0.426 1036 L N 0.663 121.930 121.223 0.073 0.000 2.209 1036 L HA -0.099 4.237 4.340 -0.006 0.000 0.207 1036 L C 1.882 178.802 176.870 0.082 0.000 1.094 1036 L CA 1.517 56.415 54.840 0.098 0.000 0.790 1036 L CB -0.302 41.870 42.059 0.188 0.000 0.932 1036 L HN 0.174 nan 8.230 nan 0.000 0.447 1037 D N -0.979 119.465 120.400 0.074 0.000 2.182 1037 D HA -0.227 4.410 4.640 -0.006 0.000 0.201 1037 D C 1.764 178.096 176.300 0.054 0.000 0.986 1037 D CA 1.817 55.855 54.000 0.064 0.000 0.847 1037 D CB 0.188 41.012 40.800 0.040 0.000 0.942 1037 D HN 0.549 nan 8.370 nan 0.000 0.467 1038 T N 0.488 115.069 114.554 0.046 0.000 2.569 1038 T HA -0.219 4.127 4.350 -0.006 0.000 0.263 1038 T C 2.494 177.236 174.700 0.071 0.000 1.074 1038 T CA 2.370 64.500 62.100 0.050 0.000 1.176 1038 T CB -1.216 67.676 68.868 0.041 0.000 0.863 1038 T HN 0.347 nan 8.240 nan 0.000 0.410 1039 L N -0.224 121.033 121.223 0.057 0.000 2.083 1039 L HA 0.077 4.413 4.340 -0.006 0.000 0.209 1039 L C 2.716 179.628 176.870 0.069 0.000 1.083 1039 L CA 1.127 56.001 54.840 0.056 0.000 0.752 1039 L CB -1.141 40.880 42.059 -0.064 0.000 0.899 1039 L HN 0.077 nan 8.230 nan 0.000 0.433 1040 I N 0.966 121.564 120.570 0.046 0.000 2.335 1040 I HA -0.244 3.922 4.170 -0.006 0.000 0.251 1040 I C 2.901 179.080 176.117 0.104 0.000 1.129 1040 I CA 1.701 63.037 61.300 0.059 0.000 1.402 1040 I CB -1.026 37.011 38.000 0.062 0.000 1.069 1040 I HN 0.531 nan 8.210 nan 0.000 0.424 1041 R N 1.278 121.840 120.500 0.104 0.000 2.064 1041 R HA -0.215 4.122 4.340 -0.006 0.000 0.228 1041 R C 2.346 178.723 176.300 0.128 0.000 1.144 1041 R CA 1.785 57.943 56.100 0.097 0.000 0.932 1041 R CB -0.614 29.729 30.300 0.072 0.000 0.833 1041 R HN 0.336 nan 8.270 nan 0.000 0.429 1042 Q N -0.679 119.226 119.800 0.176 0.000 2.173 1042 Q HA -0.213 4.123 4.340 -0.006 0.000 0.208 1042 Q C 1.480 177.540 176.000 0.101 0.000 0.989 1042 Q CA 2.156 58.049 55.803 0.150 0.000 0.872 1042 Q CB -0.088 28.775 28.738 0.209 0.000 0.909 1042 Q HN 0.450 nan 8.270 nan 0.000 0.420 1043 F N -0.231 119.718 119.950 -0.002 0.000 2.530 1043 F HA 0.218 4.741 4.527 -0.006 0.000 0.292 1043 F C 0.341 176.140 175.800 -0.002 0.000 1.109 1043 F CA 0.083 58.081 58.000 -0.005 0.000 1.450 1043 F CB 0.258 39.252 39.000 -0.009 0.000 1.114 1043 F HN -0.021 nan 8.300 nan 0.000 0.560 1044 D N 0.889 121.400 120.400 0.184 0.000 2.303 1044 D HA 0.233 4.870 4.640 -0.006 0.000 0.236 1044 D C -1.689 174.644 176.300 0.055 0.000 1.068 1044 D CA -2.229 51.828 54.000 0.095 0.000 0.830 1044 D CB 1.796 42.637 40.800 0.069 0.000 1.109 1044 D HN -0.148 nan 8.370 nan 0.000 0.496 1045 P HA -0.054 nan 4.420 nan 0.000 0.231 1045 P C 1.497 178.811 177.300 0.024 0.000 1.168 1045 P CA 0.292 63.407 63.100 0.024 0.000 0.779 1045 P CB 0.741 32.451 31.700 0.018 0.000 0.844 1046 L N 0.839 122.074 121.223 0.020 0.000 2.023 1046 L HA -0.064 4.272 4.340 -0.006 0.000 0.205 1046 L C 2.124 178.996 176.870 0.003 0.000 1.073 1046 L CA 1.896 56.742 54.840 0.010 0.000 0.745 1046 L CB -0.568 41.481 42.059 -0.018 0.000 0.900 1046 L HN 0.038 nan 8.230 nan 0.000 0.435 1047 S N -0.395 115.308 115.700 0.005 0.000 2.803 1047 S HA 0.057 4.524 4.470 -0.006 0.000 0.226 1047 S C 1.529 176.147 174.600 0.029 0.000 0.962 1047 S CA 0.417 58.629 58.200 0.019 0.000 0.968 1047 S CB -0.047 63.172 63.200 0.032 0.000 0.786 1047 S HN 0.382 nan 8.310 nan 0.000 0.527 1048 A N 1.460 124.294 122.820 0.024 0.000 2.014 1048 A HA 0.385 4.701 4.320 -0.006 0.000 0.218 1048 A C 1.604 179.200 177.584 0.020 0.000 1.163 1048 A CA 0.571 52.623 52.037 0.024 0.000 0.652 1048 A CB -0.937 18.074 19.000 0.019 0.000 0.808 1048 A HN 0.663 nan 8.150 nan 0.000 0.449 1049 G N -0.734 108.076 108.800 0.017 0.000 2.716 1049 G HA2 0.299 4.256 3.960 -0.006 0.000 0.296 1049 G HA3 0.299 4.256 3.960 -0.006 0.000 0.296 1049 G C 0.124 175.035 174.900 0.019 0.000 0.811 1049 G CA -0.223 44.885 45.100 0.014 0.000 1.758 1049 G HN 0.303 nan 8.290 nan 0.000 0.512 1050 C N 3.846 123.158 119.300 0.020 0.000 2.463 1050 C HA 0.133 4.589 4.460 -0.006 0.000 0.430 1050 C C -0.192 174.811 174.990 0.022 0.000 1.288 1050 C CA -0.734 58.298 59.018 0.024 0.000 1.619 1050 C CB -0.640 27.114 27.740 0.023 0.000 1.864 1050 C HN 0.572 nan 8.230 nan 0.000 0.595 1051 P HA -0.012 nan 4.420 nan 0.000 0.219 1051 P C -1.243 176.071 177.300 0.023 0.000 1.150 1051 P CA 0.799 63.910 63.100 0.017 0.000 0.814 1051 P CB -0.867 30.843 31.700 0.016 0.000 0.787 1052 P HA -0.235 nan 4.420 nan 0.000 0.299 1052 P C 0.610 177.934 177.300 0.039 0.000 1.967 1052 P CA 1.156 64.296 63.100 0.068 0.000 1.762 1052 P CB -0.371 31.379 31.700 0.082 0.000 0.249 1053 L N -3.990 117.260 121.223 0.045 0.000 3.833 1053 L HA -0.232 4.104 4.340 -0.006 0.000 0.447 1053 L C 0.914 177.702 176.870 -0.137 0.000 1.213 1053 L CA 1.313 56.078 54.840 -0.124 0.000 0.801 1053 L CB -2.643 39.326 42.059 -0.150 0.000 1.676 1053 L HN 0.587 nan 8.230 nan 0.000 0.883 1054 E N 0.461 120.675 120.200 0.025 0.000 2.479 1054 E HA 0.172 4.519 4.350 -0.006 0.000 0.193 1054 E C 0.529 177.180 176.600 0.085 0.000 1.049 1054 E CA -0.055 56.370 56.400 0.041 0.000 0.870 1054 E CB 0.055 29.802 29.700 0.078 0.000 0.944 1054 E HN 0.771 nan 8.360 nan 0.000 0.492 1055 F N 0.831 120.782 119.950 0.001 0.000 2.613 1055 F HA 0.665 5.188 4.527 -0.006 0.000 0.342 1055 F C -0.317 175.484 175.800 0.002 0.000 1.066 1055 F CA -1.883 56.115 58.000 -0.002 0.000 1.002 1055 F CB 0.916 39.918 39.000 0.003 0.000 1.319 1055 F HN -0.170 nan 8.300 nan 0.000 0.495 1056 M N -0.259 119.391 119.600 0.083 0.000 2.644 1056 M HA 0.480 4.956 4.480 -0.006 0.000 0.304 1056 M C -1.071 175.308 176.300 0.132 0.000 1.215 1056 M CA -0.964 54.315 55.300 -0.035 0.000 0.871 1056 M CB 1.918 34.513 32.600 -0.009 0.000 1.740 1056 M HN 0.731 nan 8.290 nan 0.000 0.464 1057 Q N 1.235 121.066 119.800 0.052 0.000 3.237 1057 Q HA 0.034 4.370 4.340 -0.006 0.000 0.397 1057 Q C -1.201 174.876 176.000 0.128 0.000 1.085 1057 Q CA 0.652 56.517 55.803 0.104 0.000 1.207 1057 Q CB -0.036 28.734 28.738 0.053 0.000 1.109 1057 Q HN 0.556 nan 8.270 nan 0.000 0.476 1058 V N 4.146 124.140 119.914 0.134 0.000 2.711 1058 V HA 0.423 4.539 4.120 -0.006 0.000 0.304 1058 V C -0.294 175.795 176.094 -0.009 0.000 1.097 1058 V CA -0.833 61.498 62.300 0.051 0.000 0.906 1058 V CB 2.072 33.914 31.823 0.032 0.000 1.015 1058 V HN 0.658 nan 8.190 nan 0.000 0.427 1059 R N 1.827 122.285 120.500 -0.071 0.000 2.589 1059 R HA 0.860 5.197 4.340 -0.006 0.000 0.293 1059 R C 0.535 176.501 176.300 -0.557 0.000 0.963 1059 R CA 0.323 56.348 56.100 -0.126 0.000 0.905 1059 R CB 2.141 32.474 30.300 0.055 0.000 1.144 1059 R HN 1.108 nan 8.270 nan 0.000 0.459 1060 G N 1.752 110.035 108.800 -0.862 0.000 2.061 1060 G HA2 -0.062 3.894 3.960 -0.006 0.000 0.059 1060 G HA3 -0.062 3.894 3.960 -0.006 0.000 0.059 1060 G C -1.083 173.263 174.900 -0.922 0.000 1.013 1060 G CA -0.633 43.249 45.100 -2.031 0.000 1.185 1060 G HN 0.347 nan 8.290 nan 0.000 0.410 1061 M N -0.313 118.958 119.600 -0.549 0.000 2.819 1061 M HA 0.866 5.342 4.480 -0.006 0.000 0.300 1061 M C -1.324 174.915 176.300 -0.102 0.000 1.237 1061 M CA -0.776 54.445 55.300 -0.133 0.000 0.813 1061 M CB 1.448 34.137 32.600 0.148 0.000 1.755 1061 M HN 0.805 nan 8.290 nan 0.000 0.484 1062 L N 1.305 122.509 121.223 -0.031 0.000 2.563 1062 L HA 0.402 4.738 4.340 -0.006 0.000 0.259 1062 L C -0.537 176.219 176.870 -0.189 0.000 1.034 1062 L CA -0.088 54.721 54.840 -0.051 0.000 0.899 1062 L CB 0.714 42.793 42.059 0.033 0.000 1.159 1062 L HN 0.552 nan 8.230 nan 0.000 0.456 1063 K N 1.901 122.075 120.400 -0.377 0.000 2.187 1063 K HA 0.751 5.067 4.320 -0.006 0.000 0.247 1063 K C 0.041 176.200 176.600 -0.735 0.000 1.019 1063 K CA 0.222 56.052 56.287 -0.763 0.000 0.893 1063 K CB 0.765 32.958 32.500 -0.512 0.000 1.025 1063 K HN 0.785 nan 8.250 nan 0.000 0.500 1064 G N 1.093 109.192 108.800 -1.169 0.000 2.380 1064 G HA2 0.344 4.300 3.960 -0.006 0.000 0.305 1064 G HA3 0.344 4.300 3.960 -0.006 0.000 0.305 1064 G C -1.822 172.415 174.900 -1.106 0.000 1.672 1064 G CA -0.872 43.596 45.100 -1.055 0.000 0.904 1064 G HN 0.240 nan 8.290 nan 0.000 0.686 1065 F N 1.809 121.497 119.950 -0.437 0.000 2.480 1065 F HA 0.682 5.205 4.527 -0.006 0.000 0.329 1065 F C 0.352 175.968 175.800 -0.306 0.000 1.091 1065 F CA -1.313 56.512 58.000 -0.292 0.000 0.972 1065 F CB 2.015 40.930 39.000 -0.142 0.000 1.150 1065 F HN 0.170 nan 8.300 nan 0.000 0.467 1066 I N 3.138 123.648 120.570 -0.100 0.000 2.354 1066 I HA 0.163 4.329 4.170 -0.006 0.000 0.286 1066 I C 0.693 176.828 176.117 0.030 0.000 1.007 1066 I CA -0.490 60.710 61.300 -0.167 0.000 1.167 1066 I CB 1.195 39.084 38.000 -0.185 0.000 1.320 1066 I HN 0.601 nan 8.210 nan 0.000 0.458 1067 D N 4.035 124.493 120.400 0.096 0.000 2.116 1067 D HA -0.134 4.502 4.640 -0.006 0.000 0.193 1067 D C 0.453 176.875 176.300 0.203 0.000 0.998 1067 D CA 1.897 56.012 54.000 0.191 0.000 0.836 1067 D CB 0.448 41.396 40.800 0.247 0.000 0.951 1067 D HN 0.332 nan 8.370 nan 0.000 0.449 1068 L N -0.762 120.544 121.223 0.138 0.000 2.549 1068 L HA 0.348 4.684 4.340 -0.006 0.000 0.259 1068 L C -1.825 175.158 176.870 0.188 0.000 0.934 1068 L CA -0.600 54.344 54.840 0.174 0.000 0.865 1068 L CB 2.387 44.574 42.059 0.214 0.000 1.352 1068 L HN -0.293 nan 8.230 nan 0.000 0.410 1069 V N 5.571 125.606 119.914 0.201 0.000 2.524 1069 V HA 0.656 4.773 4.120 -0.006 0.000 0.297 1069 V C -0.574 175.694 176.094 0.291 0.000 1.035 1069 V CA -0.347 62.072 62.300 0.198 0.000 0.867 1069 V CB 1.232 33.081 31.823 0.044 0.000 1.004 1069 V HN 0.730 nan 8.190 nan 0.000 0.426 1070 F N 3.335 123.406 119.950 0.202 0.000 2.691 1070 F HA 0.952 5.475 4.527 -0.006 0.000 0.334 1070 F C -0.421 175.625 175.800 0.410 0.000 1.107 1070 F CA -1.649 56.483 58.000 0.219 0.000 0.991 1070 F CB 1.802 40.878 39.000 0.126 0.000 1.400 1070 F HN 0.487 nan 8.300 nan 0.000 0.503 1071 R N 0.421 121.170 120.500 0.415 0.000 2.538 1071 R HA 0.366 4.702 4.340 -0.006 0.000 0.292 1071 R C -1.898 174.630 176.300 0.380 0.000 1.008 1071 R CA -0.820 55.486 56.100 0.342 0.000 0.896 1071 R CB 1.227 31.761 30.300 0.389 0.000 1.187 1071 R HN 0.857 nan 8.270 nan 0.000 0.440 1072 H N 3.072 122.261 119.070 0.199 0.000 2.588 1072 H HA 0.129 4.681 4.556 -0.006 0.000 0.223 1072 H C -0.520 174.871 175.328 0.105 0.000 1.804 1072 H CA -0.322 55.826 56.048 0.168 0.000 1.269 1072 H CB 0.070 29.910 29.762 0.131 0.000 1.670 1072 H HN 0.601 nan 8.280 nan 0.000 0.539 1073 E N 2.267 122.489 120.200 0.036 0.000 1.580 1073 E HA -0.233 4.114 4.350 -0.006 0.000 0.174 1073 E C 1.042 177.599 176.600 -0.073 0.000 1.177 1073 E CA 1.415 57.789 56.400 -0.043 0.000 0.512 1073 E CB -1.238 28.422 29.700 -0.068 0.000 1.034 1073 E HN 1.042 nan 8.360 nan 0.000 0.266 1074 G N 0.866 109.630 108.800 -0.060 0.000 4.018 1074 G HA2 -0.080 3.876 3.960 -0.006 0.000 0.195 1074 G HA3 -0.080 3.876 3.960 -0.006 0.000 0.195 1074 G C 0.120 174.967 174.900 -0.088 0.000 1.019 1074 G CA -0.174 44.894 45.100 -0.054 0.000 0.871 1074 G HN 0.245 nan 8.290 nan 0.000 0.339 1075 R N -0.545 119.917 120.500 -0.064 0.000 2.869 1075 R HA 0.642 4.978 4.340 -0.006 0.000 0.263 1075 R C -1.446 174.762 176.300 -0.155 0.000 1.066 1075 R CA -0.788 55.214 56.100 -0.163 0.000 0.960 1075 R CB 1.271 31.463 30.300 -0.180 0.000 1.221 1075 R HN 0.225 nan 8.270 nan 0.000 0.474 1076 Y N -0.194 120.105 120.300 -0.001 0.000 2.487 1076 Y HA 0.504 5.051 4.550 -0.006 0.000 0.337 1076 Y C -0.491 175.312 175.900 -0.163 0.000 1.076 1076 Y CA -0.824 57.283 58.100 0.013 0.000 1.115 1076 Y CB 1.673 40.159 38.460 0.043 0.000 1.235 1076 Y HN 0.364 nan 8.280 nan 0.000 0.468 1077 Y N 0.607 120.826 120.300 -0.134 0.000 2.638 1077 Y HA 0.582 5.129 4.550 -0.006 0.000 0.339 1077 Y C -1.315 174.611 175.900 0.043 0.000 1.084 1077 Y CA -1.353 56.663 58.100 -0.140 0.000 1.068 1077 Y CB 1.259 39.320 38.460 -0.665 0.000 1.294 1077 Y HN 0.296 nan 8.280 nan 0.000 0.480 1078 L N 2.368 123.792 121.223 0.335 0.000 2.342 1078 L HA 0.513 4.849 4.340 -0.006 0.000 0.276 1078 L C -1.400 175.617 176.870 0.246 0.000 0.997 1078 L CA -0.282 54.716 54.840 0.263 0.000 0.838 1078 L CB 1.351 43.572 42.059 0.270 0.000 1.224 1078 L HN 0.455 nan 8.230 nan 0.000 0.416 1079 L N 3.834 125.160 121.223 0.171 0.000 2.341 1079 L HA 0.647 4.983 4.340 -0.006 0.000 0.278 1079 L C -1.036 175.729 176.870 -0.175 0.000 1.005 1079 L CA 0.067 54.898 54.840 -0.016 0.000 0.818 1079 L CB 1.658 43.646 42.059 -0.118 0.000 1.259 1079 L HN 0.486 nan 8.230 nan 0.000 0.418 1080 D N 3.735 123.918 120.400 -0.362 0.000 2.421 1080 D HA 0.179 4.815 4.640 -0.006 0.000 0.254 1080 D C -1.294 174.643 176.300 -0.605 0.000 1.238 1080 D CA -0.285 53.439 54.000 -0.460 0.000 0.919 1080 D CB 0.564 40.936 40.800 -0.713 0.000 1.152 1080 D HN 0.342 nan 8.370 nan 0.000 0.552 1081 Y N 2.165 122.167 120.300 -0.498 0.000 2.526 1081 Y HA 0.189 4.735 4.550 -0.006 0.000 0.330 1081 Y C 0.977 176.562 175.900 -0.524 0.000 1.156 1081 Y CA 0.158 57.906 58.100 -0.586 0.000 1.419 1081 Y CB 0.694 38.707 38.460 -0.744 0.000 1.250 1081 Y HN -0.032 nan 8.280 nan 0.000 0.540 1082 K N 2.486 122.705 120.400 -0.302 0.000 2.616 1082 K HA 0.298 4.614 4.320 -0.006 0.000 0.241 1082 K C -0.811 175.873 176.600 0.141 0.000 0.961 1082 K CA -0.553 55.624 56.287 -0.182 0.000 0.942 1082 K CB 1.447 33.540 32.500 -0.677 0.000 1.153 1082 K HN 0.675 nan 8.250 nan 0.000 0.452 1083 S N 2.616 118.497 115.700 0.303 0.000 2.439 1083 S HA 0.362 4.828 4.470 -0.006 0.000 0.282 1083 S C -0.230 174.657 174.600 0.478 0.000 1.170 1083 S CA -0.216 58.236 58.200 0.419 0.000 1.054 1083 S CB 0.547 63.980 63.200 0.388 0.000 0.956 1083 S HN 0.574 nan 8.310 nan 0.000 0.490 1084 N N 1.179 120.254 118.700 0.625 0.000 3.461 1084 N HA 0.494 5.230 4.740 -0.006 0.000 0.295 1084 N C -1.088 174.777 175.510 0.592 0.000 1.483 1084 N CA -0.737 52.642 53.050 0.548 0.000 0.748 1084 N CB -0.172 38.651 38.487 0.561 0.000 3.041 1084 N HN 0.661 nan 8.380 nan 0.000 0.487 1085 W N 0.923 122.415 121.300 0.321 0.000 2.605 1085 W HA -0.228 4.429 4.660 -0.006 0.000 0.237 1085 W C 0.264 176.947 176.519 0.273 0.000 0.684 1085 W CA 0.805 58.291 57.345 0.234 0.000 0.651 1085 W CB -0.118 29.425 29.460 0.138 0.000 1.059 1085 W HN 0.389 nan 8.180 nan 0.000 0.405 1086 L N 1.445 122.954 121.223 0.477 0.000 3.360 1086 L HA 0.135 4.471 4.340 -0.006 0.000 0.303 1086 L C 1.649 178.715 176.870 0.327 0.000 1.218 1086 L CA 0.472 55.517 54.840 0.341 0.000 1.059 1086 L CB 0.077 42.265 42.059 0.215 0.000 1.468 1086 L HN 0.532 nan 8.230 nan 0.000 0.614 1087 G N 1.097 110.194 108.800 0.495 0.000 2.576 1087 G HA2 0.039 3.996 3.960 -0.006 0.000 0.291 1087 G HA3 0.039 3.996 3.960 -0.006 0.000 0.291 1087 G C 0.787 175.764 174.900 0.129 0.000 0.782 1087 G CA -0.069 45.258 45.100 0.378 0.000 1.886 1087 G HN 0.225 nan 8.290 nan 0.000 0.493 1088 E N 1.371 121.617 120.200 0.075 0.000 3.634 1088 E HA -0.273 4.073 4.350 -0.006 0.000 0.497 1088 E C 0.326 176.747 176.600 -0.298 0.000 1.685 1088 E CA 2.044 58.418 56.400 -0.043 0.000 1.187 1088 E CB -0.382 29.294 29.700 -0.040 0.000 1.087 1088 E HN 0.659 nan 8.360 nan 0.000 0.369 1089 D N -1.888 118.297 120.400 -0.359 0.000 2.661 1089 D HA 0.205 4.841 4.640 -0.006 0.000 0.228 1089 D C 0.855 176.991 176.300 -0.273 0.000 1.210 1089 D CA 0.507 54.081 54.000 -0.710 0.000 0.826 1089 D CB 1.808 42.346 40.800 -0.438 0.000 1.542 1089 D HN 0.280 nan 8.370 nan 0.000 0.447 1090 S N 1.163 116.795 115.700 -0.115 0.000 2.956 1090 S HA -0.419 4.048 4.470 -0.006 0.000 0.401 1090 S C 1.860 176.495 174.600 0.060 0.000 1.491 1090 S CA 2.788 61.028 58.200 0.068 0.000 1.382 1090 S CB -1.872 61.327 63.200 -0.002 0.000 1.335 1090 S HN 0.717 nan 8.310 nan 0.000 0.470 1091 S N 2.934 118.623 115.700 -0.019 0.000 2.441 1091 S HA 0.055 4.522 4.470 -0.006 0.000 0.242 1091 S C 1.770 176.308 174.600 -0.103 0.000 1.018 1091 S CA 1.465 59.641 58.200 -0.040 0.000 0.988 1091 S CB -1.041 62.134 63.200 -0.042 0.000 0.778 1091 S HN 1.605 nan 8.310 nan 0.000 0.498 1092 A N -0.467 122.236 122.820 -0.195 0.000 2.275 1092 A HA 0.398 4.714 4.320 -0.006 0.000 0.212 1092 A C 0.445 177.449 177.584 -0.967 0.000 1.201 1092 A CA -0.151 51.569 52.037 -0.529 0.000 0.843 1092 A CB -0.244 18.328 19.000 -0.714 0.000 0.873 1092 A HN 0.579 nan 8.150 nan 0.000 0.492 1093 Y N 1.007 121.017 120.300 -0.484 0.000 2.722 1093 Y HA 0.253 4.799 4.550 -0.006 0.000 0.314 1093 Y C 0.805 176.589 175.900 -0.195 0.000 1.008 1093 Y CA -0.532 57.301 58.100 -0.444 0.000 1.294 1093 Y CB -0.092 38.197 38.460 -0.285 0.000 1.231 1093 Y HN 0.213 nan 8.280 nan 0.000 0.558 1094 T N -3.451 111.060 114.554 -0.072 0.000 2.928 1094 T HA 0.133 4.479 4.350 -0.006 0.000 0.284 1094 T C 1.093 175.810 174.700 0.028 0.000 1.008 1094 T CA -0.806 61.299 62.100 0.008 0.000 1.057 1094 T CB 1.567 70.436 68.868 0.001 0.000 1.018 1094 T HN 0.132 nan 8.240 nan 0.000 0.493 1095 Q N 0.580 120.434 119.800 0.091 0.000 2.404 1095 Q HA -0.201 4.135 4.340 -0.006 0.000 0.214 1095 Q C 1.887 177.960 176.000 0.122 0.000 0.992 1095 Q CA 1.756 57.651 55.803 0.153 0.000 0.899 1095 Q CB -0.176 28.649 28.738 0.145 0.000 0.921 1095 Q HN 0.806 nan 8.270 nan 0.000 0.453 1096 Q N -0.809 119.024 119.800 0.055 0.000 2.063 1096 Q HA 0.082 4.418 4.340 -0.006 0.000 0.194 1096 Q C 2.177 178.177 176.000 -0.001 0.000 0.974 1096 Q CA 0.747 56.571 55.803 0.034 0.000 0.827 1096 Q CB -0.184 28.566 28.738 0.021 0.000 0.902 1096 Q HN 0.343 nan 8.270 nan 0.000 0.462 1097 A N 1.326 124.124 122.820 -0.036 0.000 1.927 1097 A HA -0.246 4.070 4.320 -0.006 0.000 0.220 1097 A C 2.130 179.685 177.584 -0.047 0.000 1.185 1097 A CA 1.804 53.807 52.037 -0.057 0.000 0.639 1097 A CB -0.628 18.263 19.000 -0.182 0.000 0.820 1097 A HN 0.298 nan 8.150 nan 0.000 0.451 1098 M N -0.824 118.700 119.600 -0.127 0.000 2.077 1098 M HA -0.112 4.364 4.480 -0.006 0.000 0.261 1098 M C 2.439 178.594 176.300 -0.241 0.000 1.070 1098 M CA 1.491 56.672 55.300 -0.198 0.000 1.125 1098 M CB -0.412 32.095 32.600 -0.154 0.000 1.339 1098 M HN 0.433 nan 8.290 nan 0.000 0.409 1099 A N 0.092 122.786 122.820 -0.210 0.000 2.225 1099 A HA 0.087 4.403 4.320 -0.006 0.000 0.215 1099 A C 2.165 179.681 177.584 -0.112 0.000 1.164 1099 A CA 1.577 53.487 52.037 -0.212 0.000 0.710 1099 A CB -0.701 18.326 19.000 0.045 0.000 0.780 1099 A HN 0.520 nan 8.150 nan 0.000 0.473 1100 A N -0.269 122.503 122.820 -0.081 0.000 1.862 1100 A HA 0.398 4.714 4.320 -0.006 0.000 0.211 1100 A C 2.432 179.950 177.584 -0.110 0.000 1.220 1100 A CA 1.246 53.248 52.037 -0.057 0.000 0.616 1100 A CB -1.064 17.927 19.000 -0.015 0.000 0.878 1100 A HN 0.983 nan 8.150 nan 0.000 0.453 1101 A N -0.630 122.096 122.820 -0.156 0.000 2.024 1101 A HA -0.130 4.186 4.320 -0.006 0.000 0.220 1101 A C 2.129 179.466 177.584 -0.411 0.000 1.164 1101 A CA 1.891 53.691 52.037 -0.394 0.000 0.643 1101 A CB -0.574 18.039 19.000 -0.645 0.000 0.806 1101 A HN 0.429 nan 8.150 nan 0.000 0.451 1102 M N -0.569 118.909 119.600 -0.203 0.000 2.082 1102 M HA -0.246 4.230 4.480 -0.006 0.000 0.258 1102 M C 2.236 178.484 176.300 -0.088 0.000 1.071 1102 M CA 2.008 57.261 55.300 -0.077 0.000 1.103 1102 M CB -1.588 30.926 32.600 -0.142 0.000 1.307 1102 M HN 0.553 nan 8.290 nan 0.000 0.409 1103 Q N -0.656 119.096 119.800 -0.080 0.000 2.172 1103 Q HA 0.023 4.360 4.340 -0.006 0.000 0.200 1103 Q C 2.196 178.180 176.000 -0.027 0.000 0.964 1103 Q CA 1.228 57.011 55.803 -0.033 0.000 0.855 1103 Q CB -0.265 28.459 28.738 -0.023 0.000 0.918 1103 Q HN 0.583 nan 8.270 nan 0.000 0.444 1104 A N 0.961 123.742 122.820 -0.066 0.000 1.892 1104 A HA -0.230 4.087 4.320 -0.006 0.000 0.218 1104 A C 1.300 178.954 177.584 0.118 0.000 1.188 1104 A CA 1.661 53.701 52.037 0.004 0.000 0.631 1104 A CB -0.748 18.226 19.000 -0.043 0.000 0.822 1104 A HN 0.509 nan 8.150 nan 0.000 0.447 1105 H N -2.308 116.587 119.070 -0.291 0.000 2.549 1105 H HA 0.215 4.767 4.556 -0.006 0.000 0.279 1105 H C -0.076 175.168 175.328 -0.140 0.000 1.018 1105 H CA -0.415 55.420 56.048 -0.355 0.000 1.175 1105 H CB 0.341 29.559 29.762 -0.907 0.000 1.485 1105 H HN 0.286 nan 8.280 nan 0.000 0.543 1106 R N 0.036 120.578 120.500 0.070 0.000 3.627 1106 R HA -0.256 4.080 4.340 -0.006 0.000 0.281 1106 R C 0.011 176.531 176.300 0.366 0.000 1.140 1106 R CA 0.440 56.645 56.100 0.176 0.000 0.761 1106 R CB -2.638 27.776 30.300 0.191 0.000 1.181 1106 R HN 0.652 nan 8.270 nan 0.000 0.472 1107 Y N 0.892 121.383 120.300 0.318 0.000 2.315 1107 Y HA -0.279 4.267 4.550 -0.006 0.000 0.288 1107 Y C 2.518 178.570 175.900 0.253 0.000 1.154 1107 Y CA 0.921 59.234 58.100 0.356 0.000 1.229 1107 Y CB -0.117 38.665 38.460 0.536 0.000 0.980 1107 Y HN 0.377 nan 8.280 nan 0.000 0.540 1108 D N 0.832 121.323 120.400 0.151 0.000 2.191 1108 D HA -0.287 4.349 4.640 -0.006 0.000 0.195 1108 D C 2.015 178.350 176.300 0.058 0.000 1.003 1108 D CA 1.369 55.245 54.000 -0.206 0.000 0.867 1108 D CB -0.818 39.885 40.800 -0.162 0.000 0.926 1108 D HN 0.420 nan 8.370 nan 0.000 0.450 1109 L N 0.194 121.495 121.223 0.130 0.000 2.017 1109 L HA -0.236 4.100 4.340 -0.006 0.000 0.208 1109 L C 2.992 179.833 176.870 -0.049 0.000 1.073 1109 L CA 1.621 56.520 54.840 0.099 0.000 0.745 1109 L CB -0.447 41.746 42.059 0.222 0.000 0.894 1109 L HN 0.122 nan 8.230 nan 0.000 0.432 1110 Q N -1.105 118.498 119.800 -0.328 0.000 2.133 1110 Q HA -0.283 4.053 4.340 -0.006 0.000 0.208 1110 Q C 2.005 177.761 176.000 -0.407 0.000 0.991 1110 Q CA 2.448 57.768 55.803 -0.804 0.000 0.867 1110 Q CB -0.223 27.941 28.738 -0.956 0.000 0.911 1110 Q HN 0.473 nan 8.270 nan 0.000 0.417 1111 Y N 0.458 120.616 120.300 -0.237 0.000 2.044 1111 Y HA -0.319 4.227 4.550 -0.006 0.000 0.264 1111 Y C 2.519 178.422 175.900 0.005 0.000 1.111 1111 Y CA 1.872 59.938 58.100 -0.056 0.000 1.088 1111 Y CB -1.036 37.398 38.460 -0.043 0.000 0.981 1111 Y HN 0.191 nan 8.280 nan 0.000 0.478 1112 Q N 0.037 119.962 119.800 0.209 0.000 2.118 1112 Q HA -0.238 4.099 4.340 -0.006 0.000 0.211 1112 Q C 2.307 178.346 176.000 0.064 0.000 0.998 1112 Q CA 2.370 58.241 55.803 0.114 0.000 0.872 1112 Q CB -0.709 28.070 28.738 0.070 0.000 0.925 1112 Q HN 0.474 nan 8.270 nan 0.000 0.414 1113 L N -0.901 120.346 121.223 0.040 0.000 1.948 1113 L HA -0.225 4.111 4.340 -0.006 0.000 0.212 1113 L C 2.275 179.178 176.870 0.053 0.000 1.074 1113 L CA 1.646 56.514 54.840 0.046 0.000 0.753 1113 L CB -0.842 41.261 42.059 0.072 0.000 0.888 1113 L HN 0.360 nan 8.230 nan 0.000 0.432 1114 Y N 0.567 120.807 120.300 -0.101 0.000 2.029 1114 Y HA -0.412 4.134 4.550 -0.006 0.000 0.269 1114 Y C 3.141 178.874 175.900 -0.279 0.000 1.201 1114 Y CA 1.615 59.576 58.100 -0.233 0.000 1.115 1114 Y CB -0.840 37.587 38.460 -0.056 0.000 0.945 1114 Y HN 0.470 nan 8.280 nan 0.000 0.497 1115 T N -0.905 113.687 114.554 0.062 0.000 2.720 1115 T HA -0.251 4.095 4.350 -0.006 0.000 0.268 1115 T C 1.831 176.476 174.700 -0.092 0.000 1.037 1115 T CA 1.329 63.403 62.100 -0.044 0.000 1.144 1115 T CB -0.857 68.083 68.868 0.121 0.000 0.864 1115 T HN 0.432 nan 8.240 nan 0.000 0.444 1116 L N 0.521 121.712 121.223 -0.053 0.000 2.187 1116 L HA -0.041 4.295 4.340 -0.006 0.000 0.213 1116 L C 2.903 179.724 176.870 -0.081 0.000 1.100 1116 L CA 1.597 56.411 54.840 -0.043 0.000 0.765 1116 L CB -0.825 41.210 42.059 -0.039 0.000 0.904 1116 L HN 0.506 nan 8.230 nan 0.000 0.437 1117 A N -0.390 122.262 122.820 -0.281 0.000 1.855 1117 A HA -0.154 4.162 4.320 -0.006 0.000 0.213 1117 A C 2.161 179.576 177.584 -0.281 0.000 1.195 1117 A CA 0.885 52.652 52.037 -0.451 0.000 0.610 1117 A CB -0.709 17.526 19.000 -1.275 0.000 0.837 1117 A HN 0.400 nan 8.150 nan 0.000 0.444 1118 L N -0.777 120.270 121.223 -0.293 0.000 2.127 1118 L HA -0.239 4.097 4.340 -0.006 0.000 0.211 1118 L C 2.542 179.317 176.870 -0.158 0.000 1.089 1118 L CA 2.398 57.115 54.840 -0.204 0.000 0.757 1118 L CB -0.593 41.308 42.059 -0.264 0.000 0.899 1118 L HN 0.724 nan 8.230 nan 0.000 0.434 1119 H N 0.201 119.148 119.070 -0.205 0.000 2.253 1119 H HA -0.167 4.385 4.556 -0.006 0.000 0.296 1119 H C 2.362 177.620 175.328 -0.116 0.000 1.067 1119 H CA 1.900 57.899 56.048 -0.082 0.000 1.245 1119 H CB 0.035 29.824 29.762 0.045 0.000 1.364 1119 H HN 0.031 nan 8.280 nan 0.000 0.494 1120 R N -0.532 119.955 120.500 -0.022 0.000 2.119 1120 R HA -0.226 4.111 4.340 -0.006 0.000 0.246 1120 R C 2.350 178.591 176.300 -0.099 0.000 1.146 1120 R CA 1.794 57.861 56.100 -0.056 0.000 0.962 1120 R CB -1.189 29.116 30.300 0.008 0.000 0.863 1120 R HN 0.484 nan 8.270 nan 0.000 0.442 1121 Y N 1.528 121.694 120.300 -0.225 0.000 2.109 1121 Y HA -0.120 4.427 4.550 -0.006 0.000 0.285 1121 Y C 2.306 178.038 175.900 -0.280 0.000 1.131 1121 Y CA 1.325 59.303 58.100 -0.203 0.000 1.121 1121 Y CB -0.593 37.739 38.460 -0.213 0.000 0.987 1121 Y HN -0.102 nan 8.280 nan 0.000 0.495 1122 L N 0.035 120.922 121.223 -0.560 0.000 2.012 1122 L HA -0.273 4.064 4.340 -0.006 0.000 0.210 1122 L C 2.733 178.997 176.870 -1.010 0.000 1.073 1122 L CA 1.988 56.329 54.840 -0.831 0.000 0.748 1122 L CB -0.683 40.917 42.059 -0.764 0.000 0.891 1122 L HN 0.179 nan 8.230 nan 0.000 0.431 1123 R N -0.718 119.100 120.500 -1.137 0.000 2.091 1123 R HA -0.250 4.086 4.340 -0.006 0.000 0.238 1123 R C 2.437 178.539 176.300 -0.330 0.000 1.136 1123 R CA 1.896 57.557 56.100 -0.732 0.000 0.959 1123 R CB -0.279 29.788 30.300 -0.390 0.000 0.856 1123 R HN 0.372 nan 8.270 nan 0.000 0.437 1124 H N 0.108 118.951 119.070 -0.379 0.000 2.270 1124 H HA -0.040 4.512 4.556 -0.006 0.000 0.299 1124 H C 2.019 177.166 175.328 -0.302 0.000 1.077 1124 H CA 1.907 57.799 56.048 -0.260 0.000 1.294 1124 H CB 0.139 29.779 29.762 -0.203 0.000 1.371 1124 H HN 0.003 nan 8.280 nan 0.000 0.491 1125 R N 0.277 120.471 120.500 -0.511 0.000 2.070 1125 R HA -0.022 4.314 4.340 -0.006 0.000 0.227 1125 R C 0.708 176.783 176.300 -0.375 0.000 1.147 1125 R CA 0.615 56.406 56.100 -0.515 0.000 0.924 1125 R CB -1.021 28.871 30.300 -0.680 0.000 0.827 1125 R HN 0.263 nan 8.270 nan 0.000 0.431 1126 I N 2.558 122.907 120.570 -0.368 0.000 2.725 1126 I HA -0.061 4.106 4.170 -0.006 0.000 0.296 1126 I C 0.229 176.256 176.117 -0.150 0.000 1.155 1126 I CA -0.034 61.126 61.300 -0.232 0.000 1.450 1126 I CB -0.598 37.252 38.000 -0.251 0.000 1.478 1126 I HN 0.125 nan 8.210 nan 0.000 0.642 1127 A N 5.438 128.182 122.820 -0.127 0.000 2.512 1127 A HA 0.156 4.473 4.320 -0.006 0.000 0.278 1127 A C 0.655 178.233 177.584 -0.008 0.000 1.128 1127 A CA 0.256 52.245 52.037 -0.079 0.000 0.818 1127 A CB -0.754 18.199 19.000 -0.078 0.000 1.044 1127 A HN 0.815 nan 8.150 nan 0.000 0.526 1128 D N -0.009 120.415 120.400 0.039 0.000 3.667 1128 D HA -0.153 4.483 4.640 -0.006 0.000 0.252 1128 D C -0.731 175.677 176.300 0.180 0.000 1.035 1128 D CA 1.387 55.443 54.000 0.093 0.000 1.062 1128 D CB -1.589 39.244 40.800 0.055 0.000 0.948 1128 D HN 1.004 nan 8.370 nan 0.000 0.418 1129 Y N 1.075 121.403 120.300 0.046 0.000 2.562 1129 Y HA 0.751 5.297 4.550 -0.006 0.000 0.343 1129 Y C -1.197 174.867 175.900 0.275 0.000 1.025 1129 Y CA -1.295 56.903 58.100 0.163 0.000 1.082 1129 Y CB 1.823 40.234 38.460 -0.083 0.000 1.264 1129 Y HN 0.092 nan 8.280 nan 0.000 0.478 1130 D N 2.177 122.388 120.400 -0.316 0.000 2.619 1130 D HA 0.093 4.729 4.640 -0.006 0.000 0.241 1130 D C -0.090 175.845 176.300 -0.609 0.000 1.087 1130 D CA -0.436 53.295 54.000 -0.448 0.000 0.851 1130 D CB 1.755 42.546 40.800 -0.014 0.000 1.474 1130 D HN 0.740 nan 8.370 nan 0.000 0.478 1131 Y N 3.053 123.083 120.300 -0.450 0.000 2.006 1131 Y HA -0.216 4.330 4.550 -0.006 0.000 0.266 1131 Y C 1.940 177.854 175.900 0.022 0.000 1.133 1131 Y CA 2.217 60.277 58.100 -0.066 0.000 1.098 1131 Y CB 0.027 38.552 38.460 0.109 0.000 0.969 1131 Y HN 0.556 nan 8.280 nan 0.000 0.482 1132 E N -1.389 118.848 120.200 0.061 0.000 2.516 1132 E HA -0.163 4.183 4.350 -0.006 0.000 0.199 1132 E C 1.141 177.561 176.600 -0.301 0.000 1.069 1132 E CA 0.394 56.719 56.400 -0.125 0.000 0.876 1132 E CB -0.077 29.580 29.700 -0.072 0.000 0.843 1132 E HN 0.569 nan 8.360 nan 0.000 0.530 1133 H N -1.974 116.960 119.070 -0.226 0.000 2.750 1133 H HA 0.129 4.682 4.556 -0.006 0.000 0.263 1133 H C 0.986 176.016 175.328 -0.497 0.000 0.964 1133 H CA 0.591 56.412 56.048 -0.379 0.000 1.205 1133 H CB 0.731 30.188 29.762 -0.509 0.000 1.454 1133 H HN 0.276 nan 8.280 nan 0.000 0.503 1134 H N -1.882 117.196 119.070 0.013 0.000 3.255 1134 H HA 0.084 4.636 4.556 -0.006 0.000 0.256 1134 H C 1.188 176.542 175.328 0.044 0.000 1.049 1134 H CA -0.229 55.834 56.048 0.026 0.000 1.202 1134 H CB 0.909 30.829 29.762 0.263 0.000 1.497 1134 H HN 0.201 nan 8.280 nan 0.000 0.503 1135 F N 1.198 121.043 119.950 -0.175 0.000 2.435 1135 F HA 0.364 4.888 4.527 -0.006 0.000 0.233 1135 F C 0.859 176.366 175.800 -0.488 0.000 1.206 1135 F CA 0.480 58.273 58.000 -0.344 0.000 0.972 1135 F CB 0.256 38.848 39.000 -0.679 0.000 1.024 1135 F HN 0.226 nan 8.300 nan 0.000 0.623 1136 G N 1.572 109.782 108.800 -0.983 0.000 2.392 1136 G HA2 0.048 4.004 3.960 -0.006 0.000 0.290 1136 G HA3 0.048 4.004 3.960 -0.006 0.000 0.290 1136 G C -0.314 173.815 174.900 -1.284 0.000 1.032 1136 G CA 0.219 44.751 45.100 -0.948 0.000 1.269 1136 G HN 1.028 nan 8.290 nan 0.000 0.511 1137 G N -1.875 105.934 108.800 -1.653 0.000 3.214 1137 G HA2 0.846 4.802 3.960 -0.006 0.000 0.188 1137 G HA3 0.846 4.802 3.960 -0.006 0.000 0.188 1137 G C 0.068 174.815 174.900 -0.256 0.000 1.126 1137 G CA 0.388 44.985 45.100 -0.839 0.000 0.796 1137 G HN 1.760 nan 8.290 nan 0.000 0.631 1138 V N 0.582 120.571 119.914 0.125 0.000 3.434 1138 V HA -0.105 4.011 4.120 -0.006 0.000 0.459 1138 V C -1.155 175.060 176.094 0.202 0.000 0.681 1138 V CA -0.226 62.193 62.300 0.198 0.000 1.967 1138 V CB -1.512 30.427 31.823 0.193 0.000 2.417 1138 V HN 0.664 nan 8.190 nan 0.000 0.495 1139 I N 5.533 126.257 120.570 0.257 0.000 2.466 1139 I HA 0.508 4.675 4.170 -0.006 0.000 0.289 1139 I C -0.308 176.008 176.117 0.333 0.000 1.026 1139 I CA -0.626 60.823 61.300 0.248 0.000 1.078 1139 I CB 2.053 40.161 38.000 0.181 0.000 1.249 1139 I HN 0.551 nan 8.210 nan 0.000 0.429 1140 Y N 5.790 126.139 120.300 0.083 0.000 2.328 1140 Y HA 0.467 5.013 4.550 -0.006 0.000 0.333 1140 Y C -0.121 175.776 175.900 -0.005 0.000 0.958 1140 Y CA -0.814 57.281 58.100 -0.009 0.000 1.167 1140 Y CB 2.051 40.601 38.460 0.151 0.000 1.151 1140 Y HN 0.334 nan 8.280 nan 0.000 0.470 1141 L N 5.858 126.980 121.223 -0.169 0.000 2.272 1141 L HA 0.292 4.628 4.340 -0.006 0.000 0.284 1141 L C -0.910 175.897 176.870 -0.106 0.000 1.045 1141 L CA -0.423 54.348 54.840 -0.115 0.000 0.842 1141 L CB 0.361 42.239 42.059 -0.301 0.000 1.224 1141 L HN 0.663 nan 8.230 nan 0.000 0.430 1142 F N 4.216 124.291 119.950 0.208 0.000 2.652 1142 F HA 0.147 4.670 4.527 -0.006 0.000 0.352 1142 F C 1.532 177.508 175.800 0.293 0.000 1.259 1142 F CA -0.265 57.939 58.000 0.340 0.000 1.249 1142 F CB -0.010 39.312 39.000 0.537 0.000 1.628 1142 F HN 0.470 nan 8.300 nan 0.000 0.654 1143 L N 0.383 121.763 121.223 0.261 0.000 2.272 1143 L HA -0.373 3.963 4.340 -0.006 0.000 0.233 1143 L C 1.686 178.838 176.870 0.470 0.000 1.125 1143 L CA 1.662 56.626 54.840 0.206 0.000 0.851 1143 L CB -0.691 41.407 42.059 0.065 0.000 0.933 1143 L HN 0.439 nan 8.230 nan 0.000 0.452 1144 R N -0.299 120.495 120.500 0.491 0.000 2.726 1144 R HA 0.292 4.628 4.340 -0.006 0.000 0.272 1144 R C 1.076 177.031 176.300 -0.574 0.000 1.097 1144 R CA 0.226 56.344 56.100 0.029 0.000 1.198 1144 R CB -0.303 30.023 30.300 0.043 0.000 1.114 1144 R HN 0.284 nan 8.270 nan 0.000 0.550 1145 G N -0.324 107.886 108.800 -0.983 0.000 2.305 1145 G HA2 -0.240 3.716 3.960 -0.006 0.000 0.287 1145 G HA3 -0.240 3.716 3.960 -0.006 0.000 0.287 1145 G C -0.381 174.351 174.900 -0.280 0.000 1.036 1145 G CA 0.238 44.860 45.100 -0.797 0.000 0.887 1145 G HN 0.320 nan 8.290 nan 0.000 0.505 1146 V N 0.903 120.732 119.914 -0.143 0.000 2.380 1146 V HA 0.386 4.503 4.120 -0.006 0.000 0.286 1146 V C -0.266 175.834 176.094 0.009 0.000 1.015 1146 V CA -0.991 61.314 62.300 0.008 0.000 0.834 1146 V CB 1.607 33.493 31.823 0.105 0.000 1.009 1146 V HN 0.336 nan 8.190 nan 0.000 0.428 1147 D N 2.849 123.243 120.400 -0.011 0.000 2.385 1147 D HA 0.361 4.998 4.640 -0.006 0.000 0.254 1147 D C 0.565 176.939 176.300 0.124 0.000 1.053 1147 D CA -0.606 53.405 54.000 0.018 0.000 0.992 1147 D CB 2.166 42.887 40.800 -0.133 0.000 1.145 1147 D HN 0.274 nan 8.370 nan 0.000 0.523 1148 K N 0.159 120.638 120.400 0.132 0.000 2.211 1148 K HA -0.022 4.294 4.320 -0.006 0.000 0.203 1148 K C 0.343 177.010 176.600 0.112 0.000 1.050 1148 K CA 1.057 57.406 56.287 0.104 0.000 0.945 1148 K CB 0.269 32.816 32.500 0.078 0.000 0.732 1148 K HN 0.222 nan 8.250 nan 0.000 0.451 1149 E N 0.427 120.749 120.200 0.203 0.000 4.139 1149 E HA 0.143 4.490 4.350 -0.006 0.000 0.227 1149 E C -1.004 175.496 176.600 -0.167 0.000 1.187 1149 E CA -0.099 56.320 56.400 0.032 0.000 1.324 1149 E CB 0.610 30.267 29.700 -0.072 0.000 1.207 1149 E HN 0.260 nan 8.360 nan 0.000 0.422 1150 H N -0.476 118.604 119.070 0.016 0.000 3.229 1150 H HA 0.155 4.707 4.556 -0.006 0.000 0.211 1150 H C -2.423 172.921 175.328 0.027 0.000 1.364 1150 H CA -1.111 54.949 56.048 0.020 0.000 1.270 1150 H CB 0.235 30.010 29.762 0.021 0.000 2.309 1150 H HN 0.162 nan 8.280 nan 0.000 0.520 1151 P HA -0.087 nan 4.420 nan 0.000 0.271 1151 P C 0.135 177.486 177.300 0.086 0.000 1.228 1151 P CA 0.458 63.604 63.100 0.077 0.000 0.797 1151 P CB 1.055 32.779 31.700 0.041 0.000 0.914 1152 Q N -3.548 116.301 119.800 0.083 0.000 2.305 1152 Q HA -0.260 4.076 4.340 -0.006 0.000 0.203 1152 Q C 0.336 176.413 176.000 0.128 0.000 0.663 1152 Q CA 1.405 57.266 55.803 0.097 0.000 1.389 1152 Q CB -1.392 27.391 28.738 0.076 0.000 1.566 1152 Q HN 0.618 nan 8.270 nan 0.000 0.755 1153 Q N -0.898 118.979 119.800 0.128 0.000 2.325 1153 Q HA 0.407 4.743 4.340 -0.006 0.000 0.262 1153 Q C 0.899 176.989 176.000 0.149 0.000 0.968 1153 Q CA 0.702 56.586 55.803 0.136 0.000 0.877 1153 Q CB 1.206 30.016 28.738 0.120 0.000 1.253 1153 Q HN 0.357 nan 8.270 nan 0.000 0.448 1154 G N 3.801 112.729 108.800 0.213 0.000 2.308 1154 G HA2 -0.266 3.690 3.960 -0.006 0.000 0.221 1154 G HA3 -0.266 3.690 3.960 -0.006 0.000 0.221 1154 G C 0.076 175.194 174.900 0.364 0.000 1.032 1154 G CA 0.141 45.410 45.100 0.282 0.000 0.623 1154 G HN 0.720 nan 8.290 nan 0.000 0.506 1155 I N -1.079 119.660 120.570 0.281 0.000 2.498 1155 I HA 0.865 5.032 4.170 -0.006 0.000 0.301 1155 I C -0.638 175.718 176.117 0.400 0.000 0.984 1155 I CA -1.500 59.976 61.300 0.292 0.000 1.204 1155 I CB 1.751 39.843 38.000 0.153 0.000 1.362 1155 I HN 0.175 nan 8.210 nan 0.000 0.471 1156 Y N 4.026 124.496 120.300 0.283 0.000 2.492 1156 Y HA 0.608 5.154 4.550 -0.006 0.000 0.346 1156 Y C -1.208 174.831 175.900 0.233 0.000 0.997 1156 Y CA -0.338 57.928 58.100 0.277 0.000 1.025 1156 Y CB 2.293 40.997 38.460 0.406 0.000 1.263 1156 Y HN 0.732 nan 8.280 nan 0.000 0.454 1157 T N 3.712 118.090 114.554 -0.293 0.000 2.912 1157 T HA 0.687 5.033 4.350 -0.006 0.000 0.299 1157 T C -1.203 173.325 174.700 -0.286 0.000 1.052 1157 T CA -0.709 61.300 62.100 -0.152 0.000 0.996 1157 T CB 1.853 70.689 68.868 -0.053 0.000 1.070 1157 T HN 0.605 nan 8.240 nan 0.000 0.465 1158 T N 1.767 116.281 114.554 -0.066 0.000 2.868 1158 T HA 0.687 5.033 4.350 -0.006 0.000 0.306 1158 T C -1.248 173.455 174.700 0.005 0.000 1.224 1158 T CA -0.887 61.197 62.100 -0.026 0.000 1.012 1158 T CB 2.051 70.977 68.868 0.096 0.000 1.221 1158 T HN 0.454 nan 8.240 nan 0.000 0.499 1159 R N 2.397 122.895 120.500 -0.005 0.000 2.472 1159 R HA 0.515 4.851 4.340 -0.006 0.000 0.294 1159 R C -2.996 173.370 176.300 0.111 0.000 1.243 1159 R CA -1.828 54.246 56.100 -0.044 0.000 1.023 1159 R CB 0.185 30.409 30.300 -0.128 0.000 1.157 1159 R HN 0.306 nan 8.270 nan 0.000 0.530 1160 P HA -0.021 nan 4.420 nan 0.000 0.263 1160 P C -0.255 177.200 177.300 0.258 0.000 1.162 1160 P CA 0.318 63.597 63.100 0.298 0.000 0.758 1160 P CB 0.617 32.581 31.700 0.439 0.000 0.773 1161 N N 3.378 122.191 118.700 0.188 0.000 2.493 1161 N HA -0.175 4.562 4.740 -0.006 0.000 0.191 1161 N C 1.427 176.986 175.510 0.082 0.000 1.041 1161 N CA 1.262 54.432 53.050 0.200 0.000 0.904 1161 N CB -0.355 38.413 38.487 0.468 0.000 0.948 1161 N HN 0.545 nan 8.380 nan 0.000 0.446 1162 A N -1.686 121.025 122.820 -0.182 0.000 3.870 1162 A HA -0.257 4.059 4.320 -0.006 0.000 0.246 1162 A C 1.914 179.280 177.584 -0.365 0.000 0.669 1162 A CA 1.904 53.529 52.037 -0.687 0.000 1.221 1162 A CB -2.185 16.581 19.000 -0.389 0.000 1.199 1162 A HN 0.487 nan 8.150 nan 0.000 0.685 1163 G N -1.337 107.442 108.800 -0.034 0.000 2.683 1163 G HA2 0.301 4.257 3.960 -0.006 0.000 0.213 1163 G HA3 0.301 4.257 3.960 -0.006 0.000 0.213 1163 G C 1.357 176.102 174.900 -0.258 0.000 1.142 1163 G CA 1.019 46.174 45.100 0.091 0.000 0.793 1163 G HN 0.878 nan 8.290 nan 0.000 0.534 1164 L N 0.428 121.377 121.223 -0.457 0.000 2.049 1164 L HA 0.065 4.401 4.340 -0.006 0.000 0.203 1164 L C 2.577 179.191 176.870 -0.427 0.000 1.074 1164 L CA 0.675 55.038 54.840 -0.796 0.000 0.749 1164 L CB -0.138 41.635 42.059 -0.477 0.000 0.907 1164 L HN 0.014 nan 8.230 nan 0.000 0.439 1165 I N 0.704 121.070 120.570 -0.341 0.000 2.315 1165 I HA -0.283 3.883 4.170 -0.006 0.000 0.251 1165 I C 2.835 178.753 176.117 -0.331 0.000 1.125 1165 I CA 1.472 62.569 61.300 -0.339 0.000 1.392 1165 I CB -1.860 35.845 38.000 -0.492 0.000 1.065 1165 I HN 0.323 nan 8.210 nan 0.000 0.424 1166 A N 1.443 124.073 122.820 -0.316 0.000 1.845 1166 A HA -0.155 4.161 4.320 -0.006 0.000 0.215 1166 A C 2.378 179.881 177.584 -0.135 0.000 1.195 1166 A CA 1.443 53.365 52.037 -0.192 0.000 0.616 1166 A CB -0.907 18.008 19.000 -0.141 0.000 0.832 1166 A HN 0.413 nan 8.150 nan 0.000 0.443 1167 L N -1.393 119.723 121.223 -0.178 0.000 2.141 1167 L HA -0.110 4.226 4.340 -0.006 0.000 0.209 1167 L C 2.791 179.597 176.870 -0.107 0.000 1.094 1167 L CA 1.545 56.303 54.840 -0.137 0.000 0.763 1167 L CB -0.530 41.415 42.059 -0.191 0.000 0.908 1167 L HN 0.541 nan 8.230 nan 0.000 0.437 1168 M N 0.222 119.737 119.600 -0.142 0.000 2.175 1168 M HA -0.220 4.256 4.480 -0.006 0.000 0.264 1168 M C 1.928 178.228 176.300 0.000 0.000 1.063 1168 M CA 1.851 57.106 55.300 -0.076 0.000 1.119 1168 M CB -0.107 32.431 32.600 -0.104 0.000 1.377 1168 M HN 0.194 nan 8.290 nan 0.000 0.415 1169 D N 0.559 120.953 120.400 -0.009 0.000 2.078 1169 D HA -0.249 4.387 4.640 -0.006 0.000 0.193 1169 D C 1.680 178.069 176.300 0.147 0.000 0.990 1169 D CA 2.121 56.175 54.000 0.091 0.000 0.827 1169 D CB -0.327 40.524 40.800 0.084 0.000 0.975 1169 D HN 0.692 nan 8.370 nan 0.000 0.451 1170 E N -0.240 119.995 120.200 0.059 0.000 2.409 1170 E HA -0.182 4.165 4.350 -0.006 0.000 0.198 1170 E C 2.075 178.667 176.600 -0.014 0.000 1.024 1170 E CA 0.549 56.954 56.400 0.009 0.000 0.861 1170 E CB -0.569 29.124 29.700 -0.012 0.000 0.788 1170 E HN 0.298 nan 8.360 nan 0.000 0.521 1171 M N 1.603 121.220 119.600 0.029 0.000 2.213 1171 M HA -0.110 4.366 4.480 -0.006 0.000 0.263 1171 M C 1.789 178.136 176.300 0.079 0.000 1.062 1171 M CA 1.308 56.630 55.300 0.037 0.000 1.105 1171 M CB -0.550 32.077 32.600 0.045 0.000 1.385 1171 M HN 0.284 nan 8.290 nan 0.000 0.417 1172 F N 1.119 121.080 119.950 0.018 0.000 2.000 1172 F HA 0.073 4.596 4.527 -0.006 0.000 0.295 1172 F C 1.789 177.611 175.800 0.037 0.000 1.159 1172 F CA 2.002 60.020 58.000 0.029 0.000 1.171 1172 F CB -1.304 37.716 39.000 0.033 0.000 0.971 1172 F HN 0.131 nan 8.300 nan 0.000 0.479 1173 A N 0.246 122.264 122.820 -1.337 0.000 2.379 1173 A HA 0.529 4.845 4.320 -0.006 0.000 0.236 1173 A C 1.262 178.574 177.584 -0.453 0.000 1.272 1173 A CA 0.429 51.756 52.037 -1.184 0.000 0.886 1173 A CB -1.516 16.540 19.000 -1.573 0.000 0.962 1173 A HN 1.244 nan 8.150 nan 0.000 0.504 1174 G N 0.000 108.641 108.800 -0.266 0.000 5.446 1174 G HA2 0.000 3.956 3.960 -0.006 0.000 0.244 1174 G HA3 0.000 3.956 3.960 -0.006 0.000 0.244 1174 G CA 0.000 45.020 45.100 -0.134 0.000 0.502 1174 G HN 0.000 nan 8.290 nan 0.000 0.925