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 1pyy_1_A DATA FIRST_RESID 73 DATA SEQUENCE PAKRGTIYDR NGVPIAEDAT SYNVYAXXXX XXXXXXXXXX XXXXXXXNKV DATA SEQUENCE AEVFHKYLDM EESYVREQLX XXXXXXVSFG AKGNGITYAN MMXXXXXXXX DATA SEQUENCE XXXXXXXXXX SPNRSYPNGQ FASSFIGLAQ LHENEDGSKS LLGTSGMESS DATA SEQUENCE LNSILAGTDX XXXXXXXXXX XXXXXXXXXX XXXXDGKDVY TTISSPLQSF DATA SEQUENCE METQMDAFQE KVKGKYMTAT LVSAKTGEIL ATTQRPTFDA DTKEGITEDF DATA SEQUENCE VWRDILYQSN YEPGSAFKVM MLAAAIDNNT FPGGEVFNSS ELKIADATIR DATA SEQUENCE DWDVNEGLTG GRMMTFSQGF AHSSNVGMTL LEQKMGDATW LDYLNRFKFG DATA SEQUENCE VPTRFGLTDE YAGQLPADNI VNIAQSSFGQ GISVTQTQMI RAFTAIANDG DATA SEQUENCE VMLEPKFISA IYDPNDQTAR KSQKEIVGNP VSKDAASLTR TNMVLVGTDP DATA SEQUENCE VYGTMYNHST GKPTVTVPGQ NVALKSGTAQ IADEKNGGYL VGLTDYIFSA DATA SEQUENCE VSMSPAENPD FILYVTVQQP EHYSGIQLGE FANPILERAS AMKDSLNLQT DATA SEQUENCE TAKALEQVSQ QSPYPMPSVK DISPGDLAEE LRRNLVQPIV VGTGTKIKNS DATA SEQUENCE SAEEGKNLAP NQQVLILSDK AEEVPDMYGW TKETAETLAK WLNIELEFQG DATA SEQUENCE SGSTVQKQDV RANTAIKDIK KITLTLGD 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 73 P HA 0.000 nan 4.420 nan 0.000 0.216 73 P C 0.000 177.278 177.300 -0.037 0.000 1.155 73 P CA 0.000 63.089 63.100 -0.019 0.000 0.800 73 P CB 0.000 31.692 31.700 -0.013 0.000 0.726 74 A N 1.221 124.018 122.820 -0.038 0.000 2.322 74 A HA 0.518 4.790 4.320 -0.079 0.000 0.269 74 A C 0.326 177.872 177.584 -0.062 0.000 1.094 74 A CA -0.414 51.592 52.037 -0.051 0.000 0.807 74 A CB 0.436 19.412 19.000 -0.040 0.000 1.047 74 A HN 0.536 nan 8.150 nan 0.000 0.487 75 K N 1.638 121.990 120.400 -0.080 0.000 2.412 75 K HA 0.044 4.316 4.320 -0.079 0.000 0.284 75 K C 0.246 176.807 176.600 -0.064 0.000 1.046 75 K CA -0.123 56.112 56.287 -0.085 0.000 0.999 75 K CB 0.230 32.670 32.500 -0.100 0.000 0.941 75 K HN 0.705 nan 8.250 nan 0.000 0.474 76 R N 3.382 123.842 120.500 -0.066 0.000 2.449 76 R HA 0.037 4.329 4.340 -0.079 0.000 0.296 76 R C 0.144 176.400 176.300 -0.073 0.000 1.047 76 R CA 0.149 56.212 56.100 -0.062 0.000 1.018 76 R CB 0.321 30.583 30.300 -0.064 0.000 0.962 76 R HN 0.861 nan 8.270 nan 0.000 0.428 77 G N 2.782 111.549 108.800 -0.054 0.000 2.647 77 G HA2 -0.061 3.851 3.960 -0.079 0.000 0.234 77 G HA3 -0.061 3.851 3.960 -0.079 0.000 0.234 77 G C -0.472 174.351 174.900 -0.130 0.000 1.252 77 G CA -0.257 44.811 45.100 -0.054 0.000 0.846 77 G HN 0.606 nan 8.290 nan 0.000 0.589 78 T N 1.042 115.473 114.554 -0.204 0.000 2.889 78 T HA 0.367 4.669 4.350 -0.079 0.000 0.291 78 T C 0.520 174.911 174.700 -0.515 0.000 0.995 78 T CA 0.037 61.865 62.100 -0.452 0.000 1.092 78 T CB 0.949 69.344 68.868 -0.787 0.000 0.954 78 T HN 0.282 nan 8.240 nan 0.000 0.506 79 I N 3.515 123.807 120.570 -0.463 0.000 2.307 79 I HA 0.315 4.438 4.170 -0.079 0.000 0.289 79 I C -0.802 175.091 176.117 -0.373 0.000 1.021 79 I CA -0.613 60.516 61.300 -0.285 0.000 1.224 79 I CB 0.420 38.360 38.000 -0.100 0.000 1.376 79 I HN 0.559 nan 8.210 nan 0.000 0.470 80 Y N 4.253 124.412 120.300 -0.235 0.000 2.496 80 Y HA 0.259 4.761 4.550 -0.081 0.000 0.331 80 Y C 0.563 176.447 175.900 -0.028 0.000 1.140 80 Y CA -1.007 56.944 58.100 -0.248 0.000 1.166 80 Y CB 0.849 38.900 38.460 -0.681 0.000 1.249 80 Y HN 0.552 nan 8.280 nan 0.000 0.479 81 D N 1.147 121.701 120.400 0.258 0.000 2.393 81 D HA 0.021 4.613 4.640 -0.079 0.000 0.246 81 D C 1.114 177.591 176.300 0.295 0.000 1.275 81 D CA -0.435 53.736 54.000 0.285 0.000 0.979 81 D CB 0.597 41.570 40.800 0.289 0.000 1.101 81 D HN 0.757 nan 8.370 nan 0.000 0.505 82 R N 0.584 121.246 120.500 0.270 0.000 2.170 82 R HA -0.175 4.118 4.340 -0.079 0.000 0.242 82 R C 0.608 177.040 176.300 0.221 0.000 1.145 82 R CA 1.629 57.878 56.100 0.248 0.000 0.984 82 R CB -0.828 29.589 30.300 0.194 0.000 0.869 82 R HN 0.443 nan 8.270 nan 0.000 0.455 83 N N -0.337 118.476 118.700 0.190 0.000 2.238 83 N HA 0.173 4.865 4.740 -0.079 0.000 0.222 83 N C -0.063 175.514 175.510 0.112 0.000 1.133 83 N CA 0.236 53.362 53.050 0.127 0.000 0.854 83 N CB 1.489 40.031 38.487 0.091 0.000 1.041 83 N HN 0.497 nan 8.380 nan 0.000 0.510 84 G N 0.091 108.993 108.800 0.171 0.000 2.157 84 G HA2 -0.244 3.668 3.960 -0.079 0.000 0.239 84 G HA3 -0.244 3.668 3.960 -0.079 0.000 0.239 84 G C -0.052 174.841 174.900 -0.011 0.000 0.982 84 G CA -0.346 44.724 45.100 -0.050 0.000 0.650 84 G HN 0.149 nan 8.290 nan 0.000 0.527 85 V N 2.169 122.169 119.914 0.143 0.000 2.427 85 V HA 0.347 4.420 4.120 -0.079 0.000 0.268 85 V C -1.422 174.810 176.094 0.230 0.000 1.046 85 V CA -1.313 61.083 62.300 0.161 0.000 0.970 85 V CB 1.195 33.092 31.823 0.123 0.000 1.001 85 V HN 0.115 nan 8.190 nan 0.000 0.476 86 P HA 0.141 nan 4.420 nan 0.000 0.264 86 P C 0.450 177.682 177.300 -0.113 0.000 1.183 86 P CA 0.568 63.675 63.100 0.013 0.000 0.763 86 P CB 0.672 32.358 31.700 -0.024 0.000 0.807 87 I N 1.611 122.073 120.570 -0.179 0.000 3.673 87 I HA 0.241 4.363 4.170 -0.079 0.000 0.281 87 I C 0.564 176.593 176.117 -0.147 0.000 1.182 87 I CA 0.278 61.462 61.300 -0.195 0.000 1.391 87 I CB 0.338 38.314 38.000 -0.040 0.000 1.383 87 I HN 0.250 nan 8.210 nan 0.000 0.456 88 A N 2.243 124.930 122.820 -0.220 0.000 2.446 88 A HA 0.602 4.875 4.320 -0.079 0.000 0.282 88 A C -0.729 176.612 177.584 -0.405 0.000 1.102 88 A CA -0.409 51.395 52.037 -0.389 0.000 0.737 88 A CB 0.599 19.456 19.000 -0.238 0.000 1.212 88 A HN 0.297 nan 8.150 nan 0.000 0.434 89 E N 1.358 121.312 120.200 -0.410 0.000 2.392 89 E HA 0.525 4.827 4.350 -0.079 0.000 0.269 89 E C -1.283 175.161 176.600 -0.259 0.000 0.924 89 E CA -0.885 55.325 56.400 -0.317 0.000 0.784 89 E CB 1.545 31.085 29.700 -0.268 0.000 1.292 89 E HN 0.353 nan 8.360 nan 0.000 0.447 90 D N 0.406 120.694 120.400 -0.187 0.000 2.371 90 D HA 0.291 4.883 4.640 -0.079 0.000 0.256 90 D C -0.680 175.557 176.300 -0.106 0.000 1.193 90 D CA -0.022 53.896 54.000 -0.137 0.000 0.881 90 D CB 1.052 41.787 40.800 -0.109 0.000 1.143 90 D HN 0.559 nan 8.370 nan 0.000 0.473 91 A N 3.382 126.148 122.820 -0.089 0.000 3.041 91 A HA 0.271 4.544 4.320 -0.079 0.000 0.307 91 A C 0.407 177.973 177.584 -0.031 0.000 1.116 91 A CA -0.582 51.420 52.037 -0.058 0.000 1.001 91 A CB -0.492 18.473 19.000 -0.059 0.000 1.112 91 A HN 0.569 nan 8.150 nan 0.000 0.556 92 T N 0.313 114.850 114.554 -0.027 0.000 2.888 92 T HA 0.436 4.738 4.350 -0.079 0.000 0.301 92 T C 0.427 175.136 174.700 0.015 0.000 1.001 92 T CA 0.391 62.487 62.100 -0.006 0.000 1.147 92 T CB 0.631 69.494 68.868 -0.009 0.000 0.931 92 T HN 0.811 nan 8.240 nan 0.000 0.541 93 S N 0.324 116.031 115.700 0.012 0.000 2.648 93 S HA 0.762 5.184 4.470 -0.079 0.000 0.305 93 S C -0.573 174.027 174.600 0.000 0.000 1.094 93 S CA -1.037 57.166 58.200 0.005 0.000 0.983 93 S CB 0.934 64.126 63.200 -0.012 0.000 1.101 93 S HN 1.230 nan 8.310 nan 0.000 0.514 94 Y N -0.251 120.032 120.300 -0.028 0.000 2.376 94 Y HA 0.662 5.165 4.550 -0.079 0.000 0.340 94 Y C -0.422 175.400 175.900 -0.130 0.000 0.965 94 Y CA -1.650 56.416 58.100 -0.056 0.000 1.078 94 Y CB 0.640 39.070 38.460 -0.050 0.000 1.193 94 Y HN 0.959 nan 8.280 nan 0.000 0.452 95 N N 2.079 120.676 118.700 -0.172 0.000 2.422 95 N HA 0.479 5.171 4.740 -0.079 0.000 0.266 95 N C -1.025 174.179 175.510 -0.510 0.000 1.007 95 N CA -0.414 52.441 53.050 -0.325 0.000 0.941 95 N CB 2.668 40.965 38.487 -0.318 0.000 1.115 95 N HN 0.612 nan 8.380 nan 0.000 0.492 96 V N 4.160 123.780 119.914 -0.491 0.000 2.465 96 V HA 0.367 4.439 4.120 -0.079 0.000 0.279 96 V C -1.300 174.576 176.094 -0.364 0.000 1.045 96 V CA -0.099 61.960 62.300 -0.402 0.000 0.938 96 V CB 0.089 31.681 31.823 -0.385 0.000 0.986 96 V HN 0.513 nan 8.190 nan 0.000 0.467 97 Y N 4.329 124.709 120.300 0.132 0.000 2.462 97 Y HA 0.756 5.266 4.550 -0.067 0.000 0.346 97 Y C 0.593 176.653 175.900 0.266 0.000 0.976 97 Y CA -0.390 57.845 58.100 0.225 0.000 1.044 97 Y CB 1.769 40.312 38.460 0.138 0.000 1.230 97 Y HN 0.847 nan 8.280 nan 0.000 0.455 121 K N 0.683 121.053 120.400 -0.051 0.000 2.167 121 K HA 0.019 4.292 4.320 -0.079 0.000 0.203 121 K C 1.597 178.137 176.600 -0.101 0.000 1.052 121 K CA 1.641 57.897 56.287 -0.052 0.000 0.956 121 K CB 0.132 32.608 32.500 -0.039 0.000 0.735 121 K HN 0.154 nan 8.250 nan 0.000 0.451 122 V N -1.390 118.413 119.914 -0.184 0.000 2.427 122 V HA -0.033 4.039 4.120 -0.079 0.000 0.248 122 V C 2.172 177.968 176.094 -0.497 0.000 1.051 122 V CA 1.572 63.620 62.300 -0.419 0.000 1.048 122 V CB -1.084 30.411 31.823 -0.546 0.000 0.666 122 V HN 0.255 nan 8.190 nan 0.000 0.456 123 A N -0.263 122.412 122.820 -0.242 0.000 2.225 123 A HA -0.141 4.131 4.320 -0.079 0.000 0.215 123 A C 2.241 179.831 177.584 0.011 0.000 1.164 123 A CA 1.752 53.742 52.037 -0.078 0.000 0.710 123 A CB -0.439 18.566 19.000 0.007 0.000 0.780 123 A HN 0.653 nan 8.150 nan 0.000 0.473 124 E N -0.497 119.700 120.200 -0.006 0.000 2.228 124 E HA 0.007 4.309 4.350 -0.079 0.000 0.197 124 E C 1.930 178.640 176.600 0.183 0.000 0.909 124 E CA 1.000 57.456 56.400 0.092 0.000 0.911 124 E CB -0.199 29.533 29.700 0.053 0.000 0.887 124 E HN 0.222 nan 8.360 nan 0.000 0.481 125 V N 1.706 121.689 119.914 0.115 0.000 2.324 125 V HA -0.244 3.829 4.120 -0.079 0.000 0.250 125 V C 2.301 178.667 176.094 0.453 0.000 1.060 125 V CA 1.650 64.094 62.300 0.241 0.000 1.042 125 V CB -0.721 31.161 31.823 0.098 0.000 0.650 125 V HN 0.190 nan 8.190 nan 0.000 0.450 126 F N -0.060 119.937 119.950 0.079 0.000 2.365 126 F HA -0.063 4.428 4.527 -0.060 0.000 0.300 126 F C 2.278 178.133 175.800 0.092 0.000 1.090 126 F CA 1.466 59.487 58.000 0.034 0.000 1.408 126 F CB -1.225 37.737 39.000 -0.063 0.000 1.060 126 F HN 0.361 nan 8.300 nan 0.000 0.534 127 H N -0.184 119.022 119.070 0.226 0.000 2.529 127 H HA 0.047 4.573 4.556 -0.050 0.000 0.277 127 H C 1.898 177.260 175.328 0.057 0.000 0.999 127 H CA 1.254 57.373 56.048 0.117 0.000 1.256 127 H CB 0.272 30.088 29.762 0.090 0.000 1.402 127 H HN -0.192 nan 8.280 nan 0.000 0.566 128 K N -0.439 119.982 120.400 0.034 0.000 2.313 128 K HA 0.046 4.319 4.320 -0.079 0.000 0.197 128 K C 0.151 176.508 176.600 -0.405 0.000 1.061 128 K CA 0.554 56.710 56.287 -0.219 0.000 0.980 128 K CB 0.413 32.811 32.500 -0.171 0.000 0.888 128 K HN 0.366 nan 8.250 nan 0.000 0.502 129 Y N -0.192 120.087 120.300 -0.034 0.000 2.660 129 Y HA 0.342 4.834 4.550 -0.095 0.000 0.254 129 Y C 1.034 176.865 175.900 -0.115 0.000 1.176 129 Y CA -0.073 57.986 58.100 -0.068 0.000 1.195 129 Y CB 0.549 38.976 38.460 -0.054 0.000 1.190 129 Y HN -0.174 nan 8.280 nan 0.000 0.535 130 L N -1.026 120.191 121.223 -0.009 0.000 3.888 130 L HA 0.141 4.434 4.340 -0.079 0.000 0.369 130 L C -0.119 176.701 176.870 -0.084 0.000 1.200 130 L CA -0.019 54.769 54.840 -0.088 0.000 1.268 130 L CB 0.729 42.673 42.059 -0.191 0.000 1.573 130 L HN -0.053 nan 8.230 nan 0.000 0.632 131 D N 0.407 120.748 120.400 -0.098 0.000 3.059 131 D HA -0.216 4.377 4.640 -0.079 0.000 0.222 131 D C 0.381 176.665 176.300 -0.027 0.000 1.185 131 D CA 1.276 55.209 54.000 -0.112 0.000 0.904 131 D CB -0.815 39.926 40.800 -0.100 0.000 1.122 131 D HN 0.375 nan 8.370 nan 0.000 0.410 132 M N 1.106 120.729 119.600 0.039 0.000 2.200 132 M HA 0.095 4.527 4.480 -0.079 0.000 0.355 132 M C 0.946 177.407 176.300 0.267 0.000 1.283 132 M CA 0.132 55.484 55.300 0.087 0.000 1.124 132 M CB 0.770 33.449 32.600 0.132 0.000 1.625 132 M HN -0.038 nan 8.290 nan 0.000 0.463 133 E N 2.509 122.844 120.200 0.224 0.000 2.344 133 E HA 0.052 4.354 4.350 -0.079 0.000 0.270 133 E C -0.209 176.508 176.600 0.195 0.000 1.021 133 E CA -0.321 56.221 56.400 0.236 0.000 0.887 133 E CB 0.806 30.609 29.700 0.171 0.000 0.997 133 E HN 0.681 nan 8.360 nan 0.000 0.429 134 E N 2.095 122.321 120.200 0.043 0.000 2.187 134 E HA -0.280 4.023 4.350 -0.079 0.000 0.199 134 E C 1.761 178.415 176.600 0.091 0.000 1.004 134 E CA 1.722 58.146 56.400 0.040 0.000 0.813 134 E CB -0.032 29.614 29.700 -0.090 0.000 0.736 134 E HN 0.643 nan 8.360 nan 0.000 0.468 135 S N -0.763 114.989 115.700 0.087 0.000 2.399 135 S HA -0.194 4.229 4.470 -0.079 0.000 0.231 135 S C 1.769 176.447 174.600 0.130 0.000 1.022 135 S CA 0.971 59.222 58.200 0.084 0.000 0.983 135 S CB -0.202 63.039 63.200 0.069 0.000 0.803 135 S HN 0.417 nan 8.310 nan 0.000 0.480 136 Y N 1.867 122.215 120.300 0.080 0.000 2.153 136 Y HA 0.006 4.521 4.550 -0.058 0.000 0.289 136 Y C 2.251 178.233 175.900 0.137 0.000 1.127 136 Y CA 1.573 59.734 58.100 0.102 0.000 1.131 136 Y CB -0.639 37.898 38.460 0.129 0.000 0.995 136 Y HN 0.098 nan 8.280 nan 0.000 0.505 137 V N 0.669 120.887 119.914 0.506 0.000 2.568 137 V HA -0.297 3.775 4.120 -0.079 0.000 0.253 137 V C 2.372 178.609 176.094 0.238 0.000 1.072 137 V CA 2.024 64.630 62.300 0.511 0.000 1.084 137 V CB -0.759 31.345 31.823 0.469 0.000 0.676 137 V HN 0.254 nan 8.190 nan 0.000 0.469 138 R N 0.962 121.543 120.500 0.136 0.000 2.092 138 R HA -0.215 4.077 4.340 -0.079 0.000 0.226 138 R C 2.520 178.816 176.300 -0.006 0.000 1.140 138 R CA 2.228 58.358 56.100 0.050 0.000 0.910 138 R CB -0.530 29.789 30.300 0.031 0.000 0.822 138 R HN 0.788 nan 8.270 nan 0.000 0.433 139 E N -0.044 120.129 120.200 -0.047 0.000 2.049 139 E HA -0.278 4.024 4.350 -0.079 0.000 0.198 139 E C 1.689 178.211 176.600 -0.130 0.000 1.007 139 E CA 1.277 57.621 56.400 -0.094 0.000 0.809 139 E CB -0.441 29.181 29.700 -0.129 0.000 0.749 139 E HN 0.295 nan 8.360 nan 0.000 0.450 140 Q N 0.704 120.389 119.800 -0.190 0.000 2.515 140 Q HA 0.016 4.308 4.340 -0.079 0.000 0.215 140 Q C 0.807 176.666 176.000 -0.234 0.000 0.983 140 Q CA 0.988 56.648 55.803 -0.239 0.000 0.905 140 Q CB -0.461 28.096 28.738 -0.302 0.000 0.961 140 Q HN 0.522 nan 8.270 nan 0.000 0.503 150 S N -0.663 115.068 115.700 0.052 0.000 2.655 150 S HA 0.746 5.169 4.470 -0.079 0.000 0.265 150 S C -0.251 174.330 174.600 -0.031 0.000 1.240 150 S CA 0.411 58.722 58.200 0.185 0.000 0.986 150 S CB 1.283 64.568 63.200 0.142 0.000 0.985 150 S HN 0.444 nan 8.310 nan 0.000 0.562 151 F N 0.337 120.423 119.950 0.227 0.000 3.031 151 F HA 0.403 4.891 4.527 -0.065 0.000 0.365 151 F C 0.908 176.843 175.800 0.224 0.000 1.128 151 F CA 0.658 58.803 58.000 0.242 0.000 1.068 151 F CB 0.554 39.664 39.000 0.183 0.000 1.280 151 F HN 1.010 nan 8.300 nan 0.000 0.529 152 G N 1.103 110.086 108.800 0.305 0.000 2.615 152 G HA2 -0.011 3.901 3.960 -0.079 0.000 0.218 152 G HA3 -0.011 3.901 3.960 -0.079 0.000 0.218 152 G C 0.856 175.817 174.900 0.103 0.000 1.339 152 G CA -0.148 45.084 45.100 0.219 0.000 0.884 152 G HN 0.507 nan 8.290 nan 0.000 0.559 153 A N -0.354 122.490 122.820 0.041 0.000 1.841 153 A HA 0.084 4.357 4.320 -0.079 0.000 0.214 153 A C 2.225 179.779 177.584 -0.050 0.000 1.195 153 A CA 2.472 54.506 52.037 -0.004 0.000 0.611 153 A CB -0.604 18.389 19.000 -0.011 0.000 0.835 153 A HN 0.832 nan 8.150 nan 0.000 0.443 154 K N -0.742 119.603 120.400 -0.091 0.000 2.286 154 K HA -0.146 4.127 4.320 -0.079 0.000 0.203 154 K C 1.547 178.052 176.600 -0.158 0.000 1.045 154 K CA 1.017 57.231 56.287 -0.122 0.000 0.935 154 K CB -0.340 32.070 32.500 -0.149 0.000 0.737 154 K HN 0.501 nan 8.250 nan 0.000 0.460 155 G N 0.318 109.033 108.800 -0.142 0.000 3.141 155 G HA2 -0.050 3.863 3.960 -0.079 0.000 0.218 155 G HA3 -0.050 3.863 3.960 -0.079 0.000 0.218 155 G C 0.041 174.825 174.900 -0.194 0.000 1.170 155 G CA -0.283 44.676 45.100 -0.234 0.000 0.769 155 G HN 0.075 nan 8.290 nan 0.000 0.546 156 N N 0.714 119.340 118.700 -0.123 0.000 2.421 156 N HA 0.470 5.163 4.740 -0.079 0.000 0.285 156 N C 0.522 175.976 175.510 -0.093 0.000 1.027 156 N CA 0.439 53.426 53.050 -0.103 0.000 0.918 156 N CB 1.442 39.905 38.487 -0.041 0.000 1.152 156 N HN 0.248 nan 8.380 nan 0.000 0.485 157 G N 2.772 111.517 108.800 -0.091 0.000 2.331 157 G HA2 -0.193 3.720 3.960 -0.079 0.000 0.254 157 G HA3 -0.193 3.720 3.960 -0.079 0.000 0.254 157 G C -0.009 174.849 174.900 -0.070 0.000 0.879 157 G CA 0.657 45.719 45.100 -0.064 0.000 1.287 157 G HN 0.694 nan 8.290 nan 0.000 0.383 158 I N -1.512 119.008 120.570 -0.083 0.000 2.740 158 I HA 0.755 4.878 4.170 -0.079 0.000 0.303 158 I C 0.542 176.633 176.117 -0.044 0.000 1.044 158 I CA -1.198 60.054 61.300 -0.080 0.000 1.064 158 I CB 1.994 39.917 38.000 -0.128 0.000 1.249 158 I HN 0.119 nan 8.210 nan 0.000 0.433 159 T N 3.425 117.965 114.554 -0.024 0.000 2.934 159 T HA -0.057 4.245 4.350 -0.079 0.000 0.306 159 T C 0.588 175.306 174.700 0.030 0.000 1.042 159 T CA 0.399 62.510 62.100 0.018 0.000 1.145 159 T CB 0.144 69.025 68.868 0.022 0.000 0.982 159 T HN 0.703 nan 8.240 nan 0.000 0.544 160 Y N 3.342 123.622 120.300 -0.034 0.000 2.228 160 Y HA -0.227 4.278 4.550 -0.076 0.000 0.285 160 Y C 2.151 178.035 175.900 -0.027 0.000 1.178 160 Y CA 1.768 59.849 58.100 -0.032 0.000 1.202 160 Y CB -0.574 37.873 38.460 -0.023 0.000 0.974 160 Y HN 0.795 nan 8.280 nan 0.000 0.527 161 A N 0.858 123.709 122.820 0.052 0.000 1.824 161 A HA -0.255 4.018 4.320 -0.079 0.000 0.215 161 A C 2.199 179.734 177.584 -0.082 0.000 1.209 161 A CA 1.854 53.890 52.037 -0.002 0.000 0.614 161 A CB -1.157 17.879 19.000 0.060 0.000 0.852 161 A HN 0.608 nan 8.150 nan 0.000 0.447 162 N N 0.313 118.994 118.700 -0.031 0.000 2.133 162 N HA -0.216 4.477 4.740 -0.079 0.000 0.193 162 N C 1.319 176.757 175.510 -0.121 0.000 1.012 162 N CA 2.044 55.089 53.050 -0.008 0.000 0.871 162 N CB -0.551 37.942 38.487 0.010 0.000 1.011 162 N HN 0.731 nan 8.380 nan 0.000 0.435 163 M N -0.796 118.690 119.600 -0.190 0.000 3.168 163 M HA 0.359 4.792 4.480 -0.079 0.000 0.202 163 M C -0.054 176.064 176.300 -0.303 0.000 1.310 163 M CA 0.410 55.563 55.300 -0.245 0.000 1.302 163 M CB 0.209 32.666 32.600 -0.240 0.000 1.484 163 M HN -0.108 nan 8.290 nan 0.000 0.434 184 P HA 0.497 nan 4.420 nan 0.000 0.272 184 P C -0.717 176.587 177.300 0.007 0.000 1.223 184 P CA -0.242 62.862 63.100 0.007 0.000 0.784 184 P CB 0.508 32.211 31.700 0.006 0.000 0.923 185 N N 0.593 119.289 118.700 -0.007 0.000 2.710 185 N HA 0.530 5.222 4.740 -0.079 0.000 0.257 185 N C -1.722 173.767 175.510 -0.036 0.000 1.327 185 N CA -0.787 52.261 53.050 -0.004 0.000 0.861 185 N CB 1.358 39.846 38.487 0.001 0.000 1.532 185 N HN 0.027 nan 8.380 nan 0.000 0.499 186 R N 0.761 121.241 120.500 -0.033 0.000 2.437 186 R HA 0.638 4.931 4.340 -0.079 0.000 0.310 186 R C -1.407 174.780 176.300 -0.188 0.000 0.955 186 R CA -0.499 55.519 56.100 -0.137 0.000 0.851 186 R CB 1.240 31.481 30.300 -0.099 0.000 1.161 186 R HN 0.437 nan 8.270 nan 0.000 0.446 187 S N 3.852 119.359 115.700 -0.322 0.000 2.454 187 S HA 0.491 4.913 4.470 -0.079 0.000 0.306 187 S C -1.438 172.900 174.600 -0.436 0.000 1.100 187 S CA -0.465 57.588 58.200 -0.245 0.000 1.087 187 S CB 0.366 63.485 63.200 -0.135 0.000 1.019 187 S HN 0.535 nan 8.310 nan 0.000 0.480 188 Y N 5.660 125.945 120.300 -0.027 0.000 2.805 188 Y HA 0.353 4.857 4.550 -0.078 0.000 0.339 188 Y C -1.500 174.359 175.900 -0.069 0.000 1.012 188 Y CA -1.950 56.119 58.100 -0.052 0.000 1.262 188 Y CB 1.128 39.587 38.460 -0.001 0.000 1.100 188 Y HN 0.549 nan 8.280 nan 0.000 0.559 189 P HA -0.200 nan 4.420 nan 0.000 0.218 189 P C 0.436 177.714 177.300 -0.036 0.000 1.146 189 P CA 1.509 64.592 63.100 -0.028 0.000 0.813 189 P CB 0.557 32.220 31.700 -0.062 0.000 0.778 190 N N -0.614 118.023 118.700 -0.106 0.000 2.463 190 N HA 0.003 4.696 4.740 -0.079 0.000 0.181 190 N C 1.613 177.144 175.510 0.036 0.000 1.078 190 N CA 1.162 54.147 53.050 -0.107 0.000 0.902 190 N CB 0.015 38.207 38.487 -0.492 0.000 0.970 190 N HN 0.216 nan 8.380 nan 0.000 0.451 191 G N 1.613 110.447 108.800 0.056 0.000 2.543 191 G HA2 -0.359 3.553 3.960 -0.079 0.000 0.286 191 G HA3 -0.359 3.553 3.960 -0.079 0.000 0.286 191 G C -0.127 174.808 174.900 0.057 0.000 1.153 191 G CA 0.121 45.262 45.100 0.068 0.000 0.968 191 G HN 0.436 nan 8.290 nan 0.000 0.544 192 Q N 0.658 120.487 119.800 0.049 0.000 2.324 192 Q HA 0.526 4.819 4.340 -0.079 0.000 0.257 192 Q C -1.291 174.790 176.000 0.136 0.000 1.080 192 Q CA -0.301 55.500 55.803 -0.003 0.000 0.907 192 Q CB -0.200 28.527 28.738 -0.019 0.000 1.274 192 Q HN 0.857 nan 8.270 nan 0.000 0.434 193 F N 3.911 123.807 119.950 -0.090 0.000 3.287 193 F HA 0.390 4.871 4.527 -0.076 0.000 0.379 193 F C -0.113 175.685 175.800 -0.004 0.000 1.268 193 F CA 0.185 58.178 58.000 -0.011 0.000 1.220 193 F CB 0.479 39.503 39.000 0.040 0.000 1.687 193 F HN 0.661 nan 8.300 nan 0.000 0.648 194 A N 3.215 125.984 122.820 -0.086 0.000 2.744 194 A HA -0.295 3.978 4.320 -0.079 0.000 0.300 194 A C 1.744 179.384 177.584 0.094 0.000 1.512 194 A CA 1.368 53.407 52.037 0.004 0.000 0.851 194 A CB -2.273 16.745 19.000 0.030 0.000 0.987 194 A HN 0.998 nan 8.150 nan 0.000 0.507 195 S N 0.198 115.835 115.700 -0.104 0.000 2.393 195 S HA -0.332 4.091 4.470 -0.079 0.000 0.235 195 S C 2.354 176.901 174.600 -0.088 0.000 1.061 195 S CA 2.365 60.336 58.200 -0.382 0.000 1.129 195 S CB -0.601 61.832 63.200 -1.278 0.000 1.011 195 S HN 1.851 nan 8.310 nan 0.000 0.436 196 S N 0.709 116.439 115.700 0.050 0.000 2.402 196 S HA -0.046 4.377 4.470 -0.079 0.000 0.229 196 S C 1.640 176.479 174.600 0.397 0.000 1.021 196 S CA 0.823 59.236 58.200 0.355 0.000 0.974 196 S CB -0.576 62.805 63.200 0.303 0.000 0.800 196 S HN 0.392 nan 8.310 nan 0.000 0.484 197 F N 2.640 122.682 119.950 0.154 0.000 2.098 197 F HA 0.150 4.629 4.527 -0.079 0.000 0.294 197 F C 2.079 177.945 175.800 0.109 0.000 1.107 197 F CA 0.508 58.590 58.000 0.137 0.000 1.234 197 F CB -0.433 38.623 39.000 0.093 0.000 1.002 197 F HN 0.103 nan 8.300 nan 0.000 0.472 198 I N 0.207 120.876 120.570 0.166 0.000 2.226 198 I HA -0.012 4.111 4.170 -0.079 0.000 0.245 198 I C 1.606 177.799 176.117 0.125 0.000 1.100 198 I CA 1.508 62.870 61.300 0.102 0.000 1.374 198 I CB -2.035 36.108 38.000 0.238 0.000 1.057 198 I HN 0.282 nan 8.210 nan 0.000 0.413 199 G N 1.127 110.063 108.800 0.226 0.000 2.796 199 G HA2 -0.209 3.704 3.960 -0.079 0.000 0.571 199 G HA3 -0.209 3.704 3.960 -0.079 0.000 0.571 199 G C -0.732 174.322 174.900 0.256 0.000 1.370 199 G CA -0.602 44.671 45.100 0.289 0.000 0.856 199 G HN 0.231 nan 8.290 nan 0.000 0.538 200 L N 0.058 121.419 121.223 0.230 0.000 2.365 200 L HA 0.736 5.029 4.340 -0.079 0.000 0.273 200 L C 0.677 177.657 176.870 0.183 0.000 1.000 200 L CA -0.719 54.247 54.840 0.210 0.000 0.819 200 L CB 2.183 44.324 42.059 0.137 0.000 1.284 200 L HN 1.228 nan 8.230 nan 0.000 0.418 201 A N 3.400 126.381 122.820 0.268 0.000 2.252 201 A HA 0.635 4.908 4.320 -0.079 0.000 0.309 201 A C -0.537 177.122 177.584 0.126 0.000 1.285 201 A CA -0.360 51.762 52.037 0.143 0.000 0.900 201 A CB 0.539 19.598 19.000 0.098 0.000 1.157 201 A HN 0.763 nan 8.150 nan 0.000 0.536 202 Q N 0.915 120.758 119.800 0.070 0.000 2.297 202 Q HA 0.515 4.808 4.340 -0.079 0.000 0.268 202 Q C -0.979 175.058 176.000 0.063 0.000 1.045 202 Q CA -1.138 54.701 55.803 0.060 0.000 0.861 202 Q CB 2.243 30.993 28.738 0.021 0.000 1.344 202 Q HN 0.675 nan 8.270 nan 0.000 0.452 203 L N 2.115 123.371 121.223 0.056 0.000 2.410 203 L HA 0.089 4.382 4.340 -0.079 0.000 0.273 203 L C -0.770 176.148 176.870 0.081 0.000 1.152 203 L CA 0.626 55.503 54.840 0.062 0.000 0.855 203 L CB 0.172 42.255 42.059 0.041 0.000 1.129 203 L HN 0.543 nan 8.230 nan 0.000 0.463 204 H N 5.011 124.080 119.070 -0.001 0.000 2.589 204 H HA 0.311 4.819 4.556 -0.080 0.000 0.335 204 H C -1.066 174.262 175.328 -0.000 0.000 1.019 204 H CA -0.641 55.404 56.048 -0.005 0.000 1.213 204 H CB 1.080 30.837 29.762 -0.009 0.000 1.472 204 H HN 0.706 nan 8.280 nan 0.000 0.508 205 E N 4.747 124.845 120.200 -0.170 0.000 1.932 205 E HA 0.081 4.384 4.350 -0.079 0.000 0.275 205 E C 0.062 176.686 176.600 0.040 0.000 1.159 205 E CA -0.583 55.791 56.400 -0.043 0.000 0.905 205 E CB 0.476 30.123 29.700 -0.088 0.000 1.059 205 E HN 0.479 nan 8.360 nan 0.000 0.400 206 N N 2.511 121.333 118.700 0.204 0.000 2.305 206 N HA -0.098 4.594 4.740 -0.079 0.000 0.232 206 N C 0.905 176.477 175.510 0.104 0.000 1.274 206 N CA 0.397 53.569 53.050 0.203 0.000 0.870 206 N CB 0.589 39.147 38.487 0.118 0.000 1.105 206 N HN 0.521 nan 8.380 nan 0.000 0.436 207 E N 0.217 120.474 120.200 0.096 0.000 2.209 207 E HA -0.219 4.083 4.350 -0.079 0.000 0.196 207 E C 0.528 177.150 176.600 0.036 0.000 0.993 207 E CA 1.361 57.794 56.400 0.054 0.000 0.819 207 E CB -0.045 29.684 29.700 0.048 0.000 0.745 207 E HN 0.635 nan 8.360 nan 0.000 0.477 208 D N -1.476 118.947 120.400 0.038 0.000 2.333 208 D HA 0.049 4.642 4.640 -0.079 0.000 0.208 208 D C 1.360 177.677 176.300 0.028 0.000 0.984 208 D CA 0.781 54.798 54.000 0.029 0.000 0.873 208 D CB 0.487 41.303 40.800 0.027 0.000 0.935 208 D HN 0.183 nan 8.370 nan 0.000 0.521 209 G N -0.004 108.816 108.800 0.034 0.000 2.352 209 G HA2 -0.242 3.670 3.960 -0.079 0.000 0.204 209 G HA3 -0.242 3.670 3.960 -0.079 0.000 0.204 209 G C 0.490 175.413 174.900 0.038 0.000 1.004 209 G CA 0.042 45.160 45.100 0.030 0.000 0.648 209 G HN 0.766 nan 8.290 nan 0.000 0.491 210 S N 0.773 116.499 115.700 0.043 0.000 2.579 210 S HA 0.592 5.015 4.470 -0.079 0.000 0.275 210 S C 0.133 174.767 174.600 0.058 0.000 1.345 210 S CA 0.157 58.385 58.200 0.046 0.000 1.031 210 S CB 1.574 64.798 63.200 0.041 0.000 0.892 210 S HN 0.531 nan 8.310 nan 0.000 0.529 211 K N 1.111 121.543 120.400 0.054 0.000 2.110 211 K HA 0.590 4.863 4.320 -0.079 0.000 0.263 211 K C -0.363 176.270 176.600 0.056 0.000 0.975 211 K CA -0.475 55.849 56.287 0.061 0.000 0.895 211 K CB 1.522 34.051 32.500 0.049 0.000 1.060 211 K HN 0.883 nan 8.250 nan 0.000 0.448 212 S N 1.288 117.032 115.700 0.072 0.000 2.550 212 S HA 0.439 4.861 4.470 -0.079 0.000 0.270 212 S C -0.959 173.672 174.600 0.052 0.000 1.145 212 S CA -1.073 57.152 58.200 0.043 0.000 0.852 212 S CB 0.763 63.973 63.200 0.016 0.000 1.119 212 S HN 0.406 nan 8.310 nan 0.000 0.465 213 L N 2.228 123.463 121.223 0.020 0.000 2.276 213 L HA 0.632 4.924 4.340 -0.079 0.000 0.286 213 L C -0.954 175.921 176.870 0.008 0.000 1.061 213 L CA -0.799 54.054 54.840 0.023 0.000 0.807 213 L CB 1.371 43.432 42.059 0.004 0.000 1.177 213 L HN 0.687 nan 8.230 nan 0.000 0.429 214 L N 2.827 124.065 121.223 0.025 0.000 2.386 214 L HA 0.697 4.989 4.340 -0.079 0.000 0.271 214 L C 0.126 177.003 176.870 0.012 0.000 0.993 214 L CA -0.048 54.792 54.840 -0.000 0.000 0.819 214 L CB 1.984 44.035 42.059 -0.015 0.000 1.294 214 L HN 0.486 nan 8.230 nan 0.000 0.414 215 G N 1.330 110.131 108.800 0.003 0.000 2.364 215 G HA2 0.409 4.322 3.960 -0.079 0.000 0.267 215 G HA3 0.409 4.322 3.960 -0.079 0.000 0.267 215 G C 0.496 175.389 174.900 -0.011 0.000 1.233 215 G CA 0.366 45.474 45.100 0.012 0.000 0.885 215 G HN 0.855 nan 8.290 nan 0.000 0.490 216 T N -1.816 112.717 114.554 -0.035 0.000 3.003 216 T HA 0.424 4.727 4.350 -0.079 0.000 0.261 216 T C 0.816 175.446 174.700 -0.116 0.000 1.003 216 T CA 0.504 62.542 62.100 -0.104 0.000 0.917 216 T CB 0.060 68.806 68.868 -0.203 0.000 1.084 216 T HN 1.217 nan 8.240 nan 0.000 0.522 217 S N -0.964 114.722 115.700 -0.023 0.000 2.595 217 S HA 0.649 5.072 4.470 -0.079 0.000 0.270 217 S C 0.345 175.027 174.600 0.137 0.000 1.145 217 S CA -0.279 57.967 58.200 0.077 0.000 0.825 217 S CB 1.016 64.299 63.200 0.138 0.000 1.107 217 S HN 1.484 nan 8.310 nan 0.000 0.461 218 G N 1.633 110.540 108.800 0.177 0.000 2.601 218 G HA2 -0.266 3.647 3.960 -0.079 0.000 0.261 218 G HA3 -0.266 3.647 3.960 -0.079 0.000 0.261 218 G C 0.745 175.605 174.900 -0.066 0.000 1.289 218 G CA 0.417 45.572 45.100 0.091 0.000 0.920 218 G HN 1.168 nan 8.290 nan 0.000 0.571 219 M N -0.910 118.556 119.600 -0.224 0.000 2.149 219 M HA -0.091 4.342 4.480 -0.079 0.000 0.261 219 M C 2.307 178.576 176.300 -0.053 0.000 1.064 219 M CA 2.392 57.561 55.300 -0.217 0.000 1.102 219 M CB -0.499 31.940 32.600 -0.269 0.000 1.369 219 M HN 0.665 nan 8.290 nan 0.000 0.408 220 E N 0.374 120.577 120.200 0.005 0.000 2.097 220 E HA -0.192 4.110 4.350 -0.079 0.000 0.196 220 E C 2.131 178.746 176.600 0.025 0.000 1.000 220 E CA 1.975 58.402 56.400 0.045 0.000 0.804 220 E CB -0.103 29.664 29.700 0.111 0.000 0.740 220 E HN 0.370 nan 8.360 nan 0.000 0.454 221 S N -1.362 114.350 115.700 0.021 0.000 2.341 221 S HA -0.045 4.378 4.470 -0.079 0.000 0.216 221 S C 2.110 176.716 174.600 0.010 0.000 1.034 221 S CA 1.183 59.392 58.200 0.015 0.000 0.964 221 S CB -0.465 62.748 63.200 0.022 0.000 0.882 221 S HN 0.272 nan 8.310 nan 0.000 0.469 222 S N 1.137 116.838 115.700 0.003 0.000 2.400 222 S HA 0.019 4.442 4.470 -0.079 0.000 0.232 222 S C 1.014 175.620 174.600 0.011 0.000 1.025 222 S CA 0.979 59.180 58.200 0.003 0.000 0.993 222 S CB -0.253 62.927 63.200 -0.033 0.000 0.808 222 S HN 0.354 nan 8.310 nan 0.000 0.478 223 L N 1.712 122.941 121.223 0.010 0.000 2.791 223 L HA 0.331 4.624 4.340 -0.079 0.000 0.239 223 L C 1.317 178.195 176.870 0.013 0.000 1.203 223 L CA -0.007 54.846 54.840 0.021 0.000 1.002 223 L CB -0.893 41.190 42.059 0.041 0.000 1.295 223 L HN 0.119 nan 8.230 nan 0.000 0.504 224 N N 0.377 119.082 118.700 0.008 0.000 2.007 224 N HA -0.268 4.424 4.740 -0.079 0.000 0.197 224 N C 2.157 177.667 175.510 -0.001 0.000 1.050 224 N CA 2.047 55.098 53.050 0.001 0.000 0.856 224 N CB 0.082 38.567 38.487 -0.003 0.000 1.050 224 N HN 0.364 nan 8.380 nan 0.000 0.423 225 S N -0.175 115.527 115.700 0.003 0.000 2.402 225 S HA -0.163 4.259 4.470 -0.079 0.000 0.233 225 S C 2.050 176.655 174.600 0.008 0.000 1.030 225 S CA 1.308 59.511 58.200 0.005 0.000 1.003 225 S CB -0.857 62.353 63.200 0.016 0.000 0.813 225 S HN 0.451 nan 8.310 nan 0.000 0.477 226 I N 0.692 121.269 120.570 0.012 0.000 2.353 226 I HA -0.045 4.077 4.170 -0.079 0.000 0.248 226 I C 2.358 178.478 176.117 0.006 0.000 1.119 226 I CA 0.927 62.234 61.300 0.012 0.000 1.417 226 I CB -0.280 37.726 38.000 0.010 0.000 1.078 226 I HN 0.289 nan 8.210 nan 0.000 0.421 227 L N 0.255 121.478 121.223 0.001 0.000 2.127 227 L HA -0.024 4.269 4.340 -0.079 0.000 0.203 227 L C 2.833 179.692 176.870 -0.019 0.000 1.080 227 L CA 0.939 55.773 54.840 -0.010 0.000 0.768 227 L CB -0.647 41.404 42.059 -0.014 0.000 0.924 227 L HN 0.166 nan 8.230 nan 0.000 0.444 228 A N -0.147 122.662 122.820 -0.018 0.000 1.834 228 A HA 0.207 4.480 4.320 -0.079 0.000 0.216 228 A C 1.478 179.047 177.584 -0.025 0.000 1.203 228 A CA 1.849 53.871 52.037 -0.025 0.000 0.621 228 A CB -1.002 17.983 19.000 -0.026 0.000 0.841 228 A HN 0.515 nan 8.150 nan 0.000 0.446 229 G N -3.122 105.667 108.800 -0.019 0.000 2.445 229 G HA2 0.104 4.016 3.960 -0.079 0.000 0.212 229 G HA3 0.104 4.016 3.960 -0.079 0.000 0.212 229 G C -0.187 174.701 174.900 -0.020 0.000 1.217 229 G CA -0.063 45.026 45.100 -0.019 0.000 1.002 229 G HN 1.056 nan 8.290 nan 0.000 0.574 230 T N 1.733 116.275 114.554 -0.021 0.000 2.848 230 T HA 0.601 4.904 4.350 -0.079 0.000 0.285 230 T C -0.567 174.121 174.700 -0.020 0.000 0.995 230 T CA -0.400 61.689 62.100 -0.019 0.000 0.970 230 T CB 1.686 70.544 68.868 -0.016 0.000 0.976 230 T HN 0.571 nan 8.240 nan 0.000 0.441 258 G N 0.501 109.285 108.800 -0.027 0.000 2.507 258 G HA2 0.493 4.406 3.960 -0.079 0.000 0.271 258 G HA3 0.493 4.406 3.960 -0.079 0.000 0.271 258 G C -0.091 174.807 174.900 -0.004 0.000 1.189 258 G CA -0.403 44.686 45.100 -0.019 0.000 0.859 258 G HN 0.218 nan 8.290 nan 0.000 0.542 259 K N 0.713 121.115 120.400 0.002 0.000 2.202 259 K HA 0.181 4.454 4.320 -0.079 0.000 0.264 259 K C -0.704 175.946 176.600 0.083 0.000 1.010 259 K CA -0.410 55.895 56.287 0.029 0.000 0.940 259 K CB 0.840 33.350 32.500 0.016 0.000 0.983 259 K HN 0.368 nan 8.250 nan 0.000 0.475 260 D N 1.457 121.976 120.400 0.199 0.000 2.264 260 D HA 0.149 4.741 4.640 -0.079 0.000 0.250 260 D C -0.703 175.751 176.300 0.258 0.000 1.113 260 D CA -0.255 53.880 54.000 0.224 0.000 0.871 260 D CB 1.539 42.610 40.800 0.451 0.000 1.167 260 D HN 0.020 nan 8.370 nan 0.000 0.447 261 V N 3.725 123.709 119.914 0.117 0.000 2.328 261 V HA 0.146 4.218 4.120 -0.079 0.000 0.278 261 V C -0.673 175.515 176.094 0.157 0.000 1.021 261 V CA -0.759 61.641 62.300 0.167 0.000 0.838 261 V CB 0.310 32.191 31.823 0.097 0.000 0.999 261 V HN 0.356 nan 8.190 nan 0.000 0.447 262 Y N 3.475 123.896 120.300 0.202 0.000 2.425 262 Y HA 0.410 4.913 4.550 -0.079 0.000 0.347 262 Y C 1.343 177.349 175.900 0.176 0.000 0.976 262 Y CA -0.511 57.719 58.100 0.217 0.000 1.190 262 Y CB 1.074 39.627 38.460 0.155 0.000 1.136 262 Y HN 0.781 nan 8.280 nan 0.000 0.517 263 T N -2.418 112.315 114.554 0.298 0.000 2.732 263 T HA 0.105 4.408 4.350 -0.079 0.000 0.287 263 T C 1.285 176.159 174.700 0.290 0.000 0.993 263 T CA -0.023 62.256 62.100 0.298 0.000 0.966 263 T CB 0.919 69.980 68.868 0.322 0.000 1.047 263 T HN 0.647 nan 8.240 nan 0.000 0.527 264 T N -1.649 113.086 114.554 0.301 0.000 3.100 264 T HA 0.225 4.528 4.350 -0.079 0.000 0.253 264 T C 0.974 175.830 174.700 0.260 0.000 1.118 264 T CA -0.444 61.810 62.100 0.258 0.000 1.058 264 T CB -0.307 68.716 68.868 0.259 0.000 0.953 264 T HN 0.489 nan 8.240 nan 0.000 0.515 265 I N 2.847 123.595 120.570 0.296 0.000 2.752 265 I HA 0.133 4.255 4.170 -0.079 0.000 0.287 265 I C 0.697 176.959 176.117 0.241 0.000 1.188 265 I CA -0.010 61.450 61.300 0.266 0.000 1.427 265 I CB 0.556 38.746 38.000 0.316 0.000 1.365 265 I HN 0.240 nan 8.210 nan 0.000 0.585 266 S N 4.314 120.128 115.700 0.190 0.000 2.461 266 S HA 0.221 4.643 4.470 -0.079 0.000 0.322 266 S C 1.179 175.902 174.600 0.205 0.000 1.063 266 S CA -0.563 57.745 58.200 0.178 0.000 1.120 266 S CB 0.648 63.928 63.200 0.132 0.000 0.968 266 S HN 0.617 nan 8.310 nan 0.000 0.467 267 S N 6.359 122.234 115.700 0.291 0.000 2.368 267 S HA -0.079 4.344 4.470 -0.079 0.000 0.226 267 S C -0.743 174.042 174.600 0.308 0.000 1.044 267 S CA 1.778 60.230 58.200 0.420 0.000 1.062 267 S CB -0.891 62.501 63.200 0.320 0.000 0.931 267 S HN 0.777 nan 8.310 nan 0.000 0.440 268 P HA -0.053 nan 4.420 nan 0.000 0.218 268 P C 1.298 178.676 177.300 0.130 0.000 1.149 268 P CA 1.021 64.202 63.100 0.135 0.000 0.817 268 P CB -0.106 31.638 31.700 0.073 0.000 0.785 269 L N -0.901 120.388 121.223 0.110 0.000 2.102 269 L HA -0.081 4.211 4.340 -0.079 0.000 0.202 269 L C 3.024 179.941 176.870 0.078 0.000 1.076 269 L CA 1.066 55.964 54.840 0.097 0.000 0.761 269 L CB -0.953 41.126 42.059 0.034 0.000 0.921 269 L HN -0.036 nan 8.230 nan 0.000 0.444 270 Q N 0.148 119.951 119.800 0.004 0.000 2.061 270 Q HA -0.240 4.053 4.340 -0.079 0.000 0.204 270 Q C 2.363 178.299 176.000 -0.107 0.000 0.984 270 Q CA 2.459 58.153 55.803 -0.182 0.000 0.846 270 Q CB -0.429 27.973 28.738 -0.560 0.000 0.902 270 Q HN 0.330 nan 8.270 nan 0.000 0.421 271 S N -1.125 114.632 115.700 0.095 0.000 2.383 271 S HA -0.155 4.268 4.470 -0.079 0.000 0.229 271 S C 1.682 176.407 174.600 0.209 0.000 1.030 271 S CA 1.261 59.600 58.200 0.232 0.000 1.002 271 S CB -0.588 62.799 63.200 0.311 0.000 0.829 271 S HN 0.553 nan 8.310 nan 0.000 0.467 272 F N 1.559 121.523 119.950 0.023 0.000 2.259 272 F HA 0.240 4.719 4.527 -0.080 0.000 0.298 272 F C 2.147 177.939 175.800 -0.013 0.000 1.088 272 F CA 1.408 59.407 58.000 -0.002 0.000 1.358 272 F CB -0.563 38.416 39.000 -0.035 0.000 1.040 272 F HN 0.262 nan 8.300 nan 0.000 0.505 273 M N -0.192 119.361 119.600 -0.078 0.000 2.213 273 M HA -0.167 4.266 4.480 -0.079 0.000 0.263 273 M C 1.981 178.262 176.300 -0.031 0.000 1.062 273 M CA 1.590 56.807 55.300 -0.137 0.000 1.105 273 M CB -0.237 32.333 32.600 -0.049 0.000 1.385 273 M HN -0.002 nan 8.290 nan 0.000 0.417 274 E N 0.225 120.414 120.200 -0.018 0.000 2.031 274 E HA -0.181 4.122 4.350 -0.079 0.000 0.193 274 E C 2.043 178.653 176.600 0.015 0.000 0.994 274 E CA 2.228 58.635 56.400 0.011 0.000 0.800 274 E CB -0.872 28.847 29.700 0.032 0.000 0.752 274 E HN 0.698 nan 8.360 nan 0.000 0.447 275 T N -0.355 114.197 114.554 -0.004 0.000 2.821 275 T HA -0.124 4.179 4.350 -0.079 0.000 0.267 275 T C 1.830 176.509 174.700 -0.036 0.000 1.046 275 T CA 0.842 62.940 62.100 -0.003 0.000 1.139 275 T CB -0.055 68.832 68.868 0.032 0.000 0.871 275 T HN -0.064 nan 8.240 nan 0.000 0.454 276 Q N 0.298 120.007 119.800 -0.152 0.000 2.084 276 Q HA 0.004 4.297 4.340 -0.079 0.000 0.202 276 Q C 2.291 178.462 176.000 0.286 0.000 0.978 276 Q CA 1.456 57.215 55.803 -0.074 0.000 0.844 276 Q CB -0.491 28.009 28.738 -0.397 0.000 0.898 276 Q HN 0.541 nan 8.270 nan 0.000 0.426 277 M N 1.234 121.003 119.600 0.281 0.000 2.132 277 M HA -0.111 4.321 4.480 -0.079 0.000 0.263 277 M C 1.000 177.344 176.300 0.075 0.000 1.065 277 M CA 1.535 56.925 55.300 0.149 0.000 1.122 277 M CB -0.335 32.310 32.600 0.075 0.000 1.365 277 M HN -0.036 nan 8.290 nan 0.000 0.411 278 D N 0.434 120.866 120.400 0.053 0.000 2.106 278 D HA -0.151 4.441 4.640 -0.079 0.000 0.191 278 D C 1.992 178.317 176.300 0.042 0.000 0.997 278 D CA 2.034 56.049 54.000 0.025 0.000 0.834 278 D CB -0.595 40.219 40.800 0.023 0.000 0.956 278 D HN 0.498 nan 8.370 nan 0.000 0.448 279 A N 0.460 123.324 122.820 0.074 0.000 1.902 279 A HA -0.186 4.086 4.320 -0.079 0.000 0.217 279 A C 2.100 179.774 177.584 0.150 0.000 1.181 279 A CA 1.042 53.132 52.037 0.090 0.000 0.623 279 A CB -0.887 18.162 19.000 0.082 0.000 0.818 279 A HN 0.212 nan 8.150 nan 0.000 0.443 280 F N 0.834 120.768 119.950 -0.026 0.000 2.102 280 F HA -0.159 4.321 4.527 -0.080 0.000 0.298 280 F C 2.383 178.128 175.800 -0.091 0.000 1.105 280 F CA 2.037 59.990 58.000 -0.078 0.000 1.239 280 F CB -0.860 37.987 39.000 -0.256 0.000 0.991 280 F HN 0.379 nan 8.300 nan 0.000 0.474 281 Q N 0.624 120.340 119.800 -0.140 0.000 2.124 281 Q HA -0.239 4.054 4.340 -0.079 0.000 0.202 281 Q C 2.026 177.948 176.000 -0.131 0.000 0.977 281 Q CA 2.046 57.710 55.803 -0.232 0.000 0.850 281 Q CB -0.508 28.137 28.738 -0.155 0.000 0.901 281 Q HN 0.398 nan 8.270 nan 0.000 0.429 282 E N -0.049 120.122 120.200 -0.048 0.000 2.204 282 E HA -0.123 4.179 4.350 -0.079 0.000 0.194 282 E C 1.288 177.889 176.600 0.002 0.000 0.989 282 E CA 1.330 57.720 56.400 -0.017 0.000 0.824 282 E CB 0.113 29.817 29.700 0.007 0.000 0.756 282 E HN 0.472 nan 8.360 nan 0.000 0.477 283 K N -0.726 119.681 120.400 0.013 0.000 2.099 283 K HA 0.017 4.290 4.320 -0.079 0.000 0.203 283 K C 2.048 178.689 176.600 0.067 0.000 1.047 283 K CA 1.175 57.489 56.287 0.045 0.000 0.963 283 K CB 0.132 32.680 32.500 0.079 0.000 0.759 283 K HN 0.173 nan 8.250 nan 0.000 0.451 284 V N -1.636 118.253 119.914 -0.041 0.000 3.174 284 V HA 0.120 4.192 4.120 -0.079 0.000 0.254 284 V C -0.115 175.917 176.094 -0.104 0.000 1.120 284 V CA -0.143 62.128 62.300 -0.049 0.000 1.114 284 V CB -0.303 31.421 31.823 -0.164 0.000 0.756 284 V HN 0.164 nan 8.190 nan 0.000 0.467 285 K N 1.446 121.763 120.400 -0.137 0.000 3.653 285 K HA -0.138 4.135 4.320 -0.079 0.000 0.275 285 K C 0.485 176.981 176.600 -0.174 0.000 0.962 285 K CA 1.051 57.252 56.287 -0.144 0.000 0.773 285 K CB -2.083 30.349 32.500 -0.113 0.000 1.463 285 K HN 0.920 nan 8.250 nan 0.000 0.450 286 G N 0.445 109.117 108.800 -0.213 0.000 2.420 286 G HA2 0.254 4.166 3.960 -0.079 0.000 0.284 286 G HA3 0.254 4.166 3.960 -0.079 0.000 0.284 286 G C 1.027 175.792 174.900 -0.225 0.000 1.177 286 G CA -0.384 44.598 45.100 -0.196 0.000 0.841 286 G HN 0.289 nan 8.290 nan 0.000 0.527 287 K N 0.167 120.419 120.400 -0.248 0.000 2.057 287 K HA -0.025 4.247 4.320 -0.079 0.000 0.207 287 K C -0.420 175.768 176.600 -0.687 0.000 1.049 287 K CA 1.043 57.057 56.287 -0.454 0.000 0.931 287 K CB -0.103 32.132 32.500 -0.442 0.000 0.714 287 K HN 0.491 nan 8.250 nan 0.000 0.440 288 Y N -0.228 119.990 120.300 -0.136 0.000 2.421 288 Y HA 0.405 4.907 4.550 -0.079 0.000 0.339 288 Y C -0.370 175.422 175.900 -0.180 0.000 0.996 288 Y CA -1.113 56.895 58.100 -0.152 0.000 1.046 288 Y CB 1.872 40.235 38.460 -0.161 0.000 1.226 288 Y HN -0.137 nan 8.280 nan 0.000 0.445 289 M N 2.859 122.442 119.600 -0.028 0.000 2.457 289 M HA 0.675 5.108 4.480 -0.079 0.000 0.300 289 M C -1.101 175.140 176.300 -0.097 0.000 1.141 289 M CA -0.549 54.679 55.300 -0.120 0.000 0.901 289 M CB 2.364 34.845 32.600 -0.197 0.000 1.687 289 M HN 0.664 nan 8.290 nan 0.000 0.449 290 T N 1.217 115.701 114.554 -0.117 0.000 2.982 290 T HA 0.832 5.135 4.350 -0.079 0.000 0.321 290 T C -1.330 173.333 174.700 -0.061 0.000 1.229 290 T CA -0.780 61.266 62.100 -0.090 0.000 1.044 290 T CB 2.298 71.098 68.868 -0.114 0.000 1.184 290 T HN 0.797 nan 8.240 nan 0.000 0.477 291 A N 1.805 124.631 122.820 0.011 0.000 2.437 291 A HA 0.785 5.057 4.320 -0.079 0.000 0.293 291 A C -0.639 177.006 177.584 0.101 0.000 1.038 291 A CA -0.761 51.344 52.037 0.114 0.000 0.708 291 A CB 1.516 20.703 19.000 0.312 0.000 1.251 291 A HN 0.678 nan 8.150 nan 0.000 0.409 292 T N 2.542 117.173 114.554 0.129 0.000 2.881 292 T HA 0.500 4.802 4.350 -0.079 0.000 0.291 292 T C -1.094 173.684 174.700 0.130 0.000 0.990 292 T CA -0.276 61.887 62.100 0.104 0.000 0.976 292 T CB 1.097 70.039 68.868 0.123 0.000 0.970 292 T HN 0.715 nan 8.240 nan 0.000 0.438 293 L N 5.345 126.620 121.223 0.086 0.000 2.282 293 L HA 0.789 5.082 4.340 -0.079 0.000 0.288 293 L C -0.999 175.956 176.870 0.141 0.000 1.033 293 L CA -0.277 54.618 54.840 0.091 0.000 0.807 293 L CB 0.895 42.960 42.059 0.010 0.000 1.209 293 L HN 0.454 nan 8.230 nan 0.000 0.423 294 V N 3.288 123.318 119.914 0.193 0.000 2.823 294 V HA 0.450 4.522 4.120 -0.079 0.000 0.312 294 V C -0.045 176.199 176.094 0.250 0.000 1.072 294 V CA -0.783 61.641 62.300 0.207 0.000 0.937 294 V CB 1.969 33.901 31.823 0.181 0.000 1.013 294 V HN 0.781 nan 8.190 nan 0.000 0.430 295 S N 2.664 118.490 115.700 0.209 0.000 2.414 295 S HA 0.352 4.775 4.470 -0.079 0.000 0.290 295 S C 1.352 175.997 174.600 0.075 0.000 1.160 295 S CA 0.054 58.337 58.200 0.138 0.000 1.069 295 S CB 0.668 63.937 63.200 0.114 0.000 1.012 295 S HN 1.041 nan 8.310 nan 0.000 0.510 296 A N 6.385 129.223 122.820 0.030 0.000 1.948 296 A HA -0.096 4.177 4.320 -0.079 0.000 0.220 296 A C 2.155 179.748 177.584 0.015 0.000 1.177 296 A CA 1.290 53.343 52.037 0.027 0.000 0.636 296 A CB -0.289 18.709 19.000 -0.004 0.000 0.815 296 A HN 0.772 nan 8.150 nan 0.000 0.449 297 K N -0.712 119.678 120.400 -0.017 0.000 2.366 297 K HA -0.030 4.243 4.320 -0.079 0.000 0.198 297 K C 1.696 178.310 176.600 0.023 0.000 1.044 297 K CA 1.598 57.882 56.287 -0.005 0.000 0.973 297 K CB -0.249 32.233 32.500 -0.031 0.000 0.767 297 K HN 0.769 nan 8.250 nan 0.000 0.475 298 T N -5.022 109.556 114.554 0.039 0.000 2.964 298 T HA 0.242 4.545 4.350 -0.079 0.000 0.250 298 T C 1.325 176.071 174.700 0.076 0.000 0.982 298 T CA 0.687 62.820 62.100 0.055 0.000 0.959 298 T CB 0.687 69.589 68.868 0.056 0.000 1.141 298 T HN 0.188 nan 8.240 nan 0.000 0.494 299 G N 1.425 110.280 108.800 0.092 0.000 2.141 299 G HA2 -0.187 3.725 3.960 -0.079 0.000 0.231 299 G HA3 -0.187 3.725 3.960 -0.079 0.000 0.231 299 G C -0.304 174.683 174.900 0.145 0.000 0.984 299 G CA -0.020 45.148 45.100 0.114 0.000 0.660 299 G HN 0.673 nan 8.290 nan 0.000 0.525 300 E N -0.186 120.100 120.200 0.144 0.000 2.331 300 E HA 0.475 4.777 4.350 -0.079 0.000 0.272 300 E C 0.466 177.187 176.600 0.202 0.000 1.036 300 E CA -0.467 56.039 56.400 0.176 0.000 0.864 300 E CB 1.082 30.875 29.700 0.155 0.000 1.035 300 E HN 0.367 nan 8.360 nan 0.000 0.408 301 I N 4.703 125.420 120.570 0.246 0.000 2.301 301 I HA 0.003 4.126 4.170 -0.079 0.000 0.292 301 I C 0.983 177.224 176.117 0.207 0.000 1.046 301 I CA -0.001 61.429 61.300 0.218 0.000 1.282 301 I CB 0.468 38.609 38.000 0.234 0.000 1.409 301 I HN 0.490 nan 8.210 nan 0.000 0.484 302 L N 6.210 127.534 121.223 0.169 0.000 2.375 302 L HA 0.344 4.636 4.340 -0.079 0.000 0.215 302 L C 0.823 177.749 176.870 0.092 0.000 1.108 302 L CA 0.221 55.151 54.840 0.151 0.000 0.830 302 L CB -0.157 41.997 42.059 0.158 0.000 0.959 302 L HN 0.726 nan 8.230 nan 0.000 0.457 303 A N -0.944 121.906 122.820 0.051 0.000 2.565 303 A HA 0.595 4.867 4.320 -0.079 0.000 0.298 303 A C -0.789 176.766 177.584 -0.048 0.000 1.062 303 A CA -0.293 51.730 52.037 -0.022 0.000 0.723 303 A CB 1.536 20.514 19.000 -0.035 0.000 1.282 303 A HN -0.148 nan 8.150 nan 0.000 0.400 304 T N 0.479 114.966 114.554 -0.113 0.000 3.041 304 T HA 0.769 5.071 4.350 -0.079 0.000 0.321 304 T C -1.104 173.525 174.700 -0.119 0.000 1.184 304 T CA 0.346 62.363 62.100 -0.138 0.000 1.050 304 T CB 1.689 70.363 68.868 -0.324 0.000 1.159 304 T HN 1.674 nan 8.240 nan 0.000 0.469 305 T N 2.739 117.256 114.554 -0.062 0.000 2.889 305 T HA 0.697 4.999 4.350 -0.079 0.000 0.315 305 T C -1.884 172.799 174.700 -0.029 0.000 1.291 305 T CA -0.543 61.530 62.100 -0.045 0.000 1.028 305 T CB 1.784 70.632 68.868 -0.034 0.000 1.235 305 T HN 0.923 nan 8.240 nan 0.000 0.491 306 Q N 2.134 121.919 119.800 -0.025 0.000 2.553 306 Q HA 0.830 5.123 4.340 -0.079 0.000 0.293 306 Q C -1.502 174.490 176.000 -0.012 0.000 1.038 306 Q CA -1.272 54.519 55.803 -0.021 0.000 0.777 306 Q CB 1.817 30.552 28.738 -0.007 0.000 1.487 306 Q HN 0.357 nan 8.270 nan 0.000 0.426 307 R N 0.539 121.035 120.500 -0.008 0.000 2.621 307 R HA 0.526 4.819 4.340 -0.079 0.000 0.284 307 R C -2.811 173.509 176.300 0.034 0.000 0.998 307 R CA -2.080 54.016 56.100 -0.006 0.000 0.895 307 R CB 1.680 31.940 30.300 -0.066 0.000 1.195 307 R HN 0.597 nan 8.270 nan 0.000 0.450 308 P HA 0.156 nan 4.420 nan 0.000 0.270 308 P C -0.118 177.288 177.300 0.176 0.000 1.223 308 P CA 0.090 63.245 63.100 0.092 0.000 0.785 308 P CB 0.809 32.588 31.700 0.132 0.000 0.923 309 T N 0.214 114.860 114.554 0.153 0.000 2.618 309 T HA 0.813 5.115 4.350 -0.079 0.000 0.286 309 T C -1.742 172.993 174.700 0.059 0.000 1.027 309 T CA -0.591 61.569 62.100 0.100 0.000 1.063 309 T CB 0.413 69.238 68.868 -0.071 0.000 1.440 309 T HN 0.297 nan 8.240 nan 0.000 0.505 310 F N -0.480 119.378 119.950 -0.153 0.000 2.745 310 F HA 0.684 5.162 4.527 -0.080 0.000 0.316 310 F C -1.346 174.379 175.800 -0.124 0.000 1.155 310 F CA -1.211 56.645 58.000 -0.240 0.000 0.937 310 F CB 0.762 39.466 39.000 -0.494 0.000 1.361 310 F HN 0.387 nan 8.300 nan 0.000 0.472 311 D N 1.142 121.598 120.400 0.093 0.000 2.396 311 D HA 0.413 5.006 4.640 -0.079 0.000 0.225 311 D C 0.974 177.370 176.300 0.160 0.000 1.121 311 D CA 0.189 54.212 54.000 0.037 0.000 0.853 311 D CB 1.848 42.678 40.800 0.050 0.000 1.043 311 D HN 0.858 nan 8.370 nan 0.000 0.500 312 A N 3.868 126.695 122.820 0.011 0.000 2.024 312 A HA -0.221 4.051 4.320 -0.079 0.000 0.220 312 A C 1.752 179.317 177.584 -0.033 0.000 1.164 312 A CA 1.656 53.671 52.037 -0.036 0.000 0.643 312 A CB -0.059 18.666 19.000 -0.457 0.000 0.806 312 A HN 0.601 nan 8.150 nan 0.000 0.451 313 D N -1.304 119.155 120.400 0.099 0.000 2.197 313 D HA -0.079 4.513 4.640 -0.079 0.000 0.212 313 D C 2.086 178.466 176.300 0.133 0.000 0.963 313 D CA 1.852 55.967 54.000 0.191 0.000 0.864 313 D CB 0.005 40.906 40.800 0.169 0.000 1.009 313 D HN 0.441 nan 8.370 nan 0.000 0.479 314 T N -2.529 112.082 114.554 0.095 0.000 3.107 314 T HA 0.120 4.423 4.350 -0.079 0.000 0.249 314 T C 0.772 175.508 174.700 0.059 0.000 1.096 314 T CA -0.124 62.017 62.100 0.069 0.000 1.012 314 T CB 0.063 68.962 68.868 0.051 0.000 0.977 314 T HN -0.046 nan 8.240 nan 0.000 0.527 315 K N 0.537 120.984 120.400 0.078 0.000 3.193 315 K HA -0.192 4.081 4.320 -0.079 0.000 0.294 315 K C 0.088 176.685 176.600 -0.005 0.000 1.185 315 K CA 0.944 57.255 56.287 0.041 0.000 0.866 315 K CB -1.941 30.569 32.500 0.018 0.000 1.227 315 K HN 0.851 nan 8.250 nan 0.000 0.467 316 E N -0.029 120.184 120.200 0.021 0.000 2.383 316 E HA 0.274 4.577 4.350 -0.079 0.000 0.264 316 E C 1.337 177.915 176.600 -0.036 0.000 1.050 316 E CA 0.956 57.351 56.400 -0.009 0.000 0.896 316 E CB 0.327 30.031 29.700 0.007 0.000 0.982 316 E HN 0.321 nan 8.360 nan 0.000 0.424 317 G N 4.015 112.764 108.800 -0.084 0.000 2.258 317 G HA2 -0.268 3.645 3.960 -0.079 0.000 0.233 317 G HA3 -0.268 3.645 3.960 -0.079 0.000 0.233 317 G C 0.448 175.134 174.900 -0.358 0.000 1.006 317 G CA 0.137 45.153 45.100 -0.140 0.000 0.620 317 G HN 0.585 nan 8.290 nan 0.000 0.511 318 I N 3.890 124.193 120.570 -0.445 0.000 2.366 318 I HA 0.212 4.335 4.170 -0.079 0.000 0.302 318 I C 1.659 177.636 176.117 -0.233 0.000 1.194 318 I CA 0.478 61.385 61.300 -0.656 0.000 1.667 318 I CB -0.582 37.098 38.000 -0.534 0.000 1.501 318 I HN 0.407 nan 8.210 nan 0.000 0.776 319 T N -0.407 114.073 114.554 -0.124 0.000 2.753 319 T HA 0.097 4.399 4.350 -0.079 0.000 0.309 319 T C 1.027 175.774 174.700 0.079 0.000 1.043 319 T CA -0.359 61.742 62.100 0.002 0.000 0.964 319 T CB 1.269 70.151 68.868 0.023 0.000 1.206 319 T HN 0.363 nan 8.240 nan 0.000 0.528 320 E N -0.133 120.110 120.200 0.071 0.000 2.285 320 E HA -0.017 4.286 4.350 -0.079 0.000 0.194 320 E C 0.762 177.420 176.600 0.098 0.000 0.997 320 E CA 0.761 57.213 56.400 0.085 0.000 0.845 320 E CB -0.273 29.459 29.700 0.054 0.000 0.782 320 E HN 0.607 nan 8.360 nan 0.000 0.491 321 D N -0.164 120.291 120.400 0.090 0.000 2.491 321 D HA 0.006 4.599 4.640 -0.079 0.000 0.228 321 D C -0.749 175.604 176.300 0.089 0.000 1.183 321 D CA -0.173 53.870 54.000 0.071 0.000 0.827 321 D CB -0.230 40.594 40.800 0.041 0.000 0.989 321 D HN 0.096 nan 8.370 nan 0.000 0.494 322 F N 2.016 121.932 119.950 -0.057 0.000 2.404 322 F HA 0.204 4.684 4.527 -0.078 0.000 0.358 322 F C -0.093 175.598 175.800 -0.181 0.000 1.120 322 F CA -0.779 57.125 58.000 -0.160 0.000 1.144 322 F CB 0.780 39.615 39.000 -0.275 0.000 1.133 322 F HN -0.332 nan 8.300 nan 0.000 0.495 323 V N 7.204 126.655 119.914 -0.772 0.000 2.546 323 V HA -0.063 4.010 4.120 -0.079 0.000 0.284 323 V C -0.142 175.402 176.094 -0.917 0.000 1.050 323 V CA -0.305 61.661 62.300 -0.557 0.000 0.981 323 V CB 1.119 32.760 31.823 -0.303 0.000 0.990 323 V HN 0.914 nan 8.190 nan 0.000 0.474 324 W N 3.448 124.533 121.300 -0.357 0.000 3.400 324 W HA 0.250 4.862 4.660 -0.080 0.000 0.347 324 W C 1.166 177.605 176.519 -0.133 0.000 1.218 324 W CA -0.661 56.556 57.345 -0.213 0.000 1.837 324 W CB 0.036 29.470 29.460 -0.042 0.000 1.067 324 W HN 0.531 nan 8.180 nan 0.000 0.701 325 R N 0.537 120.994 120.500 -0.072 0.000 2.357 325 R HA 0.251 4.543 4.340 -0.079 0.000 0.296 325 R C -0.216 175.983 176.300 -0.169 0.000 1.052 325 R CA -0.556 55.477 56.100 -0.112 0.000 0.988 325 R CB 0.931 31.119 30.300 -0.186 0.000 1.025 325 R HN -0.171 nan 8.270 nan 0.000 0.469 326 D N 3.730 124.000 120.400 -0.218 0.000 2.280 326 D HA 0.110 4.702 4.640 -0.079 0.000 0.243 326 D C 1.145 177.263 176.300 -0.303 0.000 1.129 326 D CA -0.487 53.402 54.000 -0.185 0.000 0.848 326 D CB 0.961 41.704 40.800 -0.094 0.000 1.107 326 D HN 0.706 nan 8.370 nan 0.000 0.471 327 I N 3.482 123.930 120.570 -0.203 0.000 2.264 327 I HA -0.264 3.858 4.170 -0.079 0.000 0.248 327 I C 2.306 178.338 176.117 -0.141 0.000 1.111 327 I CA 0.444 61.602 61.300 -0.237 0.000 1.382 327 I CB -0.180 37.691 38.000 -0.215 0.000 1.060 327 I HN 0.409 nan 8.210 nan 0.000 0.418 328 L N 1.126 122.341 121.223 -0.012 0.000 2.081 328 L HA -0.240 4.053 4.340 -0.079 0.000 0.212 328 L C 1.912 178.920 176.870 0.231 0.000 1.080 328 L CA 2.072 56.990 54.840 0.130 0.000 0.754 328 L CB -0.408 41.778 42.059 0.212 0.000 0.893 328 L HN 0.568 nan 8.230 nan 0.000 0.433 329 Y N -4.507 115.836 120.300 0.073 0.000 2.729 329 Y HA 0.426 4.928 4.550 -0.079 0.000 0.266 329 Y C 1.023 176.989 175.900 0.110 0.000 1.064 329 Y CA -0.599 57.566 58.100 0.109 0.000 1.251 329 Y CB -0.819 37.764 38.460 0.205 0.000 1.379 329 Y HN 0.155 nan 8.280 nan 0.000 0.569 330 Q N 0.947 120.459 119.800 -0.480 0.000 2.157 330 Q HA 0.456 4.748 4.340 -0.079 0.000 0.229 330 Q C -0.578 174.674 176.000 -1.247 0.000 0.827 330 Q CA -0.104 55.267 55.803 -0.719 0.000 1.055 330 Q CB 1.183 29.552 28.738 -0.615 0.000 1.157 330 Q HN 0.232 nan 8.270 nan 0.000 0.482 331 S N 0.923 116.209 115.700 -0.690 0.000 2.571 331 S HA 0.414 4.836 4.470 -0.079 0.000 0.284 331 S C -0.853 173.702 174.600 -0.075 0.000 1.128 331 S CA -0.907 56.996 58.200 -0.495 0.000 0.970 331 S CB 1.296 64.274 63.200 -0.370 0.000 1.039 331 S HN 0.159 nan 8.310 nan 0.000 0.485 332 N N 2.562 121.285 118.700 0.038 0.000 2.421 332 N HA 0.587 5.279 4.740 -0.079 0.000 0.285 332 N C -1.143 174.484 175.510 0.196 0.000 1.027 332 N CA -0.301 52.846 53.050 0.163 0.000 0.918 332 N CB 1.189 39.781 38.487 0.173 0.000 1.152 332 N HN 0.732 nan 8.380 nan 0.000 0.485 333 Y N -1.948 118.340 120.300 -0.020 0.000 2.544 333 Y HA 0.408 4.911 4.550 -0.079 0.000 0.342 333 Y C -0.548 175.332 175.900 -0.034 0.000 1.062 333 Y CA -1.296 56.788 58.100 -0.027 0.000 1.023 333 Y CB 0.585 39.025 38.460 -0.033 0.000 1.308 333 Y HN 0.284 nan 8.280 nan 0.000 0.457 334 E N 4.928 125.094 120.200 -0.056 0.000 2.383 334 E HA 0.076 4.378 4.350 -0.079 0.000 0.257 334 E C -1.933 174.621 176.600 -0.076 0.000 1.079 334 E CA -1.333 54.988 56.400 -0.132 0.000 0.934 334 E CB 0.692 30.403 29.700 0.017 0.000 0.978 334 E HN 0.526 nan 8.360 nan 0.000 0.462 335 P HA -0.179 nan 4.420 nan 0.000 0.215 335 P C 0.704 178.081 177.300 0.128 0.000 1.153 335 P CA 1.465 64.545 63.100 -0.034 0.000 0.853 335 P CB 0.175 31.767 31.700 -0.180 0.000 0.788 336 G N -1.060 107.769 108.800 0.048 0.000 2.527 336 G HA2 -0.230 3.683 3.960 -0.079 0.000 0.227 336 G HA3 -0.230 3.683 3.960 -0.079 0.000 0.227 336 G C 1.004 176.003 174.900 0.164 0.000 1.291 336 G CA 0.327 45.493 45.100 0.110 0.000 0.904 336 G HN 0.303 nan 8.290 nan 0.000 0.577 337 S N -0.049 115.727 115.700 0.127 0.000 2.522 337 S HA 0.355 4.778 4.470 -0.079 0.000 0.227 337 S C 2.463 177.152 174.600 0.149 0.000 0.986 337 S CA 1.460 59.727 58.200 0.112 0.000 0.929 337 S CB -0.007 63.174 63.200 -0.032 0.000 0.769 337 S HN 2.071 nan 8.310 nan 0.000 0.529 338 A N 1.215 124.167 122.820 0.220 0.000 2.015 338 A HA 0.117 4.390 4.320 -0.079 0.000 0.219 338 A C 1.705 179.501 177.584 0.354 0.000 1.163 338 A CA 0.869 53.084 52.037 0.297 0.000 0.646 338 A CB -0.987 18.276 19.000 0.439 0.000 0.806 338 A HN 0.540 nan 8.150 nan 0.000 0.448 339 F N 0.699 120.732 119.950 0.139 0.000 2.408 339 F HA -0.074 4.405 4.527 -0.079 0.000 0.300 339 F C 1.865 177.712 175.800 0.078 0.000 1.090 339 F CA 1.350 59.374 58.000 0.040 0.000 1.427 339 F CB -0.122 38.837 39.000 -0.068 0.000 1.070 339 F HN 0.154 nan 8.300 nan 0.000 0.549 340 K N -0.580 119.953 120.400 0.221 0.000 2.360 340 K HA -0.131 4.142 4.320 -0.079 0.000 0.201 340 K C 1.996 178.743 176.600 0.245 0.000 1.046 340 K CA 0.982 57.389 56.287 0.200 0.000 0.940 340 K CB -0.234 32.380 32.500 0.189 0.000 0.748 340 K HN 0.174 nan 8.250 nan 0.000 0.465 341 V N 0.833 120.886 119.914 0.230 0.000 2.295 341 V HA -0.282 3.790 4.120 -0.079 0.000 0.246 341 V C 2.077 178.126 176.094 -0.076 0.000 1.049 341 V CA 1.699 64.111 62.300 0.186 0.000 1.024 341 V CB -0.279 31.710 31.823 0.277 0.000 0.648 341 V HN 0.316 nan 8.190 nan 0.000 0.447 342 M N -1.440 117.988 119.600 -0.288 0.000 2.229 342 M HA -0.098 4.334 4.480 -0.079 0.000 0.264 342 M C 1.981 178.180 176.300 -0.169 0.000 1.063 342 M CA 1.785 56.797 55.300 -0.480 0.000 1.114 342 M CB -0.714 31.234 32.600 -1.087 0.000 1.387 342 M HN 0.359 nan 8.290 nan 0.000 0.420 343 M N -0.285 119.220 119.600 -0.157 0.000 2.099 343 M HA -0.111 4.321 4.480 -0.079 0.000 0.262 343 M C 1.828 177.941 176.300 -0.312 0.000 1.067 343 M CA 1.642 56.746 55.300 -0.327 0.000 1.124 343 M CB -0.640 31.715 32.600 -0.408 0.000 1.353 343 M HN 0.259 nan 8.290 nan 0.000 0.410 344 L N 0.575 121.624 121.223 -0.290 0.000 1.994 344 L HA -0.016 4.277 4.340 -0.079 0.000 0.208 344 L C 2.350 178.930 176.870 -0.484 0.000 1.071 344 L CA 2.417 56.950 54.840 -0.510 0.000 0.745 344 L CB -1.521 40.071 42.059 -0.780 0.000 0.892 344 L HN 0.355 nan 8.230 nan 0.000 0.431 345 A N -0.471 122.164 122.820 -0.309 0.000 1.908 345 A HA -0.154 4.119 4.320 -0.079 0.000 0.218 345 A C 2.434 179.909 177.584 -0.183 0.000 1.181 345 A CA 2.121 54.047 52.037 -0.185 0.000 0.627 345 A CB -1.217 17.788 19.000 0.007 0.000 0.818 345 A HN 0.626 nan 8.150 nan 0.000 0.445 346 A N -0.408 122.292 122.820 -0.201 0.000 1.929 346 A HA 0.250 4.523 4.320 -0.079 0.000 0.216 346 A C 2.484 179.744 177.584 -0.540 0.000 1.176 346 A CA 1.813 53.510 52.037 -0.567 0.000 0.628 346 A CB -0.920 17.820 19.000 -0.433 0.000 0.816 346 A HN 1.025 nan 8.150 nan 0.000 0.444 347 A N 0.135 122.738 122.820 -0.362 0.000 1.902 347 A HA -0.088 4.185 4.320 -0.079 0.000 0.217 347 A C 2.116 179.602 177.584 -0.163 0.000 1.181 347 A CA 1.563 53.448 52.037 -0.254 0.000 0.623 347 A CB -0.588 18.258 19.000 -0.257 0.000 0.818 347 A HN 0.495 nan 8.150 nan 0.000 0.443 348 I N -0.562 119.869 120.570 -0.231 0.000 2.202 348 I HA -0.231 3.891 4.170 -0.079 0.000 0.242 348 I C 2.292 178.370 176.117 -0.066 0.000 1.091 348 I CA 1.890 63.118 61.300 -0.120 0.000 1.368 348 I CB -0.477 37.396 38.000 -0.212 0.000 1.058 348 I HN 0.391 nan 8.210 nan 0.000 0.410 349 D N 1.075 121.417 120.400 -0.097 0.000 2.149 349 D HA -0.269 4.323 4.640 -0.079 0.000 0.198 349 D C 1.803 178.138 176.300 0.058 0.000 0.990 349 D CA 1.339 55.332 54.000 -0.011 0.000 0.839 349 D CB -0.098 40.718 40.800 0.026 0.000 0.948 349 D HN 0.138 nan 8.370 nan 0.000 0.460 350 N N 0.189 118.909 118.700 0.034 0.000 2.461 350 N HA -0.069 4.623 4.740 -0.079 0.000 0.188 350 N C -0.328 175.216 175.510 0.056 0.000 1.134 350 N CA 0.356 53.476 53.050 0.116 0.000 0.878 350 N CB -0.320 38.252 38.487 0.141 0.000 0.972 350 N HN 0.240 nan 8.380 nan 0.000 0.456 351 N N -0.821 117.896 118.700 0.028 0.000 2.735 351 N HA -0.184 4.509 4.740 -0.079 0.000 0.248 351 N C -1.086 174.429 175.510 0.009 0.000 1.083 351 N CA 0.938 54.002 53.050 0.023 0.000 0.703 351 N CB -1.187 37.313 38.487 0.022 0.000 1.005 351 N HN 0.366 nan 8.380 nan 0.000 0.550 352 T N -1.904 112.651 114.554 0.002 0.000 3.448 352 T HA 0.292 4.594 4.350 -0.079 0.000 0.271 352 T C -0.634 174.035 174.700 -0.051 0.000 1.002 352 T CA -0.474 61.601 62.100 -0.041 0.000 0.995 352 T CB -0.249 68.590 68.868 -0.049 0.000 1.153 352 T HN 0.279 nan 8.240 nan 0.000 0.510 353 F N 3.915 123.745 119.950 -0.200 0.000 2.451 353 F HA 0.466 4.946 4.527 -0.079 0.000 0.367 353 F C -2.488 173.207 175.800 -0.176 0.000 1.100 353 F CA -2.765 55.089 58.000 -0.242 0.000 1.171 353 F CB 1.761 40.643 39.000 -0.196 0.000 1.405 353 F HN -0.026 nan 8.300 nan 0.000 0.482 354 P HA 0.201 nan 4.420 nan 0.000 0.231 354 P C 1.111 178.077 177.300 -0.556 0.000 1.811 354 P CA 0.104 62.961 63.100 -0.405 0.000 1.051 354 P CB 0.555 32.126 31.700 -0.214 0.000 1.951 355 G N 2.588 110.811 108.800 -0.962 0.000 2.596 355 G HA2 -0.305 3.608 3.960 -0.079 0.000 0.223 355 G HA3 -0.305 3.608 3.960 -0.079 0.000 0.223 355 G C 1.407 176.149 174.900 -0.265 0.000 1.120 355 G CA 0.994 45.583 45.100 -0.853 0.000 0.752 355 G HN 0.506 nan 8.290 nan 0.000 0.596 356 G N -0.501 108.205 108.800 -0.157 0.000 2.838 356 G HA2 0.201 4.113 3.960 -0.079 0.000 0.210 356 G HA3 0.201 4.113 3.960 -0.079 0.000 0.210 356 G C 0.570 175.458 174.900 -0.019 0.000 1.153 356 G CA 0.258 45.319 45.100 -0.065 0.000 0.778 356 G HN 0.540 nan 8.290 nan 0.000 0.539 357 E N 0.668 120.886 120.200 0.029 0.000 2.413 357 E HA 0.256 4.558 4.350 -0.079 0.000 0.263 357 E C -0.535 176.127 176.600 0.104 0.000 1.015 357 E CA -0.331 56.134 56.400 0.109 0.000 0.916 357 E CB 0.859 30.685 29.700 0.210 0.000 0.947 357 E HN -0.071 nan 8.360 nan 0.000 0.440 358 V N 5.626 125.549 119.914 0.015 0.000 2.481 358 V HA 0.365 4.437 4.120 -0.079 0.000 0.286 358 V C -0.195 175.829 176.094 -0.115 0.000 1.042 358 V CA -0.329 61.907 62.300 -0.107 0.000 0.928 358 V CB 0.531 32.279 31.823 -0.125 0.000 0.986 358 V HN 0.570 nan 8.190 nan 0.000 0.462 359 F N 2.255 121.949 119.950 -0.426 0.000 2.611 359 F HA 0.638 5.117 4.527 -0.079 0.000 0.324 359 F C -0.543 175.110 175.800 -0.245 0.000 1.061 359 F CA -1.297 56.465 58.000 -0.398 0.000 0.954 359 F CB 1.626 40.151 39.000 -0.791 0.000 1.301 359 F HN 0.354 nan 8.300 nan 0.000 0.482 360 N N 1.006 119.625 118.700 -0.135 0.000 2.422 360 N HA 0.127 4.820 4.740 -0.079 0.000 0.266 360 N C 0.153 175.644 175.510 -0.032 0.000 1.007 360 N CA 0.140 53.085 53.050 -0.176 0.000 0.941 360 N CB 1.706 40.166 38.487 -0.045 0.000 1.115 360 N HN 0.836 nan 8.380 nan 0.000 0.492 361 S N 1.282 116.883 115.700 -0.165 0.000 2.803 361 S HA 0.093 4.516 4.470 -0.079 0.000 0.228 361 S C 0.329 174.975 174.600 0.078 0.000 0.953 361 S CA -0.501 57.745 58.200 0.076 0.000 0.983 361 S CB -0.309 62.902 63.200 0.017 0.000 0.784 361 S HN 0.352 nan 8.310 nan 0.000 0.498 362 S N 2.377 118.107 115.700 0.051 0.000 2.564 362 S HA 0.147 4.570 4.470 -0.079 0.000 0.278 362 S C 0.195 174.835 174.600 0.067 0.000 1.333 362 S CA -0.502 57.727 58.200 0.047 0.000 1.048 362 S CB 0.526 63.744 63.200 0.030 0.000 0.900 362 S HN 0.688 nan 8.310 nan 0.000 0.505 363 E N 1.250 121.485 120.200 0.058 0.000 2.760 363 E HA -0.075 4.227 4.350 -0.079 0.000 0.268 363 E C -0.876 175.761 176.600 0.062 0.000 0.935 363 E CA 0.454 56.889 56.400 0.059 0.000 0.960 363 E CB 0.236 29.965 29.700 0.049 0.000 0.931 363 E HN 0.377 nan 8.360 nan 0.000 0.483 364 L N 3.932 125.196 121.223 0.068 0.000 2.330 364 L HA 0.488 4.780 4.340 -0.079 0.000 0.271 364 L C -0.224 176.689 176.870 0.071 0.000 1.013 364 L CA -1.086 53.798 54.840 0.073 0.000 0.816 364 L CB 1.564 43.674 42.059 0.085 0.000 1.287 364 L HN 0.323 nan 8.230 nan 0.000 0.435 365 K N 3.505 123.945 120.400 0.066 0.000 2.270 365 K HA 0.665 4.937 4.320 -0.079 0.000 0.255 365 K C -0.979 175.661 176.600 0.066 0.000 0.936 365 K CA -0.329 55.995 56.287 0.063 0.000 0.809 365 K CB 2.563 35.094 32.500 0.050 0.000 1.131 365 K HN 0.481 nan 8.250 nan 0.000 0.427 366 I N 1.289 121.901 120.570 0.070 0.000 2.531 366 I HA 0.176 4.298 4.170 -0.079 0.000 0.283 366 I C -0.053 176.100 176.117 0.061 0.000 1.083 366 I CA -0.751 60.590 61.300 0.068 0.000 1.071 366 I CB 1.775 39.824 38.000 0.082 0.000 1.210 366 I HN 0.760 nan 8.210 nan 0.000 0.450 367 A N 5.807 128.657 122.820 0.050 0.000 2.560 367 A HA -0.215 4.058 4.320 -0.079 0.000 0.299 367 A C 1.120 178.729 177.584 0.043 0.000 1.484 367 A CA 1.360 53.423 52.037 0.043 0.000 0.749 367 A CB -1.289 17.736 19.000 0.043 0.000 1.072 367 A HN 1.355 nan 8.150 nan 0.000 0.426 368 D N -4.340 116.085 120.400 0.042 0.000 2.792 368 D HA -0.061 4.532 4.640 -0.079 0.000 0.192 368 D C 0.005 176.333 176.300 0.047 0.000 1.007 368 D CA 2.490 56.514 54.000 0.040 0.000 1.020 368 D CB -2.007 38.813 40.800 0.032 0.000 1.089 368 D HN 2.218 nan 8.370 nan 0.000 0.438 369 A N -0.643 122.213 122.820 0.059 0.000 2.279 369 A HA 0.711 4.983 4.320 -0.079 0.000 0.303 369 A C 0.279 177.911 177.584 0.080 0.000 1.108 369 A CA 0.409 52.491 52.037 0.075 0.000 0.830 369 A CB 1.294 20.348 19.000 0.091 0.000 1.106 369 A HN 0.272 nan 8.150 nan 0.000 0.493 370 T N 1.280 115.885 114.554 0.086 0.000 2.863 370 T HA 0.606 4.908 4.350 -0.079 0.000 0.285 370 T C -0.606 174.156 174.700 0.103 0.000 1.009 370 T CA -0.004 62.144 62.100 0.080 0.000 0.989 370 T CB 0.715 69.615 68.868 0.054 0.000 1.004 370 T HN 0.428 nan 8.240 nan 0.000 0.455 371 I N 3.874 124.501 120.570 0.096 0.000 2.447 371 I HA 0.536 4.659 4.170 -0.079 0.000 0.287 371 I C -0.070 176.068 176.117 0.036 0.000 1.023 371 I CA -0.886 60.464 61.300 0.082 0.000 1.083 371 I CB 1.564 39.646 38.000 0.137 0.000 1.245 371 I HN 0.573 nan 8.210 nan 0.000 0.434 372 R N 2.856 123.370 120.500 0.023 0.000 2.836 372 R HA 0.651 4.944 4.340 -0.079 0.000 0.269 372 R C -1.713 174.656 176.300 0.114 0.000 1.010 372 R CA -0.974 55.167 56.100 0.068 0.000 0.930 372 R CB 1.716 32.067 30.300 0.086 0.000 1.218 372 R HN 0.195 nan 8.270 nan 0.000 0.473 373 D N 1.716 122.179 120.400 0.105 0.000 2.256 373 D HA 0.406 4.999 4.640 -0.079 0.000 0.250 373 D C -0.624 175.792 176.300 0.193 0.000 1.093 373 D CA 0.288 54.324 54.000 0.059 0.000 0.882 373 D CB 0.749 41.581 40.800 0.053 0.000 1.185 373 D HN 0.504 nan 8.370 nan 0.000 0.437 374 W N 0.687 121.939 121.300 -0.080 0.000 3.153 374 W HA 0.498 5.111 4.660 -0.079 0.000 0.316 374 W C -1.841 174.629 176.519 -0.083 0.000 1.255 374 W CA -0.888 56.421 57.345 -0.061 0.000 1.192 374 W CB 0.773 30.199 29.460 -0.057 0.000 1.400 374 W HN 0.250 nan 8.180 nan 0.000 0.568 375 D N 0.004 120.461 120.400 0.095 0.000 2.619 375 D HA 0.450 5.042 4.640 -0.079 0.000 0.241 375 D C 0.533 176.943 176.300 0.182 0.000 1.087 375 D CA -0.727 53.231 54.000 -0.071 0.000 0.851 375 D CB 3.022 43.795 40.800 -0.044 0.000 1.474 375 D HN 0.078 nan 8.370 nan 0.000 0.478 376 V N 2.931 122.898 119.914 0.088 0.000 2.720 376 V HA -0.108 3.964 4.120 -0.079 0.000 0.256 376 V C 1.622 177.822 176.094 0.177 0.000 1.082 376 V CA 1.440 63.864 62.300 0.205 0.000 1.101 376 V CB -0.662 31.253 31.823 0.153 0.000 0.693 376 V HN 0.592 nan 8.190 nan 0.000 0.479 377 N N 0.233 119.003 118.700 0.118 0.000 2.591 377 N HA -0.022 4.671 4.740 -0.079 0.000 0.200 377 N C 1.734 177.299 175.510 0.092 0.000 1.040 377 N CA 0.910 54.019 53.050 0.098 0.000 0.911 377 N CB 0.217 38.744 38.487 0.068 0.000 1.259 377 N HN 0.505 nan 8.380 nan 0.000 0.438 378 E N 0.170 120.421 120.200 0.085 0.000 2.427 378 E HA 0.185 4.488 4.350 -0.079 0.000 0.196 378 E C 1.058 177.718 176.600 0.100 0.000 1.028 378 E CA 0.396 56.845 56.400 0.080 0.000 0.864 378 E CB 0.079 29.823 29.700 0.073 0.000 0.813 378 E HN 0.436 nan 8.360 nan 0.000 0.514 379 G N 1.520 110.406 108.800 0.143 0.000 2.509 379 G HA2 -0.323 3.590 3.960 -0.079 0.000 0.256 379 G HA3 -0.323 3.590 3.960 -0.079 0.000 0.256 379 G C -0.282 174.728 174.900 0.183 0.000 1.152 379 G CA -0.369 44.824 45.100 0.156 0.000 0.951 379 G HN 0.143 nan 8.290 nan 0.000 0.559 380 L N 2.092 123.394 121.223 0.131 0.000 2.418 380 L HA 0.431 4.724 4.340 -0.079 0.000 0.274 380 L C 1.708 178.645 176.870 0.112 0.000 1.135 380 L CA 0.701 55.620 54.840 0.131 0.000 0.870 380 L CB 1.059 43.166 42.059 0.081 0.000 1.154 380 L HN 0.900 nan 8.230 nan 0.000 0.462 381 T N -1.659 112.970 114.554 0.125 0.000 3.132 381 T HA 0.224 4.527 4.350 -0.079 0.000 0.274 381 T C 0.748 175.502 174.700 0.090 0.000 1.011 381 T CA -0.061 62.103 62.100 0.106 0.000 0.899 381 T CB 0.452 69.394 68.868 0.125 0.000 1.089 381 T HN 0.580 nan 8.240 nan 0.000 0.543 382 G N 0.344 109.191 108.800 0.079 0.000 2.553 382 G HA2 0.445 4.358 3.960 -0.079 0.000 0.278 382 G HA3 0.445 4.358 3.960 -0.079 0.000 0.278 382 G C 1.101 176.017 174.900 0.027 0.000 1.349 382 G CA -0.147 44.988 45.100 0.059 0.000 1.037 382 G HN 1.183 nan 8.290 nan 0.000 0.508 383 G N -1.611 107.194 108.800 0.009 0.000 2.148 383 G HA2 -0.218 3.695 3.960 -0.079 0.000 0.254 383 G HA3 -0.218 3.695 3.960 -0.079 0.000 0.254 383 G C 0.591 175.463 174.900 -0.047 0.000 0.981 383 G CA 0.589 45.681 45.100 -0.014 0.000 0.670 383 G HN 0.674 nan 8.290 nan 0.000 0.528 384 R N -0.740 119.715 120.500 -0.076 0.000 2.782 384 R HA 0.775 5.068 4.340 -0.079 0.000 0.258 384 R C 0.334 176.497 176.300 -0.229 0.000 1.055 384 R CA -0.843 55.187 56.100 -0.116 0.000 1.065 384 R CB 0.519 30.768 30.300 -0.086 0.000 1.172 384 R HN 0.189 nan 8.270 nan 0.000 0.510 385 M N 1.738 121.201 119.600 -0.229 0.000 2.205 385 M HA 0.499 4.931 4.480 -0.079 0.000 0.344 385 M C -0.466 175.609 176.300 -0.374 0.000 1.085 385 M CA -0.088 55.016 55.300 -0.326 0.000 1.001 385 M CB 1.240 33.720 32.600 -0.201 0.000 1.626 385 M HN 0.455 nan 8.290 nan 0.000 0.442 386 M N 1.372 120.589 119.600 -0.638 0.000 2.470 386 M HA 0.309 4.742 4.480 -0.079 0.000 0.285 386 M C 0.010 176.024 176.300 -0.477 0.000 1.213 386 M CA -0.706 54.247 55.300 -0.579 0.000 0.901 386 M CB 2.931 35.154 32.600 -0.629 0.000 1.718 386 M HN 0.825 nan 8.290 nan 0.000 0.469 387 T N -1.088 113.295 114.554 -0.286 0.000 2.932 387 T HA 0.162 4.465 4.350 -0.079 0.000 0.312 387 T C 0.744 175.487 174.700 0.071 0.000 1.071 387 T CA 0.060 62.094 62.100 -0.109 0.000 1.128 387 T CB 0.349 69.161 68.868 -0.092 0.000 0.984 387 T HN 0.438 nan 8.240 nan 0.000 0.549 388 F N 1.361 121.402 119.950 0.153 0.000 2.202 388 F HA -0.047 4.433 4.527 -0.079 0.000 0.301 388 F C 3.016 178.930 175.800 0.189 0.000 1.082 388 F CA 1.653 59.736 58.000 0.137 0.000 1.313 388 F CB -0.698 38.217 39.000 -0.143 0.000 1.024 388 F HN 0.716 nan 8.300 nan 0.000 0.495 389 S N -0.580 115.267 115.700 0.246 0.000 2.383 389 S HA -0.196 4.227 4.470 -0.079 0.000 0.227 389 S C 1.946 176.693 174.600 0.245 0.000 1.026 389 S CA 1.266 59.658 58.200 0.321 0.000 0.981 389 S CB -0.166 63.132 63.200 0.163 0.000 0.818 389 S HN 0.483 nan 8.310 nan 0.000 0.472 390 Q N -0.174 119.652 119.800 0.043 0.000 2.245 390 Q HA 0.068 4.361 4.340 -0.079 0.000 0.201 390 Q C 2.302 178.318 176.000 0.026 0.000 0.955 390 Q CA 0.975 56.676 55.803 -0.171 0.000 0.870 390 Q CB -0.435 27.802 28.738 -0.834 0.000 0.945 390 Q HN 0.661 nan 8.270 nan 0.000 0.461 391 G N 0.471 109.400 108.800 0.215 0.000 2.402 391 G HA2 -0.273 3.640 3.960 -0.079 0.000 0.216 391 G HA3 -0.273 3.640 3.960 -0.079 0.000 0.216 391 G C 1.153 176.220 174.900 0.279 0.000 1.162 391 G CA 0.368 45.678 45.100 0.350 0.000 0.777 391 G HN 0.346 nan 8.290 nan 0.000 0.539 392 F N 2.431 122.493 119.950 0.186 0.000 2.134 392 F HA 0.071 4.550 4.527 -0.079 0.000 0.299 392 F C 2.742 178.610 175.800 0.113 0.000 1.097 392 F CA 1.410 59.486 58.000 0.127 0.000 1.264 392 F CB -0.241 38.830 39.000 0.119 0.000 1.001 392 F HN 0.213 nan 8.300 nan 0.000 0.479 393 A N -1.366 121.545 122.820 0.153 0.000 1.969 393 A HA -0.233 4.040 4.320 -0.079 0.000 0.218 393 A C 2.097 179.727 177.584 0.077 0.000 1.169 393 A CA 1.670 53.754 52.037 0.078 0.000 0.635 393 A CB -1.215 17.906 19.000 0.203 0.000 0.810 393 A HN 0.675 nan 8.150 nan 0.000 0.445 394 H N -0.879 118.218 119.070 0.044 0.000 2.526 394 H HA 0.158 4.666 4.556 -0.079 0.000 0.274 394 H C 0.524 175.834 175.328 -0.031 0.000 0.999 394 H CA 0.718 56.805 56.048 0.065 0.000 1.157 394 H CB 0.051 29.934 29.762 0.203 0.000 1.407 394 H HN 0.432 nan 8.280 nan 0.000 0.568 395 S N 0.917 116.522 115.700 -0.158 0.000 3.559 395 S HA -0.216 4.207 4.470 -0.079 0.000 0.369 395 S C 0.136 174.625 174.600 -0.185 0.000 0.987 395 S CA 0.611 58.674 58.200 -0.229 0.000 1.187 395 S CB -1.536 61.488 63.200 -0.293 0.000 0.914 395 S HN 0.620 nan 8.310 nan 0.000 0.480 396 S N 0.963 116.647 115.700 -0.027 0.000 2.528 396 S HA 0.353 4.776 4.470 -0.079 0.000 0.277 396 S C 1.355 175.926 174.600 -0.048 0.000 1.297 396 S CA -0.306 57.912 58.200 0.029 0.000 1.052 396 S CB 0.500 63.865 63.200 0.275 0.000 0.917 396 S HN 0.604 nan 8.310 nan 0.000 0.492 397 N N 3.904 122.505 118.700 -0.166 0.000 2.300 397 N HA -0.065 4.627 4.740 -0.079 0.000 0.179 397 N C 1.722 177.141 175.510 -0.152 0.000 1.016 397 N CA 0.875 53.735 53.050 -0.317 0.000 0.876 397 N CB -0.418 37.616 38.487 -0.755 0.000 0.979 397 N HN 0.473 nan 8.380 nan 0.000 0.432 398 V N 1.172 121.057 119.914 -0.047 0.000 2.358 398 V HA -0.114 3.959 4.120 -0.079 0.000 0.246 398 V C 2.512 178.561 176.094 -0.074 0.000 1.047 398 V CA 1.968 64.286 62.300 0.029 0.000 1.035 398 V CB -1.200 30.712 31.823 0.149 0.000 0.658 398 V HN 0.298 nan 8.190 nan 0.000 0.452 399 G N -0.164 108.500 108.800 -0.226 0.000 2.459 399 G HA2 -0.258 3.654 3.960 -0.079 0.000 0.217 399 G HA3 -0.258 3.654 3.960 -0.079 0.000 0.217 399 G C 1.534 176.333 174.900 -0.169 0.000 1.183 399 G CA 1.162 45.801 45.100 -0.768 0.000 0.776 399 G HN 0.305 nan 8.290 nan 0.000 0.552 400 M N 0.897 120.478 119.600 -0.031 0.000 2.108 400 M HA -0.066 4.367 4.480 -0.079 0.000 0.261 400 M C 2.667 178.954 176.300 -0.021 0.000 1.066 400 M CA 1.587 56.894 55.300 0.012 0.000 1.107 400 M CB -1.791 30.859 32.600 0.083 0.000 1.356 400 M HN 0.178 nan 8.290 nan 0.000 0.406 401 T N 1.366 115.951 114.554 0.052 0.000 2.746 401 T HA -0.065 4.238 4.350 -0.079 0.000 0.267 401 T C 2.083 176.788 174.700 0.007 0.000 1.039 401 T CA 1.001 63.142 62.100 0.068 0.000 1.142 401 T CB -0.294 68.669 68.868 0.159 0.000 0.866 401 T HN 0.301 nan 8.240 nan 0.000 0.444 402 L N 0.369 121.601 121.223 0.015 0.000 2.083 402 L HA -0.041 4.251 4.340 -0.079 0.000 0.209 402 L C 2.443 179.293 176.870 -0.033 0.000 1.083 402 L CA 1.049 55.921 54.840 0.052 0.000 0.752 402 L CB -0.538 41.614 42.059 0.155 0.000 0.899 402 L HN 0.265 nan 8.230 nan 0.000 0.433 403 L N -0.667 120.490 121.223 -0.110 0.000 2.083 403 L HA -0.196 4.097 4.340 -0.079 0.000 0.209 403 L C 2.742 179.489 176.870 -0.205 0.000 1.083 403 L CA 1.026 55.718 54.840 -0.248 0.000 0.752 403 L CB -0.565 41.356 42.059 -0.231 0.000 0.899 403 L HN 0.318 nan 8.230 nan 0.000 0.433 404 E N 0.113 120.181 120.200 -0.219 0.000 2.110 404 E HA -0.220 4.083 4.350 -0.079 0.000 0.193 404 E C 2.066 178.612 176.600 -0.090 0.000 0.988 404 E CA 1.168 57.416 56.400 -0.253 0.000 0.804 404 E CB 0.118 29.609 29.700 -0.347 0.000 0.745 404 E HN 0.488 nan 8.360 nan 0.000 0.458 405 Q N 0.318 120.087 119.800 -0.051 0.000 2.119 405 Q HA -0.084 4.209 4.340 -0.079 0.000 0.201 405 Q C 2.127 178.125 176.000 -0.004 0.000 0.972 405 Q CA 0.905 56.707 55.803 -0.001 0.000 0.847 405 Q CB -0.165 28.587 28.738 0.022 0.000 0.903 405 Q HN 0.292 nan 8.270 nan 0.000 0.433 406 K N 0.355 120.730 120.400 -0.041 0.000 2.097 406 K HA -0.057 4.215 4.320 -0.079 0.000 0.205 406 K C 2.084 178.674 176.600 -0.017 0.000 1.050 406 K CA 1.004 57.265 56.287 -0.044 0.000 0.938 406 K CB -0.093 32.339 32.500 -0.113 0.000 0.718 406 K HN 0.154 nan 8.250 nan 0.000 0.442 407 M N 0.008 119.600 119.600 -0.014 0.000 2.123 407 M HA -0.019 4.413 4.480 -0.079 0.000 0.263 407 M C 0.256 176.610 176.300 0.090 0.000 1.069 407 M CA 1.806 57.134 55.300 0.047 0.000 1.133 407 M CB 0.347 32.980 32.600 0.056 0.000 1.356 407 M HN 0.205 nan 8.290 nan 0.000 0.415 408 G N 0.469 109.322 108.800 0.088 0.000 2.674 408 G HA2 -0.154 3.759 3.960 -0.079 0.000 0.686 408 G HA3 -0.154 3.759 3.960 -0.079 0.000 0.686 408 G C -0.627 174.372 174.900 0.165 0.000 1.195 408 G CA -0.280 44.883 45.100 0.104 0.000 0.776 408 G HN 0.391 nan 8.290 nan 0.000 0.654 409 D N 0.590 121.079 120.400 0.149 0.000 2.084 409 D HA -0.091 4.502 4.640 -0.079 0.000 0.194 409 D C 2.861 179.272 176.300 0.184 0.000 0.990 409 D CA 2.169 56.283 54.000 0.191 0.000 0.826 409 D CB -0.464 40.416 40.800 0.133 0.000 0.971 409 D HN 0.928 nan 8.370 nan 0.000 0.453 410 A N 0.647 123.539 122.820 0.121 0.000 1.892 410 A HA -0.225 4.047 4.320 -0.079 0.000 0.218 410 A C 2.418 180.062 177.584 0.101 0.000 1.188 410 A CA 2.582 54.670 52.037 0.085 0.000 0.631 410 A CB -1.070 17.964 19.000 0.056 0.000 0.822 410 A HN 0.256 nan 8.150 nan 0.000 0.447 411 T N -1.650 112.994 114.554 0.151 0.000 2.821 411 T HA -0.153 4.150 4.350 -0.079 0.000 0.267 411 T C 1.574 176.496 174.700 0.370 0.000 1.046 411 T CA 1.043 63.260 62.100 0.195 0.000 1.139 411 T CB -0.309 68.690 68.868 0.219 0.000 0.871 411 T HN 0.735 nan 8.240 nan 0.000 0.454 412 W N 1.434 122.848 121.300 0.190 0.000 2.418 412 W HA -0.072 4.540 4.660 -0.079 0.000 0.292 412 W C 1.821 178.469 176.519 0.214 0.000 1.213 412 W CA 0.171 57.655 57.345 0.232 0.000 1.283 412 W CB -0.277 29.259 29.460 0.127 0.000 1.119 412 W HN 0.171 nan 8.180 nan 0.000 0.542 413 L N 1.926 123.143 121.223 -0.009 0.000 2.083 413 L HA -0.189 4.104 4.340 -0.079 0.000 0.209 413 L C 1.976 178.769 176.870 -0.128 0.000 1.083 413 L CA 2.785 57.524 54.840 -0.169 0.000 0.752 413 L CB -1.443 40.589 42.059 -0.045 0.000 0.899 413 L HN -0.042 nan 8.230 nan 0.000 0.433 414 D N -1.933 118.431 120.400 -0.061 0.000 2.117 414 D HA -0.278 4.315 4.640 -0.079 0.000 0.197 414 D C 1.966 178.164 176.300 -0.171 0.000 0.987 414 D CA 1.506 55.430 54.000 -0.126 0.000 0.829 414 D CB -0.190 40.508 40.800 -0.170 0.000 0.961 414 D HN 0.454 nan 8.370 nan 0.000 0.460 415 Y N 0.231 120.499 120.300 -0.052 0.000 2.293 415 Y HA -0.019 4.484 4.550 -0.079 0.000 0.291 415 Y C 2.159 178.066 175.900 0.012 0.000 1.137 415 Y CA 0.775 58.875 58.100 -0.001 0.000 1.202 415 Y CB -0.190 38.379 38.460 0.182 0.000 0.990 415 Y HN 0.068 nan 8.280 nan 0.000 0.537 416 L N -0.399 120.758 121.223 -0.110 0.000 2.131 416 L HA -0.242 4.050 4.340 -0.079 0.000 0.210 416 L C 1.950 178.907 176.870 0.146 0.000 1.092 416 L CA 1.036 55.864 54.840 -0.021 0.000 0.759 416 L CB -0.420 41.458 42.059 -0.303 0.000 0.903 416 L HN 0.284 nan 8.230 nan 0.000 0.435 417 N N 0.196 118.904 118.700 0.012 0.000 2.250 417 N HA -0.087 4.605 4.740 -0.079 0.000 0.181 417 N C 1.901 177.385 175.510 -0.043 0.000 1.017 417 N CA 0.881 53.925 53.050 -0.009 0.000 0.866 417 N CB -0.053 38.404 38.487 -0.050 0.000 0.985 417 N HN 0.305 nan 8.380 nan 0.000 0.429 418 R N -0.328 120.115 120.500 -0.096 0.000 2.120 418 R HA -0.027 4.266 4.340 -0.079 0.000 0.234 418 R C 1.274 177.427 176.300 -0.245 0.000 1.123 418 R CA 0.891 56.866 56.100 -0.209 0.000 0.975 418 R CB -0.240 29.865 30.300 -0.324 0.000 0.866 418 R HN 0.167 nan 8.270 nan 0.000 0.446 419 F N 0.743 120.641 119.950 -0.088 0.000 2.811 419 F HA 0.108 4.588 4.527 -0.079 0.000 0.301 419 F C 0.634 176.163 175.800 -0.451 0.000 1.151 419 F CA 0.392 58.254 58.000 -0.230 0.000 1.412 419 F CB 0.123 39.049 39.000 -0.122 0.000 1.113 419 F HN -0.137 nan 8.300 nan 0.000 0.579 420 K N -0.677 119.655 120.400 -0.112 0.000 3.129 420 K HA -0.227 4.045 4.320 -0.079 0.000 0.273 420 K C -0.413 176.089 176.600 -0.163 0.000 1.123 420 K CA 0.035 56.245 56.287 -0.128 0.000 0.800 420 K CB -2.097 30.328 32.500 -0.126 0.000 1.238 420 K HN 0.131 nan 8.250 nan 0.000 0.492 421 F N 0.740 120.720 119.950 0.050 0.000 2.410 421 F HA 0.309 4.789 4.527 -0.079 0.000 0.334 421 F C 1.851 177.651 175.800 -0.000 0.000 1.134 421 F CA 1.346 59.361 58.000 0.025 0.000 1.227 421 F CB 1.078 40.096 39.000 0.031 0.000 1.194 421 F HN 0.240 nan 8.300 nan 0.000 0.571 422 G N 0.763 109.680 108.800 0.196 0.000 2.175 422 G HA2 -0.178 3.735 3.960 -0.079 0.000 0.244 422 G HA3 -0.178 3.735 3.960 -0.079 0.000 0.244 422 G C -0.693 174.250 174.900 0.072 0.000 0.982 422 G CA -0.028 45.133 45.100 0.100 0.000 0.641 422 G HN 0.653 nan 8.290 nan 0.000 0.527 423 V N 1.202 121.157 119.914 0.069 0.000 2.577 423 V HA 0.538 4.611 4.120 -0.079 0.000 0.303 423 V C -2.184 173.950 176.094 0.066 0.000 1.042 423 V CA -1.856 60.478 62.300 0.056 0.000 0.872 423 V CB 2.267 34.114 31.823 0.039 0.000 0.998 423 V HN 0.066 nan 8.190 nan 0.000 0.423 424 P HA 0.072 nan 4.420 nan 0.000 0.266 424 P C 1.183 178.551 177.300 0.112 0.000 1.195 424 P CA 0.200 63.376 63.100 0.126 0.000 0.768 424 P CB 0.549 32.344 31.700 0.157 0.000 0.838 425 T N 0.622 115.242 114.554 0.110 0.000 2.867 425 T HA -0.158 4.145 4.350 -0.079 0.000 0.268 425 T C 0.779 175.592 174.700 0.188 0.000 1.057 425 T CA 0.441 62.600 62.100 0.099 0.000 1.136 425 T CB -0.716 68.169 68.868 0.028 0.000 0.874 425 T HN 0.455 nan 8.240 nan 0.000 0.466 426 R N 0.268 120.934 120.500 0.277 0.000 3.423 426 R HA -0.140 4.152 4.340 -0.079 0.000 0.271 426 R C 0.466 176.972 176.300 0.344 0.000 1.093 426 R CA 0.530 56.800 56.100 0.283 0.000 0.730 426 R CB -2.764 27.639 30.300 0.171 0.000 1.190 426 R HN 0.673 nan 8.270 nan 0.000 0.437 427 F N -2.044 117.982 119.950 0.126 0.000 2.699 427 F HA 0.299 4.779 4.527 -0.079 0.000 0.298 427 F C 1.448 177.369 175.800 0.201 0.000 1.154 427 F CA 0.863 58.952 58.000 0.148 0.000 1.457 427 F CB -0.013 39.110 39.000 0.205 0.000 1.106 427 F HN 0.199 nan 8.300 nan 0.000 0.585 428 G N 0.478 109.221 108.800 -0.094 0.000 3.709 428 G HA2 -0.070 3.842 3.960 -0.079 0.000 0.196 428 G HA3 -0.070 3.842 3.960 -0.079 0.000 0.196 428 G C -0.055 174.756 174.900 -0.150 0.000 1.177 428 G CA -0.193 44.845 45.100 -0.103 0.000 0.906 428 G HN 0.281 nan 8.290 nan 0.000 0.416 429 L N 3.282 124.185 121.223 -0.533 0.000 2.426 429 L HA 0.449 4.742 4.340 -0.079 0.000 0.271 429 L C 1.479 178.349 176.870 -0.000 0.000 1.169 429 L CA 0.110 54.726 54.840 -0.372 0.000 0.836 429 L CB 0.869 42.450 42.059 -0.796 0.000 1.112 429 L HN 0.484 nan 8.230 nan 0.000 0.465 430 T N -1.605 113.008 114.554 0.098 0.000 2.900 430 T HA 0.088 4.390 4.350 -0.079 0.000 0.307 430 T C 0.337 175.221 174.700 0.306 0.000 1.065 430 T CA -0.513 61.691 62.100 0.174 0.000 1.105 430 T CB 0.839 69.780 68.868 0.121 0.000 0.979 430 T HN 0.740 nan 8.240 nan 0.000 0.544 431 D N 0.030 120.581 120.400 0.250 0.000 2.737 431 D HA -0.187 4.405 4.640 -0.079 0.000 0.238 431 D C -0.145 176.412 176.300 0.427 0.000 1.157 431 D CA 1.108 55.266 54.000 0.264 0.000 0.694 431 D CB -0.829 40.104 40.800 0.222 0.000 1.021 431 D HN 0.886 nan 8.370 nan 0.000 0.420 432 E N 0.764 121.244 120.200 0.466 0.000 2.227 432 E HA 0.277 4.579 4.350 -0.079 0.000 0.282 432 E C -0.163 176.713 176.600 0.460 0.000 1.015 432 E CA -0.788 55.992 56.400 0.633 0.000 0.823 432 E CB 0.512 30.598 29.700 0.644 0.000 1.081 432 E HN 0.151 nan 8.360 nan 0.000 0.396 433 Y N 1.855 122.272 120.300 0.195 0.000 2.296 433 Y HA 0.235 4.738 4.550 -0.079 0.000 0.343 433 Y C 1.120 177.093 175.900 0.121 0.000 1.292 433 Y CA 0.391 58.565 58.100 0.123 0.000 1.490 433 Y CB 0.987 39.497 38.460 0.084 0.000 1.359 433 Y HN 0.707 nan 8.280 nan 0.000 0.599 434 A N 0.066 122.996 122.820 0.182 0.000 2.419 434 A HA 0.508 4.781 4.320 -0.079 0.000 0.233 434 A C 1.126 178.783 177.584 0.122 0.000 1.217 434 A CA 0.477 52.590 52.037 0.127 0.000 0.944 434 A CB -0.707 18.331 19.000 0.063 0.000 1.025 434 A HN 1.279 nan 8.150 nan 0.000 0.524 435 G N -0.645 108.238 108.800 0.138 0.000 2.697 435 G HA2 -0.056 3.856 3.960 -0.079 0.000 0.240 435 G HA3 -0.056 3.856 3.960 -0.079 0.000 0.240 435 G C -0.316 174.609 174.900 0.042 0.000 1.346 435 G CA 0.217 45.367 45.100 0.082 0.000 0.887 435 G HN 1.190 nan 8.290 nan 0.000 0.569 436 Q N -1.670 118.128 119.800 -0.004 0.000 2.295 436 Q HA 0.585 4.877 4.340 -0.079 0.000 0.268 436 Q C -0.868 175.101 176.000 -0.052 0.000 1.010 436 Q CA -0.988 54.805 55.803 -0.018 0.000 0.856 436 Q CB 1.328 30.053 28.738 -0.022 0.000 1.349 436 Q HN 0.714 nan 8.270 nan 0.000 0.412 437 L N 5.011 126.215 121.223 -0.031 0.000 2.439 437 L HA 0.406 4.699 4.340 -0.079 0.000 0.269 437 L C -1.894 174.939 176.870 -0.063 0.000 1.179 437 L CA -1.395 53.415 54.840 -0.051 0.000 0.828 437 L CB -0.212 41.832 42.059 -0.025 0.000 1.106 437 L HN 0.644 nan 8.230 nan 0.000 0.467 438 P HA 0.066 nan 4.420 nan 0.000 0.268 438 P C -0.774 176.509 177.300 -0.028 0.000 1.208 438 P CA -0.436 62.632 63.100 -0.055 0.000 0.777 438 P CB 0.403 32.078 31.700 -0.043 0.000 0.875 439 A N 1.864 124.671 122.820 -0.020 0.000 2.475 439 A HA -0.017 4.256 4.320 -0.079 0.000 0.239 439 A C 0.542 178.127 177.584 0.001 0.000 1.087 439 A CA 0.045 52.076 52.037 -0.010 0.000 0.779 439 A CB -0.524 18.471 19.000 -0.008 0.000 1.036 439 A HN 0.570 nan 8.150 nan 0.000 0.506 440 D N 0.314 120.717 120.400 0.004 0.000 2.608 440 D HA 0.333 4.926 4.640 -0.079 0.000 0.224 440 D C -0.462 175.849 176.300 0.018 0.000 1.123 440 D CA 0.153 54.160 54.000 0.011 0.000 1.030 440 D CB -0.794 40.011 40.800 0.009 0.000 1.093 440 D HN 0.637 nan 8.370 nan 0.000 0.497 441 N N 0.213 118.928 118.700 0.025 0.000 2.504 441 N HA 0.122 4.815 4.740 -0.079 0.000 0.268 441 N C 0.914 176.450 175.510 0.042 0.000 1.184 441 N CA -0.964 52.104 53.050 0.030 0.000 0.875 441 N CB 0.633 39.135 38.487 0.025 0.000 1.630 441 N HN 0.024 nan 8.380 nan 0.000 0.486 442 I N -1.532 119.066 120.570 0.047 0.000 2.657 442 I HA -0.154 3.969 4.170 -0.079 0.000 0.261 442 I C 0.332 176.488 176.117 0.065 0.000 1.212 442 I CA 0.867 62.202 61.300 0.059 0.000 1.453 442 I CB -0.264 37.770 38.000 0.056 0.000 1.092 442 I HN 0.344 nan 8.210 nan 0.000 0.452 443 V N 2.159 122.108 119.914 0.059 0.000 2.331 443 V HA -0.163 3.909 4.120 -0.079 0.000 0.242 443 V C 2.160 178.287 176.094 0.055 0.000 1.034 443 V CA 2.320 64.661 62.300 0.067 0.000 1.027 443 V CB -1.022 30.842 31.823 0.068 0.000 0.667 443 V HN 0.463 nan 8.190 nan 0.000 0.457 444 N N 0.247 118.971 118.700 0.039 0.000 2.166 444 N HA -0.086 4.607 4.740 -0.079 0.000 0.186 444 N C 1.796 177.314 175.510 0.014 0.000 1.019 444 N CA 1.265 54.323 53.050 0.014 0.000 0.856 444 N CB -0.161 38.330 38.487 0.007 0.000 0.993 444 N HN 0.411 nan 8.380 nan 0.000 0.426 445 I N 0.807 121.411 120.570 0.057 0.000 2.315 445 I HA -0.203 3.919 4.170 -0.079 0.000 0.248 445 I C 2.388 178.606 176.117 0.168 0.000 1.117 445 I CA 0.649 62.026 61.300 0.127 0.000 1.404 445 I CB -0.312 37.774 38.000 0.143 0.000 1.071 445 I HN 0.184 nan 8.210 nan 0.000 0.419 446 A N 0.312 123.184 122.820 0.086 0.000 1.897 446 A HA -0.190 4.083 4.320 -0.079 0.000 0.215 446 A C 2.232 179.775 177.584 -0.069 0.000 1.181 446 A CA 1.112 53.179 52.037 0.050 0.000 0.620 446 A CB -0.492 18.557 19.000 0.082 0.000 0.821 446 A HN 0.433 nan 8.150 nan 0.000 0.443 447 Q N 0.452 120.153 119.800 -0.164 0.000 2.291 447 Q HA -0.124 4.169 4.340 -0.079 0.000 0.205 447 Q C 2.220 177.697 176.000 -0.872 0.000 0.970 447 Q CA 1.506 56.904 55.803 -0.676 0.000 0.876 447 Q CB -0.276 28.258 28.738 -0.340 0.000 0.935 447 Q HN 0.848 nan 8.270 nan 0.000 0.455 448 S N 0.330 115.853 115.700 -0.295 0.000 2.447 448 S HA -0.144 4.279 4.470 -0.079 0.000 0.233 448 S C 2.022 176.667 174.600 0.075 0.000 1.006 448 S CA 1.050 59.183 58.200 -0.112 0.000 0.957 448 S CB -0.354 62.925 63.200 0.132 0.000 0.773 448 S HN 0.423 nan 8.310 nan 0.000 0.507 449 S N 1.960 117.611 115.700 -0.082 0.000 2.440 449 S HA -0.086 4.337 4.470 -0.079 0.000 0.238 449 S C 1.202 175.826 174.600 0.040 0.000 1.010 449 S CA 0.854 58.936 58.200 -0.196 0.000 0.972 449 S CB -0.956 62.069 63.200 -0.292 0.000 0.774 449 S HN 0.882 nan 8.310 nan 0.000 0.501 450 F N -1.559 118.434 119.950 0.072 0.000 2.772 450 F HA 0.748 5.227 4.527 -0.079 0.000 0.316 450 F C 1.095 176.935 175.800 0.066 0.000 1.114 450 F CA -0.591 57.450 58.000 0.067 0.000 1.191 450 F CB 0.253 39.261 39.000 0.013 0.000 1.065 450 F HN 0.214 nan 8.300 nan 0.000 0.534 451 G N 0.283 109.014 108.800 -0.116 0.000 2.138 451 G HA2 -0.127 3.786 3.960 -0.079 0.000 0.193 451 G HA3 -0.127 3.786 3.960 -0.079 0.000 0.193 451 G C -0.338 174.410 174.900 -0.253 0.000 0.998 451 G CA -0.336 44.641 45.100 -0.205 0.000 0.668 451 G HN 0.365 nan 8.290 nan 0.000 0.516 452 Q N -0.964 118.632 119.800 -0.339 0.000 2.399 452 Q HA 0.634 4.926 4.340 -0.079 0.000 0.276 452 Q C 0.988 176.867 176.000 -0.202 0.000 1.098 452 Q CA -0.007 55.683 55.803 -0.188 0.000 0.827 452 Q CB 1.460 30.151 28.738 -0.077 0.000 1.386 452 Q HN 1.411 nan 8.270 nan 0.000 0.443 453 G N 0.866 109.645 108.800 -0.036 0.000 2.148 453 G HA2 -0.265 3.647 3.960 -0.079 0.000 0.254 453 G HA3 -0.265 3.647 3.960 -0.079 0.000 0.254 453 G C -0.037 174.789 174.900 -0.123 0.000 0.981 453 G CA 0.709 45.780 45.100 -0.048 0.000 0.670 453 G HN 0.534 nan 8.290 nan 0.000 0.528 454 I N 0.513 120.960 120.570 -0.205 0.000 2.752 454 I HA 0.644 4.766 4.170 -0.079 0.000 0.295 454 I C -0.202 175.724 176.117 -0.318 0.000 1.219 454 I CA -0.343 60.786 61.300 -0.285 0.000 1.030 454 I CB 2.082 39.806 38.000 -0.460 0.000 1.259 454 I HN 0.375 nan 8.210 nan 0.000 0.423 455 S N 6.814 122.363 115.700 -0.252 0.000 2.568 455 S HA 0.905 5.327 4.470 -0.079 0.000 0.302 455 S C -0.733 173.712 174.600 -0.258 0.000 1.082 455 S CA -0.418 57.633 58.200 -0.248 0.000 1.009 455 S CB 1.907 65.042 63.200 -0.108 0.000 1.069 455 S HN 0.907 nan 8.310 nan 0.000 0.500 456 V N -1.008 118.691 119.914 -0.359 0.000 3.159 456 V HA 0.909 4.981 4.120 -0.079 0.000 0.308 456 V C -0.130 175.889 176.094 -0.125 0.000 1.190 456 V CA -0.456 61.718 62.300 -0.210 0.000 1.037 456 V CB 1.193 32.872 31.823 -0.240 0.000 1.060 456 V HN 1.242 nan 8.190 nan 0.000 0.437 457 T N -1.001 113.620 114.554 0.111 0.000 2.934 457 T HA 0.432 4.734 4.350 -0.079 0.000 0.283 457 T C 0.708 175.618 174.700 0.350 0.000 1.005 457 T CA -0.117 62.144 62.100 0.267 0.000 1.041 457 T CB 1.647 70.649 68.868 0.224 0.000 1.042 457 T HN 0.805 nan 8.240 nan 0.000 0.505 458 Q N 0.285 120.347 119.800 0.437 0.000 2.170 458 Q HA -0.091 4.201 4.340 -0.079 0.000 0.203 458 Q C 2.428 178.555 176.000 0.213 0.000 0.976 458 Q CA 1.913 57.972 55.803 0.428 0.000 0.858 458 Q CB -0.442 28.512 28.738 0.360 0.000 0.907 458 Q HN 1.000 nan 8.270 nan 0.000 0.433 459 T N -1.720 112.893 114.554 0.097 0.000 2.951 459 T HA -0.121 4.182 4.350 -0.079 0.000 0.268 459 T C 1.679 176.346 174.700 -0.055 0.000 1.073 459 T CA 0.812 62.876 62.100 -0.062 0.000 1.134 459 T CB -0.060 68.606 68.868 -0.335 0.000 0.884 459 T HN 0.237 nan 8.240 nan 0.000 0.479 460 Q N -0.130 119.672 119.800 0.004 0.000 2.123 460 Q HA 0.071 4.364 4.340 -0.079 0.000 0.199 460 Q C 2.343 178.292 176.000 -0.086 0.000 0.966 460 Q CA 0.967 56.743 55.803 -0.045 0.000 0.845 460 Q CB -0.219 28.562 28.738 0.071 0.000 0.907 460 Q HN 0.397 nan 8.270 nan 0.000 0.439 461 M N 0.154 119.732 119.600 -0.036 0.000 2.099 461 M HA -0.120 4.312 4.480 -0.079 0.000 0.262 461 M C 2.180 178.154 176.300 -0.544 0.000 1.067 461 M CA 1.415 56.513 55.300 -0.337 0.000 1.124 461 M CB -0.649 31.738 32.600 -0.355 0.000 1.353 461 M HN 0.256 nan 8.290 nan 0.000 0.410 462 I N -0.639 119.829 120.570 -0.169 0.000 2.226 462 I HA -0.321 3.801 4.170 -0.079 0.000 0.245 462 I C 2.722 178.850 176.117 0.019 0.000 1.100 462 I CA 1.151 62.477 61.300 0.043 0.000 1.374 462 I CB -0.477 37.581 38.000 0.098 0.000 1.057 462 I HN 0.336 nan 8.210 nan 0.000 0.413 463 R N 1.394 121.861 120.500 -0.055 0.000 2.083 463 R HA -0.198 4.095 4.340 -0.079 0.000 0.237 463 R C 2.367 178.642 176.300 -0.043 0.000 1.137 463 R CA 1.807 57.882 56.100 -0.042 0.000 0.951 463 R CB -0.291 29.957 30.300 -0.086 0.000 0.851 463 R HN 0.333 nan 8.270 nan 0.000 0.434 464 A N 0.309 123.036 122.820 -0.156 0.000 1.933 464 A HA -0.126 4.146 4.320 -0.079 0.000 0.218 464 A C 1.890 179.483 177.584 0.015 0.000 1.175 464 A CA 1.114 53.095 52.037 -0.094 0.000 0.628 464 A CB -0.634 18.175 19.000 -0.317 0.000 0.814 464 A HN 0.389 nan 8.150 nan 0.000 0.444 465 F N 1.225 121.167 119.950 -0.014 0.000 2.269 465 F HA -0.132 4.348 4.527 -0.079 0.000 0.301 465 F C 2.887 178.701 175.800 0.024 0.000 1.082 465 F CA 1.400 59.392 58.000 -0.014 0.000 1.360 465 F CB -1.258 37.713 39.000 -0.050 0.000 1.041 465 F HN 0.426 nan 8.300 nan 0.000 0.512 466 T N -2.177 112.501 114.554 0.206 0.000 2.821 466 T HA -0.099 4.203 4.350 -0.079 0.000 0.267 466 T C 2.234 176.997 174.700 0.105 0.000 1.046 466 T CA 1.020 63.200 62.100 0.135 0.000 1.139 466 T CB -0.757 68.170 68.868 0.099 0.000 0.871 466 T HN 0.147 nan 8.240 nan 0.000 0.454 467 A N 2.107 124.997 122.820 0.116 0.000 1.877 467 A HA 0.056 4.328 4.320 -0.079 0.000 0.216 467 A C 2.398 180.036 177.584 0.090 0.000 1.186 467 A CA 1.561 53.645 52.037 0.080 0.000 0.620 467 A CB -0.727 18.336 19.000 0.105 0.000 0.822 467 A HN 0.500 nan 8.150 nan 0.000 0.443 468 I N -0.215 120.446 120.570 0.152 0.000 2.286 468 I HA -0.176 3.946 4.170 -0.079 0.000 0.248 468 I C 2.533 178.690 176.117 0.067 0.000 1.115 468 I CA 1.438 62.807 61.300 0.115 0.000 1.392 468 I CB -1.538 36.556 38.000 0.157 0.000 1.065 468 I HN 0.348 nan 8.210 nan 0.000 0.418 469 A N 0.004 122.870 122.820 0.077 0.000 2.275 469 A HA 0.058 4.330 4.320 -0.079 0.000 0.212 469 A C 1.037 178.638 177.584 0.030 0.000 1.201 469 A CA 0.300 52.365 52.037 0.046 0.000 0.843 469 A CB -0.632 18.399 19.000 0.053 0.000 0.873 469 A HN 0.419 nan 8.150 nan 0.000 0.492 470 N N 0.745 119.462 118.700 0.029 0.000 2.646 470 N HA 0.161 4.854 4.740 -0.079 0.000 0.303 470 N C -1.068 174.438 175.510 -0.006 0.000 1.921 470 N CA -0.192 52.866 53.050 0.014 0.000 0.872 470 N CB 0.033 38.535 38.487 0.024 0.000 1.327 470 N HN 0.097 nan 8.380 nan 0.000 0.492 471 D N 0.817 121.210 120.400 -0.011 0.000 2.737 471 D HA -0.194 4.399 4.640 -0.079 0.000 0.233 471 D C 1.042 177.299 176.300 -0.070 0.000 1.155 471 D CA 1.742 55.724 54.000 -0.029 0.000 0.667 471 D CB -1.324 39.465 40.800 -0.019 0.000 1.060 471 D HN 0.805 nan 8.370 nan 0.000 0.427 472 G N -2.189 106.570 108.800 -0.067 0.000 2.179 472 G HA2 -0.325 3.588 3.960 -0.079 0.000 0.260 472 G HA3 -0.325 3.588 3.960 -0.079 0.000 0.260 472 G C 0.362 175.140 174.900 -0.203 0.000 0.977 472 G CA 0.215 45.242 45.100 -0.122 0.000 0.641 472 G HN 0.612 nan 8.290 nan 0.000 0.533 473 V N 1.932 121.746 119.914 -0.168 0.000 2.348 473 V HA 0.567 4.640 4.120 -0.079 0.000 0.270 473 V C 0.755 176.810 176.094 -0.064 0.000 1.037 473 V CA -0.165 62.025 62.300 -0.183 0.000 0.872 473 V CB 1.456 33.224 31.823 -0.093 0.000 1.002 473 V HN 0.444 nan 8.190 nan 0.000 0.464 474 M N 6.302 125.861 119.600 -0.069 0.000 2.188 474 M HA 0.447 4.879 4.480 -0.079 0.000 0.354 474 M C -0.928 175.390 176.300 0.029 0.000 1.342 474 M CA 0.155 55.447 55.300 -0.012 0.000 1.117 474 M CB 0.415 32.989 32.600 -0.043 0.000 1.670 474 M HN 0.508 nan 8.290 nan 0.000 0.466 475 L N 2.954 124.206 121.223 0.047 0.000 2.330 475 L HA 0.516 4.808 4.340 -0.079 0.000 0.271 475 L C -0.382 176.529 176.870 0.068 0.000 1.013 475 L CA -1.029 53.850 54.840 0.066 0.000 0.816 475 L CB 1.832 43.934 42.059 0.071 0.000 1.287 475 L HN 0.561 nan 8.230 nan 0.000 0.435 476 E N 2.754 123.003 120.200 0.081 0.000 2.289 476 E HA 0.256 4.558 4.350 -0.079 0.000 0.278 476 E C -2.441 174.236 176.600 0.127 0.000 1.032 476 E CA -1.617 54.842 56.400 0.098 0.000 0.854 476 E CB 1.051 30.814 29.700 0.106 0.000 1.046 476 E HN 0.146 nan 8.360 nan 0.000 0.409 477 P HA 0.077 nan 4.420 nan 0.000 0.268 477 P C -1.182 176.312 177.300 0.323 0.000 1.204 477 P CA 0.223 63.442 63.100 0.199 0.000 0.768 477 P CB 0.613 32.379 31.700 0.110 0.000 0.842 478 K N 2.116 122.693 120.400 0.295 0.000 2.375 478 K HA 0.484 4.756 4.320 -0.079 0.000 0.249 478 K C -0.067 176.748 176.600 0.358 0.000 0.942 478 K CA -0.427 55.997 56.287 0.227 0.000 0.806 478 K CB 1.560 34.116 32.500 0.094 0.000 1.227 478 K HN 0.424 nan 8.250 nan 0.000 0.430 479 F N -0.874 119.226 119.950 0.249 0.000 2.880 479 F HA 0.462 4.942 4.527 -0.080 0.000 0.346 479 F C -0.081 175.815 175.800 0.160 0.000 1.054 479 F CA -0.565 57.600 58.000 0.275 0.000 1.151 479 F CB 0.429 39.652 39.000 0.372 0.000 1.066 479 F HN 0.118 nan 8.300 nan 0.000 0.566 480 I N 1.346 121.746 120.570 -0.284 0.000 2.330 480 I HA 0.257 4.380 4.170 -0.079 0.000 0.289 480 I C 1.040 177.141 176.117 -0.027 0.000 1.001 480 I CA -0.454 60.755 61.300 -0.152 0.000 1.193 480 I CB 1.815 39.604 38.000 -0.352 0.000 1.345 480 I HN 0.192 nan 8.210 nan 0.000 0.461 481 S N 4.870 120.622 115.700 0.088 0.000 2.404 481 S HA 0.378 4.800 4.470 -0.079 0.000 0.223 481 S C 0.503 175.137 174.600 0.057 0.000 1.040 481 S CA 0.654 58.906 58.200 0.087 0.000 0.957 481 S CB 0.297 63.583 63.200 0.144 0.000 0.826 481 S HN 0.794 nan 8.310 nan 0.000 0.491 482 A N 0.009 122.891 122.820 0.104 0.000 2.599 482 A HA 0.614 4.887 4.320 -0.079 0.000 0.294 482 A C -1.696 175.992 177.584 0.172 0.000 1.055 482 A CA -0.718 51.363 52.037 0.073 0.000 0.683 482 A CB 0.623 19.611 19.000 -0.020 0.000 1.278 482 A HN 0.310 nan 8.150 nan 0.000 0.412 483 I N 1.771 122.416 120.570 0.126 0.000 2.389 483 I HA 0.343 4.465 4.170 -0.079 0.000 0.288 483 I C -1.103 175.135 176.117 0.202 0.000 0.999 483 I CA -0.552 60.849 61.300 0.169 0.000 1.129 483 I CB 1.599 39.635 38.000 0.060 0.000 1.288 483 I HN 0.726 nan 8.210 nan 0.000 0.444 484 Y N 5.990 126.390 120.300 0.167 0.000 2.328 484 Y HA 0.355 4.857 4.550 -0.080 0.000 0.337 484 Y C -0.459 175.505 175.900 0.106 0.000 1.008 484 Y CA -0.704 57.473 58.100 0.129 0.000 1.129 484 Y CB 1.123 39.708 38.460 0.207 0.000 1.185 484 Y HN 0.446 nan 8.280 nan 0.000 0.476 485 D N 8.765 128.754 120.400 -0.685 0.000 2.443 485 D HA 0.258 4.851 4.640 -0.079 0.000 0.221 485 D C -1.948 173.831 176.300 -0.868 0.000 1.097 485 D CA -2.483 51.194 54.000 -0.539 0.000 0.865 485 D CB 1.821 42.456 40.800 -0.275 0.000 1.034 485 D HN 0.380 nan 8.370 nan 0.000 0.511 486 P HA -0.080 nan 4.420 nan 0.000 0.221 486 P C 0.713 177.938 177.300 -0.125 0.000 1.150 486 P CA 0.435 63.385 63.100 -0.250 0.000 0.800 486 P CB 0.524 32.261 31.700 0.062 0.000 0.787 487 N N 1.027 119.651 118.700 -0.127 0.000 2.585 487 N HA -0.093 4.599 4.740 -0.079 0.000 0.188 487 N C 0.605 176.076 175.510 -0.065 0.000 1.102 487 N CA 1.341 54.349 53.050 -0.071 0.000 0.920 487 N CB -0.256 38.195 38.487 -0.060 0.000 0.963 487 N HN 0.457 nan 8.380 nan 0.000 0.447 488 D N -1.800 118.541 120.400 -0.099 0.000 2.825 488 D HA -0.030 4.563 4.640 -0.079 0.000 0.294 488 D C -0.356 175.911 176.300 -0.055 0.000 1.651 488 D CA -0.093 53.870 54.000 -0.061 0.000 0.847 488 D CB -0.460 40.308 40.800 -0.052 0.000 1.389 488 D HN -0.274 nan 8.370 nan 0.000 0.426 489 Q N 0.555 120.317 119.800 -0.064 0.000 2.437 489 Q HA -0.179 4.113 4.340 -0.079 0.000 0.274 489 Q C 0.127 176.160 176.000 0.055 0.000 1.165 489 Q CA 1.780 57.617 55.803 0.057 0.000 0.925 489 Q CB -2.403 26.400 28.738 0.108 0.000 1.327 489 Q HN 0.773 nan 8.270 nan 0.000 0.505 490 T N -4.064 110.434 114.554 -0.092 0.000 2.922 490 T HA 0.928 5.231 4.350 -0.079 0.000 0.281 490 T C -0.070 174.620 174.700 -0.016 0.000 1.005 490 T CA -0.434 61.651 62.100 -0.026 0.000 0.982 490 T CB 2.500 71.343 68.868 -0.042 0.000 1.158 490 T HN 0.681 nan 8.240 nan 0.000 0.566 491 A N 0.461 123.306 122.820 0.041 0.000 2.599 491 A HA 0.695 4.967 4.320 -0.079 0.000 0.294 491 A C -1.259 176.347 177.584 0.036 0.000 1.055 491 A CA -1.133 50.951 52.037 0.078 0.000 0.683 491 A CB 1.173 20.285 19.000 0.188 0.000 1.278 491 A HN 0.815 nan 8.150 nan 0.000 0.412 492 R N 1.135 121.651 120.500 0.026 0.000 2.360 492 R HA 0.472 4.765 4.340 -0.079 0.000 0.318 492 R C -0.963 175.334 176.300 -0.006 0.000 0.950 492 R CA -0.492 55.607 56.100 -0.001 0.000 0.837 492 R CB 1.997 32.281 30.300 -0.027 0.000 1.165 492 R HN 0.630 nan 8.270 nan 0.000 0.458 493 K N 1.100 121.492 120.400 -0.013 0.000 2.138 493 K HA 0.254 4.527 4.320 -0.079 0.000 0.263 493 K C -0.099 176.488 176.600 -0.020 0.000 0.965 493 K CA -0.461 55.815 56.287 -0.019 0.000 0.868 493 K CB 2.042 34.528 32.500 -0.024 0.000 1.083 493 K HN 0.317 nan 8.250 nan 0.000 0.443 494 S N 2.150 117.839 115.700 -0.017 0.000 2.584 494 S HA 0.182 4.604 4.470 -0.079 0.000 0.273 494 S C -0.719 173.878 174.600 -0.005 0.000 1.311 494 S CA -0.526 57.663 58.200 -0.018 0.000 1.034 494 S CB 0.578 63.766 63.200 -0.019 0.000 0.939 494 S HN 0.374 nan 8.310 nan 0.000 0.513 495 Q N 2.230 122.028 119.800 -0.003 0.000 2.359 495 Q HA 0.300 4.592 4.340 -0.079 0.000 0.274 495 Q C -0.907 175.103 176.000 0.017 0.000 1.074 495 Q CA -0.822 54.986 55.803 0.008 0.000 0.810 495 Q CB 1.887 30.627 28.738 0.004 0.000 1.342 495 Q HN 0.891 nan 8.270 nan 0.000 0.427 496 K N 0.297 120.715 120.400 0.029 0.000 2.561 496 K HA 0.013 4.286 4.320 -0.079 0.000 0.280 496 K C -0.157 176.470 176.600 0.046 0.000 0.975 496 K CA 0.345 56.658 56.287 0.042 0.000 1.024 496 K CB 0.799 33.328 32.500 0.049 0.000 0.883 496 K HN 0.493 nan 8.250 nan 0.000 0.496 497 E N 3.776 124.010 120.200 0.056 0.000 2.141 497 E HA 0.182 4.484 4.350 -0.079 0.000 0.259 497 E C -0.802 175.850 176.600 0.087 0.000 0.883 497 E CA -0.663 55.775 56.400 0.063 0.000 0.744 497 E CB 0.802 30.534 29.700 0.053 0.000 1.150 497 E HN 0.526 nan 8.360 nan 0.000 0.420 498 I N 4.805 125.441 120.570 0.111 0.000 2.471 498 I HA -0.003 4.119 4.170 -0.079 0.000 0.286 498 I C 1.149 177.359 176.117 0.155 0.000 1.079 498 I CA -0.094 61.294 61.300 0.147 0.000 1.398 498 I CB 1.078 39.208 38.000 0.217 0.000 1.403 498 I HN 0.478 nan 8.210 nan 0.000 0.530 499 V N 2.415 122.403 119.914 0.122 0.000 3.380 499 V HA 0.711 4.783 4.120 -0.079 0.000 0.307 499 V C 0.426 176.570 176.094 0.083 0.000 1.434 499 V CA 0.227 62.596 62.300 0.116 0.000 1.075 499 V CB -0.241 31.629 31.823 0.078 0.000 0.954 499 V HN 0.959 nan 8.190 nan 0.000 0.444 500 G N 0.564 109.403 108.800 0.065 0.000 2.336 500 G HA2 0.248 4.161 3.960 -0.079 0.000 0.300 500 G HA3 0.248 4.161 3.960 -0.079 0.000 0.300 500 G C -1.568 173.251 174.900 -0.135 0.000 1.375 500 G CA -0.202 44.883 45.100 -0.027 0.000 0.885 500 G HN 0.309 nan 8.290 nan 0.000 0.599 501 N N 0.933 119.491 118.700 -0.237 0.000 2.711 501 N HA 0.301 4.993 4.740 -0.079 0.000 0.263 501 N C -1.409 173.902 175.510 -0.331 0.000 1.667 501 N CA -1.382 51.432 53.050 -0.394 0.000 0.785 501 N CB 1.703 39.829 38.487 -0.602 0.000 1.231 501 N HN 0.251 nan 8.380 nan 0.000 0.503 502 P HA -0.103 nan 4.420 nan 0.000 0.215 502 P C 0.646 177.750 177.300 -0.328 0.000 1.157 502 P CA 1.300 64.076 63.100 -0.539 0.000 0.868 502 P CB 0.244 31.230 31.700 -1.190 0.000 0.788 503 V N -3.885 115.882 119.914 -0.244 0.000 3.141 503 V HA 0.676 4.749 4.120 -0.079 0.000 0.312 503 V C 0.165 176.199 176.094 -0.100 0.000 1.157 503 V CA -0.956 61.294 62.300 -0.082 0.000 1.041 503 V CB 1.349 33.165 31.823 -0.012 0.000 1.071 503 V HN 0.205 nan 8.190 nan 0.000 0.441 504 S N 0.603 116.269 115.700 -0.058 0.000 2.608 504 S HA 0.265 4.688 4.470 -0.079 0.000 0.261 504 S C 0.953 175.517 174.600 -0.060 0.000 1.314 504 S CA 0.411 58.573 58.200 -0.064 0.000 0.992 504 S CB 0.806 63.985 63.200 -0.034 0.000 0.935 504 S HN 1.054 nan 8.310 nan 0.000 0.564 505 K N 0.278 120.646 120.400 -0.053 0.000 2.057 505 K HA -0.161 4.111 4.320 -0.079 0.000 0.207 505 K C 1.100 177.683 176.600 -0.028 0.000 1.049 505 K CA 1.836 58.099 56.287 -0.039 0.000 0.931 505 K CB -0.394 32.091 32.500 -0.024 0.000 0.714 505 K HN 0.669 nan 8.250 nan 0.000 0.440 506 D N 0.366 120.751 120.400 -0.024 0.000 2.117 506 D HA -0.118 4.475 4.640 -0.079 0.000 0.198 506 D C 1.818 178.098 176.300 -0.033 0.000 0.982 506 D CA 1.237 55.225 54.000 -0.020 0.000 0.828 506 D CB -0.201 40.592 40.800 -0.011 0.000 0.967 506 D HN 0.330 nan 8.370 nan 0.000 0.464 507 A N 1.334 124.130 122.820 -0.040 0.000 1.908 507 A HA -0.111 4.161 4.320 -0.079 0.000 0.218 507 A C 2.341 179.879 177.584 -0.076 0.000 1.181 507 A CA 2.428 54.426 52.037 -0.065 0.000 0.627 507 A CB -0.721 18.245 19.000 -0.056 0.000 0.818 507 A HN 0.249 nan 8.150 nan 0.000 0.445 508 A N -1.091 121.700 122.820 -0.047 0.000 1.873 508 A HA -0.080 4.192 4.320 -0.079 0.000 0.215 508 A C 2.486 180.045 177.584 -0.041 0.000 1.186 508 A CA 2.125 54.142 52.037 -0.034 0.000 0.616 508 A CB -1.075 17.916 19.000 -0.014 0.000 0.823 508 A HN 0.540 nan 8.150 nan 0.000 0.442 509 S N -0.722 114.958 115.700 -0.033 0.000 2.353 509 S HA -0.177 4.246 4.470 -0.079 0.000 0.222 509 S C 1.937 176.515 174.600 -0.036 0.000 1.035 509 S CA 1.753 59.938 58.200 -0.025 0.000 1.025 509 S CB -0.445 62.746 63.200 -0.016 0.000 0.902 509 S HN 0.481 nan 8.310 nan 0.000 0.440 510 L N 1.426 122.619 121.223 -0.051 0.000 2.141 510 L HA 0.002 4.295 4.340 -0.079 0.000 0.209 510 L C 2.345 179.136 176.870 -0.132 0.000 1.094 510 L CA 2.123 56.926 54.840 -0.061 0.000 0.763 510 L CB -1.368 40.663 42.059 -0.046 0.000 0.908 510 L HN 0.288 nan 8.230 nan 0.000 0.437 511 T N -0.606 113.838 114.554 -0.183 0.000 2.708 511 T HA -0.202 4.101 4.350 -0.079 0.000 0.266 511 T C 2.043 176.644 174.700 -0.165 0.000 1.037 511 T CA 1.625 63.557 62.100 -0.279 0.000 1.146 511 T CB -0.210 68.520 68.868 -0.230 0.000 0.865 511 T HN 0.317 nan 8.240 nan 0.000 0.435 512 R N 0.326 120.782 120.500 -0.073 0.000 2.105 512 R HA -0.087 4.206 4.340 -0.079 0.000 0.239 512 R C 2.699 179.004 176.300 0.007 0.000 1.135 512 R CA 1.591 57.682 56.100 -0.015 0.000 0.967 512 R CB -0.494 29.804 30.300 -0.004 0.000 0.861 512 R HN 0.340 nan 8.270 nan 0.000 0.442 513 T N 0.728 115.278 114.554 -0.008 0.000 2.737 513 T HA -0.088 4.215 4.350 -0.079 0.000 0.265 513 T C 1.500 176.229 174.700 0.049 0.000 1.038 513 T CA 1.113 63.226 62.100 0.021 0.000 1.144 513 T CB -0.231 68.647 68.868 0.017 0.000 0.866 513 T HN 0.304 nan 8.240 nan 0.000 0.434 514 N N 0.905 119.616 118.700 0.018 0.000 2.223 514 N HA 0.015 4.708 4.740 -0.079 0.000 0.185 514 N C 1.865 177.530 175.510 0.259 0.000 1.016 514 N CA 0.965 54.069 53.050 0.091 0.000 0.863 514 N CB -0.220 38.198 38.487 -0.114 0.000 0.983 514 N HN 0.425 nan 8.380 nan 0.000 0.429 515 M N 0.223 119.956 119.600 0.222 0.000 2.229 515 M HA -0.095 4.338 4.480 -0.079 0.000 0.264 515 M C 2.044 178.452 176.300 0.180 0.000 1.063 515 M CA 0.849 56.333 55.300 0.307 0.000 1.114 515 M CB 0.018 32.738 32.600 0.199 0.000 1.387 515 M HN -0.094 nan 8.290 nan 0.000 0.420 516 V N 0.718 120.707 119.914 0.127 0.000 2.427 516 V HA -0.240 3.832 4.120 -0.079 0.000 0.248 516 V C 2.164 178.324 176.094 0.110 0.000 1.051 516 V CA 1.460 63.818 62.300 0.097 0.000 1.048 516 V CB -0.611 31.256 31.823 0.074 0.000 0.666 516 V HN 0.488 nan 8.190 nan 0.000 0.456 517 L N -0.509 120.794 121.223 0.132 0.000 2.275 517 L HA -0.099 4.194 4.340 -0.079 0.000 0.215 517 L C 2.391 179.339 176.870 0.131 0.000 1.119 517 L CA 0.628 55.544 54.840 0.128 0.000 0.790 517 L CB -0.698 41.449 42.059 0.147 0.000 0.919 517 L HN 0.204 nan 8.230 nan 0.000 0.443 518 V N 0.417 120.414 119.914 0.138 0.000 2.568 518 V HA -0.223 3.850 4.120 -0.079 0.000 0.253 518 V C 2.240 178.387 176.094 0.088 0.000 1.072 518 V CA 2.045 64.394 62.300 0.082 0.000 1.084 518 V CB -0.767 31.074 31.823 0.029 0.000 0.676 518 V HN 0.618 nan 8.190 nan 0.000 0.469 519 G N -1.137 107.725 108.800 0.104 0.000 2.848 519 G HA2 -0.004 3.909 3.960 -0.079 0.000 0.213 519 G HA3 -0.004 3.909 3.960 -0.079 0.000 0.213 519 G C 1.454 176.480 174.900 0.210 0.000 1.101 519 G CA 0.895 46.068 45.100 0.122 0.000 0.778 519 G HN 0.549 nan 8.290 nan 0.000 0.536 520 T N -2.822 111.832 114.554 0.167 0.000 3.000 520 T HA 0.119 4.422 4.350 -0.079 0.000 0.248 520 T C 0.696 175.389 174.700 -0.012 0.000 1.034 520 T CA 0.041 62.244 62.100 0.173 0.000 1.060 520 T CB 0.202 69.134 68.868 0.108 0.000 0.983 520 T HN 0.013 nan 8.240 nan 0.000 0.482 521 D N 4.507 124.880 120.400 -0.044 0.000 2.349 521 D HA 0.080 4.672 4.640 -0.079 0.000 0.266 521 D C -1.135 174.884 176.300 -0.468 0.000 1.293 521 D CA -1.745 52.175 54.000 -0.132 0.000 0.926 521 D CB 1.534 42.360 40.800 0.042 0.000 1.090 521 D HN 0.164 nan 8.370 nan 0.000 0.502 522 P HA -0.120 nan 4.420 nan 0.000 0.225 522 P C 1.251 178.305 177.300 -0.410 0.000 1.148 522 P CA 0.417 62.756 63.100 -1.268 0.000 0.779 522 P CB 0.658 31.896 31.700 -0.768 0.000 0.780 523 V N -2.130 117.628 119.914 -0.260 0.000 2.581 523 V HA -0.027 4.045 4.120 -0.079 0.000 0.240 523 V C 2.032 177.879 176.094 -0.412 0.000 1.054 523 V CA 1.315 63.434 62.300 -0.301 0.000 1.076 523 V CB -0.926 30.644 31.823 -0.422 0.000 0.748 523 V HN -0.065 nan 8.190 nan 0.000 0.474 524 Y N 0.707 120.975 120.300 -0.053 0.000 2.462 524 Y HA 0.475 4.977 4.550 -0.079 0.000 0.253 524 Y C 1.789 177.795 175.900 0.177 0.000 1.095 524 Y CA -0.084 58.026 58.100 0.017 0.000 1.283 524 Y CB -0.176 38.276 38.460 -0.013 0.000 1.138 524 Y HN 0.241 nan 8.280 nan 0.000 0.522 525 G N 0.785 109.700 108.800 0.192 0.000 2.335 525 G HA2 0.163 4.076 3.960 -0.079 0.000 0.268 525 G HA3 0.163 4.076 3.960 -0.079 0.000 0.268 525 G C 1.049 176.033 174.900 0.140 0.000 1.228 525 G CA 0.358 45.548 45.100 0.149 0.000 0.968 525 G HN 0.374 nan 8.290 nan 0.000 0.459 526 T N 0.448 115.050 114.554 0.079 0.000 3.051 526 T HA -0.028 4.274 4.350 -0.079 0.000 0.269 526 T C 1.600 176.314 174.700 0.023 0.000 1.127 526 T CA 0.805 62.916 62.100 0.019 0.000 1.107 526 T CB -0.071 68.750 68.868 -0.079 0.000 0.898 526 T HN 0.394 nan 8.240 nan 0.000 0.517 527 M N 0.022 119.647 119.600 0.042 0.000 2.496 527 M HA 0.351 4.784 4.480 -0.079 0.000 0.330 527 M C -0.587 175.727 176.300 0.023 0.000 1.133 527 M CA -0.619 54.694 55.300 0.022 0.000 0.964 527 M CB 0.621 33.233 32.600 0.020 0.000 1.401 527 M HN 0.220 nan 8.290 nan 0.000 0.520 528 Y N 1.978 122.215 120.300 -0.105 0.000 2.365 528 Y HA 0.281 4.784 4.550 -0.079 0.000 0.340 528 Y C 0.061 175.804 175.900 -0.262 0.000 1.016 528 Y CA -0.639 57.354 58.100 -0.179 0.000 1.196 528 Y CB 0.435 38.756 38.460 -0.231 0.000 1.167 528 Y HN 0.076 nan 8.280 nan 0.000 0.509 529 N N 5.342 123.648 118.700 -0.657 0.000 2.439 529 N HA 0.011 4.704 4.740 -0.079 0.000 0.243 529 N C 0.718 175.842 175.510 -0.643 0.000 1.088 529 N CA 0.207 52.968 53.050 -0.482 0.000 0.940 529 N CB 0.083 38.381 38.487 -0.315 0.000 1.180 529 N HN 0.820 nan 8.380 nan 0.000 0.505 530 H N 1.750 120.677 119.070 -0.239 0.000 2.489 530 H HA -0.050 4.458 4.556 -0.079 0.000 0.295 530 H C 1.116 176.390 175.328 -0.091 0.000 1.082 530 H CA 1.115 57.114 56.048 -0.081 0.000 1.295 530 H CB 0.403 30.202 29.762 0.062 0.000 1.380 530 H HN 0.494 nan 8.280 nan 0.000 0.548 531 S N -0.284 115.410 115.700 -0.010 0.000 2.395 531 S HA -0.090 4.332 4.470 -0.079 0.000 0.225 531 S C 2.303 176.867 174.600 -0.059 0.000 1.027 531 S CA 1.516 59.703 58.200 -0.021 0.000 0.965 531 S CB -0.050 63.133 63.200 -0.029 0.000 0.812 531 S HN 0.682 nan 8.310 nan 0.000 0.482 532 T N -2.078 112.401 114.554 -0.125 0.000 3.037 532 T HA 0.404 4.706 4.350 -0.079 0.000 0.252 532 T C 1.569 176.179 174.700 -0.151 0.000 1.073 532 T CA 0.820 62.847 62.100 -0.122 0.000 1.091 532 T CB 0.060 68.849 68.868 -0.131 0.000 0.935 532 T HN 0.536 nan 8.240 nan 0.000 0.488 533 G N 1.770 110.398 108.800 -0.287 0.000 2.148 533 G HA2 -0.211 3.702 3.960 -0.079 0.000 0.254 533 G HA3 -0.211 3.702 3.960 -0.079 0.000 0.254 533 G C -0.025 174.688 174.900 -0.312 0.000 0.981 533 G CA 0.377 45.300 45.100 -0.295 0.000 0.670 533 G HN 0.653 nan 8.290 nan 0.000 0.528 534 K N -0.278 119.901 120.400 -0.367 0.000 2.352 534 K HA 0.599 4.871 4.320 -0.079 0.000 0.240 534 K C -2.773 173.676 176.600 -0.250 0.000 1.017 534 K CA -2.177 53.991 56.287 -0.198 0.000 0.851 534 K CB 1.491 33.924 32.500 -0.111 0.000 1.261 534 K HN -0.059 nan 8.250 nan 0.000 0.451 535 P HA 0.036 nan 4.420 nan 0.000 0.272 535 P C 0.715 177.957 177.300 -0.096 0.000 1.230 535 P CA 0.085 63.147 63.100 -0.063 0.000 0.788 535 P CB 0.379 32.082 31.700 0.005 0.000 0.949 536 T N -2.442 112.062 114.554 -0.084 0.000 2.995 536 T HA 0.039 4.341 4.350 -0.079 0.000 0.269 536 T C 0.615 175.273 174.700 -0.070 0.000 1.091 536 T CA 0.661 62.708 62.100 -0.089 0.000 1.128 536 T CB -0.308 68.510 68.868 -0.084 0.000 0.891 536 T HN 0.109 nan 8.240 nan 0.000 0.492 537 V N 2.605 122.491 119.914 -0.046 0.000 2.448 537 V HA 0.663 4.736 4.120 -0.079 0.000 0.295 537 V C 0.045 176.122 176.094 -0.029 0.000 1.025 537 V CA -0.582 61.693 62.300 -0.041 0.000 0.859 537 V CB 1.532 33.341 31.823 -0.022 0.000 0.988 537 V HN 0.726 nan 8.190 nan 0.000 0.431 538 T N 1.656 116.188 114.554 -0.036 0.000 2.841 538 T HA 0.866 5.169 4.350 -0.079 0.000 0.296 538 T C -1.113 173.575 174.700 -0.020 0.000 1.166 538 T CA -0.809 61.278 62.100 -0.021 0.000 1.007 538 T CB 2.084 70.937 68.868 -0.026 0.000 1.253 538 T HN 0.333 nan 8.240 nan 0.000 0.511 539 V N 1.201 121.112 119.914 -0.004 0.000 2.808 539 V HA 0.501 4.574 4.120 -0.079 0.000 0.308 539 V C -2.717 173.381 176.094 0.007 0.000 1.099 539 V CA -2.109 60.193 62.300 0.002 0.000 0.920 539 V CB 1.988 33.826 31.823 0.026 0.000 1.014 539 V HN 0.848 nan 8.190 nan 0.000 0.425 540 P HA 0.195 nan 4.420 nan 0.000 0.257 540 P C 0.831 178.138 177.300 0.013 0.000 1.189 540 P CA 1.445 64.547 63.100 0.004 0.000 0.780 540 P CB 0.161 31.861 31.700 -0.000 0.000 0.772 541 G N 2.412 111.219 108.800 0.012 0.000 2.198 541 G HA2 -0.228 3.685 3.960 -0.079 0.000 0.257 541 G HA3 -0.228 3.685 3.960 -0.079 0.000 0.257 541 G C -0.199 174.713 174.900 0.021 0.000 1.042 541 G CA -0.171 44.938 45.100 0.015 0.000 0.791 541 G HN 0.597 nan 8.290 nan 0.000 0.502 542 Q N -1.155 118.659 119.800 0.023 0.000 2.590 542 Q HA 0.516 4.809 4.340 -0.079 0.000 0.295 542 Q C -0.997 175.020 176.000 0.028 0.000 0.973 542 Q CA -1.252 54.568 55.803 0.028 0.000 0.768 542 Q CB 0.938 29.698 28.738 0.037 0.000 1.479 542 Q HN 0.142 nan 8.270 nan 0.000 0.419 543 N N 0.203 118.922 118.700 0.031 0.000 2.456 543 N HA 0.511 5.204 4.740 -0.079 0.000 0.296 543 N C -1.249 174.284 175.510 0.037 0.000 1.102 543 N CA -0.350 52.721 53.050 0.034 0.000 0.924 543 N CB 2.137 40.645 38.487 0.035 0.000 1.186 543 N HN 0.230 nan 8.380 nan 0.000 0.492 544 V N 1.032 120.969 119.914 0.039 0.000 2.444 544 V HA 0.440 4.512 4.120 -0.079 0.000 0.294 544 V C 0.211 176.331 176.094 0.043 0.000 1.022 544 V CA -1.146 61.177 62.300 0.039 0.000 0.850 544 V CB 1.228 33.070 31.823 0.032 0.000 0.992 544 V HN 0.777 nan 8.190 nan 0.000 0.426 545 A N 6.777 129.621 122.820 0.041 0.000 2.492 545 A HA 0.670 4.942 4.320 -0.079 0.000 0.254 545 A C -0.402 177.207 177.584 0.040 0.000 1.091 545 A CA 0.275 52.340 52.037 0.048 0.000 0.768 545 A CB -0.088 18.934 19.000 0.038 0.000 1.028 545 A HN 0.805 nan 8.150 nan 0.000 0.498 546 L N 1.531 122.791 121.223 0.062 0.000 2.327 546 L HA 0.796 5.089 4.340 -0.079 0.000 0.258 546 L C -0.340 176.563 176.870 0.054 0.000 1.024 546 L CA -1.068 53.799 54.840 0.044 0.000 0.825 546 L CB 2.430 44.513 42.059 0.040 0.000 1.386 546 L HN 0.657 nan 8.230 nan 0.000 0.417 547 K N 0.872 121.290 120.400 0.029 0.000 2.635 547 K HA 0.306 4.578 4.320 -0.079 0.000 0.266 547 K C -0.995 175.632 176.600 0.045 0.000 1.033 547 K CA -0.256 56.037 56.287 0.010 0.000 0.919 547 K CB 1.462 33.995 32.500 0.055 0.000 1.289 547 K HN 0.616 nan 8.250 nan 0.000 0.463 548 S N 1.279 116.989 115.700 0.017 0.000 2.617 548 S HA 0.849 5.272 4.470 -0.079 0.000 0.269 548 S C 0.378 175.020 174.600 0.070 0.000 1.292 548 S CA -0.264 57.977 58.200 0.067 0.000 1.010 548 S CB 1.559 64.785 63.200 0.044 0.000 0.944 548 S HN 0.694 nan 8.310 nan 0.000 0.536 549 G N 0.079 108.954 108.800 0.125 0.000 2.620 549 G HA2 0.615 4.527 3.960 -0.079 0.000 0.301 549 G HA3 0.615 4.527 3.960 -0.079 0.000 0.301 549 G C -1.367 173.573 174.900 0.067 0.000 1.347 549 G CA -0.715 44.450 45.100 0.109 0.000 0.971 549 G HN 0.757 nan 8.290 nan 0.000 0.488 550 T N 0.203 114.737 114.554 -0.033 0.000 2.991 550 T HA 0.705 5.008 4.350 -0.079 0.000 0.303 550 T C -0.417 174.224 174.700 -0.099 0.000 1.015 550 T CA -0.172 61.824 62.100 -0.175 0.000 1.007 550 T CB 1.573 70.257 68.868 -0.306 0.000 1.034 550 T HN 1.154 nan 8.240 nan 0.000 0.446 551 A N 3.241 126.022 122.820 -0.065 0.000 2.414 551 A HA 0.748 5.020 4.320 -0.079 0.000 0.306 551 A C -0.521 177.169 177.584 0.175 0.000 1.054 551 A CA -0.840 51.243 52.037 0.076 0.000 0.724 551 A CB 1.287 20.345 19.000 0.096 0.000 1.267 551 A HN 0.740 nan 8.150 nan 0.000 0.418 552 Q N 0.630 120.532 119.800 0.169 0.000 2.299 552 Q HA 0.514 4.807 4.340 -0.079 0.000 0.246 552 Q C -0.841 175.271 176.000 0.187 0.000 0.935 552 Q CA 0.217 56.100 55.803 0.132 0.000 0.887 552 Q CB 1.388 29.992 28.738 -0.223 0.000 1.223 552 Q HN 0.670 nan 8.270 nan 0.000 0.439 553 I N 1.674 122.365 120.570 0.202 0.000 2.377 553 I HA 0.380 4.502 4.170 -0.079 0.000 0.293 553 I C 0.025 176.294 176.117 0.253 0.000 0.987 553 I CA -0.887 60.531 61.300 0.198 0.000 1.185 553 I CB 1.633 39.665 38.000 0.054 0.000 1.341 553 I HN 0.625 nan 8.210 nan 0.000 0.455 554 A N 4.572 127.470 122.820 0.131 0.000 2.520 554 A HA 0.008 4.281 4.320 -0.079 0.000 0.235 554 A C -0.000 177.528 177.584 -0.094 0.000 1.065 554 A CA 0.023 51.976 52.037 -0.140 0.000 0.764 554 A CB 0.077 18.973 19.000 -0.172 0.000 1.002 554 A HN 0.757 nan 8.150 nan 0.000 0.502 555 D N 1.759 122.071 120.400 -0.148 0.000 2.456 555 D HA 0.163 4.756 4.640 -0.079 0.000 0.219 555 D C 0.939 177.186 176.300 -0.088 0.000 1.126 555 D CA -0.083 53.864 54.000 -0.089 0.000 0.890 555 D CB 0.446 41.197 40.800 -0.081 0.000 1.025 555 D HN 0.638 nan 8.370 nan 0.000 0.511 556 E N 2.099 122.262 120.200 -0.062 0.000 2.070 556 E HA -0.204 4.099 4.350 -0.079 0.000 0.197 556 E C 1.372 177.945 176.600 -0.046 0.000 1.004 556 E CA 0.998 57.367 56.400 -0.051 0.000 0.805 556 E CB 0.327 30.007 29.700 -0.033 0.000 0.744 556 E HN 0.322 nan 8.360 nan 0.000 0.451 557 K N 0.637 121.013 120.400 -0.040 0.000 2.296 557 K HA -0.004 4.269 4.320 -0.079 0.000 0.200 557 K C 0.700 177.278 176.600 -0.037 0.000 1.048 557 K CA 0.570 56.836 56.287 -0.034 0.000 0.966 557 K CB 0.096 32.579 32.500 -0.028 0.000 0.754 557 K HN 0.269 nan 8.250 nan 0.000 0.466 558 N N -0.309 118.364 118.700 -0.046 0.000 2.620 558 N HA 0.107 4.799 4.740 -0.079 0.000 0.277 558 N C 0.244 175.718 175.510 -0.059 0.000 1.726 558 N CA 0.191 53.214 53.050 -0.045 0.000 0.840 558 N CB 0.195 38.661 38.487 -0.035 0.000 1.379 558 N HN 0.069 nan 8.380 nan 0.000 0.506 559 G N 0.316 109.070 108.800 -0.077 0.000 2.915 559 G HA2 0.191 4.104 3.960 -0.079 0.000 0.291 559 G HA3 0.191 4.104 3.960 -0.079 0.000 0.291 559 G C 0.575 175.393 174.900 -0.138 0.000 1.445 559 G CA 0.677 45.713 45.100 -0.107 0.000 0.938 559 G HN 1.373 nan 8.290 nan 0.000 0.556 560 G N -1.421 107.261 108.800 -0.196 0.000 2.601 560 G HA2 0.137 4.050 3.960 -0.079 0.000 0.252 560 G HA3 0.137 4.050 3.960 -0.079 0.000 0.252 560 G C -0.148 174.511 174.900 -0.402 0.000 1.294 560 G CA 0.778 45.752 45.100 -0.210 0.000 0.912 560 G HN 1.848 nan 8.290 nan 0.000 0.574 561 Y N -0.755 119.529 120.300 -0.028 0.000 2.524 561 Y HA 0.660 5.162 4.550 -0.079 0.000 0.344 561 Y C 1.104 176.961 175.900 -0.072 0.000 1.012 561 Y CA -1.041 57.035 58.100 -0.039 0.000 1.068 561 Y CB 1.403 39.850 38.460 -0.021 0.000 1.249 561 Y HN 0.600 nan 8.280 nan 0.000 0.468 562 L N 2.724 123.985 121.223 0.062 0.000 2.479 562 L HA 0.395 4.688 4.340 -0.079 0.000 0.270 562 L C 0.018 176.832 176.870 -0.093 0.000 1.236 562 L CA -0.526 54.291 54.840 -0.039 0.000 0.823 562 L CB 0.054 42.067 42.059 -0.076 0.000 1.098 562 L HN 0.475 nan 8.230 nan 0.000 0.500 563 V N -1.892 117.951 119.914 -0.118 0.000 3.074 563 V HA 1.068 5.141 4.120 -0.079 0.000 0.314 563 V C -0.088 175.910 176.094 -0.159 0.000 1.117 563 V CA -0.185 62.029 62.300 -0.144 0.000 1.014 563 V CB 1.453 33.226 31.823 -0.083 0.000 1.057 563 V HN 1.065 nan 8.190 nan 0.000 0.438 564 G N 0.453 109.169 108.800 -0.141 0.000 2.627 564 G HA2 0.007 3.919 3.960 -0.079 0.000 0.680 564 G HA3 0.007 3.919 3.960 -0.079 0.000 0.680 564 G C -0.383 174.476 174.900 -0.068 0.000 1.341 564 G CA -0.349 44.696 45.100 -0.091 0.000 0.835 564 G HN 1.206 nan 8.290 nan 0.000 0.643 565 L N 0.483 121.744 121.223 0.062 0.000 2.263 565 L HA -0.107 4.185 4.340 -0.079 0.000 0.216 565 L C 2.848 179.892 176.870 0.290 0.000 1.111 565 L CA 2.372 57.340 54.840 0.213 0.000 0.773 565 L CB -0.304 41.856 42.059 0.168 0.000 0.906 565 L HN 0.914 nan 8.230 nan 0.000 0.439 566 T N -6.865 107.750 114.554 0.102 0.000 3.044 566 T HA 0.069 4.371 4.350 -0.079 0.000 0.260 566 T C 0.619 175.289 174.700 -0.051 0.000 1.019 566 T CA -0.409 61.777 62.100 0.144 0.000 0.921 566 T CB 0.019 68.930 68.868 0.072 0.000 1.053 566 T HN -0.051 nan 8.240 nan 0.000 0.533 567 D N 2.374 122.565 120.400 -0.349 0.000 2.671 567 D HA 0.287 4.879 4.640 -0.079 0.000 0.228 567 D C -1.167 174.715 176.300 -0.697 0.000 1.102 567 D CA 0.266 54.007 54.000 -0.431 0.000 1.044 567 D CB -0.530 40.047 40.800 -0.370 0.000 1.113 567 D HN 0.506 nan 8.370 nan 0.000 0.480 568 Y N -0.774 119.433 120.300 -0.156 0.000 2.571 568 Y HA 0.393 4.896 4.550 -0.079 0.000 0.341 568 Y C 0.143 175.782 175.900 -0.436 0.000 1.076 568 Y CA -1.062 56.828 58.100 -0.351 0.000 1.029 568 Y CB 1.267 39.301 38.460 -0.708 0.000 1.308 568 Y HN -0.102 nan 8.280 nan 0.000 0.461 569 I N 3.684 124.144 120.570 -0.183 0.000 2.297 569 I HA 0.240 4.362 4.170 -0.079 0.000 0.291 569 I C -0.963 174.969 176.117 -0.308 0.000 1.033 569 I CA -0.206 60.982 61.300 -0.187 0.000 1.253 569 I CB 0.124 38.105 38.000 -0.032 0.000 1.396 569 I HN 0.343 nan 8.210 nan 0.000 0.476 570 F N 4.727 124.575 119.950 -0.169 0.000 2.384 570 F HA 0.481 4.960 4.527 -0.079 0.000 0.338 570 F C 0.832 176.522 175.800 -0.183 0.000 1.103 570 F CA -0.107 57.726 58.000 -0.279 0.000 1.157 570 F CB 1.479 39.966 39.000 -0.854 0.000 1.167 570 F HN 0.476 nan 8.300 nan 0.000 0.529 571 S N 1.144 116.921 115.700 0.129 0.000 2.656 571 S HA 0.961 5.383 4.470 -0.079 0.000 0.273 571 S C -1.315 173.398 174.600 0.188 0.000 1.168 571 S CA -0.733 57.532 58.200 0.109 0.000 0.817 571 S CB 1.852 65.114 63.200 0.102 0.000 1.146 571 S HN 1.204 nan 8.310 nan 0.000 0.475 572 A N 0.132 123.056 122.820 0.174 0.000 2.555 572 A HA 0.764 5.036 4.320 -0.079 0.000 0.297 572 A C -1.388 176.335 177.584 0.231 0.000 1.060 572 A CA -0.505 51.647 52.037 0.193 0.000 0.710 572 A CB 1.379 20.477 19.000 0.164 0.000 1.282 572 A HN 1.882 nan 8.150 nan 0.000 0.399 573 V N 2.414 122.419 119.914 0.153 0.000 2.604 573 V HA 0.882 4.955 4.120 -0.079 0.000 0.305 573 V C -0.221 175.836 176.094 -0.061 0.000 1.043 573 V CA 0.342 62.639 62.300 -0.004 0.000 0.888 573 V CB 1.939 33.452 31.823 -0.516 0.000 0.995 573 V HN 1.792 nan 8.190 nan 0.000 0.429 574 S N 7.112 122.786 115.700 -0.043 0.000 2.526 574 S HA 0.815 5.237 4.470 -0.079 0.000 0.293 574 S C -0.924 173.668 174.600 -0.013 0.000 1.092 574 S CA -0.868 57.322 58.200 -0.016 0.000 0.980 574 S CB 1.803 65.014 63.200 0.017 0.000 1.048 574 S HN 0.731 nan 8.310 nan 0.000 0.483 575 M N 3.164 122.764 119.600 0.001 0.000 2.142 575 M HA 0.486 4.918 4.480 -0.079 0.000 0.299 575 M C -0.955 175.374 176.300 0.049 0.000 0.960 575 M CA -0.417 54.898 55.300 0.024 0.000 0.920 575 M CB 2.282 34.880 32.600 -0.004 0.000 1.541 575 M HN 0.920 nan 8.290 nan 0.000 0.429 576 S N 2.583 118.336 115.700 0.087 0.000 2.548 576 S HA 0.781 5.204 4.470 -0.079 0.000 0.276 576 S C -3.179 171.469 174.600 0.079 0.000 1.129 576 S CA -1.583 56.671 58.200 0.091 0.000 0.931 576 S CB 2.062 65.333 63.200 0.119 0.000 1.068 576 S HN 0.258 nan 8.310 nan 0.000 0.480 577 P HA 0.333 nan 4.420 nan 0.000 0.272 577 P C 0.754 178.070 177.300 0.026 0.000 1.223 577 P CA -0.295 62.826 63.100 0.036 0.000 0.784 577 P CB 0.506 32.219 31.700 0.022 0.000 0.923 578 A N 2.475 125.312 122.820 0.029 0.000 1.908 578 A HA -0.246 4.026 4.320 -0.079 0.000 0.218 578 A C 1.747 179.341 177.584 0.017 0.000 1.181 578 A CA 1.905 53.958 52.037 0.026 0.000 0.627 578 A CB -1.179 17.840 19.000 0.032 0.000 0.818 578 A HN 0.554 nan 8.150 nan 0.000 0.445 579 E N -0.326 119.882 120.200 0.014 0.000 2.072 579 E HA -0.062 4.241 4.350 -0.079 0.000 0.191 579 E C 0.937 177.538 176.600 0.002 0.000 0.985 579 E CA 1.233 57.638 56.400 0.008 0.000 0.801 579 E CB -0.078 29.628 29.700 0.009 0.000 0.750 579 E HN 0.725 nan 8.360 nan 0.000 0.452 580 N N 0.060 118.758 118.700 -0.003 0.000 2.732 580 N HA 0.167 4.859 4.740 -0.079 0.000 0.247 580 N C -2.940 172.554 175.510 -0.027 0.000 1.305 580 N CA -1.538 51.504 53.050 -0.013 0.000 0.762 580 N CB 0.949 39.427 38.487 -0.015 0.000 1.361 580 N HN -0.175 nan 8.380 nan 0.000 0.545 581 P HA 0.114 nan 4.420 nan 0.000 0.266 581 P C -0.334 176.899 177.300 -0.111 0.000 1.195 581 P CA 0.023 63.101 63.100 -0.037 0.000 0.768 581 P CB 1.048 32.746 31.700 -0.004 0.000 0.838 582 D N 0.828 121.093 120.400 -0.224 0.000 2.431 582 D HA 0.123 4.716 4.640 -0.079 0.000 0.227 582 D C 0.018 175.915 176.300 -0.672 0.000 1.030 582 D CA 1.084 54.759 54.000 -0.541 0.000 0.897 582 D CB 0.187 40.458 40.800 -0.882 0.000 1.058 582 D HN 0.272 nan 8.370 nan 0.000 0.500 583 F N 0.626 120.592 119.950 0.027 0.000 2.540 583 F HA 0.482 4.961 4.527 -0.079 0.000 0.317 583 F C 0.015 175.829 175.800 0.024 0.000 1.104 583 F CA -0.951 57.067 58.000 0.030 0.000 0.913 583 F CB 1.774 40.788 39.000 0.023 0.000 1.170 583 F HN -0.353 nan 8.300 nan 0.000 0.450 584 I N 4.287 124.997 120.570 0.234 0.000 2.378 584 I HA 0.431 4.554 4.170 -0.079 0.000 0.291 584 I C -1.236 174.971 176.117 0.149 0.000 0.992 584 I CA -0.905 60.478 61.300 0.139 0.000 1.154 584 I CB 1.848 39.920 38.000 0.120 0.000 1.315 584 I HN 0.351 nan 8.210 nan 0.000 0.448 585 L N 8.036 129.325 121.223 0.110 0.000 2.356 585 L HA 0.499 4.792 4.340 -0.079 0.000 0.277 585 L C -1.655 175.340 176.870 0.207 0.000 0.996 585 L CA -0.447 54.472 54.840 0.131 0.000 0.822 585 L CB 1.300 43.398 42.059 0.066 0.000 1.256 585 L HN 0.428 nan 8.230 nan 0.000 0.413 586 Y N 5.155 125.516 120.300 0.101 0.000 2.326 586 Y HA 0.714 5.216 4.550 -0.079 0.000 0.331 586 Y C -1.309 174.690 175.900 0.165 0.000 0.962 586 Y CA -1.082 57.104 58.100 0.143 0.000 1.167 586 Y CB 1.632 40.237 38.460 0.241 0.000 1.148 586 Y HN 0.373 nan 8.280 nan 0.000 0.463 587 V N 5.524 125.366 119.914 -0.120 0.000 2.448 587 V HA 0.574 4.647 4.120 -0.079 0.000 0.295 587 V C -0.446 175.470 176.094 -0.297 0.000 1.025 587 V CA -0.646 61.586 62.300 -0.113 0.000 0.859 587 V CB 1.815 33.716 31.823 0.130 0.000 0.988 587 V HN 0.833 nan 8.190 nan 0.000 0.431 588 T N 1.363 115.744 114.554 -0.288 0.000 2.824 588 T HA 0.800 5.102 4.350 -0.079 0.000 0.282 588 T C -0.908 173.697 174.700 -0.159 0.000 0.993 588 T CA -0.775 61.164 62.100 -0.269 0.000 0.967 588 T CB 1.772 70.411 68.868 -0.382 0.000 0.960 588 T HN 0.320 nan 8.240 nan 0.000 0.441 589 V N 3.193 123.031 119.914 -0.126 0.000 2.462 589 V HA 0.407 4.480 4.120 -0.079 0.000 0.288 589 V C -0.304 175.744 176.094 -0.076 0.000 1.020 589 V CA -0.751 61.471 62.300 -0.129 0.000 0.857 589 V CB 1.423 33.137 31.823 -0.181 0.000 1.013 589 V HN 1.028 nan 8.190 nan 0.000 0.431 590 Q N 3.492 123.257 119.800 -0.058 0.000 2.257 590 Q HA 0.440 4.733 4.340 -0.079 0.000 0.255 590 Q C -0.185 175.810 176.000 -0.007 0.000 0.920 590 Q CA -0.350 55.443 55.803 -0.017 0.000 0.927 590 Q CB 0.816 29.579 28.738 0.042 0.000 1.229 590 Q HN 0.729 nan 8.270 nan 0.000 0.433 591 Q N 2.141 121.950 119.800 0.015 0.000 2.437 591 Q HA -0.192 4.101 4.340 -0.079 0.000 0.354 591 Q C -2.285 173.713 176.000 -0.004 0.000 1.402 591 Q CA 0.241 56.054 55.803 0.016 0.000 1.020 591 Q CB -1.076 27.641 28.738 -0.034 0.000 1.220 591 Q HN 0.532 nan 8.270 nan 0.000 0.368 592 P HA 0.039 nan 4.420 nan 0.000 0.278 592 P C -0.094 177.168 177.300 -0.065 0.000 1.266 592 P CA -0.171 62.905 63.100 -0.039 0.000 0.807 592 P CB 0.865 32.548 31.700 -0.028 0.000 1.094 593 E N -0.946 119.136 120.200 -0.196 0.000 2.140 593 E HA -0.015 4.288 4.350 -0.079 0.000 0.191 593 E C 0.237 176.527 176.600 -0.518 0.000 0.973 593 E CA 0.778 56.941 56.400 -0.396 0.000 0.829 593 E CB 0.046 29.392 29.700 -0.590 0.000 0.781 593 E HN 0.546 nan 8.360 nan 0.000 0.466 594 H N -1.637 117.439 119.070 0.010 0.000 2.895 594 H HA 0.410 4.919 4.556 -0.079 0.000 0.373 594 H C -1.549 173.795 175.328 0.025 0.000 1.174 594 H CA -0.670 55.382 56.048 0.007 0.000 1.144 594 H CB 1.624 31.377 29.762 -0.015 0.000 1.793 594 H HN -0.031 nan 8.280 nan 0.000 0.551 595 Y N 0.857 121.111 120.300 -0.076 0.000 2.573 595 Y HA 0.384 4.886 4.550 -0.079 0.000 0.328 595 Y C -1.482 174.289 175.900 -0.215 0.000 1.170 595 Y CA -0.430 57.534 58.100 -0.228 0.000 1.078 595 Y CB 1.653 39.755 38.460 -0.597 0.000 1.341 595 Y HN 0.909 nan 8.280 nan 0.000 0.459 596 S N 1.434 116.521 115.700 -1.020 0.000 2.611 596 S HA 0.439 4.862 4.470 -0.079 0.000 0.270 596 S C 0.272 174.467 174.600 -0.674 0.000 1.131 596 S CA -0.471 57.340 58.200 -0.650 0.000 0.826 596 S CB 0.888 63.913 63.200 -0.291 0.000 1.095 596 S HN 1.431 nan 8.310 nan 0.000 0.461 597 G N 0.499 109.081 108.800 -0.363 0.000 2.479 597 G HA2 -0.031 3.882 3.960 -0.079 0.000 0.220 597 G HA3 -0.031 3.882 3.960 -0.079 0.000 0.220 597 G C 0.906 175.688 174.900 -0.196 0.000 1.115 597 G CA 1.109 46.071 45.100 -0.230 0.000 0.757 597 G HN 0.607 nan 8.290 nan 0.000 0.560 598 I N 0.328 120.784 120.570 -0.190 0.000 2.202 598 I HA -0.092 4.030 4.170 -0.079 0.000 0.242 598 I C 2.826 178.867 176.117 -0.128 0.000 1.091 598 I CA 1.117 62.334 61.300 -0.138 0.000 1.368 598 I CB -0.473 37.460 38.000 -0.112 0.000 1.058 598 I HN 0.061 nan 8.210 nan 0.000 0.410 599 Q N -0.243 119.476 119.800 -0.135 0.000 2.079 599 Q HA -0.154 4.139 4.340 -0.079 0.000 0.200 599 Q C 2.185 178.107 176.000 -0.131 0.000 0.974 599 Q CA 1.248 57.033 55.803 -0.030 0.000 0.840 599 Q CB -0.605 28.203 28.738 0.117 0.000 0.898 599 Q HN 0.418 nan 8.270 nan 0.000 0.430 600 L N -0.027 121.089 121.223 -0.178 0.000 2.042 600 L HA -0.087 4.205 4.340 -0.079 0.000 0.210 600 L C 1.900 178.651 176.870 -0.197 0.000 1.076 600 L CA 2.385 57.093 54.840 -0.220 0.000 0.749 600 L CB -1.030 41.002 42.059 -0.046 0.000 0.893 600 L HN 0.245 nan 8.230 nan 0.000 0.432 601 G N -1.268 107.442 108.800 -0.150 0.000 2.402 601 G HA2 -0.221 3.691 3.960 -0.079 0.000 0.216 601 G HA3 -0.221 3.691 3.960 -0.079 0.000 0.216 601 G C 1.405 176.219 174.900 -0.143 0.000 1.162 601 G CA 0.648 45.671 45.100 -0.129 0.000 0.777 601 G HN 0.550 nan 8.290 nan 0.000 0.539 602 E N -0.604 119.518 120.200 -0.128 0.000 2.265 602 E HA -0.096 4.206 4.350 -0.079 0.000 0.196 602 E C 1.894 178.414 176.600 -0.133 0.000 0.996 602 E CA 0.636 56.975 56.400 -0.101 0.000 0.832 602 E CB -0.121 29.546 29.700 -0.055 0.000 0.756 602 E HN 0.550 nan 8.360 nan 0.000 0.491 603 F N 0.510 120.227 119.950 -0.389 0.000 2.274 603 F HA 0.190 4.669 4.527 -0.080 0.000 0.288 603 F C 2.056 177.646 175.800 -0.349 0.000 1.069 603 F CA 1.093 58.805 58.000 -0.480 0.000 1.343 603 F CB -0.183 38.205 39.000 -1.020 0.000 1.089 603 F HN -0.087 nan 8.300 nan 0.000 0.517 604 A N 0.338 122.842 122.820 -0.526 0.000 1.943 604 A HA 0.006 4.279 4.320 -0.079 0.000 0.213 604 A C 1.892 179.278 177.584 -0.329 0.000 1.181 604 A CA 1.082 52.817 52.037 -0.503 0.000 0.653 604 A CB -0.743 18.144 19.000 -0.187 0.000 0.833 604 A HN 0.433 nan 8.150 nan 0.000 0.451 605 N N 0.521 119.088 118.700 -0.220 0.000 2.120 605 N HA -0.089 4.604 4.740 -0.079 0.000 0.188 605 N C -0.945 174.499 175.510 -0.110 0.000 1.024 605 N CA 1.642 54.610 53.050 -0.138 0.000 0.852 605 N CB -1.604 36.824 38.487 -0.098 0.000 1.003 605 N HN 0.312 nan 8.380 nan 0.000 0.424 606 P HA 0.026 nan 4.420 nan 0.000 0.221 606 P C 1.447 178.827 177.300 0.133 0.000 1.150 606 P CA 0.731 63.858 63.100 0.046 0.000 0.800 606 P CB 0.119 31.896 31.700 0.129 0.000 0.787 607 I N -1.435 119.094 120.570 -0.068 0.000 2.233 607 I HA -0.180 3.943 4.170 -0.079 0.000 0.243 607 I C 2.192 178.220 176.117 -0.148 0.000 1.093 607 I CA 1.213 62.461 61.300 -0.086 0.000 1.380 607 I CB -0.585 37.186 38.000 -0.381 0.000 1.067 607 I HN -0.110 nan 8.210 nan 0.000 0.413 608 L N 0.496 121.611 121.223 -0.180 0.000 2.056 608 L HA -0.210 4.083 4.340 -0.079 0.000 0.207 608 L C 2.630 179.418 176.870 -0.137 0.000 1.078 608 L CA 1.439 56.169 54.840 -0.183 0.000 0.749 608 L CB -0.631 41.361 42.059 -0.113 0.000 0.901 608 L HN 0.340 nan 8.230 nan 0.000 0.433 609 E N 0.692 120.842 120.200 -0.084 0.000 2.031 609 E HA -0.309 3.993 4.350 -0.079 0.000 0.193 609 E C 2.311 178.866 176.600 -0.075 0.000 0.994 609 E CA 1.380 57.746 56.400 -0.057 0.000 0.800 609 E CB 0.029 29.703 29.700 -0.043 0.000 0.752 609 E HN 0.157 nan 8.360 nan 0.000 0.447 610 R N 0.626 121.069 120.500 -0.095 0.000 2.091 610 R HA -0.120 4.172 4.340 -0.079 0.000 0.238 610 R C 2.143 178.364 176.300 -0.132 0.000 1.136 610 R CA 1.863 57.886 56.100 -0.129 0.000 0.959 610 R CB -0.852 29.348 30.300 -0.166 0.000 0.856 610 R HN 0.295 nan 8.270 nan 0.000 0.437 611 A N -0.662 122.023 122.820 -0.226 0.000 1.908 611 A HA -0.155 4.118 4.320 -0.079 0.000 0.218 611 A C 2.237 179.728 177.584 -0.154 0.000 1.181 611 A CA 2.063 53.844 52.037 -0.426 0.000 0.627 611 A CB -0.753 17.607 19.000 -1.066 0.000 0.818 611 A HN 0.446 nan 8.150 nan 0.000 0.445 612 S N -0.003 115.686 115.700 -0.019 0.000 2.345 612 S HA -0.001 4.422 4.470 -0.079 0.000 0.220 612 S C 2.378 177.047 174.600 0.115 0.000 1.031 612 S CA 1.157 59.474 58.200 0.195 0.000 0.996 612 S CB -0.645 62.634 63.200 0.131 0.000 0.882 612 S HN 0.824 nan 8.310 nan 0.000 0.445 613 A N 2.495 125.336 122.820 0.036 0.000 1.873 613 A HA -0.145 4.127 4.320 -0.079 0.000 0.218 613 A C 2.007 179.608 177.584 0.028 0.000 1.193 613 A CA 2.002 54.049 52.037 0.017 0.000 0.629 613 A CB -0.788 18.200 19.000 -0.021 0.000 0.826 613 A HN 0.692 nan 8.150 nan 0.000 0.447 614 M N -1.706 117.910 119.600 0.026 0.000 2.723 614 M HA 0.357 4.790 4.480 -0.079 0.000 0.270 614 M C 0.992 177.348 176.300 0.093 0.000 1.282 614 M CA 0.299 55.622 55.300 0.039 0.000 0.995 614 M CB 0.187 32.794 32.600 0.012 0.000 1.430 614 M HN 0.274 nan 8.290 nan 0.000 0.477 615 K N 1.570 122.053 120.400 0.137 0.000 2.009 615 K HA -0.185 4.088 4.320 -0.079 0.000 0.210 615 K C 1.091 177.761 176.600 0.116 0.000 1.049 615 K CA 2.415 58.819 56.287 0.196 0.000 0.929 615 K CB -0.000 32.604 32.500 0.174 0.000 0.714 615 K HN 0.517 nan 8.250 nan 0.000 0.440 616 D N -0.011 120.432 120.400 0.072 0.000 2.123 616 D HA -0.160 4.432 4.640 -0.079 0.000 0.196 616 D C 1.876 178.206 176.300 0.051 0.000 0.992 616 D CA 1.293 55.322 54.000 0.048 0.000 0.833 616 D CB -0.420 40.399 40.800 0.032 0.000 0.954 616 D HN 0.235 nan 8.370 nan 0.000 0.455 617 S N -0.006 115.725 115.700 0.052 0.000 2.465 617 S HA -0.105 4.318 4.470 -0.079 0.000 0.241 617 S C 1.934 176.572 174.600 0.064 0.000 1.000 617 S CA 0.494 58.723 58.200 0.048 0.000 0.964 617 S CB -0.217 63.007 63.200 0.040 0.000 0.763 617 S HN 0.221 nan 8.310 nan 0.000 0.512 618 L N 0.335 121.610 121.223 0.086 0.000 2.477 618 L HA 0.260 4.553 4.340 -0.079 0.000 0.220 618 L C 0.363 177.287 176.870 0.091 0.000 1.106 618 L CA 0.171 55.074 54.840 0.106 0.000 0.851 618 L CB -0.766 41.388 42.059 0.157 0.000 0.994 618 L HN 0.291 nan 8.230 nan 0.000 0.462 619 N N 0.008 118.749 118.700 0.068 0.000 2.714 619 N HA -0.219 4.474 4.740 -0.079 0.000 0.253 619 N C 0.624 176.167 175.510 0.054 0.000 1.024 619 N CA -0.139 52.940 53.050 0.049 0.000 0.726 619 N CB -0.907 37.604 38.487 0.040 0.000 0.908 619 N HN 0.088 nan 8.380 nan 0.000 0.542 620 L N 0.098 121.354 121.223 0.055 0.000 2.083 620 L HA -0.146 4.147 4.340 -0.079 0.000 0.209 620 L C 1.754 178.643 176.870 0.032 0.000 1.083 620 L CA 1.933 56.803 54.840 0.051 0.000 0.752 620 L CB -0.121 41.952 42.059 0.023 0.000 0.899 620 L HN 0.463 nan 8.230 nan 0.000 0.433 621 Q N -0.827 118.983 119.800 0.017 0.000 2.211 621 Q HA 0.227 4.520 4.340 -0.079 0.000 0.301 621 Q C -0.455 175.551 176.000 0.010 0.000 0.884 621 Q CA -0.088 55.722 55.803 0.012 0.000 1.115 621 Q CB 0.580 29.319 28.738 0.002 0.000 1.217 621 Q HN 0.394 nan 8.270 nan 0.000 0.451 622 T N -3.349 111.213 114.554 0.013 0.000 2.903 622 T HA 0.453 4.756 4.350 -0.079 0.000 0.299 622 T C 0.300 175.001 174.700 0.002 0.000 1.093 622 T CA -0.633 61.469 62.100 0.004 0.000 1.002 622 T CB 2.015 70.884 68.868 0.002 0.000 1.127 622 T HN -0.157 nan 8.240 nan 0.000 0.488 623 T N 1.831 116.377 114.554 -0.013 0.000 2.726 623 T HA 0.539 4.841 4.350 -0.079 0.000 0.294 623 T C 0.954 175.627 174.700 -0.044 0.000 1.013 623 T CA -0.140 61.944 62.100 -0.027 0.000 0.996 623 T CB -0.033 68.809 68.868 -0.043 0.000 1.016 623 T HN 1.078 nan 8.240 nan 0.000 0.529 624 A N 1.135 123.905 122.820 -0.083 0.000 2.548 624 A HA 0.145 4.418 4.320 -0.079 0.000 0.247 624 A C 1.517 179.021 177.584 -0.134 0.000 1.067 624 A CA -0.138 51.824 52.037 -0.126 0.000 0.757 624 A CB -0.113 18.703 19.000 -0.305 0.000 0.996 624 A HN 0.811 nan 8.150 nan 0.000 0.504 625 K N 3.025 123.373 120.400 -0.087 0.000 2.209 625 K HA -0.081 4.192 4.320 -0.079 0.000 0.204 625 K C 1.797 178.328 176.600 -0.115 0.000 1.048 625 K CA 2.147 58.387 56.287 -0.078 0.000 0.940 625 K CB -0.267 32.208 32.500 -0.042 0.000 0.729 625 K HN 0.741 nan 8.250 nan 0.000 0.451 626 A N -0.078 122.643 122.820 -0.164 0.000 1.929 626 A HA 0.002 4.275 4.320 -0.079 0.000 0.216 626 A C 1.390 178.819 177.584 -0.260 0.000 1.176 626 A CA 1.092 53.008 52.037 -0.202 0.000 0.628 626 A CB -0.284 18.586 19.000 -0.217 0.000 0.816 626 A HN 0.249 nan 8.150 nan 0.000 0.444 627 L N 0.237 121.262 121.223 -0.329 0.000 2.645 627 L HA 0.165 4.458 4.340 -0.079 0.000 0.234 627 L C 1.616 178.389 176.870 -0.161 0.000 1.165 627 L CA 0.678 55.345 54.840 -0.287 0.000 0.944 627 L CB -0.723 41.134 42.059 -0.336 0.000 1.149 627 L HN 0.557 nan 8.230 nan 0.000 0.446 628 E N -0.343 119.776 120.200 -0.134 0.000 2.401 628 E HA -0.210 4.092 4.350 -0.079 0.000 0.199 628 E C 1.365 177.928 176.600 -0.061 0.000 1.023 628 E CA 0.781 57.130 56.400 -0.085 0.000 0.859 628 E CB 0.403 30.061 29.700 -0.071 0.000 0.780 628 E HN 0.471 nan 8.360 nan 0.000 0.523 629 Q N -0.633 119.128 119.800 -0.066 0.000 2.396 629 Q HA 0.084 4.376 4.340 -0.079 0.000 0.220 629 Q C 0.365 176.353 176.000 -0.020 0.000 0.900 629 Q CA 0.208 55.987 55.803 -0.039 0.000 0.925 629 Q CB 0.864 29.578 28.738 -0.039 0.000 1.065 629 Q HN 0.072 nan 8.270 nan 0.000 0.535 630 V N 3.484 123.387 119.914 -0.019 0.000 2.341 630 V HA -0.000 4.072 4.120 -0.079 0.000 0.248 630 V C 1.269 177.374 176.094 0.018 0.000 1.107 630 V CA 0.590 62.906 62.300 0.028 0.000 1.069 630 V CB -0.108 31.769 31.823 0.090 0.000 1.177 630 V HN 0.259 nan 8.190 nan 0.000 0.492 631 S N 2.225 117.933 115.700 0.013 0.000 2.593 631 S HA 0.115 4.537 4.470 -0.079 0.000 0.217 631 S C 0.632 175.240 174.600 0.012 0.000 0.966 631 S CA -0.257 57.947 58.200 0.006 0.000 0.914 631 S CB 0.023 63.224 63.200 0.001 0.000 0.776 631 S HN 0.631 nan 8.310 nan 0.000 0.523 632 Q N 2.375 122.189 119.800 0.023 0.000 2.267 632 Q HA 0.340 4.633 4.340 -0.079 0.000 0.255 632 Q C -0.816 175.197 176.000 0.021 0.000 0.923 632 Q CA 0.034 55.849 55.803 0.020 0.000 0.925 632 Q CB 0.884 29.636 28.738 0.024 0.000 1.195 632 Q HN 0.490 nan 8.270 nan 0.000 0.417 633 Q N 1.855 121.662 119.800 0.013 0.000 2.278 633 Q HA 0.429 4.721 4.340 -0.079 0.000 0.257 633 Q C -0.548 175.458 176.000 0.011 0.000 0.928 633 Q CA -0.565 55.245 55.803 0.012 0.000 0.932 633 Q CB 1.432 30.176 28.738 0.010 0.000 1.221 633 Q HN 0.628 nan 8.270 nan 0.000 0.434 634 S N 4.471 120.176 115.700 0.008 0.000 2.560 634 S HA 0.161 4.583 4.470 -0.079 0.000 0.284 634 S C -1.885 172.737 174.600 0.036 0.000 1.327 634 S CA -0.801 57.402 58.200 0.006 0.000 1.055 634 S CB -0.042 63.155 63.200 -0.005 0.000 0.868 634 S HN 0.466 nan 8.310 nan 0.000 0.506 635 P HA 0.293 nan 4.420 nan 0.000 0.282 635 P C -1.407 175.972 177.300 0.132 0.000 1.249 635 P CA -0.370 62.767 63.100 0.061 0.000 0.806 635 P CB 0.518 32.233 31.700 0.024 0.000 0.984 636 Y N 3.870 124.160 120.300 -0.017 0.000 2.361 636 Y HA 0.403 4.906 4.550 -0.079 0.000 0.328 636 Y C -2.786 173.105 175.900 -0.014 0.000 1.044 636 Y CA -2.678 55.412 58.100 -0.016 0.000 1.085 636 Y CB 2.171 40.622 38.460 -0.015 0.000 1.194 636 Y HN 0.241 nan 8.280 nan 0.000 0.438 637 P HA 0.186 nan 4.420 nan 0.000 0.288 637 P C -0.596 176.313 177.300 -0.651 0.000 1.267 637 P CA -0.530 62.297 63.100 -0.455 0.000 0.815 637 P CB 1.473 33.002 31.700 -0.285 0.000 0.989 638 M N 5.968 125.366 119.600 -0.336 0.000 2.364 638 M HA 0.233 4.665 4.480 -0.079 0.000 0.342 638 M C -2.418 173.773 176.300 -0.182 0.000 1.601 638 M CA -1.672 53.495 55.300 -0.221 0.000 1.156 638 M CB -0.656 31.889 32.600 -0.091 0.000 1.912 638 M HN 0.161 nan 8.290 nan 0.000 0.460 639 P HA 0.032 nan 4.420 nan 0.000 0.272 639 P C -0.889 176.383 177.300 -0.048 0.000 1.248 639 P CA -0.270 62.781 63.100 -0.082 0.000 0.799 639 P CB 0.444 32.137 31.700 -0.012 0.000 0.997 640 S N -0.311 115.369 115.700 -0.034 0.000 2.576 640 S HA 0.132 4.555 4.470 -0.079 0.000 0.276 640 S C 0.901 175.492 174.600 -0.016 0.000 1.339 640 S CA -0.495 57.690 58.200 -0.026 0.000 1.039 640 S CB -0.217 62.969 63.200 -0.023 0.000 0.902 640 S HN 0.301 nan 8.310 nan 0.000 0.516 641 V N 1.187 121.089 119.914 -0.019 0.000 3.444 641 V HA 0.512 4.584 4.120 -0.079 0.000 0.308 641 V C 0.243 176.324 176.094 -0.021 0.000 1.371 641 V CA -0.327 61.963 62.300 -0.017 0.000 1.141 641 V CB -0.639 31.169 31.823 -0.026 0.000 1.037 641 V HN 0.590 nan 8.190 nan 0.000 0.433 642 K N 1.329 121.717 120.400 -0.020 0.000 2.130 642 K HA 0.354 4.626 4.320 -0.079 0.000 0.268 642 K C 0.277 176.870 176.600 -0.013 0.000 0.983 642 K CA 0.114 56.389 56.287 -0.020 0.000 0.893 642 K CB 0.355 32.842 32.500 -0.021 0.000 1.066 642 K HN 0.317 nan 8.250 nan 0.000 0.450 643 D N 1.700 122.093 120.400 -0.012 0.000 2.751 643 D HA -0.259 4.334 4.640 -0.079 0.000 0.233 643 D C -0.515 175.784 176.300 -0.002 0.000 1.149 643 D CA 1.052 55.047 54.000 -0.007 0.000 0.682 643 D CB -1.022 39.774 40.800 -0.007 0.000 1.068 643 D HN 0.540 nan 8.370 nan 0.000 0.429 644 I N 0.000 120.570 120.570 -0.001 0.000 2.692 644 I HA 0.181 4.303 4.170 -0.079 0.000 0.293 644 I C -0.104 176.017 176.117 0.008 0.000 1.200 644 I CA -0.533 60.771 61.300 0.007 0.000 1.036 644 I CB 1.749 39.756 38.000 0.011 0.000 1.258 644 I HN -0.017 nan 8.210 nan 0.000 0.421 645 S N 5.973 121.682 115.700 0.014 0.000 2.592 645 S HA 0.425 4.847 4.470 -0.079 0.000 0.271 645 S C -2.084 172.530 174.600 0.024 0.000 1.326 645 S CA -0.871 57.339 58.200 0.016 0.000 1.024 645 S CB 1.195 64.407 63.200 0.019 0.000 0.921 645 S HN 0.511 nan 8.310 nan 0.000 0.527 646 P HA -0.061 nan 4.420 nan 0.000 0.216 646 P C 1.733 179.060 177.300 0.046 0.000 1.153 646 P CA 1.799 64.919 63.100 0.033 0.000 0.858 646 P CB -0.425 31.297 31.700 0.035 0.000 0.789 647 G N -0.387 108.442 108.800 0.048 0.000 2.418 647 G HA2 -0.239 3.674 3.960 -0.079 0.000 0.217 647 G HA3 -0.239 3.674 3.960 -0.079 0.000 0.217 647 G C 1.275 176.215 174.900 0.066 0.000 1.158 647 G CA 0.924 46.061 45.100 0.061 0.000 0.771 647 G HN 0.199 nan 8.290 nan 0.000 0.545 648 D N 0.151 120.584 120.400 0.056 0.000 2.149 648 D HA -0.054 4.539 4.640 -0.079 0.000 0.201 648 D C 2.365 178.699 176.300 0.057 0.000 0.972 648 D CA 0.135 54.169 54.000 0.058 0.000 0.835 648 D CB -0.074 40.754 40.800 0.047 0.000 0.966 648 D HN 0.163 nan 8.370 nan 0.000 0.476 649 L N 1.158 122.412 121.223 0.051 0.000 2.056 649 L HA -0.071 4.222 4.340 -0.079 0.000 0.207 649 L C 2.198 179.105 176.870 0.062 0.000 1.078 649 L CA 1.332 56.204 54.840 0.054 0.000 0.749 649 L CB -0.813 41.272 42.059 0.044 0.000 0.901 649 L HN -0.111 nan 8.230 nan 0.000 0.433 650 A N -0.161 122.695 122.820 0.060 0.000 1.908 650 A HA -0.247 4.026 4.320 -0.079 0.000 0.218 650 A C 2.075 179.695 177.584 0.060 0.000 1.181 650 A CA 1.739 53.812 52.037 0.061 0.000 0.627 650 A CB -0.513 18.527 19.000 0.067 0.000 0.818 650 A HN 0.578 nan 8.150 nan 0.000 0.445 651 E N -0.874 119.368 120.200 0.070 0.000 2.058 651 E HA -0.251 4.052 4.350 -0.079 0.000 0.194 651 E C 2.089 178.711 176.600 0.037 0.000 0.997 651 E CA 1.400 57.839 56.400 0.066 0.000 0.801 651 E CB -0.137 29.612 29.700 0.082 0.000 0.746 651 E HN 0.708 nan 8.360 nan 0.000 0.450 652 E N 1.177 121.407 120.200 0.049 0.000 2.049 652 E HA -0.203 4.100 4.350 -0.079 0.000 0.198 652 E C 2.001 178.621 176.600 0.033 0.000 1.007 652 E CA 1.245 57.677 56.400 0.053 0.000 0.809 652 E CB -0.337 29.414 29.700 0.084 0.000 0.749 652 E HN 0.198 nan 8.360 nan 0.000 0.450 653 L N -0.071 121.184 121.223 0.053 0.000 2.042 653 L HA -0.184 4.109 4.340 -0.079 0.000 0.210 653 L C 2.749 179.571 176.870 -0.080 0.000 1.076 653 L CA 1.655 56.511 54.840 0.027 0.000 0.749 653 L CB -0.438 41.661 42.059 0.067 0.000 0.893 653 L HN 0.155 nan 8.230 nan 0.000 0.432 654 R N -0.322 120.143 120.500 -0.058 0.000 2.148 654 R HA -0.072 4.221 4.340 -0.079 0.000 0.223 654 R C 2.267 178.460 176.300 -0.178 0.000 1.088 654 R CA 0.623 56.662 56.100 -0.101 0.000 0.985 654 R CB -0.163 30.104 30.300 -0.055 0.000 0.880 654 R HN 0.365 nan 8.270 nan 0.000 0.451 655 R N 0.385 120.796 120.500 -0.149 0.000 2.237 655 R HA 0.003 4.295 4.340 -0.079 0.000 0.219 655 R C 0.614 176.786 176.300 -0.213 0.000 1.080 655 R CA 0.693 56.699 56.100 -0.157 0.000 0.995 655 R CB 0.052 30.312 30.300 -0.066 0.000 0.875 655 R HN 0.216 nan 8.270 nan 0.000 0.462 656 N N 0.477 118.990 118.700 -0.311 0.000 2.328 656 N HA 0.079 4.772 4.740 -0.079 0.000 0.247 656 N C -0.379 174.893 175.510 -0.396 0.000 1.165 656 N CA -0.032 52.718 53.050 -0.501 0.000 0.873 656 N CB 0.953 38.725 38.487 -1.191 0.000 1.125 656 N HN -0.043 nan 8.380 nan 0.000 0.513 657 L N -0.669 120.405 121.223 -0.248 0.000 4.001 657 L HA -0.211 4.082 4.340 -0.079 0.000 0.413 657 L C -0.385 176.412 176.870 -0.121 0.000 1.185 657 L CA 0.575 55.317 54.840 -0.164 0.000 0.963 657 L CB -2.058 39.925 42.059 -0.126 0.000 1.976 657 L HN -0.060 nan 8.230 nan 0.000 0.939 658 V N -0.508 119.333 119.914 -0.122 0.000 2.612 658 V HA 0.340 4.412 4.120 -0.079 0.000 0.301 658 V C 0.781 176.857 176.094 -0.031 0.000 1.046 658 V CA -0.486 61.784 62.300 -0.050 0.000 0.946 658 V CB 1.861 33.686 31.823 0.003 0.000 1.003 658 V HN 0.228 nan 8.190 nan 0.000 0.459 659 Q N 5.391 125.180 119.800 -0.019 0.000 2.509 659 Q HA 0.304 4.597 4.340 -0.079 0.000 0.230 659 Q C -2.443 173.546 176.000 -0.018 0.000 1.089 659 Q CA -1.669 54.127 55.803 -0.013 0.000 0.901 659 Q CB 1.459 30.189 28.738 -0.013 0.000 1.208 659 Q HN 0.518 nan 8.270 nan 0.000 0.529 660 P HA 0.185 nan 4.420 nan 0.000 0.274 660 P C -0.470 176.826 177.300 -0.007 0.000 1.237 660 P CA -0.121 62.979 63.100 0.001 0.000 0.793 660 P CB 1.335 33.053 31.700 0.030 0.000 0.977 661 I N 1.439 121.991 120.570 -0.030 0.000 2.641 661 I HA 0.136 4.259 4.170 -0.079 0.000 0.275 661 I C -0.055 176.084 176.117 0.037 0.000 1.129 661 I CA -0.975 60.311 61.300 -0.023 0.000 1.094 661 I CB 1.708 39.566 38.000 -0.238 0.000 1.232 661 I HN -0.026 nan 8.210 nan 0.000 0.503 662 V N 6.001 125.964 119.914 0.082 0.000 2.655 662 V HA 0.116 4.189 4.120 -0.079 0.000 0.300 662 V C 0.320 176.498 176.094 0.140 0.000 1.044 662 V CA -0.064 62.294 62.300 0.097 0.000 1.095 662 V CB 1.463 33.336 31.823 0.084 0.000 0.952 662 V HN 0.339 nan 8.190 nan 0.000 0.485 663 V N 4.878 124.881 119.914 0.149 0.000 2.409 663 V HA 0.902 4.974 4.120 -0.079 0.000 0.291 663 V C 0.552 176.723 176.094 0.129 0.000 1.020 663 V CA 0.563 62.973 62.300 0.184 0.000 0.848 663 V CB 0.671 32.646 31.823 0.253 0.000 0.990 663 V HN 1.384 nan 8.190 nan 0.000 0.430 664 G N 4.403 113.268 108.800 0.107 0.000 2.660 664 G HA2 -0.077 3.835 3.960 -0.079 0.000 0.247 664 G HA3 -0.077 3.835 3.960 -0.079 0.000 0.247 664 G C 0.264 175.196 174.900 0.053 0.000 1.328 664 G CA 0.137 45.280 45.100 0.071 0.000 0.884 664 G HN 1.378 nan 8.290 nan 0.000 0.531 665 T N -1.914 112.662 114.554 0.037 0.000 3.091 665 T HA 0.593 4.896 4.350 -0.079 0.000 0.277 665 T C 1.313 176.025 174.700 0.021 0.000 0.996 665 T CA 1.220 63.337 62.100 0.028 0.000 0.897 665 T CB 0.543 69.424 68.868 0.021 0.000 1.109 665 T HN 2.018 nan 8.240 nan 0.000 0.534 666 G N 1.581 110.392 108.800 0.019 0.000 2.614 666 G HA2 0.347 4.259 3.960 -0.079 0.000 0.239 666 G HA3 0.347 4.259 3.960 -0.079 0.000 0.239 666 G C 1.063 175.968 174.900 0.009 0.000 1.240 666 G CA 0.265 45.371 45.100 0.010 0.000 0.842 666 G HN 0.370 nan 8.290 nan 0.000 0.584 667 T N -1.588 112.968 114.554 0.004 0.000 3.043 667 T HA 0.168 4.471 4.350 -0.079 0.000 0.263 667 T C 0.842 175.542 174.700 -0.000 0.000 1.094 667 T CA 0.615 62.717 62.100 0.004 0.000 1.127 667 T CB 0.069 68.937 68.868 0.001 0.000 0.905 667 T HN 0.449 nan 8.240 nan 0.000 0.490 668 K N 0.558 120.954 120.400 -0.007 0.000 2.281 668 K HA 0.648 4.921 4.320 -0.079 0.000 0.242 668 K C -0.930 175.656 176.600 -0.023 0.000 0.971 668 K CA -0.941 55.337 56.287 -0.015 0.000 0.834 668 K CB 2.140 34.627 32.500 -0.021 0.000 1.181 668 K HN 0.090 nan 8.250 nan 0.000 0.435 669 I N 2.223 122.774 120.570 -0.031 0.000 2.325 669 I HA 0.094 4.217 4.170 -0.079 0.000 0.291 669 I C 1.145 177.212 176.117 -0.085 0.000 1.019 669 I CA -0.003 61.267 61.300 -0.049 0.000 1.302 669 I CB 1.012 38.988 38.000 -0.039 0.000 1.401 669 I HN 0.661 nan 8.210 nan 0.000 0.485 670 K N 4.783 125.108 120.400 -0.125 0.000 2.353 670 K HA 0.174 4.446 4.320 -0.079 0.000 0.195 670 K C 0.199 176.627 176.600 -0.286 0.000 1.031 670 K CA 0.254 56.438 56.287 -0.172 0.000 1.079 670 K CB 0.448 32.852 32.500 -0.159 0.000 0.857 670 K HN 0.683 nan 8.250 nan 0.000 0.535 671 N N -0.515 117.985 118.700 -0.335 0.000 3.951 671 N HA 0.035 4.727 4.740 -0.079 0.000 0.222 671 N C -2.205 173.091 175.510 -0.356 0.000 1.352 671 N CA -0.092 52.659 53.050 -0.498 0.000 0.852 671 N CB 1.656 39.490 38.487 -1.087 0.000 1.444 671 N HN 0.107 nan 8.380 nan 0.000 0.473 672 S N -1.247 114.345 115.700 -0.180 0.000 2.547 672 S HA 0.369 4.791 4.470 -0.079 0.000 0.270 672 S C 0.520 175.345 174.600 0.375 0.000 1.150 672 S CA 0.033 58.324 58.200 0.151 0.000 0.850 672 S CB 1.034 64.272 63.200 0.062 0.000 1.118 672 S HN 0.635 nan 8.310 nan 0.000 0.461 673 S N 0.319 116.246 115.700 0.380 0.000 2.522 673 S HA 0.439 4.862 4.470 -0.079 0.000 0.227 673 S C 0.722 175.388 174.600 0.111 0.000 0.986 673 S CA 0.198 58.534 58.200 0.226 0.000 0.929 673 S CB -0.371 62.837 63.200 0.014 0.000 0.769 673 S HN 1.478 nan 8.310 nan 0.000 0.529 674 A N 0.977 123.850 122.820 0.088 0.000 2.355 674 A HA 0.661 4.934 4.320 -0.079 0.000 0.317 674 A C -0.434 177.169 177.584 0.031 0.000 1.094 674 A CA -0.813 51.250 52.037 0.042 0.000 0.764 674 A CB 1.067 20.081 19.000 0.024 0.000 1.230 674 A HN 0.406 nan 8.150 nan 0.000 0.448 675 E N 1.184 121.393 120.200 0.014 0.000 2.277 675 E HA 0.191 4.494 4.350 -0.079 0.000 0.274 675 E C -0.352 176.235 176.600 -0.023 0.000 1.022 675 E CA -0.540 55.859 56.400 -0.001 0.000 0.853 675 E CB 1.260 30.959 29.700 -0.000 0.000 1.086 675 E HN 0.752 nan 8.360 nan 0.000 0.397 676 E N 0.712 120.894 120.200 -0.030 0.000 2.652 676 E HA -0.131 4.172 4.350 -0.079 0.000 0.255 676 E C 0.736 177.302 176.600 -0.055 0.000 0.952 676 E CA 1.187 57.559 56.400 -0.047 0.000 0.947 676 E CB 0.091 29.766 29.700 -0.042 0.000 0.912 676 E HN 0.771 nan 8.360 nan 0.000 0.489 677 G N 4.437 113.188 108.800 -0.083 0.000 2.527 677 G HA2 -0.347 3.565 3.960 -0.079 0.000 0.218 677 G HA3 -0.347 3.565 3.960 -0.079 0.000 0.218 677 G C 0.364 175.215 174.900 -0.082 0.000 1.177 677 G CA 0.205 45.254 45.100 -0.084 0.000 0.695 677 G HN 0.645 nan 8.290 nan 0.000 0.517 678 K N 1.522 121.887 120.400 -0.059 0.000 2.591 678 K HA 0.097 4.369 4.320 -0.079 0.000 0.280 678 K C 0.421 176.986 176.600 -0.058 0.000 0.964 678 K CA 0.518 56.779 56.287 -0.044 0.000 1.014 678 K CB 0.052 32.537 32.500 -0.025 0.000 0.877 678 K HN 0.427 nan 8.250 nan 0.000 0.502 679 N N 3.141 121.818 118.700 -0.037 0.000 2.530 679 N HA 0.160 4.852 4.740 -0.079 0.000 0.273 679 N C -1.251 174.264 175.510 0.009 0.000 1.173 679 N CA -0.238 52.798 53.050 -0.024 0.000 0.967 679 N CB 0.490 38.972 38.487 -0.008 0.000 1.109 679 N HN 0.413 nan 8.380 nan 0.000 0.453 680 L N 2.557 123.814 121.223 0.057 0.000 2.318 680 L HA 0.559 4.852 4.340 -0.079 0.000 0.277 680 L C 0.264 177.201 176.870 0.111 0.000 1.008 680 L CA -1.065 53.839 54.840 0.105 0.000 0.846 680 L CB 1.223 43.406 42.059 0.207 0.000 1.220 680 L HN 0.599 nan 8.230 nan 0.000 0.423 681 A N 5.183 128.036 122.820 0.054 0.000 2.406 681 A HA 0.490 4.763 4.320 -0.079 0.000 0.243 681 A C -2.301 175.297 177.584 0.024 0.000 1.082 681 A CA -1.013 51.045 52.037 0.035 0.000 0.786 681 A CB -0.338 18.670 19.000 0.013 0.000 1.029 681 A HN 0.439 nan 8.150 nan 0.000 0.495 682 P HA 0.043 nan 4.420 nan 0.000 0.262 682 P C -0.186 177.104 177.300 -0.016 0.000 1.182 682 P CA 0.538 63.630 63.100 -0.014 0.000 0.761 682 P CB 0.163 31.854 31.700 -0.015 0.000 0.795 683 N N -0.424 118.261 118.700 -0.025 0.000 2.782 683 N HA -0.213 4.480 4.740 -0.079 0.000 0.251 683 N C 0.030 175.529 175.510 -0.018 0.000 1.101 683 N CA 0.781 53.819 53.050 -0.021 0.000 0.764 683 N CB -1.272 37.206 38.487 -0.015 0.000 1.122 683 N HN 0.634 nan 8.380 nan 0.000 0.561 684 Q N 0.961 120.753 119.800 -0.014 0.000 2.314 684 Q HA 0.117 4.410 4.340 -0.079 0.000 0.258 684 Q C -0.208 175.773 176.000 -0.033 0.000 0.954 684 Q CA 0.015 55.807 55.803 -0.018 0.000 0.890 684 Q CB 0.614 29.350 28.738 -0.002 0.000 1.210 684 Q HN 0.164 nan 8.270 nan 0.000 0.410 685 Q N 2.313 122.076 119.800 -0.062 0.000 2.293 685 Q HA 0.252 4.544 4.340 -0.079 0.000 0.263 685 Q C -1.067 174.868 176.000 -0.109 0.000 1.002 685 Q CA -0.245 55.495 55.803 -0.106 0.000 0.910 685 Q CB 1.225 29.860 28.738 -0.170 0.000 1.185 685 Q HN 0.369 nan 8.270 nan 0.000 0.401 686 V N 5.022 124.884 119.914 -0.085 0.000 2.350 686 V HA 0.247 4.319 4.120 -0.079 0.000 0.285 686 V C -0.005 176.054 176.094 -0.059 0.000 1.014 686 V CA -0.602 61.669 62.300 -0.049 0.000 0.831 686 V CB 1.199 33.027 31.823 0.009 0.000 1.000 686 V HN 0.717 nan 8.190 nan 0.000 0.433 687 L N 5.944 127.123 121.223 -0.072 0.000 2.410 687 L HA 0.432 4.725 4.340 -0.079 0.000 0.273 687 L C -0.406 176.573 176.870 0.181 0.000 1.152 687 L CA 0.111 54.936 54.840 -0.025 0.000 0.855 687 L CB 0.849 42.821 42.059 -0.145 0.000 1.129 687 L HN 0.540 nan 8.230 nan 0.000 0.463 688 I N 5.803 126.465 120.570 0.153 0.000 2.437 688 I HA 0.231 4.354 4.170 -0.079 0.000 0.279 688 I C -0.303 175.894 176.117 0.134 0.000 1.028 688 I CA -0.305 61.070 61.300 0.125 0.000 1.142 688 I CB 1.565 39.606 38.000 0.068 0.000 1.266 688 I HN 0.442 nan 8.210 nan 0.000 0.461 689 L N 6.631 127.904 121.223 0.083 0.000 2.325 689 L HA 0.291 4.584 4.340 -0.079 0.000 0.284 689 L C 0.893 177.738 176.870 -0.041 0.000 1.089 689 L CA 0.053 54.907 54.840 0.025 0.000 0.836 689 L CB 0.909 42.826 42.059 -0.236 0.000 1.184 689 L HN 0.736 nan 8.230 nan 0.000 0.444 690 S N 2.321 118.029 115.700 0.013 0.000 2.634 690 S HA 0.070 4.493 4.470 -0.079 0.000 0.261 690 S C 0.839 175.426 174.600 -0.021 0.000 1.271 690 S CA -0.375 57.823 58.200 -0.003 0.000 0.985 690 S CB 0.956 64.168 63.200 0.021 0.000 0.968 690 S HN 0.730 nan 8.310 nan 0.000 0.568 691 D N -1.133 119.253 120.400 -0.023 0.000 2.352 691 D HA 0.010 4.602 4.640 -0.079 0.000 0.232 691 D C 0.191 176.485 176.300 -0.011 0.000 1.055 691 D CA 0.269 54.252 54.000 -0.027 0.000 0.891 691 D CB -0.248 40.535 40.800 -0.028 0.000 0.897 691 D HN 0.602 nan 8.370 nan 0.000 0.529 692 K N 0.481 120.883 120.400 0.003 0.000 2.723 692 K HA 0.522 4.795 4.320 -0.079 0.000 0.229 692 K C -1.694 174.922 176.600 0.027 0.000 1.022 692 K CA -0.547 55.747 56.287 0.012 0.000 1.045 692 K CB 1.274 33.780 32.500 0.009 0.000 1.227 692 K HN -0.054 nan 8.250 nan 0.000 0.516 693 A N 4.206 127.048 122.820 0.036 0.000 2.664 693 A HA 0.315 4.588 4.320 -0.079 0.000 0.338 693 A C -0.162 177.451 177.584 0.048 0.000 1.280 693 A CA -0.573 51.498 52.037 0.057 0.000 0.809 693 A CB 0.373 19.427 19.000 0.090 0.000 1.114 693 A HN 0.863 nan 8.150 nan 0.000 0.479 694 E N 0.938 121.158 120.200 0.034 0.000 2.489 694 E HA 0.073 4.375 4.350 -0.079 0.000 0.204 694 E C -0.217 176.393 176.600 0.016 0.000 1.006 694 E CA 0.295 56.709 56.400 0.023 0.000 0.936 694 E CB 0.733 30.441 29.700 0.013 0.000 1.002 694 E HN 0.797 nan 8.360 nan 0.000 0.488 695 E N 0.765 120.976 120.200 0.018 0.000 2.277 695 E HA 0.305 4.608 4.350 -0.079 0.000 0.266 695 E C -0.898 175.702 176.600 -0.000 0.000 0.901 695 E CA -0.770 55.630 56.400 0.000 0.000 0.782 695 E CB 2.868 32.561 29.700 -0.012 0.000 1.228 695 E HN -0.172 nan 8.360 nan 0.000 0.424 696 V N 4.756 124.653 119.914 -0.028 0.000 2.450 696 V HA 0.068 4.141 4.120 -0.079 0.000 0.281 696 V C -1.809 174.237 176.094 -0.080 0.000 1.019 696 V CA -0.874 61.394 62.300 -0.053 0.000 1.062 696 V CB -0.270 31.506 31.823 -0.079 0.000 0.979 696 V HN 0.541 nan 8.190 nan 0.000 0.477 697 P HA 0.078 nan 4.420 nan 0.000 0.274 697 P C -0.512 176.614 177.300 -0.290 0.000 1.231 697 P CA -0.459 62.569 63.100 -0.120 0.000 0.790 697 P CB 0.751 32.455 31.700 0.006 0.000 0.951 698 D N 2.204 122.453 120.400 -0.251 0.000 2.349 698 D HA 0.049 4.641 4.640 -0.079 0.000 0.266 698 D C 0.698 176.623 176.300 -0.626 0.000 1.293 698 D CA 0.320 54.129 54.000 -0.318 0.000 0.926 698 D CB -0.100 40.589 40.800 -0.184 0.000 1.090 698 D HN 0.206 nan 8.370 nan 0.000 0.502 699 M N 3.419 122.496 119.600 -0.871 0.000 2.493 699 M HA 0.045 4.478 4.480 -0.079 0.000 0.244 699 M C -0.023 175.821 176.300 -0.761 0.000 1.182 699 M CA -0.559 53.790 55.300 -1.586 0.000 0.981 699 M CB 0.059 31.879 32.600 -1.300 0.000 1.551 699 M HN 0.327 nan 8.290 nan 0.000 0.476 700 Y N 1.276 121.319 120.300 -0.429 0.000 2.620 700 Y HA 0.258 4.760 4.550 -0.079 0.000 0.330 700 Y C 1.273 177.170 175.900 -0.004 0.000 1.186 700 Y CA 1.632 59.633 58.100 -0.165 0.000 1.467 700 Y CB 0.456 38.843 38.460 -0.121 0.000 1.262 700 Y HN 0.526 nan 8.280 nan 0.000 0.550 701 G N 3.271 111.861 108.800 -0.351 0.000 2.225 701 G HA2 -0.312 3.600 3.960 -0.079 0.000 0.254 701 G HA3 -0.312 3.600 3.960 -0.079 0.000 0.254 701 G C -0.273 174.731 174.900 0.174 0.000 0.988 701 G CA -0.110 44.960 45.100 -0.051 0.000 0.625 701 G HN 0.594 nan 8.290 nan 0.000 0.527 702 W N 2.578 123.825 121.300 -0.089 0.000 2.190 702 W HA 0.547 5.160 4.660 -0.079 0.000 0.330 702 W C 1.376 177.864 176.519 -0.052 0.000 1.299 702 W CA 0.103 57.418 57.345 -0.049 0.000 1.215 702 W CB 0.166 29.609 29.460 -0.029 0.000 1.147 702 W HN 0.432 nan 8.180 nan 0.000 0.563 703 T N -0.575 114.050 114.554 0.119 0.000 2.868 703 T HA 0.135 4.437 4.350 -0.079 0.000 0.292 703 T C 1.228 175.973 174.700 0.075 0.000 1.028 703 T CA -0.584 61.542 62.100 0.044 0.000 1.059 703 T CB 1.245 70.097 68.868 -0.026 0.000 0.991 703 T HN 0.553 nan 8.240 nan 0.000 0.531 704 K N 0.442 120.846 120.400 0.008 0.000 2.103 704 K HA -0.203 4.069 4.320 -0.079 0.000 0.207 704 K C 1.857 178.429 176.600 -0.048 0.000 1.048 704 K CA 1.814 58.067 56.287 -0.057 0.000 0.930 704 K CB -0.132 32.168 32.500 -0.334 0.000 0.716 704 K HN 0.709 nan 8.250 nan 0.000 0.444 705 E N -0.254 119.901 120.200 -0.075 0.000 2.047 705 E HA -0.119 4.183 4.350 -0.079 0.000 0.191 705 E C 2.000 178.543 176.600 -0.095 0.000 0.987 705 E CA 1.817 58.164 56.400 -0.089 0.000 0.799 705 E CB -0.529 29.113 29.700 -0.097 0.000 0.752 705 E HN 0.235 nan 8.360 nan 0.000 0.449 706 T N 0.688 115.178 114.554 -0.107 0.000 2.684 706 T HA -0.201 4.102 4.350 -0.079 0.000 0.267 706 T C 1.921 176.554 174.700 -0.112 0.000 1.036 706 T CA 1.523 63.490 62.100 -0.221 0.000 1.148 706 T CB -0.456 68.197 68.868 -0.357 0.000 0.863 706 T HN 0.302 nan 8.240 nan 0.000 0.436 707 A N 1.629 124.554 122.820 0.175 0.000 1.877 707 A HA -0.162 4.110 4.320 -0.079 0.000 0.216 707 A C 2.179 179.863 177.584 0.168 0.000 1.186 707 A CA 1.798 54.046 52.037 0.352 0.000 0.620 707 A CB -0.633 18.619 19.000 0.421 0.000 0.822 707 A HN 0.597 nan 8.150 nan 0.000 0.443 708 E N -0.820 119.467 120.200 0.146 0.000 2.118 708 E HA -0.141 4.161 4.350 -0.079 0.000 0.195 708 E C 2.044 178.584 176.600 -0.100 0.000 0.992 708 E CA 1.564 58.006 56.400 0.071 0.000 0.804 708 E CB -0.356 29.374 29.700 0.049 0.000 0.741 708 E HN 0.627 nan 8.360 nan 0.000 0.458 709 T N 1.630 116.042 114.554 -0.237 0.000 2.708 709 T HA -0.152 4.151 4.350 -0.079 0.000 0.266 709 T C 1.924 176.145 174.700 -0.799 0.000 1.037 709 T CA 0.970 62.744 62.100 -0.543 0.000 1.146 709 T CB -0.252 68.210 68.868 -0.677 0.000 0.865 709 T HN 0.090 nan 8.240 nan 0.000 0.435 710 L N 1.267 122.180 121.223 -0.516 0.000 2.017 710 L HA 0.009 4.301 4.340 -0.079 0.000 0.208 710 L C 2.674 179.511 176.870 -0.055 0.000 1.073 710 L CA 1.904 56.586 54.840 -0.263 0.000 0.745 710 L CB -0.778 41.338 42.059 0.096 0.000 0.894 710 L HN 0.230 nan 8.230 nan 0.000 0.432 711 A N -0.421 122.387 122.820 -0.019 0.000 1.948 711 A HA -0.313 3.960 4.320 -0.079 0.000 0.220 711 A C 2.460 180.064 177.584 0.034 0.000 1.177 711 A CA 2.252 54.303 52.037 0.023 0.000 0.636 711 A CB -0.719 18.296 19.000 0.025 0.000 0.815 711 A HN 0.555 nan 8.150 nan 0.000 0.449 712 K N -1.425 118.966 120.400 -0.014 0.000 2.002 712 K HA -0.191 4.082 4.320 -0.079 0.000 0.209 712 K C 1.877 178.595 176.600 0.196 0.000 1.048 712 K CA 1.614 57.931 56.287 0.051 0.000 0.930 712 K CB -0.304 32.197 32.500 0.000 0.000 0.714 712 K HN 0.620 nan 8.250 nan 0.000 0.438 713 W N 1.089 122.410 121.300 0.034 0.000 2.338 713 W HA -0.120 4.493 4.660 -0.079 0.000 0.304 713 W C 1.712 178.248 176.519 0.028 0.000 1.212 713 W CA 0.758 58.120 57.345 0.028 0.000 1.264 713 W CB -0.689 28.788 29.460 0.028 0.000 1.142 713 W HN 0.091 nan 8.180 nan 0.000 0.512 714 L N 0.640 122.025 121.223 0.270 0.000 2.628 714 L HA 0.097 4.390 4.340 -0.079 0.000 0.229 714 L C 0.536 177.469 176.870 0.104 0.000 1.137 714 L CA 0.125 55.063 54.840 0.163 0.000 0.909 714 L CB -1.003 41.145 42.059 0.148 0.000 1.137 714 L HN -0.018 nan 8.230 nan 0.000 0.470 715 N N 1.508 120.270 118.700 0.102 0.000 2.714 715 N HA -0.216 4.476 4.740 -0.079 0.000 0.253 715 N C -0.740 174.797 175.510 0.044 0.000 1.024 715 N CA 0.465 53.555 53.050 0.067 0.000 0.726 715 N CB -0.996 37.526 38.487 0.057 0.000 0.908 715 N HN 0.374 nan 8.380 nan 0.000 0.542 716 I N 0.030 120.623 120.570 0.040 0.000 2.530 716 I HA 0.250 4.373 4.170 -0.079 0.000 0.297 716 I C 0.562 176.682 176.117 0.005 0.000 1.011 716 I CA -0.881 60.428 61.300 0.015 0.000 1.107 716 I CB 1.793 39.798 38.000 0.009 0.000 1.285 716 I HN 0.208 nan 8.210 nan 0.000 0.436 717 E N 6.461 126.655 120.200 -0.010 0.000 2.227 717 E HA 0.506 4.809 4.350 -0.079 0.000 0.282 717 E C -1.493 175.076 176.600 -0.053 0.000 1.015 717 E CA -0.511 55.880 56.400 -0.015 0.000 0.823 717 E CB 1.125 30.819 29.700 -0.011 0.000 1.081 717 E HN 0.467 nan 8.360 nan 0.000 0.396 718 L N 3.515 124.703 121.223 -0.058 0.000 2.334 718 L HA 0.512 4.805 4.340 -0.079 0.000 0.273 718 L C -0.221 176.554 176.870 -0.158 0.000 1.013 718 L CA -0.718 54.015 54.840 -0.177 0.000 0.816 718 L CB 1.837 43.754 42.059 -0.238 0.000 1.278 718 L HN 0.644 nan 8.230 nan 0.000 0.431 719 E N 1.688 121.712 120.200 -0.293 0.000 2.260 719 E HA 0.466 4.769 4.350 -0.079 0.000 0.266 719 E C -1.794 174.645 176.600 -0.268 0.000 0.887 719 E CA -0.540 55.774 56.400 -0.143 0.000 0.777 719 E CB 1.508 31.159 29.700 -0.081 0.000 1.205 719 E HN 0.280 nan 8.360 nan 0.000 0.414 720 F N 2.442 122.381 119.950 -0.018 0.000 2.458 720 F HA 0.374 4.854 4.527 -0.079 0.000 0.330 720 F C 0.213 176.002 175.800 -0.018 0.000 1.082 720 F CA -0.418 57.570 58.000 -0.020 0.000 0.995 720 F CB 1.754 40.742 39.000 -0.020 0.000 1.170 720 F HN 0.381 nan 8.300 nan 0.000 0.478 721 Q N 1.319 121.213 119.800 0.157 0.000 2.389 721 Q HA 0.735 5.027 4.340 -0.079 0.000 0.277 721 Q C -0.352 175.692 176.000 0.073 0.000 1.082 721 Q CA -1.270 54.584 55.803 0.084 0.000 0.810 721 Q CB 2.426 31.186 28.738 0.036 0.000 1.374 721 Q HN 1.054 nan 8.270 nan 0.000 0.422 722 G N 0.828 109.656 108.800 0.047 0.000 2.819 722 G HA2 -0.153 3.759 3.960 -0.079 0.000 0.682 722 G HA3 -0.153 3.759 3.960 -0.079 0.000 0.682 722 G C -0.752 174.167 174.900 0.031 0.000 1.481 722 G CA -0.094 45.024 45.100 0.031 0.000 0.904 722 G HN 0.700 nan 8.290 nan 0.000 0.563 723 S N -0.824 114.883 115.700 0.012 0.000 2.726 723 S HA 1.046 5.469 4.470 -0.079 0.000 0.308 723 S C 0.499 175.096 174.600 -0.006 0.000 1.115 723 S CA 0.916 59.115 58.200 -0.002 0.000 0.965 723 S CB 1.638 64.830 63.200 -0.014 0.000 1.145 723 S HN 2.689 nan 8.310 nan 0.000 0.532 724 G N 0.335 109.124 108.800 -0.018 0.000 2.316 724 G HA2 0.109 4.021 3.960 -0.079 0.000 0.468 724 G HA3 0.109 4.021 3.960 -0.079 0.000 0.468 724 G C 0.129 175.010 174.900 -0.030 0.000 1.523 724 G CA 0.122 45.210 45.100 -0.020 0.000 0.972 724 G HN 1.007 nan 8.290 nan 0.000 0.667 725 S N -1.575 114.106 115.700 -0.032 0.000 2.528 725 S HA 0.413 4.836 4.470 -0.079 0.000 0.219 725 S C 1.088 175.670 174.600 -0.029 0.000 0.985 725 S CA 1.435 59.613 58.200 -0.037 0.000 0.914 725 S CB 0.055 63.236 63.200 -0.033 0.000 0.776 725 S HN 2.028 nan 8.310 nan 0.000 0.526 726 T N -1.031 113.502 114.554 -0.035 0.000 2.903 726 T HA 0.660 4.962 4.350 -0.079 0.000 0.299 726 T C -0.580 174.075 174.700 -0.074 0.000 1.093 726 T CA -0.836 61.237 62.100 -0.044 0.000 1.002 726 T CB 1.533 70.346 68.868 -0.093 0.000 1.127 726 T HN -0.043 nan 8.240 nan 0.000 0.488 727 V N 3.182 123.059 119.914 -0.061 0.000 2.521 727 V HA 0.177 4.250 4.120 -0.079 0.000 0.286 727 V C 0.917 176.806 176.094 -0.341 0.000 1.034 727 V CA 0.061 62.300 62.300 -0.102 0.000 1.045 727 V CB 0.774 32.558 31.823 -0.065 0.000 0.974 727 V HN 0.952 nan 8.190 nan 0.000 0.480 728 Q N 3.112 122.770 119.800 -0.237 0.000 2.245 728 Q HA 0.296 4.588 4.340 -0.079 0.000 0.236 728 Q C 0.355 176.406 176.000 0.085 0.000 0.842 728 Q CA 0.127 55.785 55.803 -0.242 0.000 0.945 728 Q CB 1.472 30.159 28.738 -0.085 0.000 1.122 728 Q HN 0.743 nan 8.270 nan 0.000 0.506 729 K N 1.042 121.449 120.400 0.013 0.000 2.562 729 K HA 0.218 4.491 4.320 -0.079 0.000 0.267 729 K C -1.807 174.764 176.600 -0.048 0.000 0.938 729 K CA -0.300 56.000 56.287 0.022 0.000 0.840 729 K CB 1.820 34.331 32.500 0.019 0.000 1.390 729 K HN -0.061 nan 8.250 nan 0.000 0.428 730 Q N 2.266 122.026 119.800 -0.066 0.000 2.305 730 Q HA 0.222 4.515 4.340 -0.079 0.000 0.271 730 Q C -0.508 175.435 176.000 -0.094 0.000 1.046 730 Q CA -0.760 54.977 55.803 -0.111 0.000 0.798 730 Q CB 1.884 30.529 28.738 -0.154 0.000 1.286 730 Q HN 0.698 nan 8.270 nan 0.000 0.435 731 D N 1.608 121.951 120.400 -0.096 0.000 2.347 731 D HA -0.022 4.571 4.640 -0.079 0.000 0.215 731 D C -0.010 176.245 176.300 -0.076 0.000 0.976 731 D CA 0.226 54.180 54.000 -0.077 0.000 0.884 731 D CB 0.370 41.127 40.800 -0.070 0.000 0.915 731 D HN 0.242 nan 8.370 nan 0.000 0.526 732 V N 1.343 121.202 119.914 -0.092 0.000 2.384 732 V HA 0.241 4.314 4.120 -0.079 0.000 0.287 732 V C 0.473 176.507 176.094 -0.101 0.000 1.020 732 V CA -1.032 61.216 62.300 -0.087 0.000 0.850 732 V CB 1.395 33.167 31.823 -0.086 0.000 0.987 732 V HN 0.020 nan 8.190 nan 0.000 0.436 733 R N 3.151 123.595 120.500 -0.094 0.000 2.640 733 R HA 0.391 4.683 4.340 -0.079 0.000 0.270 733 R C 0.545 176.770 176.300 -0.124 0.000 1.024 733 R CA 0.198 56.231 56.100 -0.112 0.000 1.085 733 R CB 0.538 30.773 30.300 -0.108 0.000 0.963 733 R HN 0.894 nan 8.270 nan 0.000 0.426 734 A N 3.330 126.062 122.820 -0.147 0.000 2.466 734 A HA 0.063 4.336 4.320 -0.079 0.000 0.238 734 A C 0.355 177.860 177.584 -0.131 0.000 1.074 734 A CA 0.192 52.139 52.037 -0.150 0.000 0.774 734 A CB 0.146 19.043 19.000 -0.171 0.000 1.015 734 A HN 1.056 nan 8.150 nan 0.000 0.498 735 N N -1.457 117.181 118.700 -0.103 0.000 2.972 735 N HA -0.136 4.556 4.740 -0.079 0.000 0.225 735 N C 0.153 175.622 175.510 -0.068 0.000 0.883 735 N CA 1.693 54.694 53.050 -0.082 0.000 1.010 735 N CB -2.134 36.293 38.487 -0.101 0.000 1.052 735 N HN 0.737 nan 8.380 nan 0.000 0.598 736 T N 1.349 115.860 114.554 -0.072 0.000 2.940 736 T HA 0.410 4.712 4.350 -0.079 0.000 0.309 736 T C 0.880 175.556 174.700 -0.040 0.000 1.056 736 T CA 0.430 62.496 62.100 -0.057 0.000 1.137 736 T CB 0.902 69.734 68.868 -0.060 0.000 0.976 736 T HN 0.403 nan 8.240 nan 0.000 0.547 737 A N 3.629 126.431 122.820 -0.029 0.000 2.491 737 A HA 0.254 4.526 4.320 -0.079 0.000 0.261 737 A C 1.581 179.156 177.584 -0.015 0.000 1.101 737 A CA -0.394 51.633 52.037 -0.018 0.000 0.772 737 A CB -0.466 18.526 19.000 -0.013 0.000 1.043 737 A HN 0.978 nan 8.150 nan 0.000 0.501 738 I N 1.755 122.321 120.570 -0.007 0.000 2.315 738 I HA -0.308 3.815 4.170 -0.079 0.000 0.251 738 I C 2.250 178.366 176.117 -0.001 0.000 1.125 738 I CA 1.658 62.957 61.300 -0.001 0.000 1.392 738 I CB -0.153 37.856 38.000 0.015 0.000 1.065 738 I HN 0.757 nan 8.210 nan 0.000 0.424 739 K N 0.313 120.714 120.400 0.000 0.000 2.209 739 K HA -0.165 4.107 4.320 -0.079 0.000 0.204 739 K C 1.424 178.021 176.600 -0.004 0.000 1.048 739 K CA 1.119 57.406 56.287 0.000 0.000 0.940 739 K CB -0.134 32.367 32.500 0.001 0.000 0.729 739 K HN 0.337 nan 8.250 nan 0.000 0.451 740 D N 0.783 121.178 120.400 -0.009 0.000 2.224 740 D HA -0.039 4.553 4.640 -0.079 0.000 0.205 740 D C 0.825 177.115 176.300 -0.015 0.000 0.965 740 D CA 0.817 54.809 54.000 -0.012 0.000 0.852 740 D CB 0.009 40.799 40.800 -0.017 0.000 0.947 740 D HN 0.223 nan 8.370 nan 0.000 0.494 741 I N -3.588 116.972 120.570 -0.017 0.000 3.170 741 I HA 0.410 4.533 4.170 -0.079 0.000 0.312 741 I C 0.604 176.711 176.117 -0.017 0.000 1.085 741 I CA -0.848 60.439 61.300 -0.021 0.000 0.999 741 I CB 1.971 39.952 38.000 -0.032 0.000 1.233 741 I HN -0.440 nan 8.210 nan 0.000 0.467 742 K N 0.042 120.430 120.400 -0.020 0.000 2.550 742 K HA 0.331 4.603 4.320 -0.079 0.000 0.205 742 K C -0.000 176.586 176.600 -0.023 0.000 1.429 742 K CA -0.108 56.169 56.287 -0.015 0.000 0.997 742 K CB 0.912 33.406 32.500 -0.011 0.000 1.328 742 K HN 0.572 nan 8.250 nan 0.000 0.546 743 K N 1.678 122.057 120.400 -0.034 0.000 2.443 743 K HA 0.450 4.723 4.320 -0.079 0.000 0.252 743 K C -1.514 175.043 176.600 -0.070 0.000 0.933 743 K CA -0.452 55.806 56.287 -0.049 0.000 0.792 743 K CB 1.435 33.910 32.500 -0.042 0.000 1.185 743 K HN -0.068 nan 8.250 nan 0.000 0.425 744 I N 2.798 123.308 120.570 -0.100 0.000 2.465 744 I HA 0.234 4.356 4.170 -0.079 0.000 0.291 744 I C -0.454 175.553 176.117 -0.182 0.000 1.014 744 I CA -0.855 60.367 61.300 -0.131 0.000 1.093 744 I CB 2.325 40.238 38.000 -0.146 0.000 1.267 744 I HN 0.529 nan 8.210 nan 0.000 0.431 745 T N 7.153 121.609 114.554 -0.164 0.000 2.749 745 T HA 0.551 4.854 4.350 -0.079 0.000 0.287 745 T C -0.154 174.418 174.700 -0.213 0.000 0.970 745 T CA -0.392 61.597 62.100 -0.184 0.000 0.980 745 T CB 0.565 69.367 68.868 -0.111 0.000 0.924 745 T HN 0.259 nan 8.240 nan 0.000 0.456 746 L N 2.971 124.001 121.223 -0.323 0.000 2.325 746 L HA 0.520 4.813 4.340 -0.079 0.000 0.278 746 L C 0.381 177.183 176.870 -0.113 0.000 1.023 746 L CA -0.860 53.820 54.840 -0.266 0.000 0.811 746 L CB 1.629 43.432 42.059 -0.427 0.000 1.249 746 L HN 0.518 nan 8.230 nan 0.000 0.431 747 T N 3.930 118.455 114.554 -0.048 0.000 2.758 747 T HA 0.507 4.810 4.350 -0.079 0.000 0.285 747 T C -0.012 174.703 174.700 0.025 0.000 0.981 747 T CA -0.439 61.664 62.100 0.005 0.000 0.965 747 T CB 0.761 69.626 68.868 -0.005 0.000 0.927 747 T HN 0.265 nan 8.240 nan 0.000 0.448 748 L N 2.773 124.036 121.223 0.068 0.000 2.350 748 L HA 0.747 5.039 4.340 -0.079 0.000 0.275 748 L C 0.930 177.803 176.870 0.005 0.000 1.099 748 L CA -0.417 54.452 54.840 0.048 0.000 0.808 748 L CB 0.921 43.026 42.059 0.076 0.000 1.149 748 L HN 0.741 nan 8.230 nan 0.000 0.442 749 G N 0.216 109.002 108.800 -0.024 0.000 2.672 749 G HA2 0.564 4.477 3.960 -0.079 0.000 0.292 749 G HA3 0.564 4.477 3.960 -0.079 0.000 0.292 749 G C -1.586 173.298 174.900 -0.028 0.000 1.375 749 G CA -0.354 44.732 45.100 -0.023 0.000 0.890 749 G HN 0.626 nan 8.290 nan 0.000 0.476 750 D N 0.000 120.392 120.400 -0.014 0.000 6.856 750 D HA 0.000 4.593 4.640 -0.079 0.000 0.175 750 D CA 0.000 53.993 54.000 -0.011 0.000 0.868 750 D CB 0.000 40.792 40.800 -0.013 0.000 0.688 750 D HN 0.000 nan 8.370 nan 0.000 0.683