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 2qt3_1_A DATA FIRST_RESID 3 DATA SEQUENCE KDFDLIIRNA YLSEKDSVYD IGIVGDRIIK IEAKIEGTVK DEIDAKGNLV DATA SEQUENCE SPGFVDAHTH MDKSFTSTGE RLPKFWSRPY TRDAAIEDGL KYYKNATHEE DATA SEQUENCE IKRHVIEHAH MQVLHGTLYT RTHVDVDSVA KTKAVEAVLE AKEELKDLID DATA SEQUENCE IQVVAFAQSG FFVDLESESL IRKSLDMGCD LVGGVDPATR ENNVEGSLDL DATA SEQUENCE CFKLAKEYDV DIDYHIHDIG TVGVYSINRL AQKTIENGYK GRVTTSHAWC DATA SEQUENCE FADAPSEWLD EAIPLYKDSG MKFVTCFSST PPTMPVIKLL EAGINLGCAS DATA SEQUENCE DNIRDFWVPF GNGDMVQGAL IETQRLELKT NRDLGLIWKM ITSEGARVLG DATA SEQUENCE IEKNYGIEVG KKADLVVLNS LSPQWAIIDQ AKRLCVIKNG RIIVKDEVIV DATA SEQUENCE A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.528 176.600 -0.120 0.000 0.988 3 K CA 0.000 56.257 56.287 -0.049 0.000 0.838 3 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 4 D N 0.729 121.001 120.400 -0.214 0.000 2.183 4 D HA 0.010 4.650 4.640 -0.000 0.000 0.203 4 D C 0.193 176.056 176.300 -0.728 0.000 0.969 4 D CA 1.537 55.220 54.000 -0.527 0.000 0.842 4 D CB 0.202 40.556 40.800 -0.743 0.000 0.957 4 D HN 0.201 nan 8.370 nan 0.000 0.484 5 F N 0.077 120.028 119.950 0.001 0.000 2.576 5 F HA 0.251 4.778 4.527 0.000 0.000 0.313 5 F C 1.108 176.908 175.800 0.000 0.000 1.078 5 F CA -1.088 56.913 58.000 0.000 0.000 0.921 5 F CB 1.601 40.602 39.000 0.001 0.000 1.232 5 F HN -0.386 nan 8.300 nan 0.000 0.459 6 D N 0.683 121.208 120.400 0.208 0.000 2.240 6 D HA 0.103 4.743 4.640 -0.000 0.000 0.206 6 D C -0.194 176.164 176.300 0.096 0.000 0.963 6 D CA 1.226 55.291 54.000 0.110 0.000 0.863 6 D CB 0.707 41.552 40.800 0.075 0.000 0.973 6 D HN 0.237 nan 8.370 nan 0.000 0.501 7 L N 0.225 121.510 121.223 0.103 0.000 2.505 7 L HA 0.445 4.785 4.340 -0.000 0.000 0.259 7 L C -1.923 174.928 176.870 -0.031 0.000 0.952 7 L CA -0.506 54.356 54.840 0.036 0.000 0.840 7 L CB 2.513 44.579 42.059 0.012 0.000 1.358 7 L HN -0.245 nan 8.230 nan 0.000 0.409 8 I N 5.038 125.576 120.570 -0.053 0.000 2.569 8 I HA 0.470 4.640 4.170 -0.000 0.000 0.290 8 I C -1.018 175.053 176.117 -0.075 0.000 1.088 8 I CA -0.495 60.729 61.300 -0.126 0.000 1.047 8 I CB 2.248 40.160 38.000 -0.146 0.000 1.237 8 I HN 0.470 nan 8.210 nan 0.000 0.421 9 I N 5.984 126.505 120.570 -0.082 0.000 2.354 9 I HA 0.393 4.563 4.170 -0.000 0.000 0.286 9 I C -0.122 175.973 176.117 -0.036 0.000 1.007 9 I CA -0.786 60.488 61.300 -0.044 0.000 1.167 9 I CB 0.873 38.851 38.000 -0.035 0.000 1.320 9 I HN 0.372 nan 8.210 nan 0.000 0.458 10 R N 5.286 125.774 120.500 -0.020 0.000 2.459 10 R HA 0.277 4.617 4.340 -0.000 0.000 0.281 10 R C 0.086 176.390 176.300 0.007 0.000 1.050 10 R CA -0.614 55.480 56.100 -0.010 0.000 1.055 10 R CB 0.388 30.683 30.300 -0.008 0.000 1.045 10 R HN 0.623 nan 8.270 nan 0.000 0.495 11 N N -0.319 118.389 118.700 0.013 0.000 2.667 11 N HA -0.208 4.532 4.740 -0.000 0.000 0.263 11 N C -1.035 174.504 175.510 0.048 0.000 1.038 11 N CA 1.063 54.126 53.050 0.022 0.000 0.749 11 N CB -0.868 37.625 38.487 0.010 0.000 0.892 11 N HN 0.675 nan 8.380 nan 0.000 0.546 12 A N 1.355 124.216 122.820 0.068 0.000 2.258 12 A HA 0.397 4.717 4.320 -0.000 0.000 0.316 12 A C -0.332 177.331 177.584 0.131 0.000 1.279 12 A CA -0.678 51.412 52.037 0.088 0.000 0.876 12 A CB 0.545 19.579 19.000 0.055 0.000 1.170 12 A HN 0.369 nan 8.150 nan 0.000 0.520 13 Y N 4.018 124.344 120.300 0.043 0.000 2.436 13 Y HA 0.445 4.995 4.550 -0.000 0.000 0.336 13 Y C -0.621 175.327 175.900 0.080 0.000 1.049 13 Y CA -0.469 57.660 58.100 0.049 0.000 1.294 13 Y CB 0.297 38.768 38.460 0.019 0.000 1.179 13 Y HN 0.523 nan 8.280 nan 0.000 0.520 14 L N 7.192 128.072 121.223 -0.572 0.000 2.280 14 L HA 0.225 4.565 4.340 -0.000 0.000 0.287 14 L C 1.269 177.696 176.870 -0.738 0.000 1.023 14 L CA -0.286 54.284 54.840 -0.450 0.000 0.819 14 L CB 1.534 43.511 42.059 -0.136 0.000 1.212 14 L HN 0.856 nan 8.230 nan 0.000 0.420 15 S N 0.996 116.361 115.700 -0.559 0.000 2.382 15 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 15 S C 1.345 175.875 174.600 -0.116 0.000 1.027 15 S CA 0.750 58.761 58.200 -0.316 0.000 0.991 15 S CB -0.026 63.113 63.200 -0.101 0.000 0.823 15 S HN 0.629 nan 8.310 nan 0.000 0.469 16 E N 1.649 121.805 120.200 -0.073 0.000 2.204 16 E HA 0.032 4.382 4.350 -0.000 0.000 0.194 16 E C 1.607 178.197 176.600 -0.017 0.000 0.989 16 E CA 0.917 57.308 56.400 -0.016 0.000 0.824 16 E CB -0.128 29.570 29.700 -0.003 0.000 0.756 16 E HN 0.702 nan 8.360 nan 0.000 0.477 17 K N 0.230 120.608 120.400 -0.037 0.000 2.355 17 K HA 0.006 4.326 4.320 -0.000 0.000 0.198 17 K C -0.115 176.543 176.600 0.098 0.000 1.039 17 K CA 0.244 56.554 56.287 0.039 0.000 1.075 17 K CB 0.535 33.062 32.500 0.045 0.000 0.870 17 K HN -0.112 nan 8.250 nan 0.000 0.540 18 D N 1.498 121.909 120.400 0.017 0.000 2.697 18 D HA -0.179 4.461 4.640 -0.000 0.000 0.235 18 D C -1.185 175.272 176.300 0.262 0.000 1.167 18 D CA 0.842 54.934 54.000 0.154 0.000 0.656 18 D CB -0.912 39.989 40.800 0.168 0.000 1.025 18 D HN 0.128 nan 8.370 nan 0.000 0.419 19 S N -1.488 114.328 115.700 0.193 0.000 2.595 19 S HA 0.566 5.036 4.470 -0.000 0.000 0.270 19 S C -1.035 173.545 174.600 -0.033 0.000 1.145 19 S CA -0.395 57.860 58.200 0.092 0.000 0.825 19 S CB 1.382 64.515 63.200 -0.111 0.000 1.107 19 S HN 0.228 nan 8.310 nan 0.000 0.461 20 V N 3.298 123.104 119.914 -0.180 0.000 2.546 20 V HA 0.595 4.715 4.120 -0.000 0.000 0.284 20 V C -1.021 174.798 176.094 -0.458 0.000 1.050 20 V CA 0.134 62.354 62.300 -0.133 0.000 0.981 20 V CB 0.335 32.133 31.823 -0.043 0.000 0.990 20 V HN 0.814 nan 8.190 nan 0.000 0.474 21 Y N 0.662 120.966 120.300 0.007 0.000 2.689 21 Y HA 0.521 5.070 4.550 -0.000 0.000 0.333 21 Y C -0.524 175.356 175.900 -0.033 0.000 1.190 21 Y CA -1.257 56.832 58.100 -0.018 0.000 1.063 21 Y CB 1.509 39.947 38.460 -0.037 0.000 1.294 21 Y HN 0.489 nan 8.280 nan 0.000 0.466 22 D N 1.090 121.573 120.400 0.138 0.000 2.198 22 D HA 0.560 5.200 4.640 -0.000 0.000 0.247 22 D C -0.894 175.385 176.300 -0.036 0.000 1.010 22 D CA -0.140 53.871 54.000 0.017 0.000 0.880 22 D CB 1.739 42.525 40.800 -0.023 0.000 1.209 22 D HN 0.337 nan 8.370 nan 0.000 0.451 23 I N 0.856 121.367 120.570 -0.098 0.000 2.389 23 I HA 0.417 4.587 4.170 -0.000 0.000 0.288 23 I C 0.621 176.575 176.117 -0.272 0.000 0.999 23 I CA -0.805 60.408 61.300 -0.146 0.000 1.129 23 I CB 2.049 39.989 38.000 -0.100 0.000 1.288 23 I HN 0.233 nan 8.210 nan 0.000 0.444 24 G N 7.377 115.951 108.800 -0.377 0.000 2.335 24 G HA2 0.745 4.705 3.960 -0.000 0.000 0.314 24 G HA3 0.745 4.705 3.960 -0.000 0.000 0.314 24 G C -0.735 174.012 174.900 -0.256 0.000 1.129 24 G CA -0.322 44.346 45.100 -0.719 0.000 0.912 24 G HN 0.484 nan 8.290 nan 0.000 0.443 25 I N 1.771 122.273 120.570 -0.113 0.000 2.545 25 I HA 0.441 4.611 4.170 -0.000 0.000 0.292 25 I C -0.664 175.559 176.117 0.176 0.000 1.040 25 I CA -1.074 60.257 61.300 0.052 0.000 1.068 25 I CB 2.646 40.646 38.000 0.000 0.000 1.251 25 I HN 0.099 nan 8.210 nan 0.000 0.424 26 V N 4.764 124.766 119.914 0.146 0.000 2.638 26 V HA 0.731 4.851 4.120 -0.000 0.000 0.306 26 V C 0.682 176.814 176.094 0.064 0.000 1.052 26 V CA 0.073 62.444 62.300 0.117 0.000 0.885 26 V CB 1.073 32.959 31.823 0.105 0.000 0.999 26 V HN 1.107 nan 8.190 nan 0.000 0.424 27 G N 4.631 113.458 108.800 0.046 0.000 2.591 27 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.298 27 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.298 27 G C 0.444 175.359 174.900 0.026 0.000 1.195 27 G CA 0.708 45.826 45.100 0.030 0.000 0.989 27 G HN 1.040 nan 8.290 nan 0.000 0.551 28 D N 0.921 121.335 120.400 0.022 0.000 2.368 28 D HA 0.196 4.836 4.640 -0.000 0.000 0.218 28 D C 0.871 177.182 176.300 0.019 0.000 1.112 28 D CA 0.166 54.177 54.000 0.018 0.000 0.834 28 D CB 0.190 41.002 40.800 0.019 0.000 0.953 28 D HN 0.448 nan 8.370 nan 0.000 0.505 29 R N 0.339 120.852 120.500 0.023 0.000 2.803 29 R HA 0.536 4.876 4.340 -0.000 0.000 0.276 29 R C -0.199 176.113 176.300 0.019 0.000 0.978 29 R CA -0.877 55.234 56.100 0.019 0.000 0.939 29 R CB 2.055 32.369 30.300 0.023 0.000 1.179 29 R HN 0.024 nan 8.270 nan 0.000 0.472 30 I N 3.352 123.923 120.570 0.002 0.000 2.365 30 I HA 0.196 4.366 4.170 -0.000 0.000 0.291 30 I C 1.597 177.722 176.117 0.013 0.000 1.004 30 I CA 0.046 61.340 61.300 -0.011 0.000 1.311 30 I CB 0.865 38.839 38.000 -0.045 0.000 1.401 30 I HN 0.656 nan 8.210 nan 0.000 0.491 31 I N 2.290 122.888 120.570 0.047 0.000 4.327 31 I HA 0.429 4.599 4.170 -0.000 0.000 0.331 31 I C 0.176 176.347 176.117 0.089 0.000 1.348 31 I CA -0.153 61.197 61.300 0.083 0.000 1.152 31 I CB 0.390 38.478 38.000 0.146 0.000 1.151 31 I HN 0.422 nan 8.210 nan 0.000 0.410 32 K N 1.824 122.246 120.400 0.037 0.000 2.557 32 K HA 0.647 4.967 4.320 -0.000 0.000 0.261 32 K C -1.932 174.623 176.600 -0.076 0.000 0.932 32 K CA -0.599 55.696 56.287 0.014 0.000 0.829 32 K CB 2.764 35.334 32.500 0.116 0.000 1.358 32 K HN 0.203 nan 8.250 nan 0.000 0.430 33 I N 3.192 123.720 120.570 -0.070 0.000 2.531 33 I HA 0.306 4.476 4.170 -0.000 0.000 0.283 33 I C -1.136 174.952 176.117 -0.048 0.000 1.083 33 I CA -0.418 60.817 61.300 -0.109 0.000 1.071 33 I CB 1.990 39.859 38.000 -0.218 0.000 1.210 33 I HN 0.568 nan 8.210 nan 0.000 0.450 34 E N 2.920 123.157 120.200 0.062 0.000 2.390 34 E HA 0.484 4.834 4.350 -0.000 0.000 0.277 34 E C 0.295 177.033 176.600 0.231 0.000 0.939 34 E CA -0.634 55.868 56.400 0.170 0.000 0.769 34 E CB 2.457 32.212 29.700 0.092 0.000 1.251 34 E HN 0.609 nan 8.360 nan 0.000 0.450 35 A N 2.210 125.166 122.820 0.227 0.000 2.042 35 A HA -0.168 4.152 4.320 -0.000 0.000 0.222 35 A C 0.984 178.585 177.584 0.029 0.000 1.167 35 A CA 1.835 53.898 52.037 0.044 0.000 0.649 35 A CB -0.125 18.852 19.000 -0.038 0.000 0.809 35 A HN 0.224 nan 8.150 nan 0.000 0.457 36 K N -0.197 120.231 120.400 0.046 0.000 2.690 36 K HA 0.400 4.720 4.320 -0.000 0.000 0.264 36 K C -0.916 175.708 176.600 0.040 0.000 1.040 36 K CA -0.390 55.915 56.287 0.029 0.000 0.946 36 K CB 0.214 32.726 32.500 0.020 0.000 1.268 36 K HN 0.435 nan 8.250 nan 0.000 0.473 37 I N 0.907 121.494 120.570 0.028 0.000 2.342 37 I HA 0.557 4.727 4.170 -0.000 0.000 0.291 37 I C -0.157 176.014 176.117 0.090 0.000 1.010 37 I CA -0.498 60.832 61.300 0.050 0.000 1.308 37 I CB 1.206 39.192 38.000 -0.024 0.000 1.400 37 I HN 0.328 nan 8.210 nan 0.000 0.488 38 E N 4.507 124.780 120.200 0.122 0.000 2.319 38 E HA 0.738 5.088 4.350 -0.000 0.000 0.268 38 E C 0.230 176.946 176.600 0.194 0.000 1.050 38 E CA -0.177 56.295 56.400 0.119 0.000 0.878 38 E CB 1.646 31.394 29.700 0.081 0.000 1.066 38 E HN 1.061 nan 8.360 nan 0.000 0.406 39 G N 0.466 109.357 108.800 0.150 0.000 2.375 39 G HA2 0.018 3.978 3.960 -0.000 0.000 0.663 39 G HA3 0.018 3.978 3.960 -0.000 0.000 0.663 39 G C -0.425 174.566 174.900 0.153 0.000 1.391 39 G CA -0.457 44.728 45.100 0.143 0.000 0.949 39 G HN 0.574 nan 8.290 nan 0.000 0.646 40 T N -2.148 112.452 114.554 0.078 0.000 2.909 40 T HA 0.779 5.129 4.350 -0.000 0.000 0.289 40 T C 0.116 174.895 174.700 0.132 0.000 1.005 40 T CA -0.109 62.038 62.100 0.078 0.000 1.084 40 T CB 2.008 70.891 68.868 0.025 0.000 0.975 40 T HN 2.078 nan 8.240 nan 0.000 0.509 41 V N 1.766 121.756 119.914 0.127 0.000 3.147 41 V HA 0.458 4.578 4.120 -0.000 0.000 0.306 41 V C 0.193 176.338 176.094 0.084 0.000 1.209 41 V CA -0.905 61.485 62.300 0.150 0.000 1.023 41 V CB 2.377 34.310 31.823 0.185 0.000 1.059 41 V HN 0.988 nan 8.190 nan 0.000 0.435 42 K N 1.275 121.721 120.400 0.075 0.000 2.021 42 K HA 0.202 4.522 4.320 -0.000 0.000 0.205 42 K C -0.154 176.468 176.600 0.037 0.000 1.047 42 K CA 0.946 57.261 56.287 0.047 0.000 0.943 42 K CB 0.086 32.610 32.500 0.041 0.000 0.725 42 K HN 0.684 nan 8.250 nan 0.000 0.439 43 D N 0.543 120.965 120.400 0.037 0.000 2.457 43 D HA 0.277 4.917 4.640 -0.000 0.000 0.240 43 D C -0.915 175.396 176.300 0.018 0.000 1.041 43 D CA -0.277 53.736 54.000 0.023 0.000 0.861 43 D CB 2.202 43.012 40.800 0.016 0.000 1.394 43 D HN 0.007 nan 8.370 nan 0.000 0.473 44 E N 0.757 120.963 120.200 0.011 0.000 2.288 44 E HA 0.514 4.864 4.350 -0.000 0.000 0.268 44 E C -0.778 175.822 176.600 -0.000 0.000 0.885 44 E CA -0.820 55.582 56.400 0.003 0.000 0.767 44 E CB 2.374 32.078 29.700 0.007 0.000 1.220 44 E HN 0.219 nan 8.360 nan 0.000 0.427 45 I N 1.940 122.507 120.570 -0.005 0.000 2.533 45 I HA 0.217 4.386 4.170 -0.000 0.000 0.290 45 I C -0.831 175.285 176.117 -0.002 0.000 1.056 45 I CA -0.722 60.577 61.300 -0.002 0.000 1.057 45 I CB 1.817 39.814 38.000 -0.003 0.000 1.240 45 I HN 0.477 nan 8.210 nan 0.000 0.423 46 D N 4.773 125.174 120.400 0.002 0.000 2.412 46 D HA 0.473 5.113 4.640 -0.000 0.000 0.224 46 D C 0.765 177.071 176.300 0.009 0.000 1.093 46 D CA -0.230 53.772 54.000 0.004 0.000 0.850 46 D CB 1.872 42.673 40.800 0.002 0.000 1.046 46 D HN 0.645 nan 8.370 nan 0.000 0.507 47 A N 3.996 126.825 122.820 0.015 0.000 2.168 47 A HA -0.049 4.271 4.320 -0.000 0.000 0.215 47 A C 1.110 178.709 177.584 0.024 0.000 1.152 47 A CA 0.393 52.446 52.037 0.027 0.000 0.716 47 A CB -0.354 18.670 19.000 0.040 0.000 0.794 47 A HN 0.772 nan 8.150 nan 0.000 0.465 48 K N -2.380 118.028 120.400 0.013 0.000 3.016 48 K HA -0.247 4.073 4.320 -0.000 0.000 0.262 48 K C 0.862 177.464 176.600 0.003 0.000 1.043 48 K CA 0.416 56.705 56.287 0.003 0.000 0.761 48 K CB -2.245 30.253 32.500 -0.003 0.000 1.230 48 K HN 1.530 nan 8.250 nan 0.000 0.485 49 G N -0.898 107.914 108.800 0.020 0.000 2.179 49 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 49 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 49 G C 0.098 175.028 174.900 0.051 0.000 0.977 49 G CA 0.298 45.414 45.100 0.027 0.000 0.641 49 G HN 0.368 nan 8.290 nan 0.000 0.533 50 N N -0.156 118.577 118.700 0.056 0.000 2.408 50 N HA 0.462 5.202 4.740 -0.000 0.000 0.260 50 N C 0.422 176.025 175.510 0.155 0.000 1.242 50 N CA -0.518 52.578 53.050 0.077 0.000 0.959 50 N CB 0.941 39.461 38.487 0.055 0.000 1.201 50 N HN 0.353 nan 8.380 nan 0.000 0.511 51 L N 0.969 122.303 121.223 0.183 0.000 2.490 51 L HA 0.153 4.493 4.340 -0.000 0.000 0.274 51 L C -0.795 176.169 176.870 0.156 0.000 1.201 51 L CA 0.272 55.246 54.840 0.224 0.000 0.869 51 L CB 0.443 42.615 42.059 0.188 0.000 1.123 51 L HN 0.165 nan 8.230 nan 0.000 0.484 52 V N 5.088 125.071 119.914 0.116 0.000 2.483 52 V HA 0.684 4.804 4.120 -0.000 0.000 0.297 52 V C -0.258 175.876 176.094 0.066 0.000 1.027 52 V CA -0.021 62.325 62.300 0.077 0.000 0.855 52 V CB 1.592 33.438 31.823 0.038 0.000 0.995 52 V HN 1.022 nan 8.190 nan 0.000 0.424 53 S N 5.848 121.591 115.700 0.072 0.000 2.667 53 S HA 0.800 5.270 4.470 -0.000 0.000 0.292 53 S C -3.091 171.446 174.600 -0.104 0.000 1.126 53 S CA -1.716 56.523 58.200 0.065 0.000 0.881 53 S CB 2.768 66.159 63.200 0.318 0.000 1.132 53 S HN 0.481 nan 8.310 nan 0.000 0.492 54 P HA 0.257 nan 4.420 nan 0.000 0.272 54 P C 0.408 177.545 177.300 -0.271 0.000 1.240 54 P CA 0.045 62.964 63.100 -0.301 0.000 0.791 54 P CB -0.132 31.163 31.700 -0.674 0.000 0.978 55 G N 0.662 109.402 108.800 -0.100 0.000 2.414 55 G HA2 0.184 4.144 3.960 -0.000 0.000 0.236 55 G HA3 0.184 4.144 3.960 -0.000 0.000 0.236 55 G C -0.344 174.628 174.900 0.121 0.000 1.293 55 G CA -0.279 44.796 45.100 -0.042 0.000 0.869 55 G HN 0.207 nan 8.290 nan 0.000 0.556 56 F N 0.415 120.498 119.950 0.220 0.000 2.450 56 F HA 0.332 4.859 4.527 0.000 0.000 0.339 56 F C 0.724 176.663 175.800 0.230 0.000 1.146 56 F CA -0.473 57.612 58.000 0.143 0.000 1.267 56 F CB 1.194 40.208 39.000 0.024 0.000 1.178 56 F HN 0.143 nan 8.300 nan 0.000 0.585 57 V N 2.129 122.241 119.914 0.329 0.000 2.350 57 V HA 0.183 4.303 4.120 -0.000 0.000 0.285 57 V C -0.613 175.575 176.094 0.155 0.000 1.014 57 V CA -0.799 61.631 62.300 0.217 0.000 0.831 57 V CB 1.362 33.196 31.823 0.018 0.000 1.000 57 V HN 0.583 nan 8.190 nan 0.000 0.433 58 D N 4.351 124.856 120.400 0.174 0.000 2.479 58 D HA 0.387 5.027 4.640 -0.000 0.000 0.218 58 D C 0.880 177.239 176.300 0.098 0.000 1.131 58 D CA -0.209 53.880 54.000 0.149 0.000 0.916 58 D CB 1.746 42.659 40.800 0.188 0.000 1.022 58 D HN 0.622 nan 8.370 nan 0.000 0.515 59 A N 3.600 126.457 122.820 0.063 0.000 2.252 59 A HA -0.039 4.281 4.320 -0.000 0.000 0.207 59 A C 0.553 178.167 177.584 0.049 0.000 1.194 59 A CA 0.452 52.505 52.037 0.026 0.000 0.809 59 A CB -0.371 18.627 19.000 -0.004 0.000 0.814 59 A HN 0.710 nan 8.150 nan 0.000 0.482 60 H N -0.790 118.235 119.070 -0.075 0.000 3.289 60 H HA 0.390 4.946 4.556 -0.000 0.000 0.330 60 H C -0.576 174.678 175.328 -0.123 0.000 1.187 60 H CA 0.232 56.209 56.048 -0.120 0.000 1.601 60 H CB 0.632 30.240 29.762 -0.256 0.000 1.997 60 H HN 0.207 nan 8.280 nan 0.000 0.489 61 T N 1.063 115.560 114.554 -0.096 0.000 2.864 61 T HA 0.367 4.717 4.350 -0.000 0.000 0.289 61 T C -0.624 173.895 174.700 -0.302 0.000 1.082 61 T CA -0.966 61.104 62.100 -0.050 0.000 1.009 61 T CB 1.995 70.874 68.868 0.019 0.000 1.234 61 T HN 0.650 nan 8.240 nan 0.000 0.526 62 H N 1.021 120.120 119.070 0.048 0.000 2.379 62 H HA 0.316 4.872 4.556 0.000 0.000 0.229 62 H C 0.851 176.188 175.328 0.016 0.000 1.423 62 H CA -0.254 55.828 56.048 0.057 0.000 1.375 62 H CB 0.435 30.261 29.762 0.107 0.000 1.592 62 H HN 0.602 nan 8.280 nan 0.000 0.507 63 M N 0.271 119.816 119.600 -0.090 0.000 2.144 63 M HA -0.193 4.287 4.480 -0.000 0.000 0.260 63 M C 2.034 178.403 176.300 0.115 0.000 1.067 63 M CA 1.866 57.061 55.300 -0.175 0.000 1.095 63 M CB -0.130 32.276 32.600 -0.324 0.000 1.365 63 M HN 0.354 nan 8.290 nan 0.000 0.406 64 D N 1.463 121.969 120.400 0.177 0.000 2.182 64 D HA -0.227 4.413 4.640 -0.000 0.000 0.201 64 D C 1.327 177.843 176.300 0.360 0.000 0.986 64 D CA 1.695 55.869 54.000 0.291 0.000 0.847 64 D CB -0.476 40.534 40.800 0.350 0.000 0.942 64 D HN 0.593 nan 8.370 nan 0.000 0.467 65 K N 0.594 121.132 120.400 0.229 0.000 2.387 65 K HA 0.166 4.486 4.320 -0.000 0.000 0.203 65 K C 0.551 176.994 176.600 -0.262 0.000 1.030 65 K CA -0.446 55.794 56.287 -0.077 0.000 1.099 65 K CB 0.389 32.829 32.500 -0.100 0.000 0.863 65 K HN 0.073 nan 8.250 nan 0.000 0.529 66 S N 0.407 116.072 115.700 -0.057 0.000 2.584 66 S HA 0.135 4.605 4.470 -0.000 0.000 0.270 66 S C 0.298 174.758 174.600 -0.234 0.000 1.346 66 S CA -0.324 57.804 58.200 -0.120 0.000 1.018 66 S CB -0.454 62.855 63.200 0.180 0.000 0.899 66 S HN 0.374 nan 8.310 nan 0.000 0.542 67 F N -1.030 118.778 119.950 -0.237 0.000 2.914 67 F HA -0.256 4.271 4.527 0.000 0.000 0.304 67 F C 1.807 177.433 175.800 -0.291 0.000 0.712 67 F CA 1.050 58.906 58.000 -0.241 0.000 1.211 67 F CB -2.802 36.079 39.000 -0.199 0.000 1.515 67 F HN 0.852 nan 8.300 nan 0.000 0.350 68 T N -3.955 110.474 114.554 -0.209 0.000 3.072 68 T HA -0.052 4.298 4.350 -0.000 0.000 0.266 68 T C 1.796 176.658 174.700 0.270 0.000 1.127 68 T CA 0.946 63.044 62.100 -0.003 0.000 1.107 68 T CB -0.210 68.585 68.868 -0.122 0.000 0.910 68 T HN 0.519 nan 8.240 nan 0.000 0.513 69 S N 1.375 117.215 115.700 0.234 0.000 2.558 69 S HA 0.085 4.555 4.470 -0.000 0.000 0.217 69 S C 1.088 175.714 174.600 0.044 0.000 0.975 69 S CA -0.039 58.276 58.200 0.190 0.000 0.912 69 S CB -0.846 62.550 63.200 0.327 0.000 0.776 69 S HN 0.759 nan 8.310 nan 0.000 0.526 70 T N -2.342 112.262 114.554 0.083 0.000 2.849 70 T HA 0.652 5.002 4.350 -0.000 0.000 0.284 70 T C 1.215 175.950 174.700 0.059 0.000 1.004 70 T CA 0.145 62.298 62.100 0.087 0.000 1.021 70 T CB 1.110 70.081 68.868 0.171 0.000 1.013 70 T HN 0.946 nan 8.240 nan 0.000 0.527 71 G N 0.650 109.478 108.800 0.047 0.000 2.545 71 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.195 71 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.195 71 G C -0.073 174.832 174.900 0.007 0.000 1.009 71 G CA -0.201 44.918 45.100 0.032 0.000 0.703 71 G HN 0.820 nan 8.290 nan 0.000 0.479 72 E N -0.373 119.821 120.200 -0.010 0.000 2.303 72 E HA 0.593 4.943 4.350 -0.000 0.000 0.254 72 E C 1.088 177.683 176.600 -0.008 0.000 0.979 72 E CA -0.932 55.458 56.400 -0.018 0.000 0.843 72 E CB 1.420 31.094 29.700 -0.044 0.000 1.245 72 E HN 0.080 nan 8.360 nan 0.000 0.413 73 R N 0.142 120.637 120.500 -0.009 0.000 2.091 73 R HA -0.024 4.316 4.340 -0.000 0.000 0.238 73 R C 0.549 176.846 176.300 -0.004 0.000 1.136 73 R CA 1.453 57.551 56.100 -0.003 0.000 0.959 73 R CB -0.283 30.015 30.300 -0.004 0.000 0.856 73 R HN 0.392 nan 8.270 nan 0.000 0.437 74 L N 0.520 121.737 121.223 -0.010 0.000 2.319 74 L HA 0.510 4.850 4.340 -0.000 0.000 0.267 74 L C -2.162 174.705 176.870 -0.006 0.000 1.011 74 L CA -2.742 52.095 54.840 -0.006 0.000 0.818 74 L CB 1.811 43.870 42.059 0.000 0.000 1.316 74 L HN -0.054 nan 8.230 nan 0.000 0.432 75 P HA 0.090 nan 4.420 nan 0.000 0.267 75 P C -0.989 176.342 177.300 0.051 0.000 1.205 75 P CA -0.074 63.060 63.100 0.058 0.000 0.765 75 P CB 0.408 32.160 31.700 0.086 0.000 0.828 76 K N 2.450 122.783 120.400 -0.111 0.000 2.219 76 K HA 0.209 4.529 4.320 -0.000 0.000 0.258 76 K C 0.152 176.487 176.600 -0.441 0.000 1.008 76 K CA -0.143 55.873 56.287 -0.452 0.000 0.928 76 K CB -0.031 31.901 32.500 -0.947 0.000 0.983 76 K HN 0.371 nan 8.250 nan 0.000 0.484 77 F N -2.770 117.058 119.950 -0.203 0.000 2.705 77 F HA -0.226 4.301 4.527 -0.000 0.000 0.413 77 F C 0.247 175.603 175.800 -0.740 0.000 0.588 77 F CA 0.841 58.538 58.000 -0.503 0.000 1.187 77 F CB -1.881 36.709 39.000 -0.684 0.000 1.737 77 F HN 0.669 nan 8.300 nan 0.000 0.285 78 W N -0.206 121.145 121.300 0.086 0.000 2.991 78 W HA 0.519 5.179 4.660 -0.000 0.000 0.391 78 W C 1.305 177.831 176.519 0.012 0.000 1.054 78 W CA 0.542 57.913 57.345 0.042 0.000 1.856 78 W CB 0.280 29.730 29.460 -0.016 0.000 1.132 78 W HN -0.175 nan 8.180 nan 0.000 0.601 79 S N 1.483 117.252 115.700 0.115 0.000 2.763 79 S HA 0.162 4.632 4.470 -0.000 0.000 0.237 79 S C 0.266 174.898 174.600 0.054 0.000 0.966 79 S CA -0.215 58.029 58.200 0.073 0.000 1.017 79 S CB -0.646 62.568 63.200 0.023 0.000 0.780 79 S HN 0.296 nan 8.310 nan 0.000 0.476 80 R N 0.316 120.861 120.500 0.075 0.000 2.629 80 R HA 0.458 4.798 4.340 -0.000 0.000 0.266 80 R C -3.427 172.935 176.300 0.103 0.000 1.051 80 R CA -1.855 54.277 56.100 0.054 0.000 0.895 80 R CB -0.139 30.163 30.300 0.003 0.000 1.246 80 R HN -0.129 nan 8.270 nan 0.000 0.459 81 P HA -0.154 nan 4.420 nan 0.000 0.264 81 P C -0.977 176.427 177.300 0.174 0.000 1.179 81 P CA 0.065 63.247 63.100 0.138 0.000 0.763 81 P CB 0.320 32.069 31.700 0.081 0.000 0.806 82 Y N 2.508 122.888 120.300 0.134 0.000 2.526 82 Y HA 0.298 4.848 4.550 0.000 0.000 0.330 82 Y C 0.362 176.300 175.900 0.063 0.000 1.156 82 Y CA 0.496 58.682 58.100 0.144 0.000 1.419 82 Y CB 0.324 38.962 38.460 0.297 0.000 1.250 82 Y HN 0.449 nan 8.280 nan 0.000 0.540 83 T N 6.604 120.829 114.554 -0.548 0.000 3.032 83 T HA 0.250 4.600 4.350 -0.000 0.000 0.312 83 T C 0.723 175.066 174.700 -0.595 0.000 1.078 83 T CA -0.704 61.084 62.100 -0.520 0.000 1.028 83 T CB 1.015 69.741 68.868 -0.236 0.000 1.091 83 T HN 0.916 nan 8.240 nan 0.000 0.457 84 R N 2.542 122.763 120.500 -0.465 0.000 2.117 84 R HA -0.123 4.217 4.340 -0.000 0.000 0.243 84 R C 1.122 177.338 176.300 -0.141 0.000 1.143 84 R CA 2.456 58.438 56.100 -0.197 0.000 0.968 84 R CB -0.157 30.124 30.300 -0.032 0.000 0.863 84 R HN 0.714 nan 8.270 nan 0.000 0.444 85 D N 0.042 120.352 120.400 -0.150 0.000 2.097 85 D HA -0.138 4.502 4.640 -0.000 0.000 0.197 85 D C 1.736 177.927 176.300 -0.181 0.000 0.984 85 D CA 1.513 55.438 54.000 -0.124 0.000 0.826 85 D CB -0.192 40.549 40.800 -0.099 0.000 0.973 85 D HN 0.415 nan 8.370 nan 0.000 0.460 86 A N 1.134 123.818 122.820 -0.227 0.000 2.015 86 A HA 0.020 4.340 4.320 -0.000 0.000 0.219 86 A C 2.286 179.637 177.584 -0.389 0.000 1.163 86 A CA 1.803 53.685 52.037 -0.259 0.000 0.646 86 A CB -0.379 18.483 19.000 -0.231 0.000 0.806 86 A HN 0.241 nan 8.150 nan 0.000 0.448 87 A N -0.163 122.368 122.820 -0.483 0.000 1.930 87 A HA 0.059 4.379 4.320 -0.000 0.000 0.215 87 A C 2.055 179.213 177.584 -0.711 0.000 1.176 87 A CA 1.229 52.782 52.037 -0.806 0.000 0.632 87 A CB -0.457 17.835 19.000 -1.180 0.000 0.819 87 A HN 0.463 nan 8.150 nan 0.000 0.445 88 I N -0.469 119.902 120.570 -0.332 0.000 2.315 88 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 88 I C 2.476 178.490 176.117 -0.171 0.000 1.117 88 I CA 1.281 62.540 61.300 -0.068 0.000 1.404 88 I CB -0.366 37.657 38.000 0.039 0.000 1.071 88 I HN 0.434 nan 8.210 nan 0.000 0.419 89 E N 0.865 120.926 120.200 -0.232 0.000 2.031 89 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 89 E C 1.757 178.155 176.600 -0.337 0.000 0.994 89 E CA 1.359 57.627 56.400 -0.219 0.000 0.800 89 E CB -0.094 29.493 29.700 -0.188 0.000 0.752 89 E HN 0.426 nan 8.360 nan 0.000 0.447 90 D N 0.016 120.090 120.400 -0.542 0.000 2.158 90 D HA -0.153 4.487 4.640 -0.000 0.000 0.197 90 D C 1.935 177.548 176.300 -1.144 0.000 0.995 90 D CA 1.367 54.857 54.000 -0.851 0.000 0.846 90 D CB -0.402 39.631 40.800 -1.278 0.000 0.941 90 D HN 0.287 nan 8.370 nan 0.000 0.456 91 G N 0.682 108.855 108.800 -1.044 0.000 2.408 91 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 91 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 91 G C 1.871 176.775 174.900 0.007 0.000 1.150 91 G CA 0.130 44.925 45.100 -0.509 0.000 0.776 91 G HN 0.238 nan 8.290 nan 0.000 0.542 92 L N -0.311 120.883 121.223 -0.049 0.000 2.056 92 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 92 L C 2.952 179.824 176.870 0.005 0.000 1.078 92 L CA 1.111 55.968 54.840 0.029 0.000 0.749 92 L CB -0.299 41.746 42.059 -0.024 0.000 0.901 92 L HN 0.061 nan 8.230 nan 0.000 0.433 93 K N -0.339 120.015 120.400 -0.076 0.000 1.991 93 K HA -0.233 4.087 4.320 -0.000 0.000 0.212 93 K C 1.958 178.549 176.600 -0.015 0.000 1.049 93 K CA 1.607 57.865 56.287 -0.049 0.000 0.932 93 K CB -0.895 31.566 32.500 -0.066 0.000 0.717 93 K HN 0.136 nan 8.250 nan 0.000 0.441 94 Y N 0.207 120.405 120.300 -0.171 0.000 2.053 94 Y HA -0.326 4.224 4.550 -0.000 0.000 0.277 94 Y C 1.887 177.722 175.900 -0.108 0.000 1.159 94 Y CA 1.734 59.746 58.100 -0.147 0.000 1.125 94 Y CB -0.695 37.621 38.460 -0.240 0.000 0.969 94 Y HN 0.161 nan 8.280 nan 0.000 0.492 95 Y N 0.344 120.581 120.300 -0.104 0.000 2.421 95 Y HA -0.178 4.372 4.550 -0.000 0.000 0.292 95 Y C 2.605 178.416 175.900 -0.148 0.000 1.136 95 Y CA 1.545 59.544 58.100 -0.169 0.000 1.255 95 Y CB -0.228 38.238 38.460 0.011 0.000 0.991 95 Y HN 0.162 nan 8.280 nan 0.000 0.552 96 K N 0.584 120.996 120.400 0.020 0.000 2.021 96 K HA -0.132 4.188 4.320 -0.000 0.000 0.205 96 K C 1.125 177.701 176.600 -0.041 0.000 1.047 96 K CA 1.829 58.115 56.287 -0.002 0.000 0.943 96 K CB -0.046 32.453 32.500 -0.001 0.000 0.725 96 K HN 0.223 nan 8.250 nan 0.000 0.439 97 N N 0.413 119.070 118.700 -0.070 0.000 2.424 97 N HA 0.095 4.835 4.740 -0.000 0.000 0.178 97 N C -0.354 175.095 175.510 -0.102 0.000 1.060 97 N CA 0.398 53.410 53.050 -0.063 0.000 0.901 97 N CB 0.421 38.891 38.487 -0.028 0.000 0.979 97 N HN 0.217 nan 8.380 nan 0.000 0.451 98 A N 0.956 123.635 122.820 -0.236 0.000 2.488 98 A HA 0.312 4.632 4.320 -0.000 0.000 0.249 98 A C 0.857 178.362 177.584 -0.132 0.000 1.083 98 A CA -0.226 51.641 52.037 -0.284 0.000 0.768 98 A CB -0.200 18.347 19.000 -0.755 0.000 1.017 98 A HN 0.325 nan 8.150 nan 0.000 0.496 99 T N -0.492 114.023 114.554 -0.065 0.000 2.874 99 T HA 0.229 4.579 4.350 -0.000 0.000 0.281 99 T C 1.210 175.927 174.700 0.028 0.000 0.994 99 T CA 0.150 62.250 62.100 -0.000 0.000 1.015 99 T CB 0.599 69.476 68.868 0.016 0.000 1.028 99 T HN 0.716 nan 8.240 nan 0.000 0.523 100 H N 0.595 119.654 119.070 -0.018 0.000 2.352 100 H HA -0.085 4.471 4.556 -0.000 0.000 0.299 100 H C 1.611 176.935 175.328 -0.006 0.000 1.097 100 H CA 2.063 58.110 56.048 -0.002 0.000 1.311 100 H CB 0.067 29.829 29.762 0.001 0.000 1.377 100 H HN 0.681 nan 8.280 nan 0.000 0.504 101 E N 0.820 121.103 120.200 0.138 0.000 2.204 101 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 101 E C 2.207 178.778 176.600 -0.049 0.000 0.989 101 E CA 0.454 56.890 56.400 0.061 0.000 0.824 101 E CB -0.049 29.692 29.700 0.068 0.000 0.756 101 E HN 0.674 nan 8.360 nan 0.000 0.477 102 E N 0.437 120.597 120.200 -0.067 0.000 2.031 102 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 102 E C 2.259 178.731 176.600 -0.214 0.000 0.994 102 E CA 0.796 57.102 56.400 -0.157 0.000 0.800 102 E CB -0.105 29.543 29.700 -0.086 0.000 0.752 102 E HN 0.228 nan 8.360 nan 0.000 0.447 103 I N 1.083 121.612 120.570 -0.069 0.000 2.226 103 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 103 I C 2.615 178.733 176.117 0.003 0.000 1.100 103 I CA 1.155 62.485 61.300 0.050 0.000 1.374 103 I CB -0.260 37.765 38.000 0.041 0.000 1.057 103 I HN 0.039 nan 8.210 nan 0.000 0.413 104 K N 1.459 121.793 120.400 -0.109 0.000 2.057 104 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 104 K C 2.370 178.945 176.600 -0.043 0.000 1.049 104 K CA 1.490 57.724 56.287 -0.089 0.000 0.931 104 K CB -0.067 32.358 32.500 -0.125 0.000 0.714 104 K HN 0.344 nan 8.250 nan 0.000 0.440 105 R N -0.865 119.590 120.500 -0.075 0.000 2.115 105 R HA -0.143 4.197 4.340 -0.000 0.000 0.230 105 R C 1.647 177.942 176.300 -0.007 0.000 1.111 105 R CA 1.762 57.816 56.100 -0.077 0.000 0.976 105 R CB -0.727 29.506 30.300 -0.112 0.000 0.870 105 R HN 0.435 nan 8.270 nan 0.000 0.445 106 H N 0.308 119.408 119.070 0.050 0.000 2.357 106 H HA -0.019 4.537 4.556 -0.000 0.000 0.301 106 H C 2.219 177.637 175.328 0.151 0.000 1.082 106 H CA 1.246 57.369 56.048 0.125 0.000 1.342 106 H CB 0.300 30.196 29.762 0.223 0.000 1.389 106 H HN -0.025 nan 8.280 nan 0.000 0.511 107 V N 1.036 121.082 119.914 0.220 0.000 2.343 107 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 107 V C 2.308 178.451 176.094 0.083 0.000 1.051 107 V CA 1.691 64.070 62.300 0.133 0.000 1.036 107 V CB -0.373 31.483 31.823 0.055 0.000 0.654 107 V HN 0.407 nan 8.190 nan 0.000 0.451 108 I N -0.370 120.190 120.570 -0.017 0.000 2.315 108 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 108 I C 2.539 178.466 176.117 -0.317 0.000 1.117 108 I CA 1.390 62.574 61.300 -0.193 0.000 1.404 108 I CB -0.346 37.508 38.000 -0.244 0.000 1.071 108 I HN 0.395 nan 8.210 nan 0.000 0.419 109 E N -0.138 119.953 120.200 -0.182 0.000 2.051 109 E HA -0.272 4.078 4.350 -0.000 0.000 0.192 109 E C 2.165 178.744 176.600 -0.036 0.000 0.991 109 E CA 1.101 57.344 56.400 -0.262 0.000 0.799 109 E CB -0.223 29.151 29.700 -0.542 0.000 0.748 109 E HN 0.492 nan 8.360 nan 0.000 0.449 110 H N 0.745 119.898 119.070 0.138 0.000 2.290 110 H HA -0.100 4.456 4.556 -0.000 0.000 0.298 110 H C 2.015 177.483 175.328 0.232 0.000 1.087 110 H CA 1.918 58.200 56.048 0.390 0.000 1.291 110 H CB -0.150 29.826 29.762 0.356 0.000 1.369 110 H HN 0.168 nan 8.280 nan 0.000 0.492 111 A N 0.647 123.687 122.820 0.366 0.000 1.883 111 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 111 A C 2.288 180.052 177.584 0.301 0.000 1.186 111 A CA 1.794 54.003 52.037 0.286 0.000 0.624 111 A CB -1.164 17.940 19.000 0.173 0.000 0.822 111 A HN 0.708 nan 8.150 nan 0.000 0.444 112 H N -1.789 117.351 119.070 0.116 0.000 2.353 112 H HA -0.116 4.440 4.556 0.000 0.000 0.300 112 H C 2.217 177.589 175.328 0.073 0.000 1.090 112 H CA 1.449 57.536 56.048 0.065 0.000 1.327 112 H CB -0.128 29.650 29.762 0.025 0.000 1.383 112 H HN 0.573 nan 8.280 nan 0.000 0.508 113 M N 0.902 120.652 119.600 0.249 0.000 2.117 113 M HA -0.225 4.255 4.480 -0.000 0.000 0.262 113 M C 2.064 178.531 176.300 0.279 0.000 1.065 113 M CA 1.652 57.094 55.300 0.237 0.000 1.114 113 M CB 0.098 32.877 32.600 0.298 0.000 1.361 113 M HN 0.266 nan 8.290 nan 0.000 0.408 114 Q N -0.626 119.331 119.800 0.262 0.000 2.020 114 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 114 Q C 2.052 178.189 176.000 0.228 0.000 0.982 114 Q CA 1.992 57.957 55.803 0.270 0.000 0.838 114 Q CB -0.360 28.540 28.738 0.269 0.000 0.899 114 Q HN 0.443 nan 8.270 nan 0.000 0.423 115 V N 1.415 121.428 119.914 0.165 0.000 2.332 115 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 115 V C 2.219 178.342 176.094 0.049 0.000 1.055 115 V CA 1.609 63.966 62.300 0.095 0.000 1.038 115 V CB -0.563 31.298 31.823 0.064 0.000 0.651 115 V HN 0.367 nan 8.190 nan 0.000 0.450 116 L N -0.750 120.465 121.223 -0.012 0.000 2.187 116 L HA -0.175 4.165 4.340 -0.000 0.000 0.213 116 L C 2.227 178.975 176.870 -0.202 0.000 1.100 116 L CA 1.233 55.986 54.840 -0.145 0.000 0.765 116 L CB -0.639 41.267 42.059 -0.255 0.000 0.904 116 L HN 0.479 nan 8.230 nan 0.000 0.437 117 H N -0.755 118.393 119.070 0.129 0.000 2.551 117 H HA 0.192 4.748 4.556 0.000 0.000 0.271 117 H C 1.602 177.094 175.328 0.275 0.000 0.984 117 H CA 0.830 56.974 56.048 0.160 0.000 1.164 117 H CB 0.784 30.619 29.762 0.122 0.000 1.437 117 H HN 0.407 nan 8.280 nan 0.000 0.550 118 G N 1.030 110.012 108.800 0.304 0.000 2.176 118 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.232 118 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.232 118 G C 0.387 175.463 174.900 0.293 0.000 0.986 118 G CA 0.256 45.536 45.100 0.301 0.000 0.643 118 G HN 0.331 nan 8.290 nan 0.000 0.522 119 T N 1.199 115.947 114.554 0.324 0.000 2.761 119 T HA 0.544 4.894 4.350 -0.000 0.000 0.296 119 T C 1.431 176.194 174.700 0.104 0.000 0.934 119 T CA 0.182 62.447 62.100 0.274 0.000 1.091 119 T CB 1.064 70.098 68.868 0.278 0.000 0.896 119 T HN 0.247 nan 8.240 nan 0.000 0.515 120 L N 2.740 123.954 121.223 -0.015 0.000 2.858 120 L HA 0.350 4.690 4.340 -0.000 0.000 0.251 120 L C -0.791 175.745 176.870 -0.556 0.000 1.149 120 L CA -0.087 54.551 54.840 -0.336 0.000 0.955 120 L CB 0.361 42.079 42.059 -0.569 0.000 1.289 120 L HN 0.614 nan 8.230 nan 0.000 0.542 121 Y N -1.370 118.992 120.300 0.103 0.000 2.457 121 Y HA 0.626 5.176 4.550 -0.000 0.000 0.343 121 Y C -0.012 175.927 175.900 0.064 0.000 0.994 121 Y CA -0.870 57.273 58.100 0.072 0.000 1.031 121 Y CB 2.243 40.740 38.460 0.061 0.000 1.246 121 Y HN -0.316 nan 8.280 nan 0.000 0.449 122 T N 2.504 117.163 114.554 0.175 0.000 2.885 122 T HA 0.476 4.826 4.350 -0.000 0.000 0.322 122 T C -1.935 172.776 174.700 0.018 0.000 1.387 122 T CA -0.868 61.292 62.100 0.101 0.000 1.041 122 T CB 1.441 70.374 68.868 0.108 0.000 1.287 122 T HN 0.748 nan 8.240 nan 0.000 0.491 123 R N 2.516 122.993 120.500 -0.039 0.000 2.388 123 R HA 0.589 4.929 4.340 -0.000 0.000 0.314 123 R C -0.825 175.341 176.300 -0.224 0.000 0.959 123 R CA -0.405 55.610 56.100 -0.143 0.000 0.851 123 R CB 1.367 31.565 30.300 -0.171 0.000 1.168 123 R HN 0.618 nan 8.270 nan 0.000 0.472 124 T N 2.211 116.612 114.554 -0.255 0.000 2.902 124 T HA 0.355 4.705 4.350 -0.000 0.000 0.283 124 T C -1.042 173.412 174.700 -0.410 0.000 1.009 124 T CA -0.477 61.455 62.100 -0.281 0.000 1.051 124 T CB 0.594 69.343 68.868 -0.198 0.000 0.999 124 T HN 0.636 nan 8.240 nan 0.000 0.474 125 H N 1.166 119.973 119.070 -0.439 0.000 2.458 125 H HA 0.595 5.151 4.556 0.000 0.000 0.330 125 H C -0.444 174.859 175.328 -0.042 0.000 1.111 125 H CA -0.399 55.451 56.048 -0.329 0.000 1.245 125 H CB 1.361 30.749 29.762 -0.624 0.000 1.456 125 H HN 0.294 nan 8.280 nan 0.000 0.488 126 V N 2.811 122.808 119.914 0.138 0.000 2.448 126 V HA 0.130 4.250 4.120 -0.000 0.000 0.295 126 V C -0.190 176.015 176.094 0.184 0.000 1.025 126 V CA -1.084 61.320 62.300 0.172 0.000 0.859 126 V CB 1.555 33.421 31.823 0.072 0.000 0.988 126 V HN 0.773 nan 8.190 nan 0.000 0.431 127 D N 3.148 123.635 120.400 0.145 0.000 2.450 127 D HA 0.299 4.939 4.640 -0.000 0.000 0.247 127 D C -0.374 175.780 176.300 -0.244 0.000 1.162 127 D CA 0.639 54.564 54.000 -0.125 0.000 0.879 127 D CB 1.091 41.609 40.800 -0.469 0.000 1.163 127 D HN 0.301 nan 8.370 nan 0.000 0.472 128 V N 3.762 123.515 119.914 -0.268 0.000 2.419 128 V HA 0.377 4.497 4.120 -0.000 0.000 0.287 128 V C -0.494 175.437 176.094 -0.271 0.000 1.017 128 V CA -0.656 61.507 62.300 -0.229 0.000 0.844 128 V CB 1.368 33.095 31.823 -0.160 0.000 1.011 128 V HN 0.663 nan 8.190 nan 0.000 0.429 129 D N 2.336 122.595 120.400 -0.235 0.000 2.825 129 D HA 0.288 4.928 4.640 -0.000 0.000 0.327 129 D C 0.937 177.156 176.300 -0.135 0.000 1.277 129 D CA 0.092 53.971 54.000 -0.202 0.000 0.950 129 D CB 1.068 41.735 40.800 -0.221 0.000 1.438 129 D HN 0.268 nan 8.370 nan 0.000 0.526 130 S N -1.086 114.552 115.700 -0.104 0.000 2.561 130 S HA 0.003 4.473 4.470 -0.000 0.000 0.225 130 S C 1.327 175.894 174.600 -0.055 0.000 0.977 130 S CA 0.526 58.685 58.200 -0.068 0.000 0.926 130 S CB -0.431 62.737 63.200 -0.053 0.000 0.769 130 S HN 0.330 nan 8.310 nan 0.000 0.533 131 V N 0.993 120.868 119.914 -0.065 0.000 2.672 131 V HA 0.294 4.414 4.120 -0.000 0.000 0.242 131 V C 2.827 178.907 176.094 -0.023 0.000 1.059 131 V CA 1.143 63.423 62.300 -0.032 0.000 1.081 131 V CB -0.738 31.078 31.823 -0.012 0.000 0.752 131 V HN 0.584 nan 8.190 nan 0.000 0.472 132 A N -1.447 121.323 122.820 -0.084 0.000 2.081 132 A HA 0.112 4.432 4.320 -0.000 0.000 0.214 132 A C 1.457 179.007 177.584 -0.056 0.000 1.158 132 A CA 0.572 52.561 52.037 -0.081 0.000 0.724 132 A CB 0.006 18.793 19.000 -0.356 0.000 0.826 132 A HN 0.386 nan 8.150 nan 0.000 0.463 133 K N -1.932 118.424 120.400 -0.074 0.000 1.791 133 K HA -0.226 4.094 4.320 -0.000 0.000 0.140 133 K C 0.932 177.503 176.600 -0.049 0.000 1.312 133 K CA 2.382 58.639 56.287 -0.051 0.000 0.382 133 K CB -2.044 30.443 32.500 -0.022 0.000 0.635 133 K HN 0.788 nan 8.250 nan 0.000 0.838 134 T N -1.288 113.255 114.554 -0.019 0.000 3.132 134 T HA 0.232 4.582 4.350 -0.000 0.000 0.274 134 T C 1.302 176.018 174.700 0.026 0.000 1.011 134 T CA 0.452 62.547 62.100 -0.008 0.000 0.899 134 T CB 0.837 69.702 68.868 -0.006 0.000 1.089 134 T HN 0.417 nan 8.240 nan 0.000 0.543 135 K N 1.673 122.095 120.400 0.038 0.000 2.032 135 K HA -0.046 4.274 4.320 -0.000 0.000 0.209 135 K C 2.444 179.092 176.600 0.079 0.000 1.048 135 K CA 1.551 57.885 56.287 0.078 0.000 0.927 135 K CB -0.576 31.968 32.500 0.073 0.000 0.712 135 K HN 0.411 nan 8.250 nan 0.000 0.441 136 A N 0.633 123.505 122.820 0.087 0.000 1.930 136 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 136 A C 2.253 179.877 177.584 0.067 0.000 1.175 136 A CA 1.455 53.566 52.037 0.124 0.000 0.627 136 A CB -0.528 18.604 19.000 0.220 0.000 0.815 136 A HN 0.183 nan 8.150 nan 0.000 0.443 137 V N 0.173 120.110 119.914 0.039 0.000 2.295 137 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 137 V C 2.415 178.524 176.094 0.025 0.000 1.049 137 V CA 2.355 64.666 62.300 0.019 0.000 1.024 137 V CB -0.869 30.952 31.823 -0.004 0.000 0.648 137 V HN 0.647 nan 8.190 nan 0.000 0.447 138 E N 0.272 120.502 120.200 0.050 0.000 2.051 138 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 138 E C 2.332 178.978 176.600 0.077 0.000 0.991 138 E CA 1.370 57.827 56.400 0.095 0.000 0.799 138 E CB -0.369 29.432 29.700 0.169 0.000 0.748 138 E HN 0.602 nan 8.360 nan 0.000 0.449 139 A N 0.884 123.660 122.820 -0.073 0.000 1.902 139 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 139 A C 2.501 180.024 177.584 -0.102 0.000 1.181 139 A CA 1.178 53.032 52.037 -0.307 0.000 0.623 139 A CB -0.621 18.123 19.000 -0.426 0.000 0.818 139 A HN 0.115 nan 8.150 nan 0.000 0.443 140 V N 0.127 120.022 119.914 -0.032 0.000 2.307 140 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 140 V C 2.560 178.652 176.094 -0.004 0.000 1.045 140 V CA 1.924 64.220 62.300 -0.007 0.000 1.024 140 V CB -0.767 31.060 31.823 0.008 0.000 0.651 140 V HN 0.568 nan 8.190 nan 0.000 0.449 141 L N -0.201 121.025 121.223 0.005 0.000 2.083 141 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 141 L C 2.571 179.456 176.870 0.024 0.000 1.083 141 L CA 1.904 56.750 54.840 0.011 0.000 0.752 141 L CB -0.526 41.542 42.059 0.014 0.000 0.899 141 L HN 0.453 nan 8.230 nan 0.000 0.433 142 E N 0.421 120.644 120.200 0.040 0.000 2.031 142 E HA -0.244 4.106 4.350 -0.000 0.000 0.193 142 E C 2.261 178.883 176.600 0.036 0.000 0.994 142 E CA 1.259 57.694 56.400 0.058 0.000 0.800 142 E CB -0.038 29.732 29.700 0.117 0.000 0.752 142 E HN 0.426 nan 8.360 nan 0.000 0.447 143 A N 1.624 124.454 122.820 0.016 0.000 1.908 143 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 143 A C 2.118 179.713 177.584 0.017 0.000 1.181 143 A CA 1.928 53.972 52.037 0.010 0.000 0.627 143 A CB -0.628 18.369 19.000 -0.005 0.000 0.818 143 A HN 0.277 nan 8.150 nan 0.000 0.445 144 K N -0.377 120.030 120.400 0.013 0.000 2.044 144 K HA -0.277 4.043 4.320 -0.000 0.000 0.210 144 K C 2.011 178.623 176.600 0.021 0.000 1.049 144 K CA 2.008 58.304 56.287 0.014 0.000 0.927 144 K CB -0.167 32.336 32.500 0.005 0.000 0.713 144 K HN 0.388 nan 8.250 nan 0.000 0.443 145 E N 1.258 121.472 120.200 0.023 0.000 2.051 145 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 145 E C 1.465 178.083 176.600 0.029 0.000 0.991 145 E CA 1.832 58.247 56.400 0.025 0.000 0.799 145 E CB -0.064 29.652 29.700 0.027 0.000 0.748 145 E HN 0.414 nan 8.360 nan 0.000 0.449 146 E N -0.619 119.601 120.200 0.033 0.000 2.409 146 E HA -0.092 4.258 4.350 -0.000 0.000 0.198 146 E C 1.400 178.029 176.600 0.049 0.000 1.024 146 E CA 0.590 57.014 56.400 0.040 0.000 0.861 146 E CB 0.026 29.750 29.700 0.040 0.000 0.788 146 E HN 0.324 nan 8.360 nan 0.000 0.521 147 L N 0.487 121.737 121.223 0.046 0.000 2.693 147 L HA 0.086 4.426 4.340 -0.000 0.000 0.235 147 L C 1.963 178.857 176.870 0.041 0.000 1.127 147 L CA -0.102 54.774 54.840 0.059 0.000 0.914 147 L CB 0.086 42.183 42.059 0.063 0.000 1.193 147 L HN 0.012 nan 8.230 nan 0.000 0.502 148 K N -0.588 119.830 120.400 0.029 0.000 2.286 148 K HA -0.191 4.129 4.320 -0.000 0.000 0.203 148 K C 0.474 177.081 176.600 0.012 0.000 1.045 148 K CA 1.574 57.873 56.287 0.020 0.000 0.935 148 K CB -0.151 32.361 32.500 0.019 0.000 0.737 148 K HN 0.238 nan 8.250 nan 0.000 0.460 149 D N 0.308 120.717 120.400 0.014 0.000 2.339 149 D HA 0.115 4.755 4.640 -0.000 0.000 0.217 149 D C 1.433 177.730 176.300 -0.005 0.000 1.050 149 D CA 0.384 54.386 54.000 0.004 0.000 0.856 149 D CB 0.421 41.226 40.800 0.007 0.000 0.922 149 D HN 0.295 nan 8.370 nan 0.000 0.518 150 L N -0.497 120.728 121.223 0.003 0.000 2.624 150 L HA 0.390 4.730 4.340 -0.000 0.000 0.222 150 L C 0.546 177.401 176.870 -0.024 0.000 1.046 150 L CA 0.163 55.001 54.840 -0.003 0.000 0.872 150 L CB 1.518 43.600 42.059 0.038 0.000 1.190 150 L HN -0.123 nan 8.230 nan 0.000 0.487 151 I N -0.824 119.736 120.570 -0.017 0.000 2.842 151 I HA 0.264 4.434 4.170 -0.000 0.000 0.297 151 I C -1.775 174.324 176.117 -0.030 0.000 1.380 151 I CA -0.658 60.613 61.300 -0.048 0.000 1.018 151 I CB 2.660 40.669 38.000 0.015 0.000 1.311 151 I HN -0.156 nan 8.210 nan 0.000 0.439 152 D N 7.730 128.099 120.400 -0.052 0.000 2.280 152 D HA 0.506 5.146 4.640 -0.000 0.000 0.243 152 D C -0.525 175.808 176.300 0.055 0.000 1.129 152 D CA 0.369 54.387 54.000 0.030 0.000 0.848 152 D CB 1.557 42.428 40.800 0.119 0.000 1.107 152 D HN 0.301 nan 8.370 nan 0.000 0.471 153 I N 2.058 122.647 120.570 0.032 0.000 2.406 153 I HA 0.185 4.355 4.170 -0.000 0.000 0.290 153 I C 0.190 176.298 176.117 -0.015 0.000 0.999 153 I CA -0.732 60.574 61.300 0.009 0.000 1.124 153 I CB 1.559 39.556 38.000 -0.006 0.000 1.289 153 I HN -0.024 nan 8.210 nan 0.000 0.441 154 Q N 4.848 124.623 119.800 -0.042 0.000 2.271 154 Q HA 0.539 4.879 4.340 -0.000 0.000 0.258 154 Q C -1.119 174.801 176.000 -0.134 0.000 0.936 154 Q CA -0.710 55.046 55.803 -0.078 0.000 0.909 154 Q CB 2.959 31.643 28.738 -0.090 0.000 1.253 154 Q HN 0.417 nan 8.270 nan 0.000 0.440 155 V N 3.382 123.218 119.914 -0.129 0.000 2.384 155 V HA 0.299 4.419 4.120 -0.000 0.000 0.287 155 V C -0.253 175.725 176.094 -0.194 0.000 1.020 155 V CA -0.735 61.471 62.300 -0.155 0.000 0.850 155 V CB 1.589 33.356 31.823 -0.094 0.000 0.987 155 V HN 0.496 nan 8.190 nan 0.000 0.436 156 V N 4.209 123.942 119.914 -0.300 0.000 2.370 156 V HA 0.559 4.679 4.120 -0.000 0.000 0.279 156 V C 0.737 176.749 176.094 -0.136 0.000 1.029 156 V CA -0.590 61.530 62.300 -0.301 0.000 0.870 156 V CB 1.547 32.981 31.823 -0.648 0.000 0.984 156 V HN 0.969 nan 8.190 nan 0.000 0.451 157 A N 5.792 128.567 122.820 -0.075 0.000 2.457 157 A HA 0.449 4.769 4.320 -0.000 0.000 0.298 157 A C -0.563 177.053 177.584 0.054 0.000 1.288 157 A CA -0.008 52.013 52.037 -0.026 0.000 0.956 157 A CB -0.529 18.438 19.000 -0.057 0.000 1.135 157 A HN 0.666 nan 8.150 nan 0.000 0.535 158 F N 3.982 123.861 119.950 -0.119 0.000 2.371 158 F HA 0.511 5.038 4.527 -0.000 0.000 0.363 158 F C 0.643 176.298 175.800 -0.243 0.000 1.122 158 F CA -1.706 56.208 58.000 -0.144 0.000 1.129 158 F CB 0.988 39.960 39.000 -0.047 0.000 1.173 158 F HN 0.587 nan 8.300 nan 0.000 0.489 159 A N 6.602 129.100 122.820 -0.536 0.000 3.048 159 A HA 0.085 4.405 4.320 -0.000 0.000 0.264 159 A C 1.724 178.685 177.584 -1.039 0.000 1.796 159 A CA -0.149 51.402 52.037 -0.811 0.000 1.445 159 A CB -0.673 17.562 19.000 -1.275 0.000 1.074 159 A HN 0.858 nan 8.150 nan 0.000 0.621 160 Q N 0.577 119.597 119.800 -1.300 0.000 2.217 160 Q HA -0.187 4.153 4.340 -0.000 0.000 0.209 160 Q C 1.290 176.916 176.000 -0.624 0.000 0.988 160 Q CA 2.487 57.517 55.803 -1.289 0.000 0.878 160 Q CB -0.055 28.152 28.738 -0.884 0.000 0.909 160 Q HN 0.609 nan 8.270 nan 0.000 0.424 161 S N -1.034 114.392 115.700 -0.457 0.000 2.524 161 S HA 0.323 4.793 4.470 -0.000 0.000 0.216 161 S C 0.359 174.829 174.600 -0.217 0.000 0.987 161 S CA 0.546 58.589 58.200 -0.262 0.000 0.909 161 S CB 0.510 63.596 63.200 -0.191 0.000 0.781 161 S HN 0.698 nan 8.310 nan 0.000 0.521 162 G N 0.679 109.282 108.800 -0.329 0.000 2.911 162 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.686 162 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.686 162 G C -0.078 174.712 174.900 -0.183 0.000 1.136 162 G CA -0.910 44.065 45.100 -0.209 0.000 0.764 162 G HN 0.136 nan 8.290 nan 0.000 0.626 163 F N 0.958 120.899 119.950 -0.016 0.000 2.269 163 F HA 0.163 4.690 4.527 -0.000 0.000 0.301 163 F C 2.226 177.820 175.800 -0.344 0.000 1.082 163 F CA 1.444 59.335 58.000 -0.182 0.000 1.360 163 F CB -0.159 38.709 39.000 -0.220 0.000 1.041 163 F HN 0.409 nan 8.300 nan 0.000 0.512 164 F N -2.106 117.947 119.950 0.172 0.000 2.653 164 F HA 0.173 4.700 4.527 -0.000 0.000 0.304 164 F C 1.501 177.334 175.800 0.055 0.000 1.092 164 F CA -0.002 58.062 58.000 0.107 0.000 1.279 164 F CB -0.028 39.035 39.000 0.106 0.000 1.044 164 F HN -0.286 nan 8.300 nan 0.000 0.564 165 V N -1.796 118.200 119.914 0.136 0.000 2.908 165 V HA 0.039 4.159 4.120 -0.000 0.000 0.240 165 V C 0.227 176.330 176.094 0.014 0.000 1.117 165 V CA 0.684 63.026 62.300 0.070 0.000 1.133 165 V CB 0.244 32.090 31.823 0.037 0.000 0.857 165 V HN 0.023 nan 8.190 nan 0.000 0.478 166 D N 0.765 121.149 120.400 -0.027 0.000 2.462 166 D HA 0.247 4.887 4.640 -0.000 0.000 0.249 166 D C 0.880 177.150 176.300 -0.051 0.000 1.117 166 D CA -0.190 53.779 54.000 -0.051 0.000 0.900 166 D CB 1.082 41.824 40.800 -0.095 0.000 1.039 166 D HN 0.177 nan 8.370 nan 0.000 0.516 167 L N 2.091 123.293 121.223 -0.034 0.000 2.642 167 L HA -0.057 4.283 4.340 -0.000 0.000 0.236 167 L C 1.905 178.751 176.870 -0.039 0.000 1.169 167 L CA 0.691 55.504 54.840 -0.045 0.000 0.851 167 L CB -0.081 41.961 42.059 -0.028 0.000 0.968 167 L HN 0.407 nan 8.230 nan 0.000 0.453 168 E N -0.632 119.546 120.200 -0.038 0.000 2.474 168 E HA -0.050 4.300 4.350 -0.000 0.000 0.194 168 E C 1.992 178.575 176.600 -0.029 0.000 1.041 168 E CA 0.075 56.456 56.400 -0.032 0.000 0.874 168 E CB 0.368 30.046 29.700 -0.036 0.000 0.914 168 E HN 0.345 nan 8.360 nan 0.000 0.498 169 S N 1.035 116.715 115.700 -0.034 0.000 2.359 169 S HA -0.255 4.215 4.470 -0.000 0.000 0.224 169 S C 1.776 176.438 174.600 0.103 0.000 1.035 169 S CA 1.583 59.764 58.200 -0.031 0.000 1.018 169 S CB -0.240 62.879 63.200 -0.136 0.000 0.876 169 S HN 0.421 nan 8.310 nan 0.000 0.448 170 E N 1.227 121.529 120.200 0.171 0.000 2.070 170 E HA -0.204 4.146 4.350 -0.000 0.000 0.197 170 E C 2.140 178.774 176.600 0.056 0.000 1.004 170 E CA 1.702 58.177 56.400 0.126 0.000 0.805 170 E CB -0.205 29.480 29.700 -0.025 0.000 0.744 170 E HN 0.623 nan 8.360 nan 0.000 0.451 171 S N 0.445 116.158 115.700 0.023 0.000 2.371 171 S HA -0.109 4.361 4.470 -0.000 0.000 0.224 171 S C 2.142 176.746 174.600 0.007 0.000 1.029 171 S CA 0.922 59.131 58.200 0.014 0.000 0.978 171 S CB -0.584 62.618 63.200 0.003 0.000 0.833 171 S HN 0.336 nan 8.310 nan 0.000 0.466 172 L N 0.654 121.874 121.223 -0.005 0.000 2.191 172 L HA -0.011 4.329 4.340 -0.000 0.000 0.212 172 L C 2.453 179.303 176.870 -0.033 0.000 1.103 172 L CA 0.706 55.530 54.840 -0.026 0.000 0.769 172 L CB -0.504 41.526 42.059 -0.048 0.000 0.908 172 L HN 0.319 nan 8.230 nan 0.000 0.438 173 I N -0.431 120.137 120.570 -0.003 0.000 2.353 173 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 173 I C 2.643 178.710 176.117 -0.084 0.000 1.119 173 I CA 1.224 62.518 61.300 -0.009 0.000 1.417 173 I CB -0.812 37.263 38.000 0.125 0.000 1.078 173 I HN 0.283 nan 8.210 nan 0.000 0.421 174 R N 0.929 121.403 120.500 -0.044 0.000 2.081 174 R HA -0.161 4.179 4.340 -0.000 0.000 0.235 174 R C 2.248 178.464 176.300 -0.140 0.000 1.131 174 R CA 1.255 57.312 56.100 -0.070 0.000 0.960 174 R CB -0.138 30.224 30.300 0.103 0.000 0.856 174 R HN 0.380 nan 8.270 nan 0.000 0.436 175 K N -0.009 120.353 120.400 -0.062 0.000 2.026 175 K HA -0.065 4.255 4.320 -0.000 0.000 0.208 175 K C 2.238 178.781 176.600 -0.096 0.000 1.048 175 K CA 1.668 57.924 56.287 -0.051 0.000 0.929 175 K CB -0.085 32.400 32.500 -0.024 0.000 0.713 175 K HN 0.016 nan 8.250 nan 0.000 0.439 176 S N 1.485 117.118 115.700 -0.111 0.000 2.368 176 S HA -0.076 4.394 4.470 -0.000 0.000 0.225 176 S C 1.936 176.428 174.600 -0.180 0.000 1.030 176 S CA 1.042 59.174 58.200 -0.113 0.000 0.999 176 S CB -0.209 62.935 63.200 -0.093 0.000 0.844 176 S HN 0.190 nan 8.310 nan 0.000 0.459 177 L N 1.243 122.268 121.223 -0.329 0.000 2.141 177 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 177 L C 2.430 179.016 176.870 -0.474 0.000 1.094 177 L CA 1.117 55.647 54.840 -0.516 0.000 0.763 177 L CB -0.454 41.007 42.059 -0.996 0.000 0.908 177 L HN 0.339 nan 8.230 nan 0.000 0.437 178 D N 0.336 120.506 120.400 -0.382 0.000 2.178 178 D HA -0.164 4.476 4.640 -0.000 0.000 0.202 178 D C 2.150 178.442 176.300 -0.015 0.000 0.974 178 D CA 1.037 55.009 54.000 -0.046 0.000 0.841 178 D CB 0.181 41.022 40.800 0.068 0.000 0.953 178 D HN 0.311 nan 8.370 nan 0.000 0.478 179 M N -0.852 118.717 119.600 -0.051 0.000 2.630 179 M HA 0.036 4.516 4.480 -0.000 0.000 0.254 179 M C 1.377 177.666 176.300 -0.018 0.000 1.092 179 M CA 1.148 56.435 55.300 -0.021 0.000 1.087 179 M CB 0.588 33.174 32.600 -0.022 0.000 1.453 179 M HN 0.205 nan 8.290 nan 0.000 0.509 180 G N -0.624 108.155 108.800 -0.036 0.000 2.205 180 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.180 180 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.180 180 G C 0.053 174.930 174.900 -0.039 0.000 1.004 180 G CA -0.672 44.416 45.100 -0.021 0.000 0.670 180 G HN 0.401 nan 8.290 nan 0.000 0.496 181 C N 2.032 121.291 119.300 -0.069 0.000 2.597 181 C HA 0.252 4.712 4.460 -0.000 0.000 0.412 181 C C 1.729 176.679 174.990 -0.067 0.000 1.348 181 C CA 0.646 59.619 59.018 -0.076 0.000 1.769 181 C CB 0.290 27.971 27.740 -0.097 0.000 2.641 181 C HN 0.521 nan 8.230 nan 0.000 0.612 182 D N 1.030 121.389 120.400 -0.067 0.000 2.289 182 D HA 0.085 4.725 4.640 -0.000 0.000 0.207 182 D C 0.116 176.381 176.300 -0.057 0.000 0.966 182 D CA 1.146 55.114 54.000 -0.054 0.000 0.868 182 D CB 0.248 41.012 40.800 -0.060 0.000 0.943 182 D HN 0.343 nan 8.370 nan 0.000 0.514 183 L N -0.756 120.416 121.223 -0.085 0.000 2.491 183 L HA 0.438 4.778 4.340 -0.000 0.000 0.254 183 L C -0.815 176.011 176.870 -0.074 0.000 1.048 183 L CA -1.022 53.773 54.840 -0.076 0.000 0.855 183 L CB 2.603 44.591 42.059 -0.119 0.000 1.466 183 L HN -0.327 nan 8.230 nan 0.000 0.409 184 V N -0.515 119.374 119.914 -0.042 0.000 2.823 184 V HA 1.021 5.141 4.120 -0.000 0.000 0.312 184 V C -0.706 175.374 176.094 -0.024 0.000 1.072 184 V CA 0.192 62.482 62.300 -0.016 0.000 0.937 184 V CB 1.902 33.739 31.823 0.023 0.000 1.013 184 V HN 0.848 nan 8.190 nan 0.000 0.430 185 G N 2.757 111.552 108.800 -0.009 0.000 2.703 185 G HA2 0.685 4.645 3.960 -0.000 0.000 0.294 185 G HA3 0.685 4.645 3.960 -0.000 0.000 0.294 185 G C -0.638 174.129 174.900 -0.221 0.000 1.451 185 G CA 0.021 45.032 45.100 -0.147 0.000 0.869 185 G HN 1.262 nan 8.290 nan 0.000 0.516 186 G N -1.349 106.931 108.800 -0.866 0.000 3.075 186 G HA2 0.811 4.771 3.960 -0.000 0.000 0.253 186 G HA3 0.811 4.771 3.960 -0.000 0.000 0.253 186 G C -1.057 173.660 174.900 -0.305 0.000 1.353 186 G CA -0.606 44.122 45.100 -0.619 0.000 1.051 186 G HN 1.173 nan 8.290 nan 0.000 0.553 187 V N -0.308 119.622 119.914 0.027 0.000 3.001 187 V HA 0.328 4.448 4.120 -0.000 0.000 0.314 187 V C -0.859 175.446 176.094 0.351 0.000 1.099 187 V CA -0.976 61.475 62.300 0.252 0.000 0.989 187 V CB 1.899 33.788 31.823 0.111 0.000 1.040 187 V HN 0.740 nan 8.190 nan 0.000 0.434 188 D N 3.080 123.672 120.400 0.319 0.000 8.133 188 D HA -0.150 4.490 4.640 -0.000 0.000 0.154 188 D C -1.770 174.658 176.300 0.213 0.000 1.258 188 D CA 0.215 54.355 54.000 0.233 0.000 0.886 188 D CB 0.022 40.935 40.800 0.189 0.000 1.696 188 D HN 0.381 nan 8.370 nan 0.000 0.965 189 P HA -0.197 nan 4.420 nan 0.000 0.218 189 P C 1.058 178.431 177.300 0.121 0.000 1.146 189 P CA 1.878 65.076 63.100 0.162 0.000 0.813 189 P CB 0.390 32.116 31.700 0.042 0.000 0.778 190 A N -0.619 122.272 122.820 0.117 0.000 1.908 190 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 190 A C 2.240 179.879 177.584 0.092 0.000 1.378 190 A CA 1.900 54.003 52.037 0.109 0.000 0.613 190 A CB -1.693 17.385 19.000 0.131 0.000 1.053 190 A HN 0.260 nan 8.150 nan 0.000 0.484 191 T N -2.672 111.939 114.554 0.094 0.000 3.007 191 T HA -0.065 4.285 4.350 -0.000 0.000 0.270 191 T C 1.754 176.501 174.700 0.078 0.000 1.107 191 T CA 1.607 63.754 62.100 0.079 0.000 1.118 191 T CB -0.084 68.831 68.868 0.079 0.000 0.889 191 T HN 0.340 nan 8.240 nan 0.000 0.506 192 R N 0.920 121.478 120.500 0.095 0.000 2.102 192 R HA 0.237 4.577 4.340 -0.000 0.000 0.208 192 R C 2.379 178.739 176.300 0.101 0.000 1.131 192 R CA 0.825 56.978 56.100 0.088 0.000 1.054 192 R CB -0.241 30.114 30.300 0.091 0.000 0.954 192 R HN 0.268 nan 8.270 nan 0.000 0.465 193 E N 0.671 120.951 120.200 0.132 0.000 2.170 193 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 193 E C -0.164 176.479 176.600 0.070 0.000 0.981 193 E CA 0.594 57.092 56.400 0.165 0.000 0.830 193 E CB -0.141 29.702 29.700 0.238 0.000 0.775 193 E HN 0.411 nan 8.360 nan 0.000 0.470 194 N N 1.193 119.921 118.700 0.047 0.000 2.735 194 N HA -0.187 4.553 4.740 -0.000 0.000 0.248 194 N C -0.585 174.885 175.510 -0.065 0.000 1.083 194 N CA 0.593 53.647 53.050 0.008 0.000 0.703 194 N CB -0.684 37.811 38.487 0.013 0.000 1.005 194 N HN 0.018 nan 8.380 nan 0.000 0.550 195 N N -0.315 118.333 118.700 -0.086 0.000 3.151 195 N HA 0.120 4.860 4.740 -0.000 0.000 0.219 195 N C 0.273 175.732 175.510 -0.086 0.000 1.434 195 N CA -0.246 52.690 53.050 -0.191 0.000 0.767 195 N CB 0.365 38.506 38.487 -0.577 0.000 1.564 195 N HN -0.071 nan 8.380 nan 0.000 0.612 196 V N 1.792 121.707 119.914 0.002 0.000 2.307 196 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 196 V C 2.008 178.112 176.094 0.016 0.000 1.045 196 V CA 1.468 63.790 62.300 0.037 0.000 1.024 196 V CB -0.082 31.803 31.823 0.103 0.000 0.651 196 V HN 0.511 nan 8.190 nan 0.000 0.449 197 E N 0.746 120.951 120.200 0.009 0.000 2.072 197 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 197 E C 2.342 178.957 176.600 0.025 0.000 0.985 197 E CA 1.483 57.889 56.400 0.010 0.000 0.801 197 E CB -0.786 28.918 29.700 0.007 0.000 0.750 197 E HN 0.597 nan 8.360 nan 0.000 0.452 198 G N 1.488 110.273 108.800 -0.026 0.000 2.404 198 G HA2 -0.270 3.689 3.960 -0.000 0.000 0.215 198 G HA3 -0.270 3.689 3.960 -0.000 0.000 0.215 198 G C 1.839 176.900 174.900 0.268 0.000 1.174 198 G CA 1.631 46.745 45.100 0.024 0.000 0.780 198 G HN 0.424 nan 8.290 nan 0.000 0.537 199 S N 0.621 116.493 115.700 0.287 0.000 2.368 199 S HA 0.041 4.511 4.470 -0.000 0.000 0.224 199 S C 2.370 177.185 174.600 0.359 0.000 1.029 199 S CA 0.999 59.515 58.200 0.527 0.000 0.988 199 S CB -0.423 63.104 63.200 0.546 0.000 0.838 199 S HN 0.272 nan 8.310 nan 0.000 0.462 200 L N 1.483 122.839 121.223 0.221 0.000 2.027 200 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 200 L C 2.538 179.580 176.870 0.288 0.000 1.074 200 L CA 1.649 56.606 54.840 0.195 0.000 0.745 200 L CB -0.821 41.292 42.059 0.091 0.000 0.898 200 L HN 0.246 nan 8.230 nan 0.000 0.433 201 D N 0.107 120.623 120.400 0.193 0.000 2.123 201 D HA -0.187 4.453 4.640 -0.000 0.000 0.196 201 D C 2.054 178.426 176.300 0.121 0.000 0.992 201 D CA 1.087 55.178 54.000 0.151 0.000 0.833 201 D CB -0.145 40.699 40.800 0.073 0.000 0.954 201 D HN 0.111 nan 8.370 nan 0.000 0.455 202 L N 0.467 121.730 121.223 0.066 0.000 2.046 202 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 202 L C 2.423 179.183 176.870 -0.183 0.000 1.077 202 L CA 1.483 56.259 54.840 -0.107 0.000 0.747 202 L CB -0.867 41.031 42.059 -0.269 0.000 0.896 202 L HN 0.135 nan 8.230 nan 0.000 0.432 203 C N -0.833 118.406 119.300 -0.102 0.000 2.413 203 C HA -0.206 4.254 4.460 -0.000 0.000 0.276 203 C C 2.680 177.624 174.990 -0.077 0.000 1.248 203 C CA 0.841 59.829 59.018 -0.050 0.000 1.742 203 C CB -1.301 26.583 27.740 0.240 0.000 2.017 203 C HN 0.605 nan 8.230 nan 0.000 0.481 204 F N 0.967 120.889 119.950 -0.047 0.000 2.234 204 F HA -0.051 4.476 4.527 -0.000 0.000 0.299 204 F C 2.456 178.167 175.800 -0.149 0.000 1.087 204 F CA 1.977 59.884 58.000 -0.155 0.000 1.340 204 F CB -0.376 38.508 39.000 -0.195 0.000 1.031 204 F HN 0.234 nan 8.300 nan 0.000 0.500 205 K N 0.779 121.221 120.400 0.070 0.000 2.002 205 K HA -0.175 4.145 4.320 -0.000 0.000 0.209 205 K C 2.002 178.614 176.600 0.019 0.000 1.048 205 K CA 1.417 57.714 56.287 0.018 0.000 0.930 205 K CB -0.342 32.149 32.500 -0.014 0.000 0.714 205 K HN 0.255 nan 8.250 nan 0.000 0.438 206 L N 0.454 121.680 121.223 0.004 0.000 2.083 206 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 206 L C 2.659 179.623 176.870 0.157 0.000 1.083 206 L CA 1.166 56.055 54.840 0.082 0.000 0.752 206 L CB -0.620 41.452 42.059 0.022 0.000 0.899 206 L HN 0.293 nan 8.230 nan 0.000 0.433 207 A N 0.381 123.247 122.820 0.076 0.000 1.883 207 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 207 A C 2.354 180.055 177.584 0.196 0.000 1.186 207 A CA 1.814 53.924 52.037 0.121 0.000 0.624 207 A CB -0.374 18.630 19.000 0.006 0.000 0.822 207 A HN 0.320 nan 8.150 nan 0.000 0.444 208 K N -0.536 119.931 120.400 0.113 0.000 2.097 208 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 208 K C 1.962 178.605 176.600 0.071 0.000 1.050 208 K CA 1.397 57.762 56.287 0.129 0.000 0.938 208 K CB -0.151 32.384 32.500 0.059 0.000 0.718 208 K HN 0.607 nan 8.250 nan 0.000 0.442 209 E N -0.425 119.790 120.200 0.026 0.000 2.118 209 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 209 E C 0.803 177.204 176.600 -0.332 0.000 0.992 209 E CA 1.275 57.585 56.400 -0.150 0.000 0.804 209 E CB 0.084 29.680 29.700 -0.173 0.000 0.741 209 E HN 0.385 nan 8.360 nan 0.000 0.458 210 Y N -0.553 119.773 120.300 0.043 0.000 2.531 210 Y HA 0.105 4.655 4.550 -0.000 0.000 0.249 210 Y C 0.053 175.985 175.900 0.054 0.000 1.168 210 Y CA -0.135 57.989 58.100 0.039 0.000 1.226 210 Y CB 0.675 39.153 38.460 0.029 0.000 1.177 210 Y HN -0.094 nan 8.280 nan 0.000 0.527 211 D N 0.894 121.400 120.400 0.177 0.000 2.686 211 D HA -0.157 4.483 4.640 -0.000 0.000 0.235 211 D C -0.621 175.768 176.300 0.148 0.000 1.160 211 D CA 0.890 54.988 54.000 0.164 0.000 0.645 211 D CB -0.869 39.985 40.800 0.091 0.000 1.039 211 D HN 0.179 nan 8.370 nan 0.000 0.423 212 V N -2.780 117.251 119.914 0.194 0.000 2.994 212 V HA 0.776 4.896 4.120 -0.000 0.000 0.318 212 V C 0.714 176.898 176.094 0.150 0.000 1.085 212 V CA -0.952 61.422 62.300 0.122 0.000 0.998 212 V CB 1.969 33.849 31.823 0.094 0.000 1.063 212 V HN -0.037 nan 8.190 nan 0.000 0.447 213 D N 0.944 121.376 120.400 0.054 0.000 2.411 213 D HA 0.611 5.251 4.640 -0.000 0.000 0.251 213 D C -0.291 176.046 176.300 0.063 0.000 1.201 213 D CA 0.073 54.105 54.000 0.053 0.000 0.996 213 D CB 1.016 41.791 40.800 -0.042 0.000 1.101 213 D HN 0.637 nan 8.370 nan 0.000 0.504 214 I N 0.401 121.003 120.570 0.053 0.000 2.569 214 I HA 0.271 4.441 4.170 -0.000 0.000 0.296 214 I C -0.695 175.411 176.117 -0.019 0.000 1.028 214 I CA -0.638 60.659 61.300 -0.005 0.000 1.082 214 I CB 1.881 39.832 38.000 -0.082 0.000 1.264 214 I HN 0.095 nan 8.210 nan 0.000 0.429 215 D N 5.364 125.752 120.400 -0.021 0.000 2.476 215 D HA 0.223 4.863 4.640 -0.000 0.000 0.251 215 D C -1.686 174.638 176.300 0.039 0.000 1.291 215 D CA -0.289 53.706 54.000 -0.007 0.000 0.939 215 D CB 1.135 41.909 40.800 -0.042 0.000 1.221 215 D HN 0.292 nan 8.370 nan 0.000 0.567 216 Y N 1.990 122.268 120.300 -0.037 0.000 2.323 216 Y HA 0.256 4.806 4.550 -0.000 0.000 0.331 216 Y C 0.224 176.090 175.900 -0.056 0.000 1.092 216 Y CA -0.446 57.662 58.100 0.014 0.000 1.150 216 Y CB 0.969 39.422 38.460 -0.013 0.000 1.200 216 Y HN 0.368 nan 8.280 nan 0.000 0.472 217 H N 5.113 124.177 119.070 -0.009 0.000 2.782 217 H HA 0.360 4.916 4.556 -0.000 0.000 0.285 217 H C -0.652 174.630 175.328 -0.077 0.000 1.093 217 H CA 0.254 56.209 56.048 -0.153 0.000 1.410 217 H CB 0.080 29.801 29.762 -0.068 0.000 1.439 217 H HN 0.466 nan 8.280 nan 0.000 0.469 218 I N 4.242 124.693 120.570 -0.197 0.000 2.495 218 I HA 0.096 4.266 4.170 -0.000 0.000 0.277 218 I C 0.040 175.923 176.117 -0.390 0.000 1.045 218 I CA -0.273 60.935 61.300 -0.154 0.000 1.135 218 I CB 0.871 38.818 38.000 -0.088 0.000 1.241 218 I HN 0.794 nan 8.210 nan 0.000 0.469 219 H N 1.429 120.361 119.070 -0.230 0.000 2.520 219 H HA 0.083 4.639 4.556 -0.000 0.000 0.279 219 H C 0.043 175.333 175.328 -0.063 0.000 0.990 219 H CA -0.003 55.779 56.048 -0.444 0.000 1.288 219 H CB 0.106 29.614 29.762 -0.423 0.000 1.446 219 H HN 0.422 nan 8.280 nan 0.000 0.538 220 D N 2.008 122.480 120.400 0.121 0.000 2.586 220 D HA -0.042 4.598 4.640 -0.000 0.000 0.234 220 D C 0.791 177.164 176.300 0.122 0.000 1.132 220 D CA 0.379 54.457 54.000 0.130 0.000 0.860 220 D CB 0.267 41.129 40.800 0.102 0.000 1.159 220 D HN 0.423 nan 8.370 nan 0.000 0.490 221 I N -1.133 119.524 120.570 0.146 0.000 3.110 221 I HA 0.596 4.766 4.170 -0.000 0.000 0.314 221 I C 1.236 177.381 176.117 0.047 0.000 1.020 221 I CA -0.513 60.859 61.300 0.120 0.000 1.169 221 I CB 0.628 38.703 38.000 0.124 0.000 1.437 221 I HN 0.506 nan 8.210 nan 0.000 0.595 222 G N 2.481 111.291 108.800 0.017 0.000 2.575 222 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.267 222 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.267 222 G C 0.663 175.495 174.900 -0.114 0.000 1.264 222 G CA 0.866 45.928 45.100 -0.063 0.000 0.935 222 G HN 1.331 nan 8.290 nan 0.000 0.568 223 T N -2.145 112.238 114.554 -0.286 0.000 2.881 223 T HA -0.020 4.330 4.350 -0.000 0.000 0.270 223 T C 2.389 177.058 174.700 -0.052 0.000 1.068 223 T CA 2.402 64.231 62.100 -0.451 0.000 1.131 223 T CB -0.247 68.052 68.868 -0.948 0.000 0.871 223 T HN 1.436 nan 8.240 nan 0.000 0.479 224 V N 1.669 121.585 119.914 0.003 0.000 2.626 224 V HA 0.110 4.230 4.120 -0.000 0.000 0.252 224 V C 2.623 178.821 176.094 0.175 0.000 1.067 224 V CA 1.924 64.298 62.300 0.124 0.000 1.081 224 V CB -1.033 30.838 31.823 0.080 0.000 0.686 224 V HN 0.672 nan 8.190 nan 0.000 0.468 225 G N -0.813 108.050 108.800 0.104 0.000 2.394 225 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 225 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 225 G C 1.620 176.584 174.900 0.107 0.000 1.176 225 G CA 1.069 46.212 45.100 0.071 0.000 0.786 225 G HN 0.406 nan 8.290 nan 0.000 0.533 226 V N 0.099 120.126 119.914 0.188 0.000 2.407 226 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 226 V C 2.295 178.642 176.094 0.422 0.000 1.055 226 V CA 1.724 64.246 62.300 0.370 0.000 1.049 226 V CB -0.709 31.445 31.823 0.552 0.000 0.662 226 V HN 0.474 nan 8.190 nan 0.000 0.455 227 Y N 1.539 122.026 120.300 0.312 0.000 2.145 227 Y HA -0.246 4.304 4.550 0.000 0.000 0.286 227 Y C 2.751 178.757 175.900 0.176 0.000 1.145 227 Y CA 1.822 60.087 58.100 0.276 0.000 1.148 227 Y CB -0.491 38.117 38.460 0.247 0.000 0.981 227 Y HN 0.204 nan 8.280 nan 0.000 0.507 228 S N 0.565 116.300 115.700 0.057 0.000 2.370 228 S HA -0.202 4.268 4.470 -0.000 0.000 0.226 228 S C 2.066 176.611 174.600 -0.090 0.000 1.033 228 S CA 1.806 59.958 58.200 -0.081 0.000 1.011 228 S CB -0.538 62.669 63.200 0.012 0.000 0.852 228 S HN 0.516 nan 8.310 nan 0.000 0.457 229 I N 1.858 122.444 120.570 0.026 0.000 2.315 229 I HA -0.154 4.016 4.170 -0.000 0.000 0.248 229 I C 1.968 178.186 176.117 0.167 0.000 1.117 229 I CA 0.766 62.112 61.300 0.078 0.000 1.404 229 I CB -0.438 37.656 38.000 0.157 0.000 1.071 229 I HN 0.215 nan 8.210 nan 0.000 0.419 230 N N 0.874 119.695 118.700 0.201 0.000 2.188 230 N HA -0.121 4.619 4.740 -0.000 0.000 0.184 230 N C 1.913 177.428 175.510 0.008 0.000 1.018 230 N CA 0.983 54.142 53.050 0.183 0.000 0.858 230 N CB -0.273 38.295 38.487 0.135 0.000 0.989 230 N HN 0.217 nan 8.380 nan 0.000 0.426 231 R N 0.687 121.086 120.500 -0.169 0.000 2.096 231 R HA -0.030 4.310 4.340 -0.000 0.000 0.235 231 R C 2.075 178.332 176.300 -0.071 0.000 1.127 231 R CA 0.400 56.384 56.100 -0.194 0.000 0.968 231 R CB -1.139 28.953 30.300 -0.347 0.000 0.861 231 R HN 0.248 nan 8.270 nan 0.000 0.440 232 L N 0.817 122.013 121.223 -0.045 0.000 2.046 232 L HA -0.034 4.306 4.340 -0.000 0.000 0.208 232 L C 2.165 179.101 176.870 0.110 0.000 1.077 232 L CA 2.033 56.894 54.840 0.036 0.000 0.747 232 L CB -0.773 41.249 42.059 -0.062 0.000 0.896 232 L HN 0.143 nan 8.230 nan 0.000 0.432 233 A N -1.141 121.743 122.820 0.107 0.000 1.898 233 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 233 A C 2.269 179.908 177.584 0.092 0.000 1.181 233 A CA 1.644 53.768 52.037 0.146 0.000 0.620 233 A CB -0.666 18.508 19.000 0.289 0.000 0.819 233 A HN 0.558 nan 8.150 nan 0.000 0.442 234 Q N 0.198 120.025 119.800 0.046 0.000 2.079 234 Q HA -0.095 4.245 4.340 -0.000 0.000 0.200 234 Q C 1.857 177.815 176.000 -0.070 0.000 0.974 234 Q CA 2.063 57.862 55.803 -0.008 0.000 0.840 234 Q CB -0.278 28.445 28.738 -0.026 0.000 0.898 234 Q HN 0.669 nan 8.270 nan 0.000 0.430 235 K N -1.054 119.277 120.400 -0.114 0.000 2.288 235 K HA -0.030 4.289 4.320 -0.000 0.000 0.201 235 K C 1.949 178.249 176.600 -0.500 0.000 1.048 235 K CA 1.277 57.366 56.287 -0.331 0.000 0.956 235 K CB 0.071 32.350 32.500 -0.367 0.000 0.746 235 K HN 0.205 nan 8.250 nan 0.000 0.461 236 T N 1.737 116.227 114.554 -0.108 0.000 2.737 236 T HA -0.070 4.280 4.350 -0.000 0.000 0.265 236 T C 1.864 176.583 174.700 0.032 0.000 1.038 236 T CA 1.016 63.181 62.100 0.109 0.000 1.144 236 T CB -0.103 68.913 68.868 0.246 0.000 0.866 236 T HN 0.130 nan 8.240 nan 0.000 0.434 237 I N 0.878 121.451 120.570 0.004 0.000 2.179 237 I HA -0.162 4.008 4.170 -0.000 0.000 0.242 237 I C 2.628 178.719 176.117 -0.043 0.000 1.088 237 I CA 1.414 62.716 61.300 0.003 0.000 1.357 237 I CB -0.435 37.567 38.000 0.002 0.000 1.051 237 I HN 0.310 nan 8.210 nan 0.000 0.409 238 E N 0.935 121.069 120.200 -0.110 0.000 2.097 238 E HA -0.241 4.109 4.350 -0.000 0.000 0.196 238 E C 1.238 177.746 176.600 -0.152 0.000 1.000 238 E CA 1.557 57.875 56.400 -0.136 0.000 0.804 238 E CB -0.192 29.399 29.700 -0.183 0.000 0.740 238 E HN 0.490 nan 8.360 nan 0.000 0.454 239 N N -0.607 117.946 118.700 -0.245 0.000 2.370 239 N HA 0.100 4.840 4.740 -0.000 0.000 0.198 239 N C 0.081 175.620 175.510 0.049 0.000 1.156 239 N CA 0.580 53.511 53.050 -0.198 0.000 0.839 239 N CB 1.051 39.246 38.487 -0.486 0.000 0.989 239 N HN 0.197 nan 8.380 nan 0.000 0.468 240 G N 0.472 109.317 108.800 0.075 0.000 2.323 240 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.292 240 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.292 240 G C -0.175 174.904 174.900 0.298 0.000 1.040 240 G CA 0.133 45.320 45.100 0.144 0.000 0.942 240 G HN 0.440 nan 8.290 nan 0.000 0.506 241 Y N -0.028 120.310 120.300 0.063 0.000 2.720 241 Y HA 0.284 4.834 4.550 0.000 0.000 0.268 241 Y C 1.398 177.351 175.900 0.088 0.000 1.142 241 Y CA -1.014 57.158 58.100 0.119 0.000 1.193 241 Y CB 0.370 39.000 38.460 0.283 0.000 1.176 241 Y HN 0.276 nan 8.280 nan 0.000 0.542 242 K N 0.010 120.486 120.400 0.127 0.000 2.491 242 K HA 0.169 4.489 4.320 -0.000 0.000 0.279 242 K C 1.264 177.872 176.600 0.015 0.000 1.026 242 K CA 1.218 57.547 56.287 0.070 0.000 1.070 242 K CB -0.000 32.527 32.500 0.046 0.000 0.887 242 K HN 0.562 nan 8.250 nan 0.000 0.481 243 G N 3.007 111.815 108.800 0.012 0.000 2.184 243 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.264 243 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.264 243 G C 0.582 175.448 174.900 -0.057 0.000 0.975 243 G CA 0.278 45.361 45.100 -0.027 0.000 0.642 243 G HN 0.699 nan 8.290 nan 0.000 0.536 244 R N -0.630 119.839 120.500 -0.051 0.000 2.468 244 R HA 0.422 4.762 4.340 -0.000 0.000 0.280 244 R C -0.060 176.248 176.300 0.014 0.000 0.963 244 R CA 0.216 56.255 56.100 -0.102 0.000 1.083 244 R CB 1.153 31.225 30.300 -0.380 0.000 1.200 244 R HN 0.299 nan 8.270 nan 0.000 0.541 245 V N 0.593 120.523 119.914 0.026 0.000 2.656 245 V HA 0.368 4.488 4.120 -0.000 0.000 0.307 245 V C -0.156 175.878 176.094 -0.100 0.000 1.051 245 V CA -0.700 61.605 62.300 0.009 0.000 0.893 245 V CB 2.220 34.091 31.823 0.080 0.000 0.999 245 V HN -0.001 nan 8.190 nan 0.000 0.426 246 T N 2.299 116.784 114.554 -0.114 0.000 2.863 246 T HA 0.506 4.856 4.350 -0.000 0.000 0.285 246 T C -0.264 174.325 174.700 -0.184 0.000 1.009 246 T CA -0.405 61.583 62.100 -0.188 0.000 0.989 246 T CB 1.740 70.529 68.868 -0.132 0.000 1.004 246 T HN 0.657 nan 8.240 nan 0.000 0.455 247 T N 2.754 117.123 114.554 -0.307 0.000 2.772 247 T HA 0.449 4.799 4.350 -0.000 0.000 0.288 247 T C 0.003 174.603 174.700 -0.167 0.000 0.994 247 T CA -0.427 61.550 62.100 -0.207 0.000 0.951 247 T CB 0.895 69.617 68.868 -0.243 0.000 0.933 247 T HN 0.467 nan 8.240 nan 0.000 0.447 248 S N 3.457 118.994 115.700 -0.271 0.000 2.554 248 S HA 0.424 4.894 4.470 -0.000 0.000 0.278 248 S C 0.494 174.708 174.600 -0.644 0.000 1.242 248 S CA -0.466 57.420 58.200 -0.523 0.000 1.051 248 S CB 0.410 63.145 63.200 -0.775 0.000 0.986 248 S HN 0.926 nan 8.310 nan 0.000 0.502 249 H N 1.317 120.103 119.070 -0.473 0.000 4.750 249 H HA -0.308 4.248 4.556 0.000 0.000 0.061 249 H C 0.972 176.072 175.328 -0.379 0.000 0.613 249 H CA 1.110 56.814 56.048 -0.573 0.000 0.921 249 H CB -1.706 27.327 29.762 -1.216 0.000 0.422 249 H HN 1.316 nan 8.280 nan 0.000 0.809 250 A N 0.636 123.267 122.820 -0.315 0.000 2.704 250 A HA -0.244 4.076 4.320 -0.000 0.000 0.299 250 A C 1.169 178.625 177.584 -0.213 0.000 1.507 250 A CA 1.559 53.361 52.037 -0.392 0.000 0.776 250 A CB -2.347 16.350 19.000 -0.505 0.000 1.027 250 A HN 0.536 nan 8.150 nan 0.000 0.475 251 W N -0.833 120.384 121.300 -0.139 0.000 2.364 251 W HA -0.241 4.419 4.660 -0.000 0.000 0.281 251 W C 2.594 179.064 176.519 -0.081 0.000 1.219 251 W CA 0.783 58.083 57.345 -0.074 0.000 1.220 251 W CB -1.969 27.469 29.460 -0.037 0.000 1.127 251 W HN 1.243 nan 8.180 nan 0.000 0.556 252 C N -1.388 117.951 119.300 0.065 0.000 2.403 252 C HA -0.219 4.241 4.460 -0.000 0.000 0.282 252 C C 2.365 177.418 174.990 0.105 0.000 1.297 252 C CA 0.218 59.251 59.018 0.024 0.000 1.785 252 C CB -2.005 25.700 27.740 -0.058 0.000 1.963 252 C HN 0.073 nan 8.230 nan 0.000 0.507 253 F N 2.332 122.335 119.950 0.087 0.000 2.451 253 F HA 0.145 4.672 4.527 -0.000 0.000 0.299 253 F C 2.600 178.427 175.800 0.044 0.000 1.101 253 F CA 0.555 58.587 58.000 0.053 0.000 1.436 253 F CB -1.151 37.845 39.000 -0.007 0.000 1.074 253 F HN 0.357 nan 8.300 nan 0.000 0.553 254 A N 0.023 122.976 122.820 0.221 0.000 2.016 254 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 254 A C 1.783 179.416 177.584 0.081 0.000 1.162 254 A CA 1.616 53.729 52.037 0.127 0.000 0.662 254 A CB -0.407 18.645 19.000 0.086 0.000 0.812 254 A HN 0.392 nan 8.150 nan 0.000 0.450 255 D N -1.109 119.338 120.400 0.077 0.000 2.479 255 D HA 0.338 4.978 4.640 -0.000 0.000 0.216 255 D C 0.722 177.026 176.300 0.006 0.000 1.110 255 D CA 0.554 54.574 54.000 0.032 0.000 0.841 255 D CB -0.520 40.289 40.800 0.016 0.000 1.040 255 D HN 0.264 nan 8.370 nan 0.000 0.505 256 A N 1.498 124.332 122.820 0.023 0.000 2.386 256 A HA 0.493 4.813 4.320 -0.000 0.000 0.248 256 A C -2.286 175.287 177.584 -0.018 0.000 1.082 256 A CA -0.902 51.096 52.037 -0.065 0.000 0.789 256 A CB -0.306 18.684 19.000 -0.017 0.000 1.025 256 A HN -0.013 nan 8.150 nan 0.000 0.490 257 P HA 0.010 nan 4.420 nan 0.000 0.265 257 P C 0.979 178.375 177.300 0.159 0.000 1.187 257 P CA 0.663 63.795 63.100 0.052 0.000 0.766 257 P CB 0.656 32.414 31.700 0.097 0.000 0.820 258 S N 1.473 117.246 115.700 0.121 0.000 2.419 258 S HA -0.213 4.257 4.470 -0.000 0.000 0.235 258 S C 1.361 176.041 174.600 0.133 0.000 1.019 258 S CA 1.243 59.506 58.200 0.106 0.000 0.982 258 S CB -0.734 62.502 63.200 0.060 0.000 0.789 258 S HN 0.378 nan 8.310 nan 0.000 0.490 259 E N 0.876 121.185 120.200 0.182 0.000 2.153 259 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 259 E C 1.351 178.058 176.600 0.177 0.000 0.988 259 E CA 1.170 57.663 56.400 0.156 0.000 0.811 259 E CB -0.465 29.334 29.700 0.166 0.000 0.746 259 E HN 0.742 nan 8.360 nan 0.000 0.466 260 W N 0.057 121.376 121.300 0.032 0.000 2.388 260 W HA -0.005 4.655 4.660 -0.000 0.000 0.294 260 W C 2.005 178.544 176.519 0.034 0.000 1.212 260 W CA 0.474 57.852 57.345 0.055 0.000 1.271 260 W CB -0.703 28.822 29.460 0.107 0.000 1.126 260 W HN 0.134 nan 8.180 nan 0.000 0.535 261 L N 0.398 121.761 121.223 0.235 0.000 2.109 261 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 261 L C 1.712 178.544 176.870 -0.063 0.000 1.086 261 L CA 2.044 56.904 54.840 0.034 0.000 0.760 261 L CB -1.011 40.992 42.059 -0.092 0.000 0.910 261 L HN -0.177 nan 8.230 nan 0.000 0.437 262 D N 0.086 120.470 120.400 -0.027 0.000 2.117 262 D HA -0.229 4.411 4.640 -0.000 0.000 0.197 262 D C 1.933 178.179 176.300 -0.091 0.000 0.987 262 D CA 1.702 55.668 54.000 -0.057 0.000 0.829 262 D CB -0.009 40.775 40.800 -0.026 0.000 0.961 262 D HN 0.738 nan 8.370 nan 0.000 0.460 263 E N 0.331 120.472 120.200 -0.099 0.000 2.435 263 E HA 0.107 4.457 4.350 -0.000 0.000 0.195 263 E C 1.676 178.159 176.600 -0.196 0.000 1.029 263 E CA 0.694 57.011 56.400 -0.138 0.000 0.865 263 E CB 0.104 29.708 29.700 -0.160 0.000 0.833 263 E HN 0.130 nan 8.360 nan 0.000 0.510 264 A N 1.097 123.763 122.820 -0.257 0.000 2.095 264 A HA 0.185 4.505 4.320 -0.000 0.000 0.212 264 A C 2.071 179.166 177.584 -0.815 0.000 1.162 264 A CA -0.019 51.707 52.037 -0.519 0.000 0.753 264 A CB -0.319 18.381 19.000 -0.500 0.000 0.840 264 A HN 0.230 nan 8.150 nan 0.000 0.468 265 I N 0.398 120.693 120.570 -0.458 0.000 2.194 265 I HA -0.209 3.961 4.170 -0.000 0.000 0.246 265 I C -0.656 175.375 176.117 -0.144 0.000 1.093 265 I CA 1.586 62.744 61.300 -0.236 0.000 1.355 265 I CB -0.866 37.076 38.000 -0.096 0.000 1.046 265 I HN 0.205 nan 8.210 nan 0.000 0.413 266 P HA -0.183 nan 4.420 nan 0.000 0.216 266 P C 1.739 179.003 177.300 -0.060 0.000 1.150 266 P CA 1.106 64.162 63.100 -0.073 0.000 0.837 266 P CB 0.021 31.676 31.700 -0.076 0.000 0.786 267 L N -2.013 119.128 121.223 -0.138 0.000 2.156 267 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 267 L C 1.948 178.875 176.870 0.096 0.000 1.095 267 L CA 1.896 56.696 54.840 -0.066 0.000 0.770 267 L CB -1.366 40.618 42.059 -0.126 0.000 0.914 267 L HN -0.070 nan 8.230 nan 0.000 0.439 268 Y N 0.380 120.739 120.300 0.099 0.000 2.263 268 Y HA -0.095 4.455 4.550 -0.000 0.000 0.292 268 Y C 2.467 178.427 175.900 0.100 0.000 1.130 268 Y CA 1.000 59.186 58.100 0.145 0.000 1.179 268 Y CB -0.906 37.715 38.460 0.268 0.000 0.998 268 Y HN 0.243 nan 8.280 nan 0.000 0.532 269 K N -0.171 120.359 120.400 0.217 0.000 2.057 269 K HA -0.182 4.138 4.320 -0.000 0.000 0.206 269 K C 1.705 178.360 176.600 0.092 0.000 1.050 269 K CA 1.626 57.992 56.287 0.132 0.000 0.935 269 K CB -0.258 32.292 32.500 0.083 0.000 0.715 269 K HN 0.181 nan 8.250 nan 0.000 0.439 270 D N 0.520 120.966 120.400 0.076 0.000 2.178 270 D HA -0.109 4.531 4.640 -0.000 0.000 0.202 270 D C 1.733 178.071 176.300 0.063 0.000 0.974 270 D CA 1.328 55.360 54.000 0.053 0.000 0.841 270 D CB 0.140 40.960 40.800 0.033 0.000 0.953 270 D HN 0.154 nan 8.370 nan 0.000 0.478 271 S N -1.536 114.220 115.700 0.094 0.000 2.548 271 S HA 0.241 4.711 4.470 -0.000 0.000 0.215 271 S C 1.752 176.398 174.600 0.076 0.000 0.976 271 S CA 0.443 58.698 58.200 0.092 0.000 0.908 271 S CB 0.108 63.380 63.200 0.121 0.000 0.781 271 S HN 0.407 nan 8.310 nan 0.000 0.519 272 G N 1.429 110.274 108.800 0.076 0.000 2.198 272 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.260 272 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.260 272 G C -0.076 174.829 174.900 0.008 0.000 1.025 272 G CA 0.429 45.556 45.100 0.046 0.000 0.769 272 G HN 0.641 nan 8.290 nan 0.000 0.507 273 M N 0.481 120.083 119.600 0.003 0.000 2.251 273 M HA 0.453 4.933 4.480 -0.000 0.000 0.343 273 M C 0.591 176.712 176.300 -0.300 0.000 1.245 273 M CA 0.583 55.768 55.300 -0.192 0.000 1.061 273 M CB 0.193 32.616 32.600 -0.294 0.000 1.723 273 M HN 0.255 nan 8.290 nan 0.000 0.449 274 K N 4.133 124.284 120.400 -0.415 0.000 2.203 274 K HA 0.653 4.973 4.320 -0.000 0.000 0.251 274 K C -1.426 174.848 176.600 -0.544 0.000 0.944 274 K CA -0.499 55.607 56.287 -0.301 0.000 0.829 274 K CB 1.529 33.936 32.500 -0.155 0.000 1.125 274 K HN 0.513 nan 8.250 nan 0.000 0.430 275 F N 0.113 120.034 119.950 -0.048 0.000 2.593 275 F HA 0.541 5.068 4.527 -0.000 0.000 0.320 275 F C -0.492 175.265 175.800 -0.071 0.000 1.060 275 F CA -1.045 56.918 58.000 -0.061 0.000 0.940 275 F CB 1.952 40.948 39.000 -0.008 0.000 1.268 275 F HN 0.019 nan 8.300 nan 0.000 0.475 276 V N 0.814 120.782 119.914 0.089 0.000 2.623 276 V HA 0.498 4.618 4.120 -0.000 0.000 0.304 276 V C -0.687 175.362 176.094 -0.075 0.000 1.054 276 V CA -0.666 61.622 62.300 -0.020 0.000 0.882 276 V CB 1.985 33.753 31.823 -0.092 0.000 1.002 276 V HN 0.800 nan 8.190 nan 0.000 0.424 277 T N 4.039 118.583 114.554 -0.016 0.000 2.797 277 T HA 0.456 4.806 4.350 -0.000 0.000 0.279 277 T C -0.436 174.264 174.700 0.000 0.000 0.991 277 T CA -0.190 61.923 62.100 0.021 0.000 0.979 277 T CB 0.560 69.483 68.868 0.090 0.000 0.943 277 T HN 0.789 nan 8.240 nan 0.000 0.444 278 C N 6.345 125.647 119.300 0.003 0.000 2.307 278 C HA 0.365 4.825 4.460 -0.000 0.000 0.340 278 C C 1.738 176.714 174.990 -0.025 0.000 1.275 278 C CA -0.968 57.999 59.018 -0.086 0.000 1.811 278 C CB -1.259 26.404 27.740 -0.128 0.000 2.372 278 C HN 0.995 nan 8.230 nan 0.000 0.531 279 F N 1.477 121.429 119.950 0.003 0.000 2.641 279 F HA -0.020 4.507 4.527 -0.000 0.000 0.298 279 F C 1.759 177.526 175.800 -0.054 0.000 1.146 279 F CA 0.788 58.769 58.000 -0.031 0.000 1.464 279 F CB -0.982 37.982 39.000 -0.059 0.000 1.101 279 F HN 0.524 nan 8.300 nan 0.000 0.585 280 S N -0.913 114.659 115.700 -0.213 0.000 2.575 280 S HA 0.150 4.620 4.470 -0.000 0.000 0.215 280 S C 1.098 175.664 174.600 -0.057 0.000 0.966 280 S CA 0.222 58.345 58.200 -0.129 0.000 0.911 280 S CB -0.625 62.467 63.200 -0.180 0.000 0.780 280 S HN 0.514 nan 8.310 nan 0.000 0.514 281 S N -1.299 114.396 115.700 -0.008 0.000 2.702 281 S HA 0.152 4.622 4.470 -0.000 0.000 0.257 281 S C 0.038 174.603 174.600 -0.058 0.000 0.981 281 S CA -0.332 57.843 58.200 -0.042 0.000 1.414 281 S CB -0.582 62.671 63.200 0.088 0.000 1.239 281 S HN 0.211 nan 8.310 nan 0.000 0.676 282 T N 5.642 120.223 114.554 0.046 0.000 2.778 282 T HA 0.215 4.565 4.350 -0.000 0.000 0.282 282 T C -2.658 172.018 174.700 -0.041 0.000 0.983 282 T CA 0.193 62.329 62.100 0.060 0.000 1.193 282 T CB 0.105 69.022 68.868 0.082 0.000 0.938 282 T HN 0.251 nan 8.240 nan 0.000 0.523 283 P HA 0.150 nan 4.420 nan 0.000 0.268 283 P C -1.825 175.450 177.300 -0.043 0.000 1.204 283 P CA -1.456 61.581 63.100 -0.106 0.000 0.768 283 P CB 0.344 31.985 31.700 -0.098 0.000 0.842 284 P HA -0.170 nan 4.420 nan 0.000 0.217 284 P C 1.040 178.332 177.300 -0.013 0.000 1.148 284 P CA 1.815 64.896 63.100 -0.033 0.000 0.828 284 P CB -0.357 31.319 31.700 -0.041 0.000 0.783 285 T N -5.578 108.971 114.554 -0.008 0.000 3.144 285 T HA 0.238 4.588 4.350 -0.000 0.000 0.249 285 T C 0.585 175.305 174.700 0.033 0.000 1.089 285 T CA -0.264 61.842 62.100 0.009 0.000 0.989 285 T CB -0.806 68.067 68.868 0.009 0.000 0.992 285 T HN -0.154 nan 8.240 nan 0.000 0.540 286 M N 4.521 124.146 119.600 0.041 0.000 2.252 286 M HA 0.212 4.692 4.480 -0.000 0.000 0.348 286 M C -2.128 174.205 176.300 0.055 0.000 1.334 286 M CA -2.248 53.099 55.300 0.078 0.000 1.071 286 M CB 0.666 33.322 32.600 0.093 0.000 1.763 286 M HN -0.136 nan 8.290 nan 0.000 0.452 287 P HA 0.016 nan 4.420 nan 0.000 0.225 287 P C 0.543 177.841 177.300 -0.003 0.000 1.768 287 P CA 0.019 63.125 63.100 0.010 0.000 0.943 287 P CB -0.267 31.421 31.700 -0.020 0.000 1.936 288 V N 1.315 121.239 119.914 0.017 0.000 2.233 288 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 288 V C 2.530 178.629 176.094 0.008 0.000 1.050 288 V CA 1.680 63.991 62.300 0.017 0.000 1.010 288 V CB -0.726 31.115 31.823 0.031 0.000 0.637 288 V HN 0.209 nan 8.190 nan 0.000 0.444 289 I N 0.089 120.663 120.570 0.008 0.000 2.286 289 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 289 I C 2.433 178.549 176.117 -0.001 0.000 1.115 289 I CA 1.748 63.053 61.300 0.007 0.000 1.392 289 I CB -1.262 36.742 38.000 0.006 0.000 1.065 289 I HN 0.423 nan 8.210 nan 0.000 0.418 290 K N 1.202 121.595 120.400 -0.012 0.000 2.057 290 K HA -0.169 4.151 4.320 -0.000 0.000 0.207 290 K C 2.267 178.847 176.600 -0.034 0.000 1.049 290 K CA 1.281 57.554 56.287 -0.024 0.000 0.931 290 K CB -0.069 32.411 32.500 -0.034 0.000 0.714 290 K HN 0.239 nan 8.250 nan 0.000 0.440 291 L N 0.920 122.114 121.223 -0.049 0.000 2.046 291 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 291 L C 2.437 179.303 176.870 -0.007 0.000 1.077 291 L CA 0.979 55.785 54.840 -0.057 0.000 0.747 291 L CB -0.356 41.645 42.059 -0.097 0.000 0.896 291 L HN 0.224 nan 8.230 nan 0.000 0.432 292 L N -0.751 120.476 121.223 0.007 0.000 2.046 292 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 292 L C 2.692 179.575 176.870 0.022 0.000 1.077 292 L CA 1.015 55.869 54.840 0.024 0.000 0.747 292 L CB -0.558 41.519 42.059 0.030 0.000 0.896 292 L HN 0.272 nan 8.230 nan 0.000 0.432 293 E N 0.382 120.590 120.200 0.013 0.000 2.150 293 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 293 E C 2.137 178.744 176.600 0.011 0.000 0.985 293 E CA 1.246 57.653 56.400 0.012 0.000 0.814 293 E CB -0.095 29.608 29.700 0.006 0.000 0.752 293 E HN 0.459 nan 8.360 nan 0.000 0.466 294 A N 0.130 122.954 122.820 0.007 0.000 2.206 294 A HA 0.225 4.545 4.320 -0.000 0.000 0.211 294 A C 1.709 179.308 177.584 0.026 0.000 1.158 294 A CA 1.097 53.140 52.037 0.009 0.000 0.761 294 A CB -0.229 18.769 19.000 -0.003 0.000 0.801 294 A HN 0.290 nan 8.150 nan 0.000 0.473 295 G N -1.175 107.644 108.800 0.033 0.000 2.141 295 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.242 295 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.242 295 G C 0.005 174.945 174.900 0.066 0.000 0.982 295 G CA 0.097 45.223 45.100 0.044 0.000 0.662 295 G HN 0.294 nan 8.290 nan 0.000 0.527 296 I N 1.054 121.671 120.570 0.079 0.000 2.474 296 I HA 0.179 4.349 4.170 -0.000 0.000 0.287 296 I C 0.664 176.858 176.117 0.129 0.000 1.048 296 I CA -0.962 60.419 61.300 0.135 0.000 1.383 296 I CB 1.009 39.095 38.000 0.144 0.000 1.412 296 I HN 0.203 nan 8.210 nan 0.000 0.531 297 N N 6.423 125.212 118.700 0.149 0.000 2.402 297 N HA 0.225 4.965 4.740 -0.000 0.000 0.252 297 N C -1.188 174.416 175.510 0.157 0.000 1.118 297 N CA -0.153 52.959 53.050 0.105 0.000 0.945 297 N CB 0.246 38.765 38.487 0.052 0.000 1.147 297 N HN 0.447 nan 8.380 nan 0.000 0.495 298 L N 3.612 124.905 121.223 0.116 0.000 2.372 298 L HA 0.742 5.082 4.340 -0.000 0.000 0.273 298 L C 0.321 177.230 176.870 0.064 0.000 0.989 298 L CA -0.477 54.439 54.840 0.126 0.000 0.841 298 L CB 1.320 43.441 42.059 0.103 0.000 1.225 298 L HN 0.543 nan 8.230 nan 0.000 0.414 299 G N 2.699 111.527 108.800 0.047 0.000 2.557 299 G HA2 0.578 4.538 3.960 -0.000 0.000 0.302 299 G HA3 0.578 4.538 3.960 -0.000 0.000 0.302 299 G C -1.196 173.720 174.900 0.026 0.000 1.311 299 G CA -0.386 44.722 45.100 0.013 0.000 1.030 299 G HN 0.754 nan 8.290 nan 0.000 0.509 300 C N -1.604 117.713 119.300 0.029 0.000 2.994 300 C HA 0.958 5.418 4.460 -0.000 0.000 0.304 300 C C -0.004 175.030 174.990 0.074 0.000 1.273 300 C CA 0.565 59.621 59.018 0.064 0.000 1.537 300 C CB 0.866 28.663 27.740 0.096 0.000 2.001 300 C HN 1.364 nan 8.230 nan 0.000 0.471 301 A N 1.915 124.777 122.820 0.069 0.000 2.586 301 A HA 0.648 4.968 4.320 -0.000 0.000 0.290 301 A C 0.289 177.680 177.584 -0.321 0.000 1.086 301 A CA 0.163 52.200 52.037 0.001 0.000 0.665 301 A CB 0.546 19.540 19.000 -0.010 0.000 1.279 301 A HN 0.843 nan 8.150 nan 0.000 0.423 302 S N -0.082 115.435 115.700 -0.305 0.000 2.425 302 S HA 0.129 4.599 4.470 -0.000 0.000 0.225 302 S C 0.701 175.065 174.600 -0.393 0.000 1.024 302 S CA 1.087 58.906 58.200 -0.636 0.000 0.951 302 S CB -0.384 62.729 63.200 -0.145 0.000 0.796 302 S HN 1.025 nan 8.310 nan 0.000 0.498 303 D N 0.791 121.130 120.400 -0.102 0.000 3.439 303 D HA -0.192 4.448 4.640 -0.000 0.000 0.238 303 D C -0.593 175.805 176.300 0.164 0.000 1.727 303 D CA 0.897 54.960 54.000 0.106 0.000 1.145 303 D CB -1.190 39.639 40.800 0.049 0.000 0.764 303 D HN 0.269 nan 8.370 nan 0.000 0.938 304 N N 0.191 119.029 118.700 0.230 0.000 2.345 304 N HA 0.159 4.899 4.740 -0.000 0.000 0.243 304 N C -0.137 175.389 175.510 0.026 0.000 1.246 304 N CA 0.682 53.826 53.050 0.157 0.000 0.863 304 N CB 0.180 38.743 38.487 0.126 0.000 1.096 304 N HN 0.269 nan 8.380 nan 0.000 0.446 305 I N 1.837 122.376 120.570 -0.051 0.000 2.468 305 I HA 0.173 4.343 4.170 -0.000 0.000 0.284 305 I C -0.010 175.883 176.117 -0.374 0.000 1.038 305 I CA -0.527 60.640 61.300 -0.223 0.000 1.083 305 I CB 1.294 39.084 38.000 -0.350 0.000 1.223 305 I HN 0.474 nan 8.210 nan 0.000 0.443 306 R N 3.231 123.563 120.500 -0.280 0.000 3.127 306 R HA -0.216 4.124 4.340 -0.000 0.000 0.247 306 R C -0.860 175.351 176.300 -0.148 0.000 0.896 306 R CA 0.626 56.589 56.100 -0.227 0.000 0.624 306 R CB -1.641 28.467 30.300 -0.321 0.000 1.154 306 R HN 0.830 nan 8.270 nan 0.000 0.474 307 D N -0.385 119.964 120.400 -0.085 0.000 2.989 307 D HA 0.197 4.837 4.640 -0.000 0.000 0.284 307 D C 0.627 176.878 176.300 -0.080 0.000 1.212 307 D CA -0.900 52.958 54.000 -0.237 0.000 1.055 307 D CB -0.419 39.972 40.800 -0.682 0.000 1.351 307 D HN -0.006 nan 8.370 nan 0.000 0.611 308 F N -2.412 117.329 119.950 -0.348 0.000 2.811 308 F HA 0.406 4.934 4.527 0.000 0.000 0.301 308 F C 1.117 176.644 175.800 -0.455 0.000 1.151 308 F CA -0.857 56.694 58.000 -0.748 0.000 1.412 308 F CB -0.542 37.550 39.000 -1.512 0.000 1.113 308 F HN 0.171 nan 8.300 nan 0.000 0.579 309 W N -0.522 120.825 121.300 0.077 0.000 2.777 309 W HA 0.440 5.100 4.660 -0.000 0.000 0.260 309 W C -0.393 176.301 176.519 0.292 0.000 1.194 309 W CA 0.134 57.620 57.345 0.235 0.000 1.447 309 W CB 0.680 30.163 29.460 0.038 0.000 1.009 309 W HN -0.375 nan 8.180 nan 0.000 0.613 310 V N 2.105 122.245 119.914 0.376 0.000 2.567 310 V HA 0.174 4.294 4.120 -0.000 0.000 0.298 310 V C -1.636 174.395 176.094 -0.106 0.000 1.047 310 V CA -1.330 61.006 62.300 0.061 0.000 0.880 310 V CB 2.574 34.445 31.823 0.081 0.000 1.009 310 V HN -0.233 nan 8.190 nan 0.000 0.429 311 P HA 0.032 nan 4.420 nan 0.000 0.227 311 P C 0.470 177.434 177.300 -0.560 0.000 1.161 311 P CA 0.532 63.232 63.100 -0.666 0.000 0.788 311 P CB 0.315 31.175 31.700 -1.401 0.000 0.822 312 F N 1.189 120.992 119.950 -0.246 0.000 2.390 312 F HA 0.537 5.064 4.527 -0.000 0.000 0.307 312 F C 1.515 177.234 175.800 -0.135 0.000 1.227 312 F CA 0.930 58.835 58.000 -0.159 0.000 1.179 312 F CB -0.107 38.816 39.000 -0.128 0.000 1.280 312 F HN 0.013 nan 8.300 nan 0.000 0.548 313 G N 1.068 109.951 108.800 0.138 0.000 2.873 313 G HA2 0.031 3.991 3.960 -0.000 0.000 0.507 313 G HA3 0.031 3.991 3.960 -0.000 0.000 0.507 313 G C -1.002 173.897 174.900 -0.001 0.000 1.440 313 G CA -0.926 44.190 45.100 0.026 0.000 1.016 313 G HN 0.683 nan 8.290 nan 0.000 0.615 314 N N -0.066 118.644 118.700 0.016 0.000 2.118 314 N HA 0.395 5.135 4.740 -0.000 0.000 0.226 314 N C 1.569 177.057 175.510 -0.036 0.000 1.305 314 N CA 0.606 53.655 53.050 -0.001 0.000 0.890 314 N CB 1.164 39.602 38.487 -0.082 0.000 1.118 314 N HN 1.870 nan 8.380 nan 0.000 0.511 315 G N 1.392 110.189 108.800 -0.005 0.000 2.225 315 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.267 315 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.267 315 G C -0.596 174.319 174.900 0.025 0.000 1.024 315 G CA 0.523 45.648 45.100 0.042 0.000 0.784 315 G HN 0.376 nan 8.290 nan 0.000 0.507 316 D N 0.044 120.338 120.400 -0.176 0.000 2.443 316 D HA 0.468 5.108 4.640 -0.000 0.000 0.221 316 D C 1.760 177.910 176.300 -0.248 0.000 1.097 316 D CA -0.834 52.965 54.000 -0.334 0.000 0.865 316 D CB 0.354 40.751 40.800 -0.672 0.000 1.034 316 D HN -0.043 nan 8.370 nan 0.000 0.511 317 M N 2.846 122.318 119.600 -0.213 0.000 2.374 317 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 317 M C 1.715 177.673 176.300 -0.571 0.000 1.067 317 M CA 0.584 55.681 55.300 -0.339 0.000 1.103 317 M CB -0.368 32.054 32.600 -0.297 0.000 1.402 317 M HN 0.277 nan 8.290 nan 0.000 0.444 318 V N -0.253 119.314 119.914 -0.579 0.000 2.591 318 V HA -0.211 3.909 4.120 -0.000 0.000 0.249 318 V C 2.396 178.308 176.094 -0.303 0.000 1.053 318 V CA 1.433 63.483 62.300 -0.417 0.000 1.068 318 V CB -0.698 30.991 31.823 -0.224 0.000 0.689 318 V HN 0.512 nan 8.190 nan 0.000 0.462 319 Q N 0.427 120.013 119.800 -0.357 0.000 2.083 319 Q HA -0.105 4.235 4.340 -0.000 0.000 0.198 319 Q C 2.253 177.904 176.000 -0.581 0.000 0.969 319 Q CA 1.724 57.315 55.803 -0.353 0.000 0.838 319 Q CB -0.384 28.166 28.738 -0.314 0.000 0.900 319 Q HN 0.611 nan 8.270 nan 0.000 0.436 320 G N 0.383 108.576 108.800 -1.011 0.000 2.422 320 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 320 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 320 G C 1.434 175.877 174.900 -0.762 0.000 1.146 320 G CA 0.859 44.871 45.100 -1.814 0.000 0.769 320 G HN 0.487 nan 8.290 nan 0.000 0.547 321 A N 0.484 123.025 122.820 -0.464 0.000 1.902 321 A HA 0.055 4.375 4.320 -0.000 0.000 0.217 321 A C 2.344 179.837 177.584 -0.153 0.000 1.181 321 A CA 1.692 53.599 52.037 -0.216 0.000 0.623 321 A CB -0.443 18.486 19.000 -0.118 0.000 0.818 321 A HN 0.478 nan 8.150 nan 0.000 0.443 322 L N -0.040 121.080 121.223 -0.172 0.000 2.046 322 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 322 L C 2.180 178.970 176.870 -0.132 0.000 1.077 322 L CA 1.708 56.477 54.840 -0.118 0.000 0.747 322 L CB -0.449 41.545 42.059 -0.107 0.000 0.896 322 L HN 0.426 nan 8.230 nan 0.000 0.432 323 I N -0.488 119.961 120.570 -0.201 0.000 2.286 323 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 323 I C 2.378 178.441 176.117 -0.090 0.000 1.115 323 I CA 1.009 62.215 61.300 -0.157 0.000 1.392 323 I CB -0.379 37.509 38.000 -0.186 0.000 1.065 323 I HN 0.324 nan 8.210 nan 0.000 0.418 324 E N 0.391 120.541 120.200 -0.083 0.000 2.106 324 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 324 E C 2.295 178.878 176.600 -0.028 0.000 0.984 324 E CA 2.009 58.394 56.400 -0.024 0.000 0.806 324 E CB -0.505 29.193 29.700 -0.004 0.000 0.750 324 E HN 0.589 nan 8.360 nan 0.000 0.458 325 T N -0.482 114.048 114.554 -0.040 0.000 2.833 325 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 325 T C 1.717 176.395 174.700 -0.037 0.000 1.054 325 T CA 0.845 62.925 62.100 -0.032 0.000 1.135 325 T CB 0.058 68.906 68.868 -0.035 0.000 0.869 325 T HN -0.053 nan 8.240 nan 0.000 0.466 326 Q N 1.122 120.894 119.800 -0.048 0.000 2.123 326 Q HA 0.160 4.500 4.340 -0.000 0.000 0.196 326 Q C 2.616 178.588 176.000 -0.046 0.000 0.958 326 Q CA 0.997 56.771 55.803 -0.049 0.000 0.841 326 Q CB -0.296 28.405 28.738 -0.061 0.000 0.915 326 Q HN 0.634 nan 8.270 nan 0.000 0.455 327 R N 0.272 120.744 120.500 -0.046 0.000 2.092 327 R HA 0.019 4.359 4.340 -0.000 0.000 0.231 327 R C 2.130 178.413 176.300 -0.029 0.000 1.119 327 R CA 0.865 56.940 56.100 -0.042 0.000 0.970 327 R CB -0.167 30.110 30.300 -0.037 0.000 0.864 327 R HN 0.168 nan 8.270 nan 0.000 0.440 328 L N 0.314 121.525 121.223 -0.020 0.000 2.567 328 L HA 0.105 4.445 4.340 -0.000 0.000 0.225 328 L C 0.048 176.909 176.870 -0.016 0.000 1.119 328 L CA -0.151 54.682 54.840 -0.012 0.000 0.871 328 L CB -0.019 42.039 42.059 -0.002 0.000 1.036 328 L HN 0.097 nan 8.230 nan 0.000 0.459 329 E N 1.259 121.446 120.200 -0.022 0.000 2.246 329 E HA -0.198 4.152 4.350 -0.000 0.000 0.211 329 E C -0.877 175.710 176.600 -0.021 0.000 1.278 329 E CA 0.369 56.755 56.400 -0.023 0.000 0.694 329 E CB -1.339 28.349 29.700 -0.021 0.000 1.166 329 E HN 0.349 nan 8.360 nan 0.000 0.370 330 L N 0.508 121.717 121.223 -0.023 0.000 2.344 330 L HA 0.523 4.863 4.340 -0.000 0.000 0.272 330 L C 1.496 178.346 176.870 -0.033 0.000 1.035 330 L CA -0.697 54.130 54.840 -0.023 0.000 0.807 330 L CB 1.650 43.700 42.059 -0.016 0.000 1.237 330 L HN 0.120 nan 8.230 nan 0.000 0.442 331 K N -0.734 119.643 120.400 -0.038 0.000 2.711 331 K HA 0.091 4.411 4.320 -0.000 0.000 0.197 331 K C 0.367 176.925 176.600 -0.069 0.000 1.535 331 K CA 0.101 56.356 56.287 -0.054 0.000 1.170 331 K CB 0.849 33.320 32.500 -0.048 0.000 1.596 331 K HN 0.814 nan 8.250 nan 0.000 0.584 332 T N -0.340 114.181 114.554 -0.055 0.000 2.903 332 T HA 0.040 4.390 4.350 -0.000 0.000 0.314 332 T C 0.762 175.419 174.700 -0.072 0.000 1.078 332 T CA 0.184 62.248 62.100 -0.060 0.000 1.114 332 T CB 0.689 69.534 68.868 -0.039 0.000 0.987 332 T HN 0.119 nan 8.240 nan 0.000 0.548 333 N N 0.271 118.918 118.700 -0.087 0.000 2.223 333 N HA -0.110 4.630 4.740 -0.000 0.000 0.185 333 N C 2.189 177.668 175.510 -0.051 0.000 1.016 333 N CA 0.683 53.675 53.050 -0.098 0.000 0.863 333 N CB -0.120 38.303 38.487 -0.108 0.000 0.983 333 N HN 0.602 nan 8.380 nan 0.000 0.429 334 R N 1.222 121.704 120.500 -0.030 0.000 2.066 334 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 334 R C 0.945 177.249 176.300 0.007 0.000 1.131 334 R CA 1.637 57.734 56.100 -0.005 0.000 0.955 334 R CB -0.039 30.260 30.300 -0.002 0.000 0.851 334 R HN 0.146 nan 8.270 nan 0.000 0.432 335 D N 0.637 121.036 120.400 -0.003 0.000 2.117 335 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 335 D C 1.905 178.217 176.300 0.021 0.000 0.987 335 D CA 0.990 54.995 54.000 0.008 0.000 0.829 335 D CB -0.147 40.650 40.800 -0.005 0.000 0.961 335 D HN 0.156 nan 8.370 nan 0.000 0.460 336 L N 0.508 121.734 121.223 0.004 0.000 2.141 336 L HA 0.014 4.354 4.340 -0.000 0.000 0.209 336 L C 2.455 179.378 176.870 0.088 0.000 1.094 336 L CA 1.388 56.244 54.840 0.026 0.000 0.763 336 L CB -0.909 41.132 42.059 -0.031 0.000 0.908 336 L HN 0.064 nan 8.230 nan 0.000 0.437 337 G N -0.923 107.913 108.800 0.060 0.000 2.408 337 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 337 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 337 G C 1.646 176.644 174.900 0.164 0.000 1.150 337 G CA 0.585 45.748 45.100 0.106 0.000 0.776 337 G HN 0.326 nan 8.290 nan 0.000 0.542 338 L N 0.464 121.753 121.223 0.109 0.000 2.093 338 L HA -0.019 4.321 4.340 -0.000 0.000 0.208 338 L C 2.706 179.645 176.870 0.115 0.000 1.085 338 L CA 0.317 55.218 54.840 0.101 0.000 0.755 338 L CB -0.305 41.791 42.059 0.062 0.000 0.904 338 L HN 0.109 nan 8.230 nan 0.000 0.435 339 I N -0.930 119.709 120.570 0.116 0.000 2.394 339 I HA -0.318 3.852 4.170 -0.000 0.000 0.251 339 I C 2.279 178.479 176.117 0.138 0.000 1.136 339 I CA 1.478 62.837 61.300 0.099 0.000 1.425 339 I CB -1.104 36.942 38.000 0.076 0.000 1.079 339 I HN 0.579 nan 8.210 nan 0.000 0.425 340 W N 2.504 123.822 121.300 0.031 0.000 2.388 340 W HA -0.185 4.475 4.660 -0.000 0.000 0.294 340 W C 2.186 178.768 176.519 0.104 0.000 1.212 340 W CA 0.968 58.355 57.345 0.069 0.000 1.271 340 W CB 0.049 29.560 29.460 0.084 0.000 1.126 340 W HN 0.072 nan 8.180 nan 0.000 0.535 341 K N 0.278 120.820 120.400 0.237 0.000 2.057 341 K HA -0.222 4.098 4.320 -0.000 0.000 0.207 341 K C 2.026 178.653 176.600 0.045 0.000 1.049 341 K CA 1.534 57.909 56.287 0.146 0.000 0.931 341 K CB -0.995 31.587 32.500 0.136 0.000 0.714 341 K HN 0.300 nan 8.250 nan 0.000 0.440 342 M N 1.143 120.764 119.600 0.036 0.000 2.108 342 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 342 M C 1.877 178.159 176.300 -0.031 0.000 1.066 342 M CA 1.582 56.886 55.300 0.008 0.000 1.107 342 M CB -0.124 32.491 32.600 0.025 0.000 1.356 342 M HN 0.157 nan 8.290 nan 0.000 0.406 343 I N -2.512 118.005 120.570 -0.089 0.000 3.684 343 I HA 0.065 4.235 4.170 -0.000 0.000 0.304 343 I C 0.939 177.032 176.117 -0.039 0.000 1.278 343 I CA 0.554 61.787 61.300 -0.112 0.000 1.272 343 I CB -0.529 37.300 38.000 -0.284 0.000 1.029 343 I HN 0.287 nan 8.210 nan 0.000 0.458 344 T N -1.770 112.757 114.554 -0.045 0.000 2.964 344 T HA 0.166 4.516 4.350 -0.000 0.000 0.161 344 T C 1.687 176.312 174.700 -0.126 0.000 0.859 344 T CA 0.638 62.776 62.100 0.064 0.000 1.015 344 T CB -0.521 68.445 68.868 0.165 0.000 2.138 344 T HN 0.286 nan 8.240 nan 0.000 0.367 345 S N 1.863 117.573 115.700 0.017 0.000 2.383 345 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 345 S C 1.903 176.394 174.600 -0.181 0.000 1.030 345 S CA 1.171 59.305 58.200 -0.110 0.000 1.002 345 S CB -0.822 62.438 63.200 0.099 0.000 0.829 345 S HN 0.473 nan 8.310 nan 0.000 0.467 346 E N 1.750 121.897 120.200 -0.088 0.000 2.077 346 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 346 E C 2.336 178.863 176.600 -0.122 0.000 0.989 346 E CA 1.277 57.635 56.400 -0.071 0.000 0.800 346 E CB -1.096 28.595 29.700 -0.016 0.000 0.746 346 E HN 0.676 nan 8.360 nan 0.000 0.452 347 G N 1.050 109.755 108.800 -0.158 0.000 2.408 347 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 347 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 347 G C 1.746 176.478 174.900 -0.281 0.000 1.150 347 G CA 1.167 46.166 45.100 -0.168 0.000 0.776 347 G HN 0.387 nan 8.290 nan 0.000 0.542 348 A N 0.898 123.416 122.820 -0.502 0.000 1.902 348 A HA -0.017 4.303 4.320 -0.000 0.000 0.217 348 A C 2.442 179.824 177.584 -0.338 0.000 1.181 348 A CA 1.634 53.288 52.037 -0.639 0.000 0.623 348 A CB -0.377 17.925 19.000 -1.165 0.000 0.818 348 A HN 0.359 nan 8.150 nan 0.000 0.443 349 R N -0.787 119.568 120.500 -0.242 0.000 2.075 349 R HA -0.059 4.281 4.340 -0.000 0.000 0.232 349 R C 2.014 178.241 176.300 -0.121 0.000 1.126 349 R CA 1.323 57.338 56.100 -0.142 0.000 0.963 349 R CB -0.547 29.699 30.300 -0.090 0.000 0.858 349 R HN 0.378 nan 8.270 nan 0.000 0.435 350 V N 1.113 120.955 119.914 -0.120 0.000 2.332 350 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 350 V C 1.887 177.915 176.094 -0.110 0.000 1.055 350 V CA 1.521 63.761 62.300 -0.100 0.000 1.038 350 V CB -0.295 31.478 31.823 -0.083 0.000 0.651 350 V HN 0.205 nan 8.190 nan 0.000 0.450 351 L N 0.397 121.540 121.223 -0.134 0.000 2.552 351 L HA 0.275 4.615 4.340 -0.000 0.000 0.227 351 L C 1.771 178.573 176.870 -0.113 0.000 1.146 351 L CA 1.440 56.206 54.840 -0.122 0.000 0.858 351 L CB -0.895 41.084 42.059 -0.133 0.000 0.969 351 L HN 0.503 nan 8.230 nan 0.000 0.451 352 G N 0.404 109.132 108.800 -0.119 0.000 2.176 352 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.252 352 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.252 352 G C 0.798 175.643 174.900 -0.091 0.000 1.024 352 G CA 0.541 45.584 45.100 -0.096 0.000 0.755 352 G HN 0.549 nan 8.290 nan 0.000 0.507 353 I N -2.373 118.120 120.570 -0.127 0.000 3.936 353 I HA 0.338 4.508 4.170 -0.000 0.000 0.330 353 I C 1.839 177.907 176.117 -0.082 0.000 1.509 353 I CA 0.340 61.578 61.300 -0.103 0.000 1.126 353 I CB 0.119 38.035 38.000 -0.141 0.000 1.115 353 I HN 0.138 nan 8.210 nan 0.000 0.424 354 E N 2.823 122.971 120.200 -0.087 0.000 2.160 354 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 354 E C 1.275 177.892 176.600 0.029 0.000 0.991 354 E CA 1.341 57.723 56.400 -0.031 0.000 0.810 354 E CB -0.438 29.235 29.700 -0.045 0.000 0.742 354 E HN 0.638 nan 8.360 nan 0.000 0.466 355 K N 0.371 120.776 120.400 0.008 0.000 2.147 355 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 355 K C 1.579 178.195 176.600 0.027 0.000 1.049 355 K CA 1.245 57.541 56.287 0.014 0.000 0.936 355 K CB -0.057 32.445 32.500 0.003 0.000 0.722 355 K HN 0.131 nan 8.250 nan 0.000 0.446 356 N N -0.493 118.230 118.700 0.039 0.000 2.236 356 N HA -0.017 4.723 4.740 -0.000 0.000 0.196 356 N C -0.790 174.761 175.510 0.069 0.000 1.114 356 N CA 0.044 53.122 53.050 0.046 0.000 0.859 356 N CB 0.501 39.018 38.487 0.050 0.000 0.982 356 N HN 0.117 nan 8.380 nan 0.000 0.493 357 Y N 0.986 121.243 120.300 -0.071 0.000 2.342 357 Y HA 0.523 5.074 4.550 0.000 0.000 0.334 357 Y C 0.485 176.352 175.900 -0.055 0.000 1.067 357 Y CA 0.098 58.142 58.100 -0.094 0.000 1.128 357 Y CB 1.153 39.500 38.460 -0.189 0.000 1.200 357 Y HN 0.163 nan 8.280 nan 0.000 0.464 358 G N 5.020 113.494 108.800 -0.544 0.000 2.402 358 G HA2 -0.012 3.947 3.960 -0.000 0.000 0.666 358 G HA3 -0.012 3.947 3.960 -0.000 0.000 0.666 358 G C -1.855 172.903 174.900 -0.236 0.000 1.402 358 G CA -1.001 43.901 45.100 -0.329 0.000 0.920 358 G HN 0.532 nan 8.290 nan 0.000 0.651 359 I N 1.746 122.206 120.570 -0.184 0.000 2.270 359 I HA 0.441 4.611 4.170 -0.000 0.000 0.300 359 I C 0.450 176.491 176.117 -0.127 0.000 1.186 359 I CA 0.265 61.478 61.300 -0.145 0.000 1.431 359 I CB 0.056 37.981 38.000 -0.125 0.000 1.485 359 I HN 0.627 nan 8.210 nan 0.000 0.650 360 E N 3.594 123.728 120.200 -0.110 0.000 2.392 360 E HA 0.382 4.732 4.350 -0.000 0.000 0.279 360 E C -1.141 175.416 176.600 -0.073 0.000 0.964 360 E CA -0.620 55.722 56.400 -0.097 0.000 0.777 360 E CB 2.203 31.857 29.700 -0.076 0.000 1.249 360 E HN 0.054 nan 8.360 nan 0.000 0.449 361 V N 3.485 123.359 119.914 -0.067 0.000 2.584 361 V HA 0.315 4.435 4.120 -0.000 0.000 0.303 361 V C 1.602 177.683 176.094 -0.022 0.000 1.035 361 V CA 1.940 64.217 62.300 -0.038 0.000 1.172 361 V CB 0.178 31.984 31.823 -0.029 0.000 0.896 361 V HN 1.007 nan 8.190 nan 0.000 0.486 362 G N 3.925 112.720 108.800 -0.009 0.000 2.234 362 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.235 362 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.235 362 G C 0.258 175.157 174.900 -0.003 0.000 0.997 362 G CA 0.146 45.245 45.100 -0.001 0.000 0.623 362 G HN 0.607 nan 8.290 nan 0.000 0.514 363 K N 0.576 120.967 120.400 -0.015 0.000 2.109 363 K HA 0.506 4.826 4.320 -0.000 0.000 0.243 363 K C 0.355 176.948 176.600 -0.011 0.000 1.006 363 K CA -0.906 55.372 56.287 -0.015 0.000 0.917 363 K CB 0.671 33.149 32.500 -0.036 0.000 1.081 363 K HN -0.079 nan 8.250 nan 0.000 0.468 364 K N 1.032 121.435 120.400 0.005 0.000 2.524 364 K HA -0.053 4.267 4.320 -0.000 0.000 0.279 364 K C -0.098 176.497 176.600 -0.007 0.000 0.993 364 K CA 0.178 56.477 56.287 0.020 0.000 1.030 364 K CB 0.633 33.176 32.500 0.072 0.000 0.891 364 K HN 0.734 nan 8.250 nan 0.000 0.488 365 A N 4.235 127.052 122.820 -0.006 0.000 3.063 365 A HA 0.062 4.382 4.320 -0.000 0.000 0.263 365 A C -0.663 176.903 177.584 -0.030 0.000 1.736 365 A CA -0.247 51.776 52.037 -0.024 0.000 1.408 365 A CB -0.324 18.668 19.000 -0.015 0.000 1.108 365 A HN 0.429 nan 8.150 nan 0.000 0.621 366 D N 1.327 121.707 120.400 -0.034 0.000 2.460 366 D HA 0.575 5.215 4.640 -0.000 0.000 0.232 366 D C -0.609 175.643 176.300 -0.081 0.000 1.079 366 D CA 0.177 54.150 54.000 -0.045 0.000 0.864 366 D CB 1.292 42.104 40.800 0.019 0.000 1.048 366 D HN 0.237 nan 8.370 nan 0.000 0.523 367 L N 0.716 121.887 121.223 -0.087 0.000 2.359 367 L HA 0.666 5.006 4.340 -0.000 0.000 0.256 367 L C -0.469 176.343 176.870 -0.097 0.000 1.026 367 L CA -1.199 53.579 54.840 -0.103 0.000 0.828 367 L CB 1.846 43.859 42.059 -0.077 0.000 1.406 367 L HN -0.047 nan 8.230 nan 0.000 0.413 368 V N 0.987 120.837 119.914 -0.107 0.000 2.577 368 V HA 0.539 4.659 4.120 -0.000 0.000 0.303 368 V C -0.695 175.408 176.094 0.015 0.000 1.042 368 V CA -0.726 61.536 62.300 -0.062 0.000 0.872 368 V CB 2.139 33.870 31.823 -0.155 0.000 0.998 368 V HN 0.446 nan 8.190 nan 0.000 0.423 369 V N 6.447 126.388 119.914 0.044 0.000 2.364 369 V HA 0.429 4.549 4.120 -0.000 0.000 0.272 369 V C -0.060 176.100 176.094 0.109 0.000 1.036 369 V CA -0.305 62.036 62.300 0.067 0.000 0.880 369 V CB 1.114 32.962 31.823 0.043 0.000 0.991 369 V HN 0.600 nan 8.190 nan 0.000 0.460 370 L N 3.759 125.071 121.223 0.148 0.000 2.431 370 L HA 0.473 4.813 4.340 -0.000 0.000 0.260 370 L C 0.937 177.878 176.870 0.119 0.000 1.098 370 L CA -0.046 54.900 54.840 0.176 0.000 0.800 370 L CB 0.517 42.730 42.059 0.256 0.000 1.210 370 L HN 0.524 nan 8.230 nan 0.000 0.465 371 N N -0.664 118.101 118.700 0.109 0.000 2.376 371 N HA 0.208 4.948 4.740 -0.000 0.000 0.249 371 N C -1.226 174.314 175.510 0.049 0.000 1.140 371 N CA 0.063 53.151 53.050 0.064 0.000 0.870 371 N CB 0.263 38.782 38.487 0.054 0.000 1.124 371 N HN 0.590 nan 8.380 nan 0.000 0.505 372 S N -0.986 114.756 115.700 0.070 0.000 2.595 372 S HA 0.376 4.846 4.470 -0.000 0.000 0.281 372 S C 1.022 175.653 174.600 0.051 0.000 1.117 372 S CA -0.702 57.531 58.200 0.055 0.000 0.873 372 S CB 1.546 64.813 63.200 0.111 0.000 1.108 372 S HN 0.091 nan 8.310 nan 0.000 0.477 373 L N 1.214 122.450 121.223 0.022 0.000 2.217 373 L HA 0.103 4.443 4.340 -0.000 0.000 0.211 373 L C 0.975 177.869 176.870 0.040 0.000 1.107 373 L CA 0.611 55.450 54.840 -0.002 0.000 0.783 373 L CB -0.229 41.789 42.059 -0.069 0.000 0.919 373 L HN 0.793 nan 8.230 nan 0.000 0.442 374 S N -4.044 111.721 115.700 0.109 0.000 2.636 374 S HA 0.367 4.837 4.470 -0.000 0.000 0.268 374 S C -2.511 171.964 174.600 -0.210 0.000 1.159 374 S CA -1.063 57.159 58.200 0.038 0.000 0.815 374 S CB 1.358 64.576 63.200 0.030 0.000 1.130 374 S HN -0.340 nan 8.310 nan 0.000 0.471 375 P HA -0.099 nan 4.420 nan 0.000 0.215 375 P C 1.269 178.264 177.300 -0.508 0.000 1.157 375 P CA 1.605 64.021 63.100 -1.140 0.000 0.874 375 P CB -0.030 30.962 31.700 -1.181 0.000 0.790 376 Q N -1.652 117.963 119.800 -0.308 0.000 2.030 376 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 376 Q C 2.126 177.993 176.000 -0.222 0.000 0.986 376 Q CA 1.858 57.498 55.803 -0.271 0.000 0.843 376 Q CB -1.260 27.243 28.738 -0.392 0.000 0.904 376 Q HN 0.382 nan 8.270 nan 0.000 0.420 377 W N 0.095 121.327 121.300 -0.112 0.000 2.374 377 W HA -0.111 4.549 4.660 -0.000 0.000 0.288 377 W C 2.332 178.819 176.519 -0.054 0.000 1.218 377 W CA 0.614 57.913 57.345 -0.076 0.000 1.245 377 W CB -0.150 29.262 29.460 -0.081 0.000 1.126 377 W HN 0.197 nan 8.180 nan 0.000 0.545 378 A N 0.301 123.203 122.820 0.136 0.000 1.898 378 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 378 A C 1.799 179.481 177.584 0.163 0.000 1.181 378 A CA 1.487 53.605 52.037 0.136 0.000 0.620 378 A CB -0.861 18.188 19.000 0.081 0.000 0.819 378 A HN 0.278 nan 8.150 nan 0.000 0.442 379 I N -0.466 120.184 120.570 0.134 0.000 2.179 379 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 379 I C 2.306 178.464 176.117 0.068 0.000 1.088 379 I CA 1.408 62.778 61.300 0.116 0.000 1.357 379 I CB -0.329 37.729 38.000 0.096 0.000 1.051 379 I HN 0.299 nan 8.210 nan 0.000 0.409 380 I N 0.458 121.073 120.570 0.075 0.000 2.202 380 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 380 I C 2.074 178.277 176.117 0.144 0.000 1.091 380 I CA 1.341 62.700 61.300 0.100 0.000 1.368 380 I CB -0.425 37.650 38.000 0.124 0.000 1.058 380 I HN 0.189 nan 8.210 nan 0.000 0.410 381 D N 0.277 120.791 120.400 0.191 0.000 2.117 381 D HA -0.152 4.488 4.640 -0.000 0.000 0.198 381 D C 0.991 177.344 176.300 0.089 0.000 0.982 381 D CA 0.811 54.894 54.000 0.138 0.000 0.828 381 D CB -0.124 40.753 40.800 0.129 0.000 0.967 381 D HN 0.177 nan 8.370 nan 0.000 0.464 382 Q N -1.227 118.626 119.800 0.088 0.000 2.481 382 Q HA -0.187 4.153 4.340 -0.000 0.000 0.272 382 Q C -0.348 175.698 176.000 0.076 0.000 1.157 382 Q CA 0.782 56.623 55.803 0.063 0.000 0.935 382 Q CB -2.291 26.466 28.738 0.031 0.000 1.338 382 Q HN 0.373 nan 8.270 nan 0.000 0.494 383 A N 0.729 123.605 122.820 0.093 0.000 2.407 383 A HA 0.342 4.662 4.320 -0.000 0.000 0.248 383 A C 0.667 178.318 177.584 0.113 0.000 1.082 383 A CA -0.118 51.971 52.037 0.087 0.000 0.785 383 A CB 0.514 19.559 19.000 0.074 0.000 1.020 383 A HN 0.195 nan 8.150 nan 0.000 0.489 384 K N 1.339 121.799 120.400 0.100 0.000 2.380 384 K HA 0.114 4.434 4.320 -0.000 0.000 0.267 384 K C -0.080 176.593 176.600 0.123 0.000 0.990 384 K CA -0.297 56.059 56.287 0.115 0.000 0.946 384 K CB 0.298 32.847 32.500 0.081 0.000 0.937 384 K HN 0.569 nan 8.250 nan 0.000 0.491 385 R N 2.193 122.777 120.500 0.139 0.000 2.543 385 R HA 0.047 4.387 4.340 -0.000 0.000 0.277 385 R C 1.274 177.626 176.300 0.086 0.000 1.074 385 R CA 0.081 56.267 56.100 0.143 0.000 1.076 385 R CB 0.015 30.408 30.300 0.155 0.000 0.993 385 R HN 0.628 nan 8.270 nan 0.000 0.459 386 L N 0.163 121.433 121.223 0.079 0.000 2.298 386 L HA 0.168 4.508 4.340 -0.000 0.000 0.209 386 L C 0.837 177.728 176.870 0.035 0.000 1.084 386 L CA 0.507 55.377 54.840 0.049 0.000 0.816 386 L CB 0.265 42.351 42.059 0.046 0.000 0.967 386 L HN 0.507 nan 8.230 nan 0.000 0.460 387 C N -0.412 118.912 119.300 0.039 0.000 3.181 387 C HA 0.601 5.061 4.460 -0.000 0.000 0.362 387 C C -1.021 173.979 174.990 0.016 0.000 1.125 387 C CA -0.673 58.357 59.018 0.020 0.000 1.265 387 C CB 1.461 29.209 27.740 0.013 0.000 1.632 387 C HN -0.069 nan 8.230 nan 0.000 0.525 388 V N 6.107 126.022 119.914 0.000 0.000 2.588 388 V HA 0.605 4.725 4.120 -0.000 0.000 0.304 388 V C -0.406 175.671 176.094 -0.027 0.000 1.042 388 V CA -0.292 62.001 62.300 -0.013 0.000 0.877 388 V CB 1.728 33.546 31.823 -0.008 0.000 0.996 388 V HN 0.732 nan 8.190 nan 0.000 0.425 389 I N 4.388 124.934 120.570 -0.040 0.000 2.436 389 I HA 0.558 4.728 4.170 -0.000 0.000 0.289 389 I C -0.368 175.715 176.117 -0.056 0.000 1.010 389 I CA -0.561 60.714 61.300 -0.041 0.000 1.098 389 I CB 1.958 39.937 38.000 -0.036 0.000 1.266 389 I HN 0.482 nan 8.210 nan 0.000 0.434 390 K N 5.771 126.141 120.400 -0.051 0.000 2.471 390 K HA 0.350 4.670 4.320 -0.000 0.000 0.252 390 K C -0.497 176.082 176.600 -0.035 0.000 0.938 390 K CA -0.489 55.761 56.287 -0.061 0.000 0.796 390 K CB 1.045 33.498 32.500 -0.079 0.000 1.161 390 K HN 0.634 nan 8.250 nan 0.000 0.425 391 N N 2.504 121.189 118.700 -0.024 0.000 2.740 391 N HA -0.206 4.534 4.740 -0.000 0.000 0.248 391 N C 0.483 175.991 175.510 -0.003 0.000 1.062 391 N CA 1.476 54.522 53.050 -0.006 0.000 0.704 391 N CB -1.272 37.213 38.487 -0.003 0.000 0.968 391 N HN 1.107 nan 8.380 nan 0.000 0.547 392 G N -1.138 107.658 108.800 -0.007 0.000 2.189 392 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.267 392 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.267 392 G C 0.154 175.052 174.900 -0.003 0.000 0.975 392 G CA 0.873 45.972 45.100 -0.002 0.000 0.644 392 G HN 0.603 nan 8.290 nan 0.000 0.537 393 R N -0.526 119.968 120.500 -0.009 0.000 2.589 393 R HA 0.647 4.987 4.340 -0.000 0.000 0.293 393 R C 0.250 176.540 176.300 -0.016 0.000 0.963 393 R CA -0.979 55.115 56.100 -0.009 0.000 0.905 393 R CB 1.448 31.743 30.300 -0.009 0.000 1.144 393 R HN 0.213 nan 8.270 nan 0.000 0.459 394 I N 4.899 125.461 120.570 -0.014 0.000 2.379 394 I HA 0.053 4.223 4.170 -0.000 0.000 0.290 394 I C 1.459 177.562 176.117 -0.022 0.000 1.063 394 I CA 0.262 61.552 61.300 -0.017 0.000 1.351 394 I CB 0.620 38.613 38.000 -0.012 0.000 1.410 394 I HN 0.708 nan 8.210 nan 0.000 0.505 395 I N 3.877 124.430 120.570 -0.029 0.000 4.035 395 I HA 0.288 4.458 4.170 -0.000 0.000 0.321 395 I C -0.039 176.052 176.117 -0.044 0.000 1.289 395 I CA 0.089 61.367 61.300 -0.037 0.000 1.236 395 I CB 0.648 38.623 38.000 -0.041 0.000 1.076 395 I HN 0.173 nan 8.210 nan 0.000 0.418 396 V N 1.971 121.865 119.914 -0.034 0.000 2.623 396 V HA 0.440 4.560 4.120 -0.000 0.000 0.304 396 V C -0.713 175.368 176.094 -0.021 0.000 1.054 396 V CA -0.585 61.694 62.300 -0.034 0.000 0.882 396 V CB 2.048 33.853 31.823 -0.031 0.000 1.002 396 V HN 0.206 nan 8.190 nan 0.000 0.424 397 K N 3.254 123.641 120.400 -0.021 0.000 2.613 397 K HA 0.364 4.684 4.320 -0.000 0.000 0.248 397 K C -1.188 175.406 176.600 -0.010 0.000 0.959 397 K CA -0.453 55.828 56.287 -0.011 0.000 0.855 397 K CB 0.971 33.464 32.500 -0.011 0.000 1.143 397 K HN 0.790 nan 8.250 nan 0.000 0.437 398 D N 4.308 124.707 120.400 -0.002 0.000 3.133 398 D HA -0.167 4.473 4.640 -0.000 0.000 0.239 398 D C -0.159 176.137 176.300 -0.008 0.000 1.136 398 D CA 1.213 55.214 54.000 0.001 0.000 0.898 398 D CB -0.277 40.524 40.800 0.001 0.000 0.959 398 D HN 0.968 nan 8.370 nan 0.000 0.415 399 E N -1.311 118.881 120.200 -0.013 0.000 2.604 399 E HA -0.297 4.053 4.350 -0.000 0.000 0.255 399 E C -1.058 175.518 176.600 -0.040 0.000 1.164 399 E CA 1.019 57.399 56.400 -0.033 0.000 0.737 399 E CB -0.611 29.080 29.700 -0.015 0.000 1.317 399 E HN 0.321 nan 8.360 nan 0.000 0.417 400 V N 1.245 121.135 119.914 -0.040 0.000 2.777 400 V HA 0.389 4.509 4.120 -0.000 0.000 0.306 400 V C -0.137 175.920 176.094 -0.060 0.000 1.112 400 V CA -0.783 61.489 62.300 -0.046 0.000 0.917 400 V CB 1.743 33.547 31.823 -0.031 0.000 1.018 400 V HN 0.205 nan 8.190 nan 0.000 0.426 401 I N 7.133 127.650 120.570 -0.089 0.000 2.505 401 I HA 0.116 4.286 4.170 -0.000 0.000 0.287 401 I C 1.071 177.134 176.117 -0.090 0.000 1.104 401 I CA 0.254 61.484 61.300 -0.117 0.000 1.387 401 I CB 1.329 39.196 38.000 -0.223 0.000 1.404 401 I HN 0.502 nan 8.210 nan 0.000 0.528 402 V N 6.791 126.664 119.914 -0.067 0.000 2.295 402 V HA -0.005 4.115 4.120 -0.000 0.000 0.212 402 V C 1.052 177.117 176.094 -0.049 0.000 1.025 402 V CA 1.240 63.512 62.300 -0.047 0.000 1.060 402 V CB -0.393 31.410 31.823 -0.033 0.000 0.674 402 V HN 0.858 nan 8.190 nan 0.000 0.470 403 A N 0.000 122.796 122.820 -0.040 0.000 2.254 403 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 403 A CA 0.000 52.018 52.037 -0.032 0.000 0.836 403 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 403 A HN 0.000 nan 8.150 nan 0.000 0.486