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 2wnz_1_A DATA FIRST_RESID -4 DATA SEQUENCE HHHHHHATNL RGVMAALLTP FDQQQALDKA SLRRLVQFNI QQGIDGLYVG DATA SEQUENCE GSTGEAFVQS LSEREQVLEI VAEEAKGKIK LIAHVGCVST AESQQLAASA DATA SEQUENCE KRYGFDAVSA VTPFYYPFSF EEHCDHYRAI IDSADGLPMV VYNIPALSGV DATA SEQUENCE KLTLDQINTL VTLPGVGALX QTSGDLYQME QIRREHPDLV LYNGYDNIFA DATA SEQUENCE SGLLAGADGG IGSTYNIMGW RYQGIVKALK EGDIQTAQKL QTECNKVIDL DATA SEQUENCE LIKTGVFRGL KTVLHYMDVV SVPLCRKPFG PVDEKYLPEL KALAQQLMQE DATA SEQUENCE RG 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 -4 H HA 0.000 nan 4.556 nan 0.000 0.296 -4 H C 0.000 175.102 175.328 -0.377 0.000 0.993 -4 H CA 0.000 55.828 56.048 -0.367 0.000 1.023 -4 H CB 0.000 29.429 29.762 -0.556 0.000 1.292 -3 H N 1.533 120.552 119.070 -0.085 0.000 2.421 -3 H HA -0.095 4.461 4.556 -0.000 0.000 0.298 -3 H C 1.400 176.327 175.328 -0.669 0.000 1.087 -3 H CA 1.185 57.077 56.048 -0.260 0.000 1.330 -3 H CB 0.465 30.055 29.762 -0.288 0.000 1.388 -3 H HN 0.609 nan 8.280 nan 0.000 0.526 -2 H N 0.100 119.069 119.070 -0.167 0.000 2.422 -2 H HA -0.099 4.456 4.556 -0.001 0.000 0.298 -2 H C 2.031 177.379 175.328 0.034 0.000 1.098 -2 H CA 1.093 57.110 56.048 -0.053 0.000 1.315 -2 H CB -0.145 29.643 29.762 0.043 0.000 1.382 -2 H HN 0.675 nan 8.280 nan 0.000 0.523 -1 H N -0.656 118.394 119.070 -0.033 0.000 2.363 -1 H HA -0.077 4.478 4.556 -0.001 0.000 0.301 -1 H C 2.236 177.485 175.328 -0.133 0.000 1.074 -1 H CA 0.397 56.378 56.048 -0.111 0.000 1.354 -1 H CB 0.254 29.902 29.762 -0.190 0.000 1.397 -1 H HN 0.414 nan 8.280 nan 0.000 0.516 0 H N 0.472 119.559 119.070 0.029 0.000 2.352 0 H HA -0.117 4.438 4.556 -0.001 0.000 0.299 0 H C 1.861 177.263 175.328 0.124 0.000 1.097 0 H CA 1.526 57.588 56.048 0.023 0.000 1.311 0 H CB -0.396 29.348 29.762 -0.029 0.000 1.377 0 H HN 0.668 nan 8.280 nan 0.000 0.504 1 H N -0.321 118.896 119.070 0.244 0.000 2.524 1 H HA 0.131 4.687 4.556 -0.000 0.000 0.282 1 H C 1.814 177.231 175.328 0.148 0.000 1.016 1 H CA 0.335 56.487 56.048 0.173 0.000 1.270 1 H CB 0.387 30.240 29.762 0.152 0.000 1.394 1 H HN 0.288 nan 8.280 nan 0.000 0.568 2 A N 0.367 123.330 122.820 0.238 0.000 2.345 2 A HA 0.027 4.347 4.320 -0.001 0.000 0.225 2 A C 1.919 179.573 177.584 0.117 0.000 1.243 2 A CA 0.122 52.260 52.037 0.168 0.000 0.875 2 A CB -0.339 18.746 19.000 0.141 0.000 0.929 2 A HN 0.224 nan 8.150 nan 0.000 0.502 3 T N 2.384 117.011 114.554 0.122 0.000 2.721 3 T HA -0.217 4.133 4.350 -0.001 0.000 0.268 3 T C 1.903 176.652 174.700 0.082 0.000 1.038 3 T CA 1.785 63.938 62.100 0.089 0.000 1.145 3 T CB -0.461 68.475 68.868 0.113 0.000 0.858 3 T HN 0.876 nan 8.240 nan 0.000 0.459 4 N N 1.800 120.560 118.700 0.100 0.000 2.520 4 N HA -0.067 4.673 4.740 -0.001 0.000 0.185 4 N C 1.461 177.035 175.510 0.107 0.000 1.068 4 N CA 0.696 53.802 53.050 0.094 0.000 0.911 4 N CB -0.617 37.924 38.487 0.090 0.000 0.961 4 N HN 0.412 nan 8.380 nan 0.000 0.446 5 L N -0.346 120.949 121.223 0.121 0.000 2.558 5 L HA 0.156 4.496 4.340 -0.001 0.000 0.225 5 L C 1.333 178.320 176.870 0.195 0.000 1.128 5 L CA -0.297 54.650 54.840 0.178 0.000 0.868 5 L CB -0.191 41.998 42.059 0.216 0.000 1.006 5 L HN 0.081 nan 8.230 nan 0.000 0.454 6 R N 1.265 121.818 120.500 0.088 0.000 2.538 6 R HA 0.343 4.682 4.340 -0.001 0.000 0.282 6 R C 0.070 176.458 176.300 0.148 0.000 1.009 6 R CA 0.985 57.113 56.100 0.047 0.000 1.063 6 R CB 0.323 30.625 30.300 0.005 0.000 0.945 6 R HN 0.201 nan 8.270 nan 0.000 0.414 7 G N 1.431 110.364 108.800 0.222 0.000 2.352 7 G HA2 0.080 4.040 3.960 -0.001 0.000 0.283 7 G HA3 0.080 4.040 3.960 -0.001 0.000 0.283 7 G C -1.760 173.330 174.900 0.317 0.000 1.308 7 G CA -0.674 44.565 45.100 0.233 0.000 0.892 7 G HN 0.472 nan 8.290 nan 0.000 0.504 8 V N 2.066 122.117 119.914 0.229 0.000 2.328 8 V HA 0.607 4.727 4.120 -0.001 0.000 0.278 8 V C 0.140 176.347 176.094 0.188 0.000 1.021 8 V CA -0.259 62.164 62.300 0.206 0.000 0.838 8 V CB 0.982 32.819 31.823 0.025 0.000 0.999 8 V HN 0.600 nan 8.190 nan 0.000 0.447 9 M N 4.249 123.987 119.600 0.230 0.000 2.243 9 M HA 0.616 5.096 4.480 -0.001 0.000 0.324 9 M C -0.004 176.359 176.300 0.104 0.000 1.031 9 M CA -0.485 54.882 55.300 0.112 0.000 0.949 9 M CB 1.871 34.443 32.600 -0.046 0.000 1.615 9 M HN 0.560 nan 8.290 nan 0.000 0.430 10 A N 2.677 125.567 122.820 0.117 0.000 2.450 10 A HA 0.622 4.942 4.320 -0.001 0.000 0.255 10 A C 0.512 178.030 177.584 -0.110 0.000 1.096 10 A CA -0.412 51.621 52.037 -0.006 0.000 0.778 10 A CB 0.176 19.223 19.000 0.078 0.000 1.031 10 A HN 0.947 nan 8.150 nan 0.000 0.494 11 A N 3.086 125.753 122.820 -0.256 0.000 2.457 11 A HA 0.457 4.776 4.320 -0.001 0.000 0.298 11 A C 0.117 177.627 177.584 -0.123 0.000 1.288 11 A CA -0.324 51.617 52.037 -0.160 0.000 0.956 11 A CB -0.618 18.218 19.000 -0.272 0.000 1.135 11 A HN 1.105 nan 8.150 nan 0.000 0.535 12 L N 3.427 124.609 121.223 -0.068 0.000 2.499 12 L HA 0.230 4.570 4.340 -0.001 0.000 0.273 12 L C 0.036 176.814 176.870 -0.154 0.000 1.195 12 L CA 0.405 55.195 54.840 -0.083 0.000 0.882 12 L CB 0.201 42.230 42.059 -0.050 0.000 1.133 12 L HN 0.612 nan 8.230 nan 0.000 0.483 13 L N 4.040 125.161 121.223 -0.170 0.000 2.436 13 L HA 0.282 4.622 4.340 -0.001 0.000 0.265 13 L C 0.482 177.195 176.870 -0.262 0.000 1.168 13 L CA -0.093 54.600 54.840 -0.244 0.000 0.815 13 L CB 0.509 42.444 42.059 -0.207 0.000 1.109 13 L HN 0.591 nan 8.230 nan 0.000 0.462 14 T N 2.609 116.942 114.554 -0.367 0.000 2.781 14 T HA 0.315 4.664 4.350 -0.001 0.000 0.305 14 T C -2.405 171.814 174.700 -0.803 0.000 1.001 14 T CA -1.282 60.513 62.100 -0.508 0.000 0.950 14 T CB 0.869 69.423 68.868 -0.523 0.000 0.955 14 T HN 0.264 nan 8.240 nan 0.000 0.471 15 P HA 0.301 nan 4.420 nan 0.000 0.268 15 P C -0.846 176.093 177.300 -0.601 0.000 1.205 15 P CA -0.210 62.617 63.100 -0.455 0.000 0.771 15 P CB 0.331 31.897 31.700 -0.224 0.000 0.858 16 F N 0.680 120.616 119.950 -0.024 0.000 2.577 16 F HA 0.346 4.872 4.527 -0.001 0.000 0.318 16 F C 0.831 176.627 175.800 -0.008 0.000 1.065 16 F CA -0.759 57.233 58.000 -0.013 0.000 0.929 16 F CB 0.838 39.836 39.000 -0.004 0.000 1.237 16 F HN 0.263 nan 8.300 nan 0.000 0.468 17 D N -0.267 120.258 120.400 0.208 0.000 2.478 17 D HA 0.112 4.752 4.640 -0.001 0.000 0.274 17 D C 0.807 177.163 176.300 0.094 0.000 1.234 17 D CA -0.303 53.764 54.000 0.111 0.000 1.069 17 D CB 0.419 41.264 40.800 0.076 0.000 1.113 17 D HN 0.314 nan 8.370 nan 0.000 0.571 18 Q N -1.288 118.547 119.800 0.058 0.000 2.291 18 Q HA -0.120 4.220 4.340 -0.001 0.000 0.206 18 Q C 1.058 177.075 176.000 0.028 0.000 0.976 18 Q CA 1.324 57.151 55.803 0.040 0.000 0.875 18 Q CB -0.085 28.671 28.738 0.029 0.000 0.927 18 Q HN 0.507 nan 8.270 nan 0.000 0.450 19 Q N -0.279 119.537 119.800 0.027 0.000 2.222 19 Q HA 0.111 4.450 4.340 -0.001 0.000 0.206 19 Q C -0.348 175.644 176.000 -0.014 0.000 0.877 19 Q CA -0.036 55.772 55.803 0.008 0.000 0.958 19 Q CB 0.580 29.323 28.738 0.009 0.000 1.075 19 Q HN 0.181 nan 8.270 nan 0.000 0.483 20 Q N -2.065 117.729 119.800 -0.011 0.000 2.481 20 Q HA -0.232 4.107 4.340 -0.001 0.000 0.258 20 Q C -0.397 175.529 176.000 -0.123 0.000 0.961 20 Q CA 0.760 56.489 55.803 -0.122 0.000 1.121 20 Q CB -2.124 26.487 28.738 -0.211 0.000 1.503 20 Q HN 0.441 nan 8.270 nan 0.000 0.544 21 A N 0.404 123.249 122.820 0.043 0.000 2.264 21 A HA 0.649 4.969 4.320 -0.001 0.000 0.304 21 A C 0.407 178.154 177.584 0.272 0.000 1.100 21 A CA -0.597 51.502 52.037 0.103 0.000 0.839 21 A CB 0.545 19.583 19.000 0.063 0.000 1.121 21 A HN 0.274 nan 8.150 nan 0.000 0.496 22 L N 1.377 122.756 121.223 0.259 0.000 2.601 22 L HA -0.010 4.329 4.340 -0.001 0.000 0.277 22 L C 0.107 177.034 176.870 0.097 0.000 1.219 22 L CA 0.176 55.134 54.840 0.197 0.000 0.915 22 L CB 0.108 42.228 42.059 0.101 0.000 1.160 22 L HN 0.664 nan 8.230 nan 0.000 0.494 23 D N 3.964 124.388 120.400 0.040 0.000 2.456 23 D HA 0.093 4.732 4.640 -0.001 0.000 0.219 23 D C 0.826 177.108 176.300 -0.029 0.000 1.126 23 D CA -0.229 53.775 54.000 0.007 0.000 0.890 23 D CB 0.828 41.627 40.800 -0.001 0.000 1.025 23 D HN 0.384 nan 8.370 nan 0.000 0.511 24 K N 2.015 122.406 120.400 -0.016 0.000 2.057 24 K HA -0.102 4.218 4.320 -0.001 0.000 0.206 24 K C 1.797 178.378 176.600 -0.032 0.000 1.050 24 K CA 1.172 57.442 56.287 -0.028 0.000 0.935 24 K CB 0.091 32.580 32.500 -0.019 0.000 0.715 24 K HN 0.408 nan 8.250 nan 0.000 0.439 25 A N 1.106 123.911 122.820 -0.025 0.000 1.933 25 A HA -0.132 4.187 4.320 -0.001 0.000 0.218 25 A C 2.224 179.787 177.584 -0.034 0.000 1.175 25 A CA 1.722 53.744 52.037 -0.025 0.000 0.628 25 A CB -0.422 18.567 19.000 -0.019 0.000 0.814 25 A HN 0.151 nan 8.150 nan 0.000 0.444 26 S N -0.608 115.065 115.700 -0.044 0.000 2.383 26 S HA -0.094 4.376 4.470 -0.001 0.000 0.227 26 S C 1.838 176.396 174.600 -0.070 0.000 1.026 26 S CA 1.213 59.376 58.200 -0.061 0.000 0.981 26 S CB -0.377 62.781 63.200 -0.069 0.000 0.818 26 S HN 0.489 nan 8.310 nan 0.000 0.472 27 L N 2.324 123.501 121.223 -0.077 0.000 2.012 27 L HA -0.090 4.250 4.340 -0.001 0.000 0.210 27 L C 2.185 179.027 176.870 -0.047 0.000 1.073 27 L CA 1.772 56.565 54.840 -0.078 0.000 0.748 27 L CB -0.483 41.525 42.059 -0.085 0.000 0.891 27 L HN 0.138 nan 8.230 nan 0.000 0.431 28 R N -0.954 119.524 120.500 -0.037 0.000 2.081 28 R HA -0.129 4.210 4.340 -0.001 0.000 0.235 28 R C 2.394 178.692 176.300 -0.003 0.000 1.131 28 R CA 1.613 57.700 56.100 -0.021 0.000 0.960 28 R CB -0.400 29.887 30.300 -0.021 0.000 0.856 28 R HN 0.361 nan 8.270 nan 0.000 0.436 29 R N 0.370 120.866 120.500 -0.008 0.000 2.091 29 R HA -0.146 4.193 4.340 -0.001 0.000 0.238 29 R C 2.260 178.588 176.300 0.047 0.000 1.136 29 R CA 1.210 57.317 56.100 0.011 0.000 0.959 29 R CB -0.421 29.864 30.300 -0.024 0.000 0.856 29 R HN 0.104 nan 8.270 nan 0.000 0.437 30 L N 0.530 121.759 121.223 0.011 0.000 2.046 30 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 30 L C 2.017 178.948 176.870 0.102 0.000 1.077 30 L CA 1.553 56.419 54.840 0.043 0.000 0.747 30 L CB -0.371 41.674 42.059 -0.023 0.000 0.896 30 L HN -0.076 nan 8.230 nan 0.000 0.432 31 V N -0.363 119.580 119.914 0.049 0.000 2.287 31 V HA -0.298 3.822 4.120 -0.001 0.000 0.248 31 V C 2.684 178.817 176.094 0.065 0.000 1.053 31 V CA 1.755 64.080 62.300 0.042 0.000 1.027 31 V CB -0.719 31.107 31.823 0.005 0.000 0.646 31 V HN 0.511 nan 8.190 nan 0.000 0.447 32 Q N -1.117 118.728 119.800 0.074 0.000 2.079 32 Q HA -0.141 4.199 4.340 -0.001 0.000 0.200 32 Q C 2.082 178.147 176.000 0.109 0.000 0.974 32 Q CA 1.586 57.431 55.803 0.071 0.000 0.840 32 Q CB -0.625 28.150 28.738 0.062 0.000 0.898 32 Q HN 0.650 nan 8.270 nan 0.000 0.430 33 F N 2.376 122.335 119.950 0.014 0.000 2.126 33 F HA -0.213 4.313 4.527 -0.001 0.000 0.299 33 F C 1.848 177.685 175.800 0.062 0.000 1.096 33 F CA 1.246 59.268 58.000 0.037 0.000 1.255 33 F CB -0.114 38.909 39.000 0.038 0.000 0.997 33 F HN 0.121 nan 8.300 nan 0.000 0.479 34 N N 0.704 119.491 118.700 0.145 0.000 2.106 34 N HA -0.169 4.570 4.740 -0.001 0.000 0.188 34 N C 2.106 177.620 175.510 0.007 0.000 1.029 34 N CA 1.869 54.962 53.050 0.072 0.000 0.848 34 N CB -0.376 38.172 38.487 0.102 0.000 1.007 34 N HN 0.345 nan 8.380 nan 0.000 0.423 35 I N 1.713 122.289 120.570 0.009 0.000 2.208 35 I HA -0.294 3.875 4.170 -0.001 0.000 0.245 35 I C 2.111 178.205 176.117 -0.039 0.000 1.097 35 I CA 1.321 62.616 61.300 -0.008 0.000 1.363 35 I CB -0.260 37.737 38.000 -0.004 0.000 1.051 35 I HN 0.143 nan 8.210 nan 0.000 0.413 36 Q N 0.082 119.834 119.800 -0.080 0.000 2.364 36 Q HA -0.202 4.138 4.340 -0.001 0.000 0.207 36 Q C 2.007 177.912 176.000 -0.159 0.000 0.970 36 Q CA 0.886 56.615 55.803 -0.124 0.000 0.888 36 Q CB -0.043 28.599 28.738 -0.159 0.000 0.951 36 Q HN 0.579 nan 8.270 nan 0.000 0.469 37 Q N -0.816 118.895 119.800 -0.149 0.000 2.435 37 Q HA 0.016 4.356 4.340 -0.001 0.000 0.207 37 Q C 0.753 176.777 176.000 0.041 0.000 0.956 37 Q CA 0.575 56.362 55.803 -0.027 0.000 0.917 37 Q CB 0.458 29.254 28.738 0.097 0.000 0.997 37 Q HN 0.523 nan 8.270 nan 0.000 0.497 38 G N 1.311 110.116 108.800 0.007 0.000 2.132 38 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.228 38 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.228 38 G C -0.106 174.817 174.900 0.039 0.000 1.000 38 G CA -0.255 44.858 45.100 0.022 0.000 0.693 38 G HN 0.275 nan 8.290 nan 0.000 0.515 39 I N 0.943 121.537 120.570 0.040 0.000 2.692 39 I HA 0.280 4.450 4.170 -0.001 0.000 0.284 39 I C 1.253 177.400 176.117 0.050 0.000 1.159 39 I CA -0.135 61.194 61.300 0.048 0.000 1.423 39 I CB 0.683 38.720 38.000 0.063 0.000 1.380 39 I HN 0.140 nan 8.210 nan 0.000 0.580 40 D N 4.844 125.283 120.400 0.065 0.000 2.277 40 D HA 0.142 4.782 4.640 -0.001 0.000 0.208 40 D C 0.602 176.942 176.300 0.067 0.000 0.962 40 D CA 1.007 55.050 54.000 0.071 0.000 0.865 40 D CB 0.208 41.067 40.800 0.098 0.000 0.939 40 D HN 0.676 nan 8.370 nan 0.000 0.510 41 G N -0.786 108.055 108.800 0.068 0.000 2.441 41 G HA2 0.490 4.450 3.960 -0.001 0.000 0.294 41 G HA3 0.490 4.450 3.960 -0.001 0.000 0.294 41 G C -1.968 172.964 174.900 0.054 0.000 1.393 41 G CA -0.828 44.304 45.100 0.055 0.000 0.796 41 G HN 0.028 nan 8.290 nan 0.000 0.494 42 L N -0.062 121.189 121.223 0.046 0.000 2.381 42 L HA 0.529 4.869 4.340 -0.001 0.000 0.268 42 L C -1.424 175.505 176.870 0.098 0.000 0.997 42 L CA -0.979 53.895 54.840 0.056 0.000 0.818 42 L CB 2.636 44.715 42.059 0.033 0.000 1.310 42 L HN 0.639 nan 8.230 nan 0.000 0.416 43 Y N 3.051 123.307 120.300 -0.073 0.000 2.417 43 Y HA 0.565 5.115 4.550 0.000 0.000 0.336 43 Y C -0.754 175.107 175.900 -0.066 0.000 0.961 43 Y CA -0.606 57.437 58.100 -0.094 0.000 1.215 43 Y CB 1.196 39.516 38.460 -0.235 0.000 1.120 43 Y HN 0.210 nan 8.280 nan 0.000 0.499 44 V N 5.227 125.031 119.914 -0.183 0.000 2.483 44 V HA 0.573 4.692 4.120 -0.001 0.000 0.295 44 V C 0.668 176.646 176.094 -0.195 0.000 1.035 44 V CA -0.231 62.009 62.300 -0.099 0.000 0.896 44 V CB 1.185 33.052 31.823 0.074 0.000 0.986 44 V HN 1.011 nan 8.190 nan 0.000 0.447 45 G N 3.262 111.979 108.800 -0.138 0.000 2.160 45 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.244 45 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.244 45 G C 0.456 175.321 174.900 -0.059 0.000 1.022 45 G CA 0.163 45.192 45.100 -0.118 0.000 0.741 45 G HN 1.322 nan 8.290 nan 0.000 0.508 46 G N -0.711 108.017 108.800 -0.119 0.000 2.509 46 G HA2 0.576 4.536 3.960 -0.001 0.000 0.269 46 G HA3 0.576 4.536 3.960 -0.001 0.000 0.269 46 G C 1.316 176.125 174.900 -0.151 0.000 1.416 46 G CA 0.889 45.898 45.100 -0.152 0.000 1.052 46 G HN 0.622 nan 8.290 nan 0.000 0.542 47 S N -0.645 115.078 115.700 0.038 0.000 2.365 47 S HA -0.174 4.296 4.470 -0.001 0.000 0.225 47 S C 2.539 177.060 174.600 -0.132 0.000 1.039 47 S CA 2.091 60.395 58.200 0.174 0.000 1.033 47 S CB -0.591 62.830 63.200 0.369 0.000 0.887 47 S HN 0.618 nan 8.310 nan 0.000 0.447 48 T N 1.351 115.729 114.554 -0.294 0.000 2.803 48 T HA -0.050 4.300 4.350 -0.001 0.000 0.269 48 T C 1.819 176.079 174.700 -0.734 0.000 1.052 48 T CA 1.261 62.880 62.100 -0.801 0.000 1.136 48 T CB -0.589 68.046 68.868 -0.388 0.000 0.864 48 T HN 0.561 nan 8.240 nan 0.000 0.467 49 G N 0.510 109.077 108.800 -0.387 0.000 2.848 49 G HA2 0.065 4.025 3.960 -0.001 0.000 0.208 49 G HA3 0.065 4.025 3.960 -0.001 0.000 0.208 49 G C 0.205 174.971 174.900 -0.224 0.000 1.152 49 G CA -0.067 44.859 45.100 -0.291 0.000 0.789 49 G HN 0.609 nan 8.290 nan 0.000 0.531 50 E N -1.466 118.596 120.200 -0.230 0.000 2.476 50 E HA -0.306 4.044 4.350 -0.001 0.000 0.251 50 E C 1.716 178.316 176.600 0.000 0.000 1.130 50 E CA 0.020 56.425 56.400 0.009 0.000 0.736 50 E CB -1.455 28.355 29.700 0.183 0.000 1.298 50 E HN 0.516 nan 8.360 nan 0.000 0.400 51 A N -0.150 122.536 122.820 -0.223 0.000 1.948 51 A HA -0.161 4.158 4.320 -0.001 0.000 0.220 51 A C 1.468 178.892 177.584 -0.267 0.000 1.177 51 A CA 1.617 53.451 52.037 -0.338 0.000 0.636 51 A CB -0.395 18.246 19.000 -0.598 0.000 0.815 51 A HN 0.329 nan 8.150 nan 0.000 0.449 52 F N -0.637 119.437 119.950 0.206 0.000 2.811 52 F HA 0.128 4.655 4.527 -0.001 0.000 0.301 52 F C 1.544 177.442 175.800 0.163 0.000 1.151 52 F CA 0.615 58.742 58.000 0.213 0.000 1.412 52 F CB -0.046 39.102 39.000 0.247 0.000 1.113 52 F HN 0.135 nan 8.300 nan 0.000 0.579 53 V N -2.746 117.312 119.914 0.239 0.000 3.121 53 V HA 0.354 4.473 4.120 -0.001 0.000 0.344 53 V C -0.005 176.149 176.094 0.100 0.000 1.390 53 V CA -0.237 62.159 62.300 0.160 0.000 1.177 53 V CB -0.749 31.168 31.823 0.157 0.000 1.163 53 V HN 0.158 nan 8.190 nan 0.000 0.484 54 Q N 1.154 121.013 119.800 0.099 0.000 2.387 54 Q HA 0.641 4.980 4.340 -0.001 0.000 0.273 54 Q C 0.037 176.073 176.000 0.061 0.000 1.089 54 Q CA -0.331 55.517 55.803 0.074 0.000 0.824 54 Q CB 2.515 31.301 28.738 0.081 0.000 1.367 54 Q HN 0.644 nan 8.270 nan 0.000 0.443 55 S N 0.366 116.093 115.700 0.046 0.000 2.624 55 S HA 0.169 4.638 4.470 -0.001 0.000 0.263 55 S C 0.947 175.563 174.600 0.028 0.000 1.287 55 S CA -0.544 57.678 58.200 0.037 0.000 0.990 55 S CB 0.492 63.708 63.200 0.027 0.000 0.950 55 S HN 0.525 nan 8.310 nan 0.000 0.561 56 L N 1.577 122.812 121.223 0.020 0.000 2.042 56 L HA -0.060 4.280 4.340 -0.001 0.000 0.210 56 L C 2.986 179.863 176.870 0.012 0.000 1.076 56 L CA 2.151 56.995 54.840 0.006 0.000 0.749 56 L CB -1.814 40.244 42.059 -0.002 0.000 0.893 56 L HN 0.987 nan 8.230 nan 0.000 0.432 57 S N -0.934 114.777 115.700 0.018 0.000 2.368 57 S HA -0.200 4.270 4.470 -0.001 0.000 0.225 57 S C 1.908 176.526 174.600 0.030 0.000 1.030 57 S CA 1.421 59.637 58.200 0.026 0.000 0.999 57 S CB -0.084 63.130 63.200 0.023 0.000 0.844 57 S HN 0.532 nan 8.310 nan 0.000 0.459 58 E N 0.398 120.617 120.200 0.031 0.000 2.077 58 E HA -0.126 4.224 4.350 -0.001 0.000 0.193 58 E C 2.507 179.123 176.600 0.028 0.000 0.989 58 E CA 1.081 57.505 56.400 0.040 0.000 0.800 58 E CB -0.121 29.616 29.700 0.062 0.000 0.746 58 E HN 0.474 nan 8.360 nan 0.000 0.452 59 R N 0.810 121.319 120.500 0.015 0.000 2.081 59 R HA -0.144 4.196 4.340 -0.001 0.000 0.235 59 R C 2.227 178.524 176.300 -0.005 0.000 1.131 59 R CA 1.366 57.459 56.100 -0.012 0.000 0.960 59 R CB -0.152 30.126 30.300 -0.037 0.000 0.856 59 R HN 0.230 nan 8.270 nan 0.000 0.436 60 E N 0.602 120.821 120.200 0.032 0.000 2.077 60 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 60 E C 2.131 178.757 176.600 0.045 0.000 0.989 60 E CA 1.166 57.639 56.400 0.121 0.000 0.800 60 E CB 0.007 29.803 29.700 0.161 0.000 0.746 60 E HN 0.397 nan 8.360 nan 0.000 0.452 61 Q N 0.264 120.066 119.800 0.003 0.000 2.061 61 Q HA -0.159 4.181 4.340 -0.001 0.000 0.204 61 Q C 2.386 178.341 176.000 -0.076 0.000 0.984 61 Q CA 1.444 57.217 55.803 -0.049 0.000 0.846 61 Q CB -0.073 28.656 28.738 -0.015 0.000 0.902 61 Q HN 0.145 nan 8.270 nan 0.000 0.421 62 V N 1.146 121.035 119.914 -0.042 0.000 2.295 62 V HA -0.276 3.843 4.120 -0.001 0.000 0.246 62 V C 2.219 178.299 176.094 -0.023 0.000 1.049 62 V CA 1.604 63.879 62.300 -0.042 0.000 1.024 62 V CB -0.558 31.239 31.823 -0.043 0.000 0.648 62 V HN 0.363 nan 8.190 nan 0.000 0.447 63 L N -0.195 121.023 121.223 -0.008 0.000 2.012 63 L HA -0.256 4.084 4.340 -0.001 0.000 0.210 63 L C 2.621 179.514 176.870 0.038 0.000 1.073 63 L CA 2.274 57.174 54.840 0.101 0.000 0.748 63 L CB -0.585 41.498 42.059 0.039 0.000 0.891 63 L HN 0.468 nan 8.230 nan 0.000 0.431 64 E N 0.754 120.704 120.200 -0.416 0.000 2.051 64 E HA -0.231 4.119 4.350 -0.001 0.000 0.192 64 E C 2.309 178.741 176.600 -0.280 0.000 0.991 64 E CA 1.275 57.236 56.400 -0.732 0.000 0.799 64 E CB -0.056 29.126 29.700 -0.863 0.000 0.748 64 E HN 0.432 nan 8.360 nan 0.000 0.449 65 I N 0.502 120.968 120.570 -0.173 0.000 2.226 65 I HA -0.260 3.910 4.170 -0.001 0.000 0.245 65 I C 2.356 178.430 176.117 -0.071 0.000 1.100 65 I CA 0.735 61.974 61.300 -0.102 0.000 1.374 65 I CB -0.103 37.852 38.000 -0.076 0.000 1.057 65 I HN 0.093 nan 8.210 nan 0.000 0.413 66 V N 0.950 120.842 119.914 -0.036 0.000 2.343 66 V HA -0.289 3.831 4.120 -0.001 0.000 0.247 66 V C 2.698 178.730 176.094 -0.104 0.000 1.051 66 V CA 1.914 64.195 62.300 -0.032 0.000 1.036 66 V CB -1.040 30.808 31.823 0.042 0.000 0.654 66 V HN 0.497 nan 8.190 nan 0.000 0.451 67 A N -0.260 122.488 122.820 -0.121 0.000 1.902 67 A HA -0.263 4.057 4.320 -0.001 0.000 0.217 67 A C 2.172 179.686 177.584 -0.118 0.000 1.181 67 A CA 1.969 53.888 52.037 -0.196 0.000 0.623 67 A CB -0.498 18.451 19.000 -0.086 0.000 0.818 67 A HN 0.618 nan 8.150 nan 0.000 0.443 68 E N -0.482 119.665 120.200 -0.089 0.000 2.085 68 E HA -0.195 4.155 4.350 -0.001 0.000 0.194 68 E C 2.016 178.581 176.600 -0.058 0.000 0.994 68 E CA 1.301 57.662 56.400 -0.065 0.000 0.801 68 E CB -0.100 29.563 29.700 -0.063 0.000 0.743 68 E HN 0.548 nan 8.360 nan 0.000 0.453 69 E N -0.455 119.708 120.200 -0.062 0.000 2.107 69 E HA -0.069 4.280 4.350 -0.001 0.000 0.191 69 E C 1.452 178.020 176.600 -0.053 0.000 0.982 69 E CA 1.078 57.449 56.400 -0.048 0.000 0.809 69 E CB 0.250 29.926 29.700 -0.040 0.000 0.756 69 E HN 0.233 nan 8.360 nan 0.000 0.459 70 A N 0.392 123.164 122.820 -0.080 0.000 2.427 70 A HA 0.095 4.415 4.320 -0.001 0.000 0.225 70 A C 0.984 178.504 177.584 -0.106 0.000 1.257 70 A CA -0.330 51.657 52.037 -0.084 0.000 0.985 70 A CB 0.262 19.209 19.000 -0.088 0.000 1.136 70 A HN -0.029 nan 8.150 nan 0.000 0.538 71 K N 0.473 120.794 120.400 -0.132 0.000 2.484 71 K HA 0.283 4.603 4.320 -0.001 0.000 0.280 71 K C 1.240 177.796 176.600 -0.075 0.000 1.013 71 K CA 1.139 57.346 56.287 -0.133 0.000 1.029 71 K CB -0.076 32.349 32.500 -0.125 0.000 0.902 71 K HN 0.859 nan 8.250 nan 0.000 0.481 72 G N 3.651 112.414 108.800 -0.062 0.000 2.234 72 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.260 72 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.260 72 G C 0.766 175.652 174.900 -0.025 0.000 0.987 72 G CA 0.708 45.789 45.100 -0.033 0.000 0.625 72 G HN 0.712 nan 8.290 nan 0.000 0.532 73 K N -0.184 120.197 120.400 -0.033 0.000 2.244 73 K HA 0.470 4.789 4.320 -0.001 0.000 0.200 73 K C 1.283 177.874 176.600 -0.015 0.000 1.052 73 K CA 1.238 57.512 56.287 -0.022 0.000 0.980 73 K CB 0.396 32.881 32.500 -0.025 0.000 0.838 73 K HN 0.745 nan 8.250 nan 0.000 0.481 74 I N -2.336 118.220 120.570 -0.023 0.000 3.191 74 I HA 0.407 4.577 4.170 -0.001 0.000 0.313 74 I C -1.197 174.909 176.117 -0.018 0.000 1.193 74 I CA -1.459 59.836 61.300 -0.008 0.000 0.968 74 I CB 1.697 39.697 38.000 -0.001 0.000 1.262 74 I HN -0.332 nan 8.210 nan 0.000 0.456 75 K N 2.885 123.292 120.400 0.012 0.000 2.295 75 K HA 0.542 4.861 4.320 -0.001 0.000 0.270 75 K C -0.953 175.646 176.600 -0.002 0.000 1.011 75 K CA -0.183 56.116 56.287 0.020 0.000 0.953 75 K CB 1.028 33.572 32.500 0.072 0.000 0.956 75 K HN 0.549 nan 8.250 nan 0.000 0.477 76 L N 4.302 125.509 121.223 -0.027 0.000 2.376 76 L HA 0.500 4.840 4.340 -0.001 0.000 0.275 76 L C -0.292 176.694 176.870 0.192 0.000 0.987 76 L CA -0.596 54.214 54.840 -0.050 0.000 0.828 76 L CB 1.247 43.000 42.059 -0.510 0.000 1.249 76 L HN 0.398 nan 8.230 nan 0.000 0.409 77 I N 2.709 123.426 120.570 0.244 0.000 2.378 77 I HA 0.544 4.713 4.170 -0.001 0.000 0.291 77 I C 0.221 176.388 176.117 0.084 0.000 0.992 77 I CA -0.508 60.916 61.300 0.206 0.000 1.154 77 I CB 2.077 40.168 38.000 0.152 0.000 1.315 77 I HN 0.629 nan 8.210 nan 0.000 0.448 78 A N 4.668 127.459 122.820 -0.049 0.000 2.253 78 A HA 0.332 4.652 4.320 -0.001 0.000 0.316 78 A C -0.546 176.820 177.584 -0.363 0.000 1.327 78 A CA -0.349 51.440 52.037 -0.414 0.000 0.917 78 A CB -0.240 18.258 19.000 -0.836 0.000 1.162 78 A HN 0.773 nan 8.150 nan 0.000 0.535 79 H N 2.657 121.401 119.070 -0.545 0.000 2.944 79 H HA 0.327 4.883 4.556 -0.000 0.000 0.278 79 H C 0.683 175.884 175.328 -0.212 0.000 1.083 79 H CA 0.568 56.379 56.048 -0.396 0.000 1.479 79 H CB 0.963 30.449 29.762 -0.461 0.000 1.486 79 H HN 0.486 nan 8.280 nan 0.000 0.493 80 V N 2.375 121.903 119.914 -0.643 0.000 3.528 80 V HA 0.472 4.592 4.120 -0.001 0.000 0.294 80 V C 1.098 176.936 176.094 -0.428 0.000 1.404 80 V CA 0.135 62.169 62.300 -0.444 0.000 1.065 80 V CB -0.107 31.541 31.823 -0.290 0.000 0.904 80 V HN 0.769 nan 8.190 nan 0.000 0.435 81 G N 0.031 108.394 108.800 -0.727 0.000 2.365 81 G HA2 0.420 4.380 3.960 -0.001 0.000 0.249 81 G HA3 0.420 4.380 3.960 -0.001 0.000 0.249 81 G C -0.279 174.744 174.900 0.206 0.000 1.288 81 G CA 0.386 45.411 45.100 -0.123 0.000 0.887 81 G HN 0.537 nan 8.290 nan 0.000 0.524 82 C N 1.028 120.445 119.300 0.195 0.000 3.108 82 C HA 0.398 4.858 4.460 -0.001 0.000 0.321 82 C C 1.805 176.812 174.990 0.029 0.000 1.357 82 C CA -0.569 58.572 59.018 0.206 0.000 1.562 82 C CB 1.474 29.275 27.740 0.101 0.000 2.003 82 C HN 0.546 nan 8.230 nan 0.000 0.460 83 V N 1.212 121.010 119.914 -0.194 0.000 2.295 83 V HA -0.104 4.016 4.120 -0.001 0.000 0.246 83 V C 1.395 177.405 176.094 -0.139 0.000 1.049 83 V CA 2.148 64.259 62.300 -0.316 0.000 1.024 83 V CB -0.465 31.151 31.823 -0.345 0.000 0.648 83 V HN 0.894 nan 8.190 nan 0.000 0.447 84 S N -0.318 115.356 115.700 -0.044 0.000 2.531 84 S HA 0.027 4.496 4.470 -0.001 0.000 0.279 84 S C 1.354 175.977 174.600 0.040 0.000 1.305 84 S CA 0.215 58.404 58.200 -0.019 0.000 1.058 84 S CB 1.242 64.434 63.200 -0.014 0.000 0.899 84 S HN 0.497 nan 8.310 nan 0.000 0.493 85 T N 5.364 119.937 114.554 0.030 0.000 2.737 85 T HA -0.063 4.287 4.350 -0.001 0.000 0.265 85 T C 2.180 176.809 174.700 -0.118 0.000 1.038 85 T CA 1.468 63.536 62.100 -0.052 0.000 1.144 85 T CB -0.724 68.107 68.868 -0.063 0.000 0.866 85 T HN 0.813 nan 8.240 nan 0.000 0.434 86 A N 1.797 124.569 122.820 -0.081 0.000 1.917 86 A HA -0.206 4.113 4.320 -0.001 0.000 0.219 86 A C 2.221 179.760 177.584 -0.074 0.000 1.182 86 A CA 1.882 53.873 52.037 -0.077 0.000 0.633 86 A CB -0.645 18.320 19.000 -0.057 0.000 0.819 86 A HN 0.602 nan 8.150 nan 0.000 0.448 87 E N -0.166 120.001 120.200 -0.055 0.000 2.077 87 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 87 E C 2.330 178.885 176.600 -0.074 0.000 0.989 87 E CA 1.293 57.664 56.400 -0.048 0.000 0.800 87 E CB -0.186 29.503 29.700 -0.017 0.000 0.746 87 E HN 0.606 nan 8.360 nan 0.000 0.452 88 S N 1.166 116.811 115.700 -0.092 0.000 2.383 88 S HA -0.222 4.248 4.470 -0.001 0.000 0.229 88 S C 1.946 176.443 174.600 -0.171 0.000 1.030 88 S CA 1.137 59.249 58.200 -0.145 0.000 1.002 88 S CB -0.203 62.870 63.200 -0.212 0.000 0.829 88 S HN 0.274 nan 8.310 nan 0.000 0.467 89 Q N 0.731 120.432 119.800 -0.164 0.000 2.119 89 Q HA -0.162 4.177 4.340 -0.001 0.000 0.201 89 Q C 2.444 178.367 176.000 -0.127 0.000 0.972 89 Q CA 1.209 56.923 55.803 -0.148 0.000 0.847 89 Q CB -0.194 28.464 28.738 -0.132 0.000 0.903 89 Q HN 0.616 nan 8.270 nan 0.000 0.433 90 Q N 0.768 120.502 119.800 -0.110 0.000 2.061 90 Q HA -0.195 4.144 4.340 -0.001 0.000 0.204 90 Q C 2.022 177.947 176.000 -0.126 0.000 0.984 90 Q CA 1.202 56.944 55.803 -0.102 0.000 0.846 90 Q CB -0.052 28.640 28.738 -0.076 0.000 0.902 90 Q HN 0.399 nan 8.270 nan 0.000 0.421 91 L N 0.107 121.250 121.223 -0.133 0.000 2.093 91 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 91 L C 2.619 179.366 176.870 -0.205 0.000 1.085 91 L CA 0.825 55.568 54.840 -0.162 0.000 0.755 91 L CB -0.639 41.322 42.059 -0.165 0.000 0.904 91 L HN 0.302 nan 8.230 nan 0.000 0.435 92 A N 0.314 123.022 122.820 -0.186 0.000 1.877 92 A HA -0.184 4.136 4.320 -0.001 0.000 0.216 92 A C 2.573 180.056 177.584 -0.168 0.000 1.186 92 A CA 1.767 53.700 52.037 -0.174 0.000 0.620 92 A CB -0.717 18.197 19.000 -0.144 0.000 0.822 92 A HN 0.387 nan 8.150 nan 0.000 0.443 93 A N -0.407 122.318 122.820 -0.159 0.000 1.883 93 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 93 A C 2.462 179.904 177.584 -0.235 0.000 1.186 93 A CA 2.278 54.220 52.037 -0.157 0.000 0.624 93 A CB -0.950 17.971 19.000 -0.131 0.000 0.822 93 A HN 0.480 nan 8.150 nan 0.000 0.444 94 S N -0.063 115.455 115.700 -0.303 0.000 2.356 94 S HA -0.030 4.440 4.470 -0.001 0.000 0.223 94 S C 2.345 176.513 174.600 -0.720 0.000 1.032 94 S CA 1.176 59.037 58.200 -0.565 0.000 1.005 94 S CB -0.598 62.345 63.200 -0.429 0.000 0.867 94 S HN 0.838 nan 8.310 nan 0.000 0.449 95 A N 2.038 124.612 122.820 -0.410 0.000 1.892 95 A HA -0.252 4.068 4.320 -0.001 0.000 0.218 95 A C 2.016 179.563 177.584 -0.061 0.000 1.188 95 A CA 2.299 54.155 52.037 -0.303 0.000 0.631 95 A CB -0.657 18.108 19.000 -0.392 0.000 0.822 95 A HN 0.414 nan 8.150 nan 0.000 0.447 96 K N -0.050 120.286 120.400 -0.106 0.000 2.009 96 K HA -0.122 4.198 4.320 -0.001 0.000 0.210 96 K C 2.150 178.726 176.600 -0.040 0.000 1.049 96 K CA 1.858 58.125 56.287 -0.034 0.000 0.929 96 K CB -0.381 32.085 32.500 -0.057 0.000 0.714 96 K HN 0.445 nan 8.250 nan 0.000 0.440 97 R N -0.887 119.515 120.500 -0.164 0.000 2.117 97 R HA -0.170 4.170 4.340 -0.001 0.000 0.243 97 R C 1.961 178.258 176.300 -0.006 0.000 1.143 97 R CA 1.798 57.806 56.100 -0.152 0.000 0.968 97 R CB -0.478 29.646 30.300 -0.293 0.000 0.863 97 R HN 0.335 nan 8.270 nan 0.000 0.444 98 Y N -0.606 119.761 120.300 0.112 0.000 2.546 98 Y HA 0.192 4.741 4.550 -0.001 0.000 0.287 98 Y C 1.524 177.519 175.900 0.158 0.000 1.158 98 Y CA 0.331 58.527 58.100 0.160 0.000 1.307 98 Y CB -0.206 38.416 38.460 0.270 0.000 1.036 98 Y HN 0.288 nan 8.280 nan 0.000 0.532 99 G N -0.431 108.529 108.800 0.268 0.000 2.204 99 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.244 99 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.244 99 G C -0.174 174.802 174.900 0.127 0.000 1.062 99 G CA -0.549 44.643 45.100 0.153 0.000 0.798 99 G HN 0.136 nan 8.290 nan 0.000 0.496 100 F N 0.500 120.484 119.950 0.057 0.000 2.444 100 F HA 0.322 4.849 4.527 -0.001 0.000 0.331 100 F C 1.669 177.491 175.800 0.037 0.000 1.167 100 F CA 0.071 58.097 58.000 0.043 0.000 1.262 100 F CB 0.611 39.631 39.000 0.032 0.000 1.196 100 F HN 0.082 nan 8.300 nan 0.000 0.583 101 D N 0.838 121.337 120.400 0.166 0.000 2.289 101 D HA 0.201 4.841 4.640 -0.001 0.000 0.207 101 D C 0.238 176.634 176.300 0.160 0.000 0.966 101 D CA 0.789 54.866 54.000 0.129 0.000 0.868 101 D CB 0.384 41.238 40.800 0.089 0.000 0.943 101 D HN 0.390 nan 8.370 nan 0.000 0.514 102 A N 0.294 123.236 122.820 0.203 0.000 2.610 102 A HA 0.530 4.849 4.320 -0.001 0.000 0.291 102 A C -0.780 176.882 177.584 0.130 0.000 1.086 102 A CA -0.709 51.427 52.037 0.165 0.000 0.677 102 A CB 1.424 20.531 19.000 0.179 0.000 1.278 102 A HN -0.052 nan 8.150 nan 0.000 0.414 103 V N -1.619 118.344 119.914 0.082 0.000 3.103 103 V HA 1.003 5.122 4.120 -0.001 0.000 0.318 103 V C -0.055 176.092 176.094 0.089 0.000 1.114 103 V CA -0.264 62.046 62.300 0.017 0.000 1.020 103 V CB 1.579 33.384 31.823 -0.031 0.000 1.085 103 V HN 1.732 nan 8.190 nan 0.000 0.446 104 S N 0.401 116.148 115.700 0.078 0.000 2.537 104 S HA 0.858 5.327 4.470 -0.001 0.000 0.270 104 S C -0.920 173.850 174.600 0.283 0.000 1.142 104 S CA 0.107 58.464 58.200 0.263 0.000 0.870 104 S CB 1.529 64.952 63.200 0.372 0.000 1.112 104 S HN 2.221 nan 8.310 nan 0.000 0.466 105 A N 2.852 125.955 122.820 0.472 0.000 2.408 105 A HA 0.712 5.032 4.320 -0.001 0.000 0.295 105 A C -0.357 177.651 177.584 0.707 0.000 1.040 105 A CA -0.567 51.733 52.037 0.439 0.000 0.707 105 A CB 1.401 20.470 19.000 0.115 0.000 1.235 105 A HN 1.200 nan 8.150 nan 0.000 0.418 106 V N 2.816 123.253 119.914 0.872 0.000 2.872 106 V HA 0.352 4.472 4.120 -0.001 0.000 0.307 106 V C 1.063 177.398 176.094 0.402 0.000 1.072 106 V CA 0.837 63.432 62.300 0.491 0.000 1.148 106 V CB 1.072 33.090 31.823 0.325 0.000 0.954 106 V HN 1.302 nan 8.190 nan 0.000 0.490 107 T N 6.751 121.496 114.554 0.319 0.000 2.867 107 T HA 0.212 4.561 4.350 -0.001 0.000 0.297 107 T C -2.333 172.554 174.700 0.311 0.000 0.989 107 T CA -0.987 61.310 62.100 0.329 0.000 1.159 107 T CB 0.539 69.515 68.868 0.179 0.000 0.928 107 T HN 0.722 nan 8.240 nan 0.000 0.538 108 P HA 0.202 nan 4.420 nan 0.000 0.268 108 P C -0.460 177.020 177.300 0.299 0.000 1.204 108 P CA -0.322 62.780 63.100 0.002 0.000 0.768 108 P CB 0.262 31.620 31.700 -0.570 0.000 0.842 109 F N 1.081 121.149 119.950 0.196 0.000 2.697 109 F HA 0.531 5.058 4.527 -0.000 0.000 0.386 109 F C 1.550 177.434 175.800 0.141 0.000 1.154 109 F CA -1.303 56.773 58.000 0.128 0.000 1.108 109 F CB -0.262 38.727 39.000 -0.019 0.000 1.429 109 F HN 0.426 nan 8.300 nan 0.000 0.509 110 Y N -1.062 119.331 120.300 0.154 0.000 2.728 110 Y HA -0.391 4.159 4.550 -0.001 0.000 0.481 110 Y C -0.466 175.252 175.900 -0.304 0.000 1.108 110 Y CA 1.651 59.667 58.100 -0.139 0.000 2.921 110 Y CB -1.658 36.600 38.460 -0.337 0.000 1.016 110 Y HN 0.534 nan 8.280 nan 0.000 0.580 111 Y N 3.895 124.118 120.300 -0.128 0.000 2.319 111 Y HA 0.391 4.940 4.550 -0.001 0.000 0.328 111 Y C -1.982 173.438 175.900 -0.800 0.000 1.133 111 Y CA -2.418 55.383 58.100 -0.500 0.000 1.265 111 Y CB -0.050 38.013 38.460 -0.662 0.000 1.218 111 Y HN -0.024 nan 8.280 nan 0.000 0.508 112 P HA 0.064 nan 4.420 nan 0.000 0.266 112 P C -1.117 175.907 177.300 -0.460 0.000 1.215 112 P CA 0.307 63.234 63.100 -0.289 0.000 0.763 112 P CB 0.141 31.759 31.700 -0.137 0.000 0.806 113 F N 0.470 120.429 119.950 0.016 0.000 2.522 113 F HA 0.396 4.923 4.527 -0.001 0.000 0.324 113 F C 1.234 177.024 175.800 -0.017 0.000 1.077 113 F CA -0.695 57.228 58.000 -0.128 0.000 0.944 113 F CB 1.103 39.827 39.000 -0.460 0.000 1.175 113 F HN 0.186 nan 8.300 nan 0.000 0.468 114 S N 1.549 117.360 115.700 0.185 0.000 2.608 114 S HA 0.099 4.568 4.470 -0.001 0.000 0.261 114 S C 0.870 175.671 174.600 0.335 0.000 1.314 114 S CA -0.392 57.939 58.200 0.217 0.000 0.992 114 S CB 0.308 63.595 63.200 0.146 0.000 0.935 114 S HN 0.596 nan 8.310 nan 0.000 0.564 115 F N 1.020 121.111 119.950 0.236 0.000 2.134 115 F HA -0.025 4.502 4.527 -0.000 0.000 0.299 115 F C 2.460 178.381 175.800 0.202 0.000 1.097 115 F CA 2.005 60.164 58.000 0.265 0.000 1.264 115 F CB -0.601 38.490 39.000 0.151 0.000 1.001 115 F HN 0.938 nan 8.300 nan 0.000 0.479 116 E N 0.129 120.351 120.200 0.037 0.000 2.118 116 E HA -0.263 4.087 4.350 -0.001 0.000 0.195 116 E C 2.031 178.568 176.600 -0.105 0.000 0.992 116 E CA 1.735 58.085 56.400 -0.084 0.000 0.804 116 E CB -0.163 29.547 29.700 0.016 0.000 0.741 116 E HN 0.611 nan 8.360 nan 0.000 0.458 117 E N -0.840 119.323 120.200 -0.060 0.000 2.072 117 E HA -0.186 4.164 4.350 -0.001 0.000 0.191 117 E C 1.989 178.469 176.600 -0.201 0.000 0.985 117 E CA 1.208 57.527 56.400 -0.134 0.000 0.801 117 E CB -0.159 29.467 29.700 -0.123 0.000 0.750 117 E HN 0.449 nan 8.360 nan 0.000 0.452 118 H N -0.360 118.668 119.070 -0.071 0.000 2.319 118 H HA -0.166 4.390 4.556 -0.000 0.000 0.297 118 H C 2.299 177.646 175.328 0.032 0.000 1.097 118 H CA 1.661 57.699 56.048 -0.016 0.000 1.285 118 H CB -0.223 29.593 29.762 0.090 0.000 1.368 118 H HN 0.204 nan 8.280 nan 0.000 0.495 119 C N 0.515 119.759 119.300 -0.094 0.000 2.413 119 C HA -0.148 4.311 4.460 -0.001 0.000 0.276 119 C C 2.361 177.359 174.990 0.014 0.000 1.236 119 C CA 1.018 59.974 59.018 -0.104 0.000 1.735 119 C CB -0.489 27.053 27.740 -0.330 0.000 2.031 119 C HN 0.633 nan 8.230 nan 0.000 0.474 120 D N -0.713 119.666 120.400 -0.034 0.000 2.117 120 D HA -0.136 4.503 4.640 -0.001 0.000 0.197 120 D C 1.750 178.037 176.300 -0.022 0.000 0.987 120 D CA 1.498 55.479 54.000 -0.032 0.000 0.829 120 D CB -0.653 40.113 40.800 -0.056 0.000 0.961 120 D HN 0.644 nan 8.370 nan 0.000 0.460 121 H N -0.403 118.575 119.070 -0.153 0.000 2.289 121 H HA -0.203 4.353 4.556 -0.001 0.000 0.296 121 H C 1.792 176.991 175.328 -0.216 0.000 1.091 121 H CA 1.888 57.791 56.048 -0.242 0.000 1.274 121 H CB -0.431 29.114 29.762 -0.360 0.000 1.364 121 H HN 0.172 nan 8.280 nan 0.000 0.490 122 Y N 0.329 120.625 120.300 -0.007 0.000 2.224 122 Y HA -0.147 4.403 4.550 -0.000 0.000 0.289 122 Y C 2.849 178.695 175.900 -0.090 0.000 1.146 122 Y CA 1.552 59.620 58.100 -0.053 0.000 1.182 122 Y CB -0.197 38.272 38.460 0.015 0.000 0.983 122 Y HN 0.150 nan 8.280 nan 0.000 0.524 123 R N -0.348 120.187 120.500 0.057 0.000 2.073 123 R HA -0.170 4.170 4.340 -0.001 0.000 0.234 123 R C 2.553 178.825 176.300 -0.047 0.000 1.134 123 R CA 1.226 57.326 56.100 0.000 0.000 0.952 123 R CB -0.721 29.572 30.300 -0.011 0.000 0.850 123 R HN 0.328 nan 8.270 nan 0.000 0.433 124 A N 1.190 123.956 122.820 -0.089 0.000 1.908 124 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 124 A C 2.157 179.657 177.584 -0.140 0.000 1.181 124 A CA 1.396 53.362 52.037 -0.118 0.000 0.627 124 A CB -0.520 18.391 19.000 -0.147 0.000 0.818 124 A HN 0.210 nan 8.150 nan 0.000 0.445 125 I N -0.669 119.784 120.570 -0.195 0.000 2.286 125 I HA -0.210 3.959 4.170 -0.001 0.000 0.245 125 I C 2.264 178.324 176.117 -0.095 0.000 1.104 125 I CA 1.044 62.231 61.300 -0.188 0.000 1.397 125 I CB -0.306 37.532 38.000 -0.271 0.000 1.072 125 I HN 0.282 nan 8.210 nan 0.000 0.417 126 I N 0.934 121.475 120.570 -0.049 0.000 2.163 126 I HA -0.362 3.807 4.170 -0.001 0.000 0.243 126 I C 2.210 178.311 176.117 -0.027 0.000 1.085 126 I CA 1.922 63.211 61.300 -0.018 0.000 1.347 126 I CB -0.404 37.594 38.000 -0.005 0.000 1.044 126 I HN 0.269 nan 8.210 nan 0.000 0.408 127 D N 0.198 120.575 120.400 -0.037 0.000 2.104 127 D HA -0.184 4.456 4.640 -0.001 0.000 0.194 127 D C 2.186 178.461 176.300 -0.041 0.000 0.994 127 D CA 1.609 55.589 54.000 -0.033 0.000 0.830 127 D CB 0.132 40.909 40.800 -0.038 0.000 0.959 127 D HN 0.146 nan 8.370 nan 0.000 0.452 128 S N -0.621 115.042 115.700 -0.062 0.000 2.428 128 S HA -0.016 4.453 4.470 -0.001 0.000 0.230 128 S C 1.926 176.485 174.600 -0.067 0.000 1.014 128 S CA 0.688 58.845 58.200 -0.071 0.000 0.957 128 S CB -0.089 63.053 63.200 -0.095 0.000 0.784 128 S HN 0.440 nan 8.310 nan 0.000 0.499 129 A N 1.106 123.893 122.820 -0.056 0.000 2.119 129 A HA 0.034 4.353 4.320 -0.001 0.000 0.217 129 A C 0.893 178.467 177.584 -0.016 0.000 1.153 129 A CA 0.908 52.921 52.037 -0.040 0.000 0.692 129 A CB -0.453 18.535 19.000 -0.020 0.000 0.799 129 A HN 0.391 nan 8.150 nan 0.000 0.458 130 D N -3.020 117.372 120.400 -0.013 0.000 2.697 130 D HA -0.115 4.525 4.640 -0.001 0.000 0.238 130 D C 0.951 177.262 176.300 0.017 0.000 1.152 130 D CA 1.916 55.915 54.000 -0.002 0.000 0.666 130 D CB -1.424 39.368 40.800 -0.015 0.000 1.037 130 D HN 1.296 nan 8.370 nan 0.000 0.423 131 G N -1.548 107.272 108.800 0.034 0.000 2.259 131 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.217 131 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.217 131 G C 0.147 175.091 174.900 0.073 0.000 1.001 131 G CA -0.058 45.076 45.100 0.057 0.000 0.627 131 G HN 0.482 nan 8.290 nan 0.000 0.501 132 L N 3.957 125.218 121.223 0.062 0.000 2.455 132 L HA 0.398 4.738 4.340 -0.001 0.000 0.272 132 L C -1.168 175.756 176.870 0.090 0.000 1.174 132 L CA -1.291 53.598 54.840 0.081 0.000 0.869 132 L CB 0.139 42.241 42.059 0.073 0.000 1.130 132 L HN 0.091 nan 8.230 nan 0.000 0.474 133 P HA 0.122 nan 4.420 nan 0.000 0.272 133 P C -0.733 176.637 177.300 0.116 0.000 1.223 133 P CA -0.633 62.542 63.100 0.126 0.000 0.784 133 P CB 0.759 32.553 31.700 0.157 0.000 0.923 134 M N 3.018 122.680 119.600 0.104 0.000 2.209 134 M HA 0.276 4.755 4.480 -0.001 0.000 0.355 134 M C -1.414 174.972 176.300 0.143 0.000 1.171 134 M CA -0.547 54.827 55.300 0.124 0.000 1.069 134 M CB 0.741 33.411 32.600 0.116 0.000 1.622 134 M HN -0.007 nan 8.290 nan 0.000 0.459 135 V N 6.538 126.573 119.914 0.203 0.000 2.318 135 V HA 0.336 4.455 4.120 -0.001 0.000 0.271 135 V C -0.264 175.993 176.094 0.272 0.000 1.030 135 V CA -0.922 61.520 62.300 0.238 0.000 0.844 135 V CB 0.778 32.799 31.823 0.331 0.000 1.015 135 V HN 0.714 nan 8.190 nan 0.000 0.460 136 V N 5.642 125.650 119.914 0.157 0.000 2.585 136 V HA 0.062 4.182 4.120 -0.001 0.000 0.296 136 V C -0.252 176.021 176.094 0.298 0.000 1.035 136 V CA -0.046 62.337 62.300 0.137 0.000 1.084 136 V CB 0.437 32.157 31.823 -0.172 0.000 0.953 136 V HN 0.735 nan 8.190 nan 0.000 0.483 137 Y N 6.094 126.552 120.300 0.263 0.000 2.356 137 Y HA 0.377 4.926 4.550 -0.001 0.000 0.334 137 Y C -0.014 175.987 175.900 0.168 0.000 0.958 137 Y CA -1.793 56.434 58.100 0.211 0.000 1.196 137 Y CB 0.967 39.607 38.460 0.300 0.000 1.137 137 Y HN 0.744 nan 8.280 nan 0.000 0.485 138 N N 7.395 126.240 118.700 0.241 0.000 2.444 138 N HA 0.380 5.120 4.740 -0.001 0.000 0.262 138 N C -1.412 174.073 175.510 -0.042 0.000 0.974 138 N CA -0.227 52.848 53.050 0.042 0.000 0.933 138 N CB 0.740 39.259 38.487 0.053 0.000 1.137 138 N HN 0.831 nan 8.380 nan 0.000 0.498 139 I N 6.180 126.644 120.570 -0.177 0.000 2.796 139 I HA 0.326 4.495 4.170 -0.001 0.000 0.277 139 I C -2.125 173.933 176.117 -0.098 0.000 1.331 139 I CA -2.133 59.068 61.300 -0.166 0.000 0.983 139 I CB 1.502 39.320 38.000 -0.304 0.000 1.410 139 I HN 0.427 nan 8.210 nan 0.000 0.561 140 P HA -0.145 nan 4.420 nan 0.000 0.216 140 P C 1.573 178.872 177.300 -0.001 0.000 1.150 140 P CA 1.521 64.616 63.100 -0.008 0.000 0.837 140 P CB 0.163 31.874 31.700 0.017 0.000 0.786 141 A N -0.555 122.287 122.820 0.037 0.000 1.948 141 A HA -0.168 4.152 4.320 -0.001 0.000 0.220 141 A C 2.207 179.788 177.584 -0.005 0.000 1.177 141 A CA 1.670 53.735 52.037 0.047 0.000 0.636 141 A CB -1.407 17.674 19.000 0.135 0.000 0.815 141 A HN 0.177 nan 8.150 nan 0.000 0.449 142 L N -0.919 120.275 121.223 -0.047 0.000 2.425 142 L HA -0.001 4.339 4.340 -0.001 0.000 0.215 142 L C 2.776 179.535 176.870 -0.185 0.000 1.065 142 L CA 1.042 55.812 54.840 -0.116 0.000 0.842 142 L CB -0.304 41.673 42.059 -0.137 0.000 1.033 142 L HN 0.536 nan 8.230 nan 0.000 0.474 143 S N -0.080 115.523 115.700 -0.161 0.000 2.436 143 S HA -0.006 4.464 4.470 -0.001 0.000 0.228 143 S C 1.748 176.349 174.600 0.001 0.000 1.014 143 S CA 0.831 58.969 58.200 -0.102 0.000 0.950 143 S CB -0.023 63.150 63.200 -0.044 0.000 0.784 143 S HN 0.519 nan 8.310 nan 0.000 0.504 144 G N 0.275 109.064 108.800 -0.018 0.000 2.189 144 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.267 144 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.267 144 G C 0.076 174.990 174.900 0.023 0.000 0.975 144 G CA 0.267 45.365 45.100 -0.004 0.000 0.644 144 G HN 0.811 nan 8.290 nan 0.000 0.537 145 V N 0.885 120.821 119.914 0.038 0.000 2.406 145 V HA 0.439 4.558 4.120 -0.001 0.000 0.272 145 V C 0.485 176.583 176.094 0.008 0.000 1.043 145 V CA -0.091 62.236 62.300 0.045 0.000 0.915 145 V CB 1.492 33.340 31.823 0.042 0.000 0.988 145 V HN 0.285 nan 8.190 nan 0.000 0.466 146 K N 6.215 126.621 120.400 0.011 0.000 2.499 146 K HA 0.478 4.798 4.320 -0.001 0.000 0.215 146 K C -0.877 175.712 176.600 -0.018 0.000 1.041 146 K CA -0.356 55.929 56.287 -0.003 0.000 1.031 146 K CB 0.922 33.423 32.500 0.002 0.000 1.479 146 K HN 0.541 nan 8.250 nan 0.000 0.518 147 L N 2.015 123.216 121.223 -0.036 0.000 2.380 147 L HA 0.136 4.475 4.340 -0.001 0.000 0.273 147 L C 1.273 178.090 176.870 -0.089 0.000 1.138 147 L CA -0.271 54.526 54.840 -0.072 0.000 0.832 147 L CB 0.476 42.499 42.059 -0.059 0.000 1.124 147 L HN 0.530 nan 8.230 nan 0.000 0.454 148 T N -0.541 113.930 114.554 -0.138 0.000 2.766 148 T HA 0.106 4.455 4.350 -0.001 0.000 0.295 148 T C 0.955 175.580 174.700 -0.125 0.000 1.024 148 T CA -0.694 61.332 62.100 -0.123 0.000 1.018 148 T CB 0.978 69.762 68.868 -0.139 0.000 1.002 148 T HN 0.489 nan 8.240 nan 0.000 0.532 149 L N 0.433 121.594 121.223 -0.103 0.000 2.083 149 L HA -0.006 4.334 4.340 -0.001 0.000 0.209 149 L C 1.991 178.811 176.870 -0.083 0.000 1.083 149 L CA 1.909 56.694 54.840 -0.091 0.000 0.752 149 L CB -1.092 40.902 42.059 -0.108 0.000 0.899 149 L HN 0.693 nan 8.230 nan 0.000 0.433 150 D N -0.782 119.554 120.400 -0.105 0.000 2.144 150 D HA -0.194 4.446 4.640 -0.001 0.000 0.199 150 D C 2.197 178.401 176.300 -0.161 0.000 0.984 150 D CA 1.193 55.132 54.000 -0.101 0.000 0.834 150 D CB 0.016 40.754 40.800 -0.104 0.000 0.955 150 D HN 0.546 nan 8.370 nan 0.000 0.465 151 Q N -0.153 119.457 119.800 -0.317 0.000 2.083 151 Q HA 0.000 4.340 4.340 -0.001 0.000 0.198 151 Q C 2.462 178.374 176.000 -0.146 0.000 0.969 151 Q CA 0.544 55.977 55.803 -0.617 0.000 0.838 151 Q CB 0.117 28.255 28.738 -1.001 0.000 0.900 151 Q HN 0.317 nan 8.270 nan 0.000 0.436 152 I N 1.327 121.846 120.570 -0.084 0.000 2.208 152 I HA -0.310 3.860 4.170 -0.001 0.000 0.245 152 I C 1.716 177.845 176.117 0.020 0.000 1.097 152 I CA 0.818 62.111 61.300 -0.011 0.000 1.363 152 I CB -0.336 37.650 38.000 -0.024 0.000 1.051 152 I HN 0.255 nan 8.210 nan 0.000 0.413 153 N N 0.400 119.138 118.700 0.062 0.000 2.120 153 N HA -0.135 4.605 4.740 -0.001 0.000 0.188 153 N C 1.852 177.428 175.510 0.110 0.000 1.024 153 N CA 1.791 54.943 53.050 0.170 0.000 0.852 153 N CB -0.661 37.926 38.487 0.167 0.000 1.003 153 N HN 0.306 nan 8.380 nan 0.000 0.424 154 T N 2.012 116.635 114.554 0.115 0.000 2.708 154 T HA 0.009 4.359 4.350 -0.001 0.000 0.266 154 T C 2.122 176.892 174.700 0.117 0.000 1.037 154 T CA 0.530 62.725 62.100 0.159 0.000 1.146 154 T CB -0.237 68.826 68.868 0.325 0.000 0.865 154 T HN 0.123 nan 8.240 nan 0.000 0.435 155 L N 1.391 122.706 121.223 0.154 0.000 1.994 155 L HA -0.094 4.246 4.340 -0.001 0.000 0.208 155 L C 2.740 179.538 176.870 -0.119 0.000 1.071 155 L CA 1.425 56.261 54.840 -0.006 0.000 0.745 155 L CB -0.708 41.327 42.059 -0.039 0.000 0.892 155 L HN 0.275 nan 8.230 nan 0.000 0.431 156 V N -3.605 116.228 119.914 -0.135 0.000 3.305 156 V HA -0.088 4.032 4.120 -0.001 0.000 0.269 156 V C 1.784 177.814 176.094 -0.106 0.000 1.157 156 V CA 1.570 63.758 62.300 -0.187 0.000 1.157 156 V CB -1.080 30.537 31.823 -0.344 0.000 0.772 156 V HN 0.607 nan 8.190 nan 0.000 0.498 157 T N -2.335 112.129 114.554 -0.150 0.000 3.129 157 T HA 0.433 4.783 4.350 -0.001 0.000 0.267 157 T C 0.356 174.939 174.700 -0.195 0.000 1.018 157 T CA -0.369 61.565 62.100 -0.277 0.000 0.903 157 T CB -0.457 68.127 68.868 -0.473 0.000 1.067 157 T HN 0.393 nan 8.240 nan 0.000 0.549 158 L N 2.229 123.378 121.223 -0.123 0.000 2.485 158 L HA 0.284 4.623 4.340 -0.001 0.000 0.275 158 L C -2.123 174.645 176.870 -0.171 0.000 1.207 158 L CA -2.022 52.756 54.840 -0.102 0.000 0.855 158 L CB -0.039 41.971 42.059 -0.081 0.000 1.114 158 L HN -0.003 nan 8.230 nan 0.000 0.485 159 P HA 0.020 nan 4.420 nan 0.000 0.261 159 P C 0.712 177.698 177.300 -0.523 0.000 1.183 159 P CA 0.840 63.705 63.100 -0.391 0.000 0.761 159 P CB 0.665 32.314 31.700 -0.086 0.000 0.785 160 G N 1.409 109.592 108.800 -1.029 0.000 2.194 160 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.236 160 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.236 160 G C 0.014 174.828 174.900 -0.143 0.000 0.987 160 G CA -0.235 44.631 45.100 -0.390 0.000 0.635 160 G HN 0.524 nan 8.290 nan 0.000 0.520 161 V N 1.197 121.024 119.914 -0.145 0.000 2.488 161 V HA 0.605 4.725 4.120 -0.001 0.000 0.277 161 V C 1.416 177.565 176.094 0.091 0.000 1.046 161 V CA 0.959 63.249 62.300 -0.017 0.000 0.986 161 V CB 1.396 33.186 31.823 -0.054 0.000 0.989 161 V HN 0.688 nan 8.190 nan 0.000 0.475 162 G N 2.795 111.651 108.800 0.094 0.000 3.274 162 G HA2 0.655 4.615 3.960 -0.001 0.000 0.250 162 G HA3 0.655 4.615 3.960 -0.001 0.000 0.250 162 G C 0.134 175.024 174.900 -0.017 0.000 1.024 162 G CA 0.707 45.872 45.100 0.109 0.000 0.840 162 G HN 1.067 nan 8.290 nan 0.000 0.522 163 A N -0.846 121.952 122.820 -0.037 0.000 2.566 163 A HA 0.753 5.072 4.320 -0.001 0.000 0.290 163 A C -2.138 175.420 177.584 -0.044 0.000 1.071 163 A CA -0.487 51.495 52.037 -0.091 0.000 0.658 163 A CB 1.257 20.265 19.000 0.013 0.000 1.285 163 A HN 0.724 nan 8.150 nan 0.000 0.427 167 T N 1.649 116.188 114.554 -0.025 0.000 3.766 167 T HA 0.523 4.873 4.350 -0.001 0.000 0.327 167 T C -0.551 174.049 174.700 -0.166 0.000 1.595 167 T CA 0.250 62.193 62.100 -0.263 0.000 1.204 167 T CB 0.029 68.727 68.868 -0.283 0.000 1.245 167 T HN 0.384 nan 8.240 nan 0.000 0.875 168 S N 0.612 116.356 115.700 0.072 0.000 2.540 168 S HA 0.610 5.079 4.470 -0.001 0.000 0.275 168 S C 1.024 175.837 174.600 0.355 0.000 1.123 168 S CA -0.598 57.763 58.200 0.268 0.000 0.907 168 S CB 1.560 64.838 63.200 0.129 0.000 1.081 168 S HN 0.457 nan 8.310 nan 0.000 0.476 169 G N 1.498 110.482 108.800 0.306 0.000 3.141 169 G HA2 0.124 4.084 3.960 -0.001 0.000 0.218 169 G HA3 0.124 4.084 3.960 -0.001 0.000 0.218 169 G C 0.029 174.987 174.900 0.097 0.000 1.170 169 G CA -0.135 45.054 45.100 0.149 0.000 0.769 169 G HN 0.684 nan 8.290 nan 0.000 0.546 170 D N 1.004 121.466 120.400 0.104 0.000 2.422 170 D HA 0.164 4.803 4.640 -0.001 0.000 0.227 170 D C 1.390 177.745 176.300 0.091 0.000 1.190 170 D CA -0.371 53.683 54.000 0.090 0.000 0.905 170 D CB 0.490 41.337 40.800 0.078 0.000 1.034 170 D HN 0.071 nan 8.370 nan 0.000 0.507 171 L N 3.519 124.801 121.223 0.098 0.000 2.558 171 L HA -0.050 4.290 4.340 -0.001 0.000 0.225 171 L C 1.560 178.512 176.870 0.137 0.000 1.128 171 L CA 0.008 54.902 54.840 0.091 0.000 0.868 171 L CB -0.316 41.785 42.059 0.070 0.000 1.006 171 L HN 0.434 nan 8.230 nan 0.000 0.454 172 Y N 1.458 121.764 120.300 0.009 0.000 2.184 172 Y HA -0.269 4.281 4.550 0.001 0.000 0.290 172 Y C 2.623 178.526 175.900 0.005 0.000 1.129 172 Y CA 1.728 59.831 58.100 0.004 0.000 1.144 172 Y CB -0.409 38.053 38.460 0.002 0.000 0.995 172 Y HN 0.178 nan 8.280 nan 0.000 0.513 173 Q N -0.559 119.186 119.800 -0.093 0.000 2.124 173 Q HA -0.250 4.090 4.340 -0.001 0.000 0.202 173 Q C 2.302 178.249 176.000 -0.088 0.000 0.977 173 Q CA 1.988 57.678 55.803 -0.189 0.000 0.850 173 Q CB -0.222 28.453 28.738 -0.106 0.000 0.901 173 Q HN 0.539 nan 8.270 nan 0.000 0.429 174 M N 0.802 120.392 119.600 -0.017 0.000 2.080 174 M HA -0.214 4.265 4.480 -0.001 0.000 0.260 174 M C 1.929 178.220 176.300 -0.013 0.000 1.068 174 M CA 1.800 57.097 55.300 -0.006 0.000 1.109 174 M CB -0.309 32.299 32.600 0.014 0.000 1.342 174 M HN 0.201 nan 8.290 nan 0.000 0.405 175 E N -0.170 120.033 120.200 0.005 0.000 2.077 175 E HA -0.241 4.108 4.350 -0.001 0.000 0.193 175 E C 1.937 178.524 176.600 -0.022 0.000 0.989 175 E CA 1.751 58.159 56.400 0.013 0.000 0.800 175 E CB -0.289 29.453 29.700 0.070 0.000 0.746 175 E HN 0.727 nan 8.360 nan 0.000 0.452 176 Q N 0.051 119.799 119.800 -0.086 0.000 2.096 176 Q HA -0.150 4.189 4.340 -0.001 0.000 0.204 176 Q C 2.483 178.434 176.000 -0.082 0.000 0.982 176 Q CA 1.625 57.349 55.803 -0.132 0.000 0.850 176 Q CB -0.148 28.415 28.738 -0.292 0.000 0.901 176 Q HN 0.366 nan 8.270 nan 0.000 0.422 177 I N 0.276 120.820 120.570 -0.044 0.000 2.179 177 I HA -0.282 3.887 4.170 -0.001 0.000 0.242 177 I C 2.545 178.700 176.117 0.063 0.000 1.088 177 I CA 0.985 62.315 61.300 0.050 0.000 1.357 177 I CB -0.184 37.839 38.000 0.039 0.000 1.051 177 I HN 0.103 nan 8.210 nan 0.000 0.409 178 R N 1.552 122.056 120.500 0.008 0.000 2.091 178 R HA -0.206 4.134 4.340 -0.001 0.000 0.238 178 R C 2.282 178.574 176.300 -0.014 0.000 1.136 178 R CA 1.791 57.890 56.100 -0.002 0.000 0.959 178 R CB -0.621 29.669 30.300 -0.017 0.000 0.856 178 R HN 0.232 nan 8.270 nan 0.000 0.437 179 R N -0.211 120.269 120.500 -0.033 0.000 2.092 179 R HA -0.120 4.220 4.340 -0.001 0.000 0.231 179 R C 1.952 178.195 176.300 -0.095 0.000 1.119 179 R CA 1.817 57.889 56.100 -0.047 0.000 0.970 179 R CB -0.265 30.014 30.300 -0.036 0.000 0.864 179 R HN 0.277 nan 8.270 nan 0.000 0.440 180 E N -0.222 119.872 120.200 -0.177 0.000 2.152 180 E HA -0.112 4.238 4.350 -0.001 0.000 0.192 180 E C -0.364 175.942 176.600 -0.489 0.000 0.983 180 E CA 1.247 57.417 56.400 -0.383 0.000 0.818 180 E CB 0.208 29.569 29.700 -0.564 0.000 0.758 180 E HN 0.557 nan 8.360 nan 0.000 0.467 181 H N -0.845 118.236 119.070 0.017 0.000 2.423 181 H HA 0.224 4.780 4.556 -0.001 0.000 0.237 181 H C -1.993 173.333 175.328 -0.003 0.000 1.391 181 H CA -1.813 54.265 56.048 0.050 0.000 1.453 181 H CB 1.386 31.169 29.762 0.035 0.000 1.484 181 H HN 0.097 nan 8.280 nan 0.000 0.505 182 P HA -0.137 nan 4.420 nan 0.000 0.222 182 P C 0.484 177.785 177.300 0.003 0.000 1.147 182 P CA 1.164 64.278 63.100 0.022 0.000 0.790 182 P CB 0.601 32.309 31.700 0.014 0.000 0.780 183 D N -1.213 119.186 120.400 -0.002 0.000 2.398 183 D HA 0.082 4.722 4.640 -0.001 0.000 0.210 183 D C 0.522 176.752 176.300 -0.116 0.000 1.094 183 D CA -0.273 53.686 54.000 -0.068 0.000 0.839 183 D CB 0.304 40.966 40.800 -0.230 0.000 0.963 183 D HN 0.114 nan 8.370 nan 0.000 0.506 184 L N 2.040 123.152 121.223 -0.185 0.000 2.410 184 L HA 0.052 4.391 4.340 -0.001 0.000 0.273 184 L C -0.153 176.539 176.870 -0.297 0.000 1.144 184 L CA -0.026 54.548 54.840 -0.444 0.000 0.863 184 L CB 1.012 42.743 42.059 -0.547 0.000 1.140 184 L HN -0.301 nan 8.230 nan 0.000 0.463 185 V N 6.849 126.576 119.914 -0.310 0.000 2.529 185 V HA 0.085 4.205 4.120 -0.001 0.000 0.292 185 V C 0.043 175.865 176.094 -0.454 0.000 1.028 185 V CA -0.033 62.053 62.300 -0.358 0.000 1.074 185 V CB 0.812 32.426 31.823 -0.347 0.000 0.958 185 V HN 0.601 nan 8.190 nan 0.000 0.481 186 L N 7.867 128.818 121.223 -0.453 0.000 2.485 186 L HA 0.499 4.839 4.340 -0.001 0.000 0.260 186 L C -1.050 175.662 176.870 -0.264 0.000 0.998 186 L CA -0.275 54.384 54.840 -0.303 0.000 0.883 186 L CB 1.049 43.004 42.059 -0.173 0.000 1.196 186 L HN 0.504 nan 8.230 nan 0.000 0.443 187 Y N 2.502 122.778 120.300 -0.040 0.000 2.336 187 Y HA 0.339 4.889 4.550 -0.001 0.000 0.335 187 Y C 0.853 176.735 175.900 -0.030 0.000 1.046 187 Y CA -0.308 57.777 58.100 -0.026 0.000 1.198 187 Y CB 0.685 39.108 38.460 -0.063 0.000 1.182 187 Y HN 0.643 nan 8.280 nan 0.000 0.502 188 N N 1.362 120.153 118.700 0.152 0.000 2.475 188 N HA 0.184 4.924 4.740 -0.001 0.000 0.267 188 N C 0.929 176.510 175.510 0.119 0.000 1.169 188 N CA 0.478 53.595 53.050 0.113 0.000 0.947 188 N CB 0.828 39.360 38.487 0.076 0.000 1.061 188 N HN 0.886 nan 8.380 nan 0.000 0.466 189 G N 2.070 110.884 108.800 0.022 0.000 2.709 189 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.208 189 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.208 189 G C -0.444 174.357 174.900 -0.165 0.000 1.129 189 G CA 0.110 45.128 45.100 -0.137 0.000 0.793 189 G HN 0.526 nan 8.290 nan 0.000 0.524 190 Y N 2.116 122.460 120.300 0.073 0.000 2.404 190 Y HA 0.293 4.843 4.550 -0.001 0.000 0.344 190 Y C 0.761 176.746 175.900 0.141 0.000 0.970 190 Y CA -1.508 56.639 58.100 0.078 0.000 1.180 190 Y CB 1.422 39.926 38.460 0.075 0.000 1.138 190 Y HN 0.003 nan 8.280 nan 0.000 0.510 191 D N 1.164 121.732 120.400 0.280 0.000 2.178 191 D HA -0.195 4.444 4.640 -0.001 0.000 0.201 191 D C 1.433 177.962 176.300 0.381 0.000 0.980 191 D CA 1.424 55.603 54.000 0.298 0.000 0.842 191 D CB -0.115 40.793 40.800 0.180 0.000 0.948 191 D HN 0.628 nan 8.370 nan 0.000 0.472 192 N N 0.986 119.849 118.700 0.272 0.000 2.571 192 N HA -0.097 4.642 4.740 -0.001 0.000 0.189 192 N C 1.350 176.968 175.510 0.181 0.000 1.154 192 N CA 0.365 53.532 53.050 0.195 0.000 0.907 192 N CB -0.628 37.921 38.487 0.104 0.000 0.977 192 N HN 0.439 nan 8.380 nan 0.000 0.449 193 I N -6.042 114.668 120.570 0.233 0.000 3.966 193 I HA 0.388 4.558 4.170 -0.001 0.000 0.324 193 I C 0.905 177.164 176.117 0.236 0.000 1.517 193 I CA -0.758 60.655 61.300 0.188 0.000 1.117 193 I CB -0.267 37.812 38.000 0.133 0.000 1.190 193 I HN -0.218 nan 8.210 nan 0.000 0.466 194 F N 3.187 123.249 119.950 0.187 0.000 2.063 194 F HA -0.326 4.200 4.527 -0.001 0.000 0.298 194 F C 2.510 178.390 175.800 0.135 0.000 1.105 194 F CA 2.800 60.919 58.000 0.199 0.000 1.215 194 F CB -0.086 39.120 39.000 0.343 0.000 0.972 194 F HN 0.232 nan 8.300 nan 0.000 0.483 195 A N -0.889 122.072 122.820 0.234 0.000 1.902 195 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 195 A C 2.324 179.903 177.584 -0.008 0.000 1.181 195 A CA 2.107 54.193 52.037 0.082 0.000 0.623 195 A CB -1.246 17.827 19.000 0.121 0.000 0.818 195 A HN 0.459 nan 8.150 nan 0.000 0.443 196 S N -0.550 115.166 115.700 0.027 0.000 2.402 196 S HA -0.004 4.465 4.470 -0.001 0.000 0.229 196 S C 2.017 176.608 174.600 -0.015 0.000 1.021 196 S CA 0.910 59.117 58.200 0.013 0.000 0.974 196 S CB -0.468 62.753 63.200 0.036 0.000 0.800 196 S HN 0.765 nan 8.310 nan 0.000 0.484 197 G N 1.809 110.589 108.800 -0.035 0.000 2.402 197 G HA2 -0.087 3.872 3.960 -0.001 0.000 0.216 197 G HA3 -0.087 3.872 3.960 -0.001 0.000 0.216 197 G C 1.321 176.143 174.900 -0.129 0.000 1.162 197 G CA 0.403 45.467 45.100 -0.060 0.000 0.777 197 G HN 0.401 nan 8.290 nan 0.000 0.539 198 L N -0.396 120.682 121.223 -0.242 0.000 1.989 198 L HA -0.084 4.256 4.340 -0.001 0.000 0.211 198 L C 2.753 179.558 176.870 -0.109 0.000 1.071 198 L CA 0.767 55.470 54.840 -0.228 0.000 0.749 198 L CB -0.552 41.320 42.059 -0.313 0.000 0.890 198 L HN 0.211 nan 8.230 nan 0.000 0.431 199 L N 0.359 121.537 121.223 -0.075 0.000 2.042 199 L HA -0.197 4.143 4.340 -0.001 0.000 0.210 199 L C 2.581 179.437 176.870 -0.023 0.000 1.076 199 L CA 2.055 56.874 54.840 -0.035 0.000 0.749 199 L CB -0.672 41.376 42.059 -0.017 0.000 0.893 199 L HN 0.183 nan 8.230 nan 0.000 0.432 200 A N -1.812 120.996 122.820 -0.021 0.000 2.067 200 A HA 0.283 4.602 4.320 -0.001 0.000 0.219 200 A C 1.852 179.429 177.584 -0.012 0.000 1.158 200 A CA 1.259 53.295 52.037 -0.002 0.000 0.661 200 A CB -0.559 18.449 19.000 0.014 0.000 0.801 200 A HN 0.731 nan 8.150 nan 0.000 0.452 201 G N -2.996 105.783 108.800 -0.035 0.000 2.613 201 G HA2 0.291 4.250 3.960 -0.001 0.000 0.199 201 G HA3 0.291 4.250 3.960 -0.001 0.000 0.199 201 G C 0.378 175.241 174.900 -0.062 0.000 0.991 201 G CA 0.024 45.100 45.100 -0.040 0.000 0.756 201 G HN 1.296 nan 8.290 nan 0.000 0.515 202 A N 1.180 123.953 122.820 -0.079 0.000 2.483 202 A HA 0.483 4.803 4.320 -0.001 0.000 0.238 202 A C 0.986 178.501 177.584 -0.115 0.000 1.070 202 A CA 1.140 53.116 52.037 -0.101 0.000 0.770 202 A CB 0.236 19.169 19.000 -0.111 0.000 1.008 202 A HN 0.745 nan 8.150 nan 0.000 0.497 203 D N 0.333 120.665 120.400 -0.114 0.000 2.538 203 D HA 0.441 5.080 4.640 -0.001 0.000 0.231 203 D C 0.368 176.646 176.300 -0.036 0.000 1.229 203 D CA 0.551 54.501 54.000 -0.083 0.000 0.828 203 D CB -0.034 40.716 40.800 -0.084 0.000 1.035 203 D HN 0.908 nan 8.370 nan 0.000 0.495 204 G N -1.769 107.028 108.800 -0.005 0.000 2.325 204 G HA2 0.556 4.515 3.960 -0.001 0.000 0.295 204 G HA3 0.556 4.515 3.960 -0.001 0.000 0.295 204 G C -1.109 173.993 174.900 0.336 0.000 1.274 204 G CA -0.341 44.876 45.100 0.194 0.000 0.857 204 G HN 0.550 nan 8.290 nan 0.000 0.499 205 G N -1.267 107.887 108.800 0.590 0.000 2.677 205 G HA2 0.654 4.614 3.960 -0.001 0.000 0.291 205 G HA3 0.654 4.614 3.960 -0.001 0.000 0.291 205 G C -1.742 173.365 174.900 0.345 0.000 1.435 205 G CA -0.607 44.846 45.100 0.589 0.000 0.826 205 G HN 0.784 nan 8.290 nan 0.000 0.491 206 I N 0.548 121.092 120.570 -0.045 0.000 2.499 206 I HA 0.689 4.859 4.170 -0.001 0.000 0.288 206 I C 0.244 175.891 176.117 -0.785 0.000 1.048 206 I CA -0.617 60.387 61.300 -0.493 0.000 1.062 206 I CB 2.376 39.893 38.000 -0.804 0.000 1.238 206 I HN 0.808 nan 8.210 nan 0.000 0.426 207 G N 2.070 109.999 108.800 -1.452 0.000 2.720 207 G HA2 0.364 4.323 3.960 -0.001 0.000 0.295 207 G HA3 0.364 4.323 3.960 -0.001 0.000 0.295 207 G C 0.282 174.603 174.900 -0.965 0.000 1.437 207 G CA -0.026 44.283 45.100 -1.318 0.000 0.886 207 G HN 0.593 nan 8.290 nan 0.000 0.509 208 S N -0.841 114.587 115.700 -0.453 0.000 2.387 208 S HA -0.135 4.335 4.470 -0.001 0.000 0.226 208 S C 2.226 176.759 174.600 -0.111 0.000 1.026 208 S CA 2.178 60.257 58.200 -0.202 0.000 0.972 208 S CB -0.558 62.650 63.200 0.013 0.000 0.814 208 S HN 1.259 nan 8.310 nan 0.000 0.477 209 T N -1.842 112.667 114.554 -0.074 0.000 3.118 209 T HA 0.067 4.417 4.350 -0.001 0.000 0.260 209 T C 1.359 176.157 174.700 0.162 0.000 1.139 209 T CA 0.221 62.365 62.100 0.074 0.000 1.085 209 T CB -0.699 68.260 68.868 0.150 0.000 0.934 209 T HN 0.366 nan 8.240 nan 0.000 0.518 210 Y N 2.595 122.787 120.300 -0.181 0.000 2.333 210 Y HA 0.046 4.595 4.550 -0.001 0.000 0.290 210 Y C 2.396 178.265 175.900 -0.052 0.000 1.144 210 Y CA -0.442 57.558 58.100 -0.167 0.000 1.228 210 Y CB -1.157 37.154 38.460 -0.248 0.000 0.985 210 Y HN 0.355 nan 8.280 nan 0.000 0.542 211 N N 0.749 119.529 118.700 0.133 0.000 2.205 211 N HA -0.161 4.579 4.740 -0.001 0.000 0.186 211 N C 1.686 177.342 175.510 0.243 0.000 1.015 211 N CA 2.010 55.153 53.050 0.155 0.000 0.862 211 N CB -0.217 38.318 38.487 0.080 0.000 0.986 211 N HN 0.570 nan 8.380 nan 0.000 0.429 212 I N -2.666 118.002 120.570 0.163 0.000 4.070 212 I HA 0.238 4.408 4.170 -0.001 0.000 0.328 212 I C 1.198 177.296 176.117 -0.031 0.000 1.298 212 I CA 0.161 61.578 61.300 0.195 0.000 1.173 212 I CB 0.256 38.335 38.000 0.132 0.000 1.051 212 I HN -0.088 nan 8.210 nan 0.000 0.409 213 M N -0.593 118.828 119.600 -0.299 0.000 4.050 213 M HA 0.513 4.992 4.480 -0.001 0.000 0.524 213 M C 0.895 176.687 176.300 -0.847 0.000 1.863 213 M CA -0.031 54.627 55.300 -1.071 0.000 0.644 213 M CB -0.094 32.056 32.600 -0.750 0.000 1.477 213 M HN -0.053 nan 8.290 nan 0.000 0.570 214 G N 1.715 110.302 108.800 -0.356 0.000 2.485 214 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.221 214 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.221 214 G C 0.885 175.679 174.900 -0.177 0.000 1.115 214 G CA 1.530 46.528 45.100 -0.170 0.000 0.751 214 G HN 0.957 nan 8.290 nan 0.000 0.567 215 W N 0.606 121.869 121.300 -0.061 0.000 2.425 215 W HA 0.168 4.827 4.660 -0.001 0.000 0.277 215 W C 2.280 178.726 176.519 -0.122 0.000 1.231 215 W CA 0.391 57.685 57.345 -0.086 0.000 1.248 215 W CB -0.230 29.183 29.460 -0.078 0.000 1.117 215 W HN 0.019 nan 8.180 nan 0.000 0.568 216 R N -0.253 119.871 120.500 -0.628 0.000 2.075 216 R HA -0.153 4.187 4.340 -0.001 0.000 0.232 216 R C 2.075 178.063 176.300 -0.519 0.000 1.126 216 R CA 2.003 57.783 56.100 -0.533 0.000 0.963 216 R CB -0.970 28.861 30.300 -0.782 0.000 0.858 216 R HN 0.296 nan 8.270 nan 0.000 0.435 217 Y N 0.900 120.891 120.300 -0.514 0.000 2.263 217 Y HA -0.136 4.414 4.550 -0.001 0.000 0.292 217 Y C 2.661 178.354 175.900 -0.345 0.000 1.130 217 Y CA 0.819 58.489 58.100 -0.716 0.000 1.179 217 Y CB -0.153 37.461 38.460 -1.410 0.000 0.998 217 Y HN -0.014 nan 8.280 nan 0.000 0.532 218 Q N -0.243 119.496 119.800 -0.102 0.000 2.084 218 Q HA -0.124 4.216 4.340 -0.001 0.000 0.202 218 Q C 2.614 178.641 176.000 0.045 0.000 0.978 218 Q CA 1.473 57.284 55.803 0.014 0.000 0.844 218 Q CB -1.004 27.758 28.738 0.040 0.000 0.898 218 Q HN 0.605 nan 8.270 nan 0.000 0.426 219 G N 0.794 109.606 108.800 0.020 0.000 2.432 219 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.219 219 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.219 219 G C 1.564 176.487 174.900 0.037 0.000 1.135 219 G CA 0.443 45.563 45.100 0.034 0.000 0.767 219 G HN 0.275 nan 8.290 nan 0.000 0.550 220 I N 0.268 120.863 120.570 0.041 0.000 2.202 220 I HA -0.133 4.037 4.170 -0.001 0.000 0.242 220 I C 2.754 178.972 176.117 0.168 0.000 1.091 220 I CA 0.398 61.771 61.300 0.122 0.000 1.368 220 I CB -0.227 37.911 38.000 0.230 0.000 1.058 220 I HN 0.014 nan 8.210 nan 0.000 0.410 221 V N 1.197 121.246 119.914 0.226 0.000 2.332 221 V HA -0.352 3.768 4.120 -0.001 0.000 0.248 221 V C 2.529 178.679 176.094 0.093 0.000 1.055 221 V CA 2.156 64.556 62.300 0.167 0.000 1.038 221 V CB -0.752 31.182 31.823 0.185 0.000 0.651 221 V HN 0.436 nan 8.190 nan 0.000 0.450 222 K N 0.192 120.640 120.400 0.080 0.000 2.025 222 K HA -0.158 4.162 4.320 -0.001 0.000 0.207 222 K C 2.246 178.873 176.600 0.045 0.000 1.049 222 K CA 1.512 57.832 56.287 0.055 0.000 0.933 222 K CB -0.382 32.147 32.500 0.048 0.000 0.714 222 K HN 0.398 nan 8.250 nan 0.000 0.438 223 A N 1.474 124.322 122.820 0.046 0.000 1.883 223 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 223 A C 2.152 179.756 177.584 0.033 0.000 1.186 223 A CA 1.520 53.578 52.037 0.036 0.000 0.624 223 A CB -0.705 18.315 19.000 0.034 0.000 0.822 223 A HN 0.350 nan 8.150 nan 0.000 0.444 224 L N -0.832 120.414 121.223 0.040 0.000 2.093 224 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 224 L C 2.663 179.547 176.870 0.022 0.000 1.085 224 L CA 1.760 56.617 54.840 0.028 0.000 0.755 224 L CB -0.432 41.642 42.059 0.024 0.000 0.904 224 L HN 0.463 nan 8.230 nan 0.000 0.435 225 K N 0.714 121.131 120.400 0.028 0.000 2.097 225 K HA -0.198 4.122 4.320 -0.001 0.000 0.206 225 K C 1.663 178.275 176.600 0.020 0.000 1.049 225 K CA 1.527 57.828 56.287 0.023 0.000 0.933 225 K CB 0.073 32.590 32.500 0.029 0.000 0.717 225 K HN 0.386 nan 8.250 nan 0.000 0.442 226 E N -1.009 119.204 120.200 0.021 0.000 2.481 226 E HA 0.007 4.357 4.350 -0.001 0.000 0.195 226 E C 0.647 177.256 176.600 0.015 0.000 1.047 226 E CA 0.397 56.807 56.400 0.017 0.000 0.867 226 E CB 0.237 29.948 29.700 0.018 0.000 0.858 226 E HN 0.591 nan 8.360 nan 0.000 0.513 227 G N 2.756 111.565 108.800 0.015 0.000 2.147 227 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.244 227 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.244 227 G C -0.192 174.715 174.900 0.013 0.000 1.005 227 G CA 0.356 45.464 45.100 0.012 0.000 0.713 227 G HN 0.283 nan 8.290 nan 0.000 0.515 228 D N 0.265 120.674 120.400 0.015 0.000 2.524 228 D HA 0.426 5.066 4.640 -0.001 0.000 0.222 228 D C 1.723 178.032 176.300 0.016 0.000 1.142 228 D CA -0.721 53.288 54.000 0.015 0.000 0.973 228 D CB -0.331 40.478 40.800 0.015 0.000 1.025 228 D HN 0.288 nan 8.370 nan 0.000 0.519 229 I N 1.515 122.093 120.570 0.014 0.000 2.394 229 I HA -0.219 3.950 4.170 -0.001 0.000 0.251 229 I C 2.253 178.379 176.117 0.014 0.000 1.136 229 I CA 0.542 61.851 61.300 0.014 0.000 1.425 229 I CB 0.033 38.040 38.000 0.012 0.000 1.079 229 I HN 0.375 nan 8.210 nan 0.000 0.425 230 Q N 0.326 120.133 119.800 0.012 0.000 2.079 230 Q HA -0.151 4.189 4.340 -0.001 0.000 0.200 230 Q C 2.293 178.299 176.000 0.011 0.000 0.974 230 Q CA 1.934 57.743 55.803 0.010 0.000 0.840 230 Q CB -0.427 28.316 28.738 0.009 0.000 0.898 230 Q HN 0.484 nan 8.270 nan 0.000 0.430 231 T N 1.370 115.931 114.554 0.012 0.000 2.746 231 T HA -0.102 4.247 4.350 -0.001 0.000 0.267 231 T C 1.932 176.639 174.700 0.012 0.000 1.039 231 T CA 1.277 63.384 62.100 0.012 0.000 1.142 231 T CB -0.238 68.639 68.868 0.015 0.000 0.866 231 T HN 0.388 nan 8.240 nan 0.000 0.444 232 A N 1.540 124.372 122.820 0.020 0.000 1.883 232 A HA -0.199 4.121 4.320 -0.001 0.000 0.217 232 A C 2.303 179.901 177.584 0.023 0.000 1.186 232 A CA 1.630 53.684 52.037 0.029 0.000 0.624 232 A CB -0.683 18.341 19.000 0.040 0.000 0.822 232 A HN 0.548 nan 8.150 nan 0.000 0.444 233 Q N -0.830 118.981 119.800 0.019 0.000 2.084 233 Q HA -0.166 4.174 4.340 -0.001 0.000 0.202 233 Q C 2.230 178.233 176.000 0.005 0.000 0.978 233 Q CA 1.376 57.188 55.803 0.016 0.000 0.844 233 Q CB -0.196 28.550 28.738 0.014 0.000 0.898 233 Q HN 0.517 nan 8.270 nan 0.000 0.426 234 K N 1.193 121.593 120.400 0.001 0.000 2.063 234 K HA -0.147 4.172 4.320 -0.001 0.000 0.208 234 K C 1.970 178.557 176.600 -0.022 0.000 1.048 234 K CA 1.162 57.446 56.287 -0.005 0.000 0.928 234 K CB -0.230 32.270 32.500 -0.000 0.000 0.713 234 K HN 0.223 nan 8.250 nan 0.000 0.442 235 L N 0.571 121.773 121.223 -0.035 0.000 2.056 235 L HA -0.188 4.151 4.340 -0.001 0.000 0.207 235 L C 2.800 179.596 176.870 -0.124 0.000 1.078 235 L CA 1.224 56.011 54.840 -0.088 0.000 0.749 235 L CB -0.430 41.568 42.059 -0.102 0.000 0.901 235 L HN 0.207 nan 8.230 nan 0.000 0.433 236 Q N -0.073 119.687 119.800 -0.067 0.000 2.096 236 Q HA -0.188 4.152 4.340 -0.001 0.000 0.204 236 Q C 2.058 178.042 176.000 -0.026 0.000 0.982 236 Q CA 2.461 58.243 55.803 -0.035 0.000 0.850 236 Q CB -0.370 28.395 28.738 0.044 0.000 0.901 236 Q HN 0.352 nan 8.270 nan 0.000 0.422 237 T N 0.986 115.530 114.554 -0.017 0.000 2.720 237 T HA -0.132 4.217 4.350 -0.001 0.000 0.268 237 T C 1.374 176.061 174.700 -0.021 0.000 1.037 237 T CA 1.425 63.519 62.100 -0.010 0.000 1.144 237 T CB -0.186 68.680 68.868 -0.004 0.000 0.864 237 T HN 0.324 nan 8.240 nan 0.000 0.444 238 E N 0.560 120.735 120.200 -0.041 0.000 2.106 238 E HA -0.060 4.289 4.350 -0.001 0.000 0.192 238 E C 2.598 179.158 176.600 -0.066 0.000 0.984 238 E CA 0.598 56.971 56.400 -0.045 0.000 0.806 238 E CB -0.669 29.003 29.700 -0.048 0.000 0.750 238 E HN 0.497 nan 8.360 nan 0.000 0.458 239 C N 1.209 120.437 119.300 -0.119 0.000 2.413 239 C HA -0.117 4.343 4.460 -0.001 0.000 0.276 239 C C 2.405 177.388 174.990 -0.011 0.000 1.236 239 C CA 0.772 59.718 59.018 -0.119 0.000 1.735 239 C CB -1.356 26.245 27.740 -0.231 0.000 2.031 239 C HN 0.514 nan 8.230 nan 0.000 0.474 240 N N 0.192 118.894 118.700 0.003 0.000 2.309 240 N HA -0.116 4.623 4.740 -0.001 0.000 0.182 240 N C 1.708 177.226 175.510 0.012 0.000 1.018 240 N CA 0.796 53.861 53.050 0.025 0.000 0.876 240 N CB -0.118 38.385 38.487 0.027 0.000 0.972 240 N HN 0.598 nan 8.380 nan 0.000 0.434 241 K N 0.649 121.051 120.400 0.003 0.000 2.097 241 K HA -0.073 4.246 4.320 -0.001 0.000 0.206 241 K C 1.969 178.572 176.600 0.005 0.000 1.049 241 K CA 0.856 57.146 56.287 0.004 0.000 0.933 241 K CB 0.020 32.522 32.500 0.003 0.000 0.717 241 K HN 0.000 nan 8.250 nan 0.000 0.442 242 V N 1.439 121.356 119.914 0.005 0.000 2.379 242 V HA -0.197 3.922 4.120 -0.001 0.000 0.245 242 V C 2.096 178.198 176.094 0.012 0.000 1.044 242 V CA 1.438 63.745 62.300 0.011 0.000 1.036 242 V CB -0.307 31.522 31.823 0.010 0.000 0.664 242 V HN 0.262 nan 8.190 nan 0.000 0.453 243 I N 0.239 120.824 120.570 0.025 0.000 2.208 243 I HA -0.259 3.911 4.170 -0.001 0.000 0.245 243 I C 2.294 178.410 176.117 -0.002 0.000 1.097 243 I CA 1.619 62.935 61.300 0.028 0.000 1.363 243 I CB -0.550 37.486 38.000 0.060 0.000 1.051 243 I HN 0.315 nan 8.210 nan 0.000 0.413 244 D N 0.773 121.170 120.400 -0.004 0.000 2.126 244 D HA -0.235 4.405 4.640 -0.001 0.000 0.190 244 D C 1.954 178.227 176.300 -0.045 0.000 1.001 244 D CA 1.357 55.346 54.000 -0.019 0.000 0.841 244 D CB -0.428 40.367 40.800 -0.010 0.000 0.949 244 D HN 0.173 nan 8.370 nan 0.000 0.446 245 L N 0.367 121.564 121.223 -0.044 0.000 2.046 245 L HA -0.071 4.269 4.340 -0.001 0.000 0.208 245 L C 2.126 178.915 176.870 -0.135 0.000 1.077 245 L CA 1.389 56.179 54.840 -0.084 0.000 0.747 245 L CB -0.550 41.484 42.059 -0.042 0.000 0.896 245 L HN 0.066 nan 8.230 nan 0.000 0.432 246 L N -1.102 120.072 121.223 -0.081 0.000 2.131 246 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 246 L C 2.509 179.313 176.870 -0.111 0.000 1.092 246 L CA 1.217 56.006 54.840 -0.084 0.000 0.759 246 L CB -0.454 41.586 42.059 -0.031 0.000 0.903 246 L HN 0.285 nan 8.230 nan 0.000 0.435 247 I N -0.223 120.292 120.570 -0.091 0.000 2.286 247 I HA -0.293 3.876 4.170 -0.001 0.000 0.248 247 I C 2.519 178.565 176.117 -0.119 0.000 1.115 247 I CA 1.352 62.599 61.300 -0.089 0.000 1.392 247 I CB -0.162 37.803 38.000 -0.058 0.000 1.065 247 I HN 0.207 nan 8.210 nan 0.000 0.418 248 K N 0.219 120.517 120.400 -0.171 0.000 2.025 248 K HA -0.158 4.161 4.320 -0.001 0.000 0.207 248 K C 2.105 178.459 176.600 -0.409 0.000 1.049 248 K CA 2.069 58.204 56.287 -0.254 0.000 0.933 248 K CB -0.288 32.016 32.500 -0.328 0.000 0.714 248 K HN 0.444 nan 8.250 nan 0.000 0.438 249 T N -2.151 112.104 114.554 -0.499 0.000 3.023 249 T HA 0.117 4.467 4.350 -0.001 0.000 0.266 249 T C 0.818 175.435 174.700 -0.138 0.000 1.093 249 T CA 0.366 62.208 62.100 -0.431 0.000 1.129 249 T CB -0.071 68.612 68.868 -0.309 0.000 0.899 249 T HN 0.317 nan 8.240 nan 0.000 0.491 250 G N -0.084 108.641 108.800 -0.126 0.000 3.209 250 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.686 250 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.686 250 G C 0.188 175.007 174.900 -0.136 0.000 1.065 250 G CA -0.509 44.531 45.100 -0.100 0.000 0.812 250 G HN 0.277 nan 8.290 nan 0.000 0.573 251 V N 3.167 122.955 119.914 -0.211 0.000 2.283 251 V HA -0.029 4.090 4.120 -0.001 0.000 0.243 251 V C 2.637 178.702 176.094 -0.048 0.000 1.039 251 V CA 2.554 64.757 62.300 -0.161 0.000 1.016 251 V CB -0.780 30.921 31.823 -0.203 0.000 0.650 251 V HN 0.685 nan 8.190 nan 0.000 0.449 252 F N 1.576 121.440 119.950 -0.143 0.000 2.113 252 F HA -0.094 4.433 4.527 -0.001 0.000 0.297 252 F C 2.658 178.357 175.800 -0.169 0.000 1.103 252 F CA 1.597 59.484 58.000 -0.188 0.000 1.248 252 F CB -1.289 37.520 39.000 -0.318 0.000 0.999 252 F HN 0.202 nan 8.300 nan 0.000 0.475 253 R N 0.425 120.918 120.500 -0.013 0.000 2.115 253 R HA -0.004 4.336 4.340 -0.001 0.000 0.230 253 R C 2.379 178.672 176.300 -0.011 0.000 1.111 253 R CA 1.419 57.505 56.100 -0.024 0.000 0.976 253 R CB -1.542 28.741 30.300 -0.029 0.000 0.870 253 R HN 0.291 nan 8.270 nan 0.000 0.445 254 G N 2.075 110.866 108.800 -0.014 0.000 2.418 254 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.217 254 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.217 254 G C 1.563 176.474 174.900 0.018 0.000 1.158 254 G CA 0.697 45.795 45.100 -0.003 0.000 0.771 254 G HN 0.185 nan 8.290 nan 0.000 0.545 255 L N -0.139 121.098 121.223 0.025 0.000 2.046 255 L HA -0.039 4.301 4.340 -0.001 0.000 0.208 255 L C 2.970 179.841 176.870 0.002 0.000 1.077 255 L CA 1.269 56.127 54.840 0.030 0.000 0.747 255 L CB -0.273 41.814 42.059 0.047 0.000 0.896 255 L HN 0.162 nan 8.230 nan 0.000 0.432 256 K N -0.705 119.686 120.400 -0.016 0.000 2.097 256 K HA -0.127 4.192 4.320 -0.001 0.000 0.206 256 K C 2.066 178.630 176.600 -0.060 0.000 1.049 256 K CA 1.746 58.005 56.287 -0.047 0.000 0.933 256 K CB -0.215 32.254 32.500 -0.051 0.000 0.717 256 K HN 0.292 nan 8.250 nan 0.000 0.442 257 T N 0.900 115.415 114.554 -0.064 0.000 2.777 257 T HA -0.096 4.254 4.350 -0.001 0.000 0.266 257 T C 2.011 176.654 174.700 -0.096 0.000 1.040 257 T CA 1.065 63.082 62.100 -0.138 0.000 1.141 257 T CB -0.160 68.669 68.868 -0.065 0.000 0.868 257 T HN -0.063 nan 8.240 nan 0.000 0.444 258 V N 1.658 121.600 119.914 0.046 0.000 2.287 258 V HA -0.134 3.986 4.120 -0.001 0.000 0.248 258 V C 2.459 178.583 176.094 0.051 0.000 1.053 258 V CA 1.539 63.917 62.300 0.130 0.000 1.027 258 V CB -0.687 31.206 31.823 0.116 0.000 0.646 258 V HN 0.434 nan 8.190 nan 0.000 0.447 259 L N -0.558 120.644 121.223 -0.035 0.000 2.265 259 L HA -0.189 4.151 4.340 -0.001 0.000 0.215 259 L C 2.548 179.329 176.870 -0.147 0.000 1.117 259 L CA 1.510 56.264 54.840 -0.143 0.000 0.782 259 L CB -0.795 41.167 42.059 -0.161 0.000 0.914 259 L HN 0.494 nan 8.230 nan 0.000 0.441 260 H N -0.443 118.487 119.070 -0.234 0.000 2.363 260 H HA -0.170 4.385 4.556 -0.001 0.000 0.301 260 H C 1.890 177.070 175.328 -0.245 0.000 1.074 260 H CA 1.755 57.627 56.048 -0.292 0.000 1.354 260 H CB 0.140 29.644 29.762 -0.430 0.000 1.397 260 H HN 0.285 nan 8.280 nan 0.000 0.516 261 Y N 0.079 120.416 120.300 0.062 0.000 2.516 261 Y HA 0.019 4.568 4.550 -0.001 0.000 0.291 261 Y C 2.417 178.290 175.900 -0.045 0.000 1.131 261 Y CA 0.413 58.523 58.100 0.017 0.000 1.281 261 Y CB -0.185 38.323 38.460 0.080 0.000 1.013 261 Y HN 0.160 nan 8.280 nan 0.000 0.554 262 M N -0.290 119.329 119.600 0.032 0.000 2.563 262 M HA -0.018 4.462 4.480 -0.001 0.000 0.231 262 M C -0.235 175.989 176.300 -0.127 0.000 1.136 262 M CA 0.670 55.940 55.300 -0.049 0.000 1.026 262 M CB 0.068 32.569 32.600 -0.165 0.000 1.597 262 M HN 0.124 nan 8.290 nan 0.000 0.495 263 D N -0.905 119.405 120.400 -0.150 0.000 2.945 263 D HA -0.149 4.490 4.640 -0.001 0.000 0.225 263 D C 0.735 176.925 176.300 -0.183 0.000 1.158 263 D CA 0.481 54.380 54.000 -0.168 0.000 0.805 263 D CB -1.462 39.285 40.800 -0.088 0.000 1.098 263 D HN 0.263 nan 8.370 nan 0.000 0.426 264 V N -0.917 118.850 119.914 -0.245 0.000 2.690 264 V HA 0.038 4.157 4.120 -0.001 0.000 0.240 264 V C 1.202 177.195 176.094 -0.168 0.000 1.078 264 V CA 0.567 62.724 62.300 -0.237 0.000 1.102 264 V CB 0.738 32.310 31.823 -0.418 0.000 0.800 264 V HN 0.058 nan 8.190 nan 0.000 0.479 265 V N 0.601 120.418 119.914 -0.162 0.000 2.398 265 V HA 0.309 4.428 4.120 -0.001 0.000 0.286 265 V C 1.081 177.152 176.094 -0.038 0.000 1.026 265 V CA 0.214 62.459 62.300 -0.091 0.000 0.868 265 V CB 1.517 33.296 31.823 -0.073 0.000 0.982 265 V HN 0.318 nan 8.190 nan 0.000 0.443 266 S N 3.419 119.114 115.700 -0.008 0.000 2.377 266 S HA 0.043 4.513 4.470 -0.001 0.000 0.223 266 S C 0.477 175.183 174.600 0.177 0.000 1.030 266 S CA 0.703 58.926 58.200 0.038 0.000 0.970 266 S CB 0.256 63.464 63.200 0.012 0.000 0.830 266 S HN 0.526 nan 8.310 nan 0.000 0.473 267 V N 3.429 123.407 119.914 0.107 0.000 2.447 267 V HA 0.314 4.434 4.120 -0.001 0.000 0.292 267 V C -2.447 173.657 176.094 0.016 0.000 1.021 267 V CA -1.508 60.826 62.300 0.058 0.000 0.850 267 V CB 1.921 33.775 31.823 0.052 0.000 1.005 267 V HN 0.115 nan 8.190 nan 0.000 0.426 268 P HA 0.233 nan 4.420 nan 0.000 0.236 268 P C -0.134 177.152 177.300 -0.023 0.000 1.709 268 P CA -0.036 63.023 63.100 -0.070 0.000 0.942 268 P CB 0.261 31.855 31.700 -0.176 0.000 1.615 269 L N -0.070 121.177 121.223 0.041 0.000 2.375 269 L HA 0.293 4.633 4.340 -0.001 0.000 0.271 269 L C 0.902 177.884 176.870 0.186 0.000 1.107 269 L CA -0.587 54.307 54.840 0.091 0.000 0.806 269 L CB 0.949 43.065 42.059 0.095 0.000 1.146 269 L HN 0.070 nan 8.230 nan 0.000 0.447 270 C N 1.522 120.915 119.300 0.155 0.000 2.347 270 C HA 0.392 4.852 4.460 -0.001 0.000 0.366 270 C C 0.782 175.900 174.990 0.213 0.000 1.241 270 C CA -0.764 58.385 59.018 0.218 0.000 2.360 270 C CB 1.024 28.741 27.740 -0.040 0.000 2.290 270 C HN 0.723 nan 8.230 nan 0.000 0.587 271 R N 1.164 121.778 120.500 0.190 0.000 2.441 271 R HA 0.192 4.532 4.340 -0.001 0.000 0.284 271 R C -0.149 176.254 176.300 0.171 0.000 1.070 271 R CA -0.443 55.652 56.100 -0.009 0.000 1.047 271 R CB 0.528 30.696 30.300 -0.220 0.000 1.016 271 R HN 0.548 nan 8.270 nan 0.000 0.477 272 K N 3.318 123.751 120.400 0.056 0.000 2.524 272 K HA -0.012 4.308 4.320 -0.001 0.000 0.279 272 K C -1.528 175.079 176.600 0.012 0.000 0.993 272 K CA -0.775 55.539 56.287 0.045 0.000 1.030 272 K CB 0.319 32.821 32.500 0.004 0.000 0.891 272 K HN 0.480 nan 8.250 nan 0.000 0.488 273 P HA 0.077 nan 4.420 nan 0.000 0.257 273 P C -0.291 176.972 177.300 -0.062 0.000 1.325 273 P CA -0.161 62.898 63.100 -0.068 0.000 0.850 273 P CB 0.144 31.778 31.700 -0.109 0.000 1.324 274 F N 1.418 121.395 119.950 0.045 0.000 2.578 274 F HA 0.321 4.847 4.527 -0.001 0.000 0.376 274 F C 1.837 177.662 175.800 0.041 0.000 1.085 274 F CA 0.580 58.613 58.000 0.055 0.000 1.260 274 F CB 0.154 39.212 39.000 0.097 0.000 1.095 274 F HN -0.058 nan 8.300 nan 0.000 0.573 275 G N 3.329 112.269 108.800 0.234 0.000 2.537 275 G HA2 0.592 4.552 3.960 -0.001 0.000 0.297 275 G HA3 0.592 4.552 3.960 -0.001 0.000 0.297 275 G C -2.621 172.361 174.900 0.137 0.000 1.310 275 G CA -1.277 43.909 45.100 0.143 0.000 1.027 275 G HN 0.420 nan 8.290 nan 0.000 0.505 276 P HA 0.272 nan 4.420 nan 0.000 0.276 276 P C -0.119 177.230 177.300 0.083 0.000 1.252 276 P CA -0.421 62.723 63.100 0.072 0.000 0.802 276 P CB 1.214 32.943 31.700 0.049 0.000 1.035 277 V N 1.973 121.932 119.914 0.074 0.000 2.673 277 V HA -0.043 4.077 4.120 -0.001 0.000 0.303 277 V C 1.129 177.300 176.094 0.129 0.000 1.046 277 V CA 0.285 62.653 62.300 0.114 0.000 1.126 277 V CB -0.302 31.583 31.823 0.103 0.000 0.934 277 V HN 0.621 nan 8.190 nan 0.000 0.487 278 D N 3.800 124.316 120.400 0.194 0.000 2.458 278 D HA -0.014 4.626 4.640 -0.001 0.000 0.243 278 D C 1.224 177.549 176.300 0.043 0.000 1.146 278 D CA 0.170 54.227 54.000 0.095 0.000 0.877 278 D CB 0.970 41.799 40.800 0.047 0.000 1.176 278 D HN 0.665 nan 8.370 nan 0.000 0.461 279 E N 2.824 123.020 120.200 -0.007 0.000 2.265 279 E HA -0.205 4.145 4.350 -0.001 0.000 0.196 279 E C 1.740 178.312 176.600 -0.045 0.000 0.996 279 E CA 0.659 57.059 56.400 -0.001 0.000 0.832 279 E CB 0.074 29.773 29.700 -0.002 0.000 0.756 279 E HN 0.610 nan 8.360 nan 0.000 0.491 280 K N 0.269 120.567 120.400 -0.170 0.000 2.280 280 K HA -0.149 4.170 4.320 -0.001 0.000 0.202 280 K C 1.107 177.584 176.600 -0.205 0.000 1.047 280 K CA 1.154 57.301 56.287 -0.233 0.000 0.942 280 K CB -0.191 32.096 32.500 -0.355 0.000 0.739 280 K HN 0.124 nan 8.250 nan 0.000 0.457 281 Y N 1.398 121.717 120.300 0.032 0.000 2.511 281 Y HA 0.170 4.720 4.550 -0.000 0.000 0.279 281 Y C 1.842 177.775 175.900 0.056 0.000 1.157 281 Y CA -0.258 57.865 58.100 0.039 0.000 1.300 281 Y CB -0.146 38.338 38.460 0.040 0.000 1.052 281 Y HN -0.064 nan 8.280 nan 0.000 0.529 282 L N 0.314 121.643 121.223 0.176 0.000 2.017 282 L HA -0.169 4.171 4.340 -0.001 0.000 0.208 282 L C -0.282 176.637 176.870 0.082 0.000 1.073 282 L CA 1.340 56.284 54.840 0.173 0.000 0.745 282 L CB -1.634 40.519 42.059 0.157 0.000 0.894 282 L HN 0.159 nan 8.230 nan 0.000 0.432 283 P HA -0.194 nan 4.420 nan 0.000 0.215 283 P C 1.307 178.610 177.300 0.005 0.000 1.157 283 P CA 1.395 64.488 63.100 -0.011 0.000 0.874 283 P CB 0.053 31.754 31.700 0.002 0.000 0.790 284 E N -0.757 119.481 120.200 0.064 0.000 2.077 284 E HA -0.146 4.204 4.350 -0.001 0.000 0.193 284 E C 2.023 178.667 176.600 0.074 0.000 0.989 284 E CA 0.931 57.375 56.400 0.074 0.000 0.800 284 E CB -0.588 29.183 29.700 0.118 0.000 0.746 284 E HN 0.207 nan 8.360 nan 0.000 0.452 285 L N 0.752 122.044 121.223 0.115 0.000 2.093 285 L HA -0.157 4.183 4.340 -0.001 0.000 0.208 285 L C 2.597 179.557 176.870 0.150 0.000 1.085 285 L CA 1.021 55.959 54.840 0.164 0.000 0.755 285 L CB -0.288 41.922 42.059 0.251 0.000 0.904 285 L HN 0.042 nan 8.230 nan 0.000 0.435 286 K N 0.489 120.853 120.400 -0.060 0.000 2.026 286 K HA -0.189 4.131 4.320 -0.001 0.000 0.208 286 K C 2.183 178.709 176.600 -0.124 0.000 1.048 286 K CA 1.360 57.416 56.287 -0.385 0.000 0.929 286 K CB -0.115 31.938 32.500 -0.746 0.000 0.713 286 K HN 0.244 nan 8.250 nan 0.000 0.439 287 A N 1.547 124.326 122.820 -0.069 0.000 1.917 287 A HA -0.202 4.118 4.320 -0.001 0.000 0.219 287 A C 2.054 179.653 177.584 0.026 0.000 1.182 287 A CA 1.607 53.634 52.037 -0.016 0.000 0.633 287 A CB -0.693 18.305 19.000 -0.002 0.000 0.819 287 A HN 0.412 nan 8.150 nan 0.000 0.448 288 L N -0.321 120.933 121.223 0.051 0.000 2.046 288 L HA -0.037 4.302 4.340 -0.001 0.000 0.208 288 L C 2.664 179.599 176.870 0.108 0.000 1.077 288 L CA 2.214 57.101 54.840 0.078 0.000 0.747 288 L CB -0.984 41.125 42.059 0.084 0.000 0.896 288 L HN 0.350 nan 8.230 nan 0.000 0.432 289 A N -1.031 121.864 122.820 0.125 0.000 1.908 289 A HA -0.276 4.044 4.320 -0.001 0.000 0.218 289 A C 2.185 179.845 177.584 0.128 0.000 1.181 289 A CA 1.964 54.096 52.037 0.158 0.000 0.627 289 A CB -0.580 18.553 19.000 0.222 0.000 0.818 289 A HN 0.669 nan 8.150 nan 0.000 0.445 290 Q N -1.075 118.771 119.800 0.077 0.000 2.046 290 Q HA -0.228 4.112 4.340 -0.001 0.000 0.200 290 Q C 2.391 178.434 176.000 0.072 0.000 0.975 290 Q CA 1.562 57.400 55.803 0.058 0.000 0.836 290 Q CB -0.237 28.513 28.738 0.020 0.000 0.896 290 Q HN 0.834 nan 8.270 nan 0.000 0.428 291 Q N 0.755 120.600 119.800 0.075 0.000 2.077 291 Q HA -0.210 4.129 4.340 -0.001 0.000 0.206 291 Q C 2.044 178.121 176.000 0.128 0.000 0.989 291 Q CA 1.296 57.149 55.803 0.084 0.000 0.853 291 Q CB -0.073 28.712 28.738 0.078 0.000 0.907 291 Q HN 0.405 nan 8.270 nan 0.000 0.418 292 L N -0.310 121.021 121.223 0.181 0.000 2.093 292 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 292 L C 2.569 179.595 176.870 0.261 0.000 1.085 292 L CA 0.865 55.890 54.840 0.308 0.000 0.755 292 L CB -0.222 42.060 42.059 0.372 0.000 0.904 292 L HN 0.347 nan 8.230 nan 0.000 0.435 293 M N -1.104 118.602 119.600 0.176 0.000 2.200 293 M HA -0.197 4.283 4.480 -0.001 0.000 0.265 293 M C 2.292 178.601 176.300 0.016 0.000 1.066 293 M CA 1.380 56.739 55.300 0.097 0.000 1.127 293 M CB -0.212 32.453 32.600 0.108 0.000 1.379 293 M HN 0.139 nan 8.290 nan 0.000 0.420 294 Q N 1.263 121.083 119.800 0.033 0.000 2.119 294 Q HA -0.206 4.134 4.340 -0.001 0.000 0.201 294 Q C 1.761 177.749 176.000 -0.020 0.000 0.972 294 Q CA 1.988 57.794 55.803 0.005 0.000 0.847 294 Q CB -0.139 28.611 28.738 0.020 0.000 0.903 294 Q HN 0.655 nan 8.270 nan 0.000 0.433 295 E N -0.623 119.578 120.200 0.002 0.000 2.208 295 E HA -0.197 4.153 4.350 -0.001 0.000 0.193 295 E C 1.976 178.470 176.600 -0.177 0.000 0.988 295 E CA 0.565 56.953 56.400 -0.021 0.000 0.828 295 E CB -0.159 29.595 29.700 0.089 0.000 0.763 295 E HN 0.315 nan 8.360 nan 0.000 0.478 296 R N 0.939 121.267 120.500 -0.286 0.000 2.043 296 R HA 0.084 4.424 4.340 -0.001 0.000 0.221 296 R C 1.283 177.382 176.300 -0.336 0.000 1.196 296 R CA 1.107 56.862 56.100 -0.576 0.000 0.949 296 R CB -0.626 29.224 30.300 -0.751 0.000 0.838 296 R HN 0.137 nan 8.270 nan 0.000 0.446 297 G N 0.000 108.676 108.800 -0.207 0.000 5.446 297 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 297 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 297 G CA 0.000 45.020 45.100 -0.134 0.000 0.502 297 G HN 0.000 nan 8.290 nan 0.000 0.925