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 2gce_1_D DATA FIRST_RESID 2 DATA SEQUENCE AGPLSGLRVV ELAGIGPGPH AAMILGDLGA DVVRIDRPXX XXXISRDAML DATA SEQUENCE RNRRIVTADL KSDQGLELAL KLIAKADVLI EGYRPGVTER LGLGPEECAK DATA SEQUENCE VNDRLIYARM TGWGQTGPRS QQAGHDINYI SLNGILHAIG RGDERPVPPL DATA SEQUENCE NLVGDFGGGS MFLLVGILAA LWERQSSGKG QVVDAAMVDG SSVLIQMMWA DATA SEQUENCE MRATGMWTDT RGANMLDGGA PYYDTYECAD GRYVAVGAIE PQFYAAMLAG DATA SEQUENCE LGLDAAELPP QNDRARWPEL RALLTEAFAS HDRDHWGAVF ANSDACVTPV DATA SEQUENCE LAFGEVHNEP HIIERNTFYE ANGGWQPMPA PRFSRTASSQ PRPPAATIDI DATA SEQUENCE EAVLTDWDG 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.546 177.584 -0.063 0.000 1.274 2 A CA 0.000 52.011 52.037 -0.044 0.000 0.836 2 A CB 0.000 18.982 19.000 -0.030 0.000 0.831 3 G N 0.373 109.120 108.800 -0.089 0.000 2.563 3 G HA2 0.492 4.452 3.960 -0.000 0.000 0.283 3 G HA3 0.492 4.452 3.960 -0.000 0.000 0.283 3 G C -0.863 173.890 174.900 -0.245 0.000 1.309 3 G CA -0.468 44.532 45.100 -0.166 0.000 1.022 3 G HN -0.006 nan 8.290 nan 0.000 0.501 4 P HA -0.022 nan 4.420 nan 0.000 0.226 4 P C 1.222 178.371 177.300 -0.252 0.000 1.153 4 P CA 0.847 63.698 63.100 -0.415 0.000 0.777 4 P CB 0.216 31.460 31.700 -0.759 0.000 0.794 5 L N -0.650 120.444 121.223 -0.215 0.000 2.653 5 L HA 0.169 4.509 4.340 -0.000 0.000 0.231 5 L C 1.204 178.014 176.870 -0.099 0.000 1.153 5 L CA -0.264 54.496 54.840 -0.133 0.000 0.933 5 L CB -0.316 41.677 42.059 -0.110 0.000 1.175 5 L HN -0.077 nan 8.230 nan 0.000 0.473 6 S N 0.461 116.102 115.700 -0.100 0.000 2.546 6 S HA 0.249 4.719 4.470 -0.000 0.000 0.290 6 S C 1.375 175.933 174.600 -0.069 0.000 1.290 6 S CA 0.894 59.051 58.200 -0.071 0.000 1.069 6 S CB 0.568 63.728 63.200 -0.066 0.000 0.846 6 S HN 0.677 nan 8.310 nan 0.000 0.495 7 G N 2.880 111.642 108.800 -0.063 0.000 2.234 7 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.235 7 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.235 7 G C -0.040 174.791 174.900 -0.116 0.000 0.997 7 G CA 0.120 45.170 45.100 -0.083 0.000 0.623 7 G HN 1.027 nan 8.290 nan 0.000 0.514 8 L N 2.349 123.512 121.223 -0.099 0.000 2.361 8 L HA 0.637 4.977 4.340 -0.000 0.000 0.278 8 L C 0.742 177.535 176.870 -0.129 0.000 1.113 8 L CA -0.335 54.438 54.840 -0.112 0.000 0.849 8 L CB 0.373 42.385 42.059 -0.078 0.000 1.155 8 L HN 0.255 nan 8.230 nan 0.000 0.452 9 R N 4.227 124.584 120.500 -0.238 0.000 2.229 9 R HA 0.592 4.932 4.340 -0.000 0.000 0.328 9 R C -1.223 174.988 176.300 -0.149 0.000 1.009 9 R CA -0.642 55.250 56.100 -0.347 0.000 0.864 9 R CB 1.344 31.038 30.300 -1.010 0.000 1.085 9 R HN 0.436 nan 8.270 nan 0.000 0.453 10 V N 4.135 124.094 119.914 0.076 0.000 2.487 10 V HA 0.311 4.430 4.120 -0.000 0.000 0.298 10 V C -0.181 176.048 176.094 0.225 0.000 1.028 10 V CA -0.909 61.453 62.300 0.104 0.000 0.860 10 V CB 2.072 33.930 31.823 0.058 0.000 0.991 10 V HN 0.436 nan 8.190 nan 0.000 0.427 11 V N 4.062 124.072 119.914 0.159 0.000 2.394 11 V HA 0.445 4.565 4.120 -0.000 0.000 0.282 11 V C 0.060 176.171 176.094 0.029 0.000 1.031 11 V CA -0.411 61.962 62.300 0.122 0.000 0.881 11 V CB 1.600 33.497 31.823 0.124 0.000 0.982 11 V HN 0.966 nan 8.190 nan 0.000 0.451 12 E N 5.141 125.353 120.200 0.020 0.000 2.155 12 E HA 0.429 4.778 4.350 -0.000 0.000 0.264 12 E C -1.303 175.291 176.600 -0.010 0.000 0.886 12 E CA -0.682 55.712 56.400 -0.011 0.000 0.752 12 E CB 1.383 31.083 29.700 -0.000 0.000 1.133 12 E HN 0.639 nan 8.360 nan 0.000 0.414 13 L N 3.789 124.991 121.223 -0.035 0.000 2.283 13 L HA 0.342 4.682 4.340 -0.000 0.000 0.287 13 L C 0.545 177.400 176.870 -0.024 0.000 1.073 13 L CA -0.648 54.200 54.840 0.013 0.000 0.822 13 L CB 0.932 43.033 42.059 0.070 0.000 1.186 13 L HN 0.642 nan 8.230 nan 0.000 0.436 14 A N 3.538 126.390 122.820 0.054 0.000 2.563 14 A HA 0.393 4.713 4.320 -0.000 0.000 0.256 14 A C 0.722 178.331 177.584 0.041 0.000 1.056 14 A CA 0.834 52.901 52.037 0.050 0.000 0.775 14 A CB -0.249 18.797 19.000 0.076 0.000 0.973 14 A HN 0.887 nan 8.150 nan 0.000 0.516 15 G N 0.970 109.759 108.800 -0.018 0.000 3.135 15 G HA2 0.688 4.648 3.960 -0.000 0.000 0.278 15 G HA3 0.688 4.648 3.960 -0.000 0.000 0.278 15 G C -0.521 174.400 174.900 0.034 0.000 1.302 15 G CA -0.224 44.856 45.100 -0.033 0.000 0.880 15 G HN 1.467 nan 8.290 nan 0.000 0.574 16 I N -3.010 117.586 120.570 0.042 0.000 2.582 16 I HA 0.803 4.973 4.170 -0.000 0.000 0.292 16 I C 0.650 176.816 176.117 0.081 0.000 1.066 16 I CA -0.049 61.299 61.300 0.080 0.000 1.053 16 I CB 1.855 39.917 38.000 0.103 0.000 1.241 16 I HN 1.570 nan 8.210 nan 0.000 0.421 17 G N 5.851 114.727 108.800 0.126 0.000 2.650 17 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.264 17 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.264 17 G C -1.808 173.228 174.900 0.227 0.000 1.263 17 G CA 0.210 45.384 45.100 0.124 0.000 0.960 17 G HN 0.568 nan 8.290 nan 0.000 0.548 18 P HA -0.020 nan 4.420 nan 0.000 0.216 18 P C 2.103 179.526 177.300 0.205 0.000 1.153 18 P CA 2.839 66.060 63.100 0.203 0.000 0.848 18 P CB -0.786 30.940 31.700 0.044 0.000 0.787 19 G N 1.476 110.329 108.800 0.089 0.000 2.514 19 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 19 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 19 G C -0.746 174.199 174.900 0.074 0.000 1.198 19 G CA 1.356 46.480 45.100 0.040 0.000 0.780 19 G HN 0.287 nan 8.290 nan 0.000 0.565 20 P HA -0.037 nan 4.420 nan 0.000 0.222 20 P C 1.150 178.529 177.300 0.133 0.000 1.147 20 P CA 1.297 64.457 63.100 0.100 0.000 0.790 20 P CB -0.031 31.733 31.700 0.107 0.000 0.780 21 H N -0.029 119.111 119.070 0.116 0.000 2.372 21 H HA 0.145 4.701 4.556 -0.000 0.000 0.301 21 H C 1.888 177.250 175.328 0.056 0.000 1.065 21 H CA 1.558 57.655 56.048 0.081 0.000 1.364 21 H CB -0.550 29.323 29.762 0.185 0.000 1.406 21 H HN -0.064 nan 8.280 nan 0.000 0.521 22 A N 1.000 123.859 122.820 0.065 0.000 1.877 22 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 22 A C 2.586 180.142 177.584 -0.046 0.000 1.186 22 A CA 1.767 53.798 52.037 -0.009 0.000 0.620 22 A CB -1.404 17.631 19.000 0.058 0.000 0.822 22 A HN 0.590 nan 8.150 nan 0.000 0.443 23 A N -0.634 122.178 122.820 -0.014 0.000 1.908 23 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 23 A C 2.283 179.847 177.584 -0.034 0.000 1.181 23 A CA 1.977 54.005 52.037 -0.015 0.000 0.627 23 A CB -0.579 18.423 19.000 0.002 0.000 0.818 23 A HN 0.641 nan 8.150 nan 0.000 0.445 24 M N -0.446 119.121 119.600 -0.055 0.000 2.065 24 M HA -0.167 4.313 4.480 -0.000 0.000 0.259 24 M C 1.991 178.231 176.300 -0.100 0.000 1.069 24 M CA 2.087 57.344 55.300 -0.071 0.000 1.110 24 M CB -0.351 32.197 32.600 -0.087 0.000 1.328 24 M HN 0.422 nan 8.290 nan 0.000 0.405 25 I N 0.528 120.995 120.570 -0.172 0.000 2.264 25 I HA -0.344 3.826 4.170 -0.000 0.000 0.248 25 I C 2.225 178.301 176.117 -0.068 0.000 1.111 25 I CA 1.192 62.409 61.300 -0.139 0.000 1.382 25 I CB -0.412 37.475 38.000 -0.188 0.000 1.060 25 I HN 0.377 nan 8.210 nan 0.000 0.418 26 L N 0.177 121.366 121.223 -0.057 0.000 2.017 26 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 26 L C 2.725 179.575 176.870 -0.034 0.000 1.073 26 L CA 1.657 56.474 54.840 -0.038 0.000 0.745 26 L CB -1.317 40.726 42.059 -0.026 0.000 0.894 26 L HN 0.316 nan 8.230 nan 0.000 0.432 27 G N -0.340 108.445 108.800 -0.026 0.000 2.446 27 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 27 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 27 G C 1.113 175.997 174.900 -0.027 0.000 1.168 27 G CA 0.981 46.071 45.100 -0.017 0.000 0.771 27 G HN 0.289 nan 8.290 nan 0.000 0.551 28 D N 0.529 120.911 120.400 -0.031 0.000 2.133 28 D HA -0.109 4.531 4.640 -0.000 0.000 0.192 28 D C 2.305 178.590 176.300 -0.024 0.000 1.001 28 D CA 0.733 54.717 54.000 -0.028 0.000 0.844 28 D CB -0.285 40.501 40.800 -0.024 0.000 0.944 28 D HN 0.280 nan 8.370 nan 0.000 0.447 29 L N -1.168 120.036 121.223 -0.031 0.000 2.612 29 L HA 0.215 4.555 4.340 -0.000 0.000 0.230 29 L C 1.452 178.260 176.870 -0.104 0.000 1.140 29 L CA 0.563 55.365 54.840 -0.064 0.000 0.896 29 L CB -0.025 41.987 42.059 -0.078 0.000 1.065 29 L HN 0.226 nan 8.230 nan 0.000 0.447 30 G N -0.289 108.471 108.800 -0.067 0.000 2.211 30 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.201 30 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.201 30 G C 0.487 175.360 174.900 -0.045 0.000 0.997 30 G CA -0.129 44.934 45.100 -0.062 0.000 0.652 30 G HN 0.442 nan 8.290 nan 0.000 0.500 31 A N 0.385 123.181 122.820 -0.040 0.000 2.520 31 A HA 0.444 4.764 4.320 -0.000 0.000 0.235 31 A C 0.387 177.982 177.584 0.019 0.000 1.065 31 A CA 0.889 52.914 52.037 -0.020 0.000 0.764 31 A CB 0.286 19.274 19.000 -0.019 0.000 1.002 31 A HN 0.448 nan 8.150 nan 0.000 0.502 32 D N 2.179 122.611 120.400 0.052 0.000 2.422 32 D HA 0.354 4.994 4.640 -0.000 0.000 0.227 32 D C -0.653 175.778 176.300 0.219 0.000 1.190 32 D CA 0.039 54.127 54.000 0.147 0.000 0.905 32 D CB 0.168 41.102 40.800 0.223 0.000 1.034 32 D HN 0.124 nan 8.370 nan 0.000 0.507 33 V N 3.976 123.976 119.914 0.144 0.000 2.394 33 V HA 0.341 4.461 4.120 -0.000 0.000 0.282 33 V C 0.347 176.500 176.094 0.098 0.000 1.031 33 V CA -0.889 61.488 62.300 0.128 0.000 0.881 33 V CB 1.708 33.567 31.823 0.059 0.000 0.982 33 V HN 0.246 nan 8.190 nan 0.000 0.451 34 V N 5.712 125.687 119.914 0.102 0.000 2.378 34 V HA 0.490 4.610 4.120 -0.000 0.000 0.288 34 V C 0.151 176.240 176.094 -0.008 0.000 1.016 34 V CA -0.668 61.616 62.300 -0.026 0.000 0.840 34 V CB 1.544 33.230 31.823 -0.227 0.000 0.994 34 V HN 0.902 nan 8.190 nan 0.000 0.431 35 R N 5.054 125.544 120.500 -0.017 0.000 2.346 35 R HA 0.636 4.976 4.340 -0.000 0.000 0.311 35 R C -1.035 175.260 176.300 -0.009 0.000 0.983 35 R CA -0.578 55.520 56.100 -0.003 0.000 0.880 35 R CB 1.026 31.329 30.300 0.005 0.000 1.100 35 R HN 0.696 nan 8.270 nan 0.000 0.453 36 I N 4.260 124.834 120.570 0.007 0.000 2.307 36 I HA 0.191 4.361 4.170 -0.000 0.000 0.289 36 I C -0.169 175.969 176.117 0.036 0.000 1.021 36 I CA -0.382 60.926 61.300 0.013 0.000 1.224 36 I CB 1.360 39.374 38.000 0.023 0.000 1.376 36 I HN 0.515 nan 8.210 nan 0.000 0.470 37 D N 6.157 126.572 120.400 0.026 0.000 2.268 37 D HA 0.357 4.997 4.640 -0.000 0.000 0.249 37 D C 0.036 176.356 176.300 0.032 0.000 1.008 37 D CA -0.641 53.381 54.000 0.037 0.000 0.939 37 D CB 1.569 42.385 40.800 0.026 0.000 1.170 37 D HN 0.337 nan 8.370 nan 0.000 0.468 38 R N 1.484 122.006 120.500 0.038 0.000 2.698 38 R HA 0.162 4.501 4.340 -0.000 0.000 0.266 38 R C -1.849 174.460 176.300 0.016 0.000 1.026 38 R CA -0.721 55.393 56.100 0.024 0.000 1.102 38 R CB -0.224 30.091 30.300 0.025 0.000 0.978 38 R HN 0.210 nan 8.270 nan 0.000 0.436 46 S N 5.513 121.215 115.700 0.004 0.000 2.584 46 S HA 0.486 4.956 4.470 -0.000 0.000 0.273 46 S C 0.541 175.144 174.600 0.005 0.000 1.311 46 S CA -0.437 57.767 58.200 0.006 0.000 1.034 46 S CB 0.917 64.124 63.200 0.011 0.000 0.939 46 S HN 0.699 nan 8.310 nan 0.000 0.513 47 R N 2.276 122.779 120.500 0.004 0.000 2.609 47 R HA 0.178 4.518 4.340 -0.000 0.000 0.326 47 R C -1.085 175.216 176.300 0.001 0.000 1.090 47 R CA -0.080 56.019 56.100 -0.001 0.000 1.072 47 R CB -0.416 29.880 30.300 -0.006 0.000 1.330 47 R HN 0.606 nan 8.270 nan 0.000 0.572 48 D N 0.311 120.717 120.400 0.009 0.000 2.396 48 D HA 0.198 4.838 4.640 -0.000 0.000 0.225 48 D C 0.988 177.298 176.300 0.018 0.000 1.121 48 D CA -0.145 53.864 54.000 0.014 0.000 0.853 48 D CB 1.668 42.483 40.800 0.026 0.000 1.043 48 D HN -0.039 nan 8.370 nan 0.000 0.500 49 A N 3.231 126.057 122.820 0.010 0.000 2.076 49 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 49 A C 1.838 179.445 177.584 0.039 0.000 1.160 49 A CA 1.122 53.172 52.037 0.021 0.000 0.653 49 A CB -0.620 18.379 19.000 -0.002 0.000 0.801 49 A HN 0.657 nan 8.150 nan 0.000 0.455 50 M N -0.655 118.966 119.600 0.035 0.000 2.279 50 M HA -0.018 4.462 4.480 -0.000 0.000 0.264 50 M C 0.997 177.322 176.300 0.042 0.000 1.062 50 M CA 1.135 56.462 55.300 0.045 0.000 1.099 50 M CB -0.618 32.017 32.600 0.059 0.000 1.394 50 M HN 0.248 nan 8.290 nan 0.000 0.426 51 L N 1.950 123.195 121.223 0.037 0.000 2.672 51 L HA 0.153 4.493 4.340 -0.000 0.000 0.236 51 L C 1.046 177.933 176.870 0.028 0.000 1.186 51 L CA -0.448 54.411 54.840 0.031 0.000 0.977 51 L CB -0.951 41.125 42.059 0.027 0.000 1.203 51 L HN 0.345 nan 8.230 nan 0.000 0.448 52 R N -0.420 120.103 120.500 0.037 0.000 2.738 52 R HA 0.040 4.380 4.340 -0.000 0.000 0.268 52 R C -0.124 176.189 176.300 0.021 0.000 1.062 52 R CA -0.408 55.716 56.100 0.041 0.000 1.158 52 R CB 0.109 30.454 30.300 0.075 0.000 1.046 52 R HN 0.112 nan 8.270 nan 0.000 0.493 53 N N 0.463 119.171 118.700 0.013 0.000 2.756 53 N HA -0.138 4.602 4.740 -0.000 0.000 0.248 53 N C -1.239 174.275 175.510 0.008 0.000 1.062 53 N CA 1.019 54.070 53.050 0.003 0.000 0.696 53 N CB -0.486 37.998 38.487 -0.006 0.000 0.946 53 N HN 0.610 nan 8.380 nan 0.000 0.548 54 R N 0.089 120.594 120.500 0.008 0.000 2.867 54 R HA 0.517 4.857 4.340 -0.000 0.000 0.268 54 R C 0.305 176.604 176.300 -0.003 0.000 1.014 54 R CA -0.690 55.415 56.100 0.008 0.000 0.946 54 R CB 1.495 31.799 30.300 0.006 0.000 1.208 54 R HN 0.073 nan 8.270 nan 0.000 0.477 55 R N 0.930 121.421 120.500 -0.014 0.000 2.460 55 R HA 0.510 4.850 4.340 -0.000 0.000 0.303 55 R C -0.202 176.071 176.300 -0.045 0.000 0.968 55 R CA -0.780 55.296 56.100 -0.041 0.000 0.889 55 R CB 1.171 31.425 30.300 -0.077 0.000 1.123 55 R HN 0.331 nan 8.270 nan 0.000 0.455 56 I N 4.503 125.049 120.570 -0.040 0.000 2.354 56 I HA 0.293 4.463 4.170 -0.000 0.000 0.292 56 I C 0.359 176.447 176.117 -0.048 0.000 0.989 56 I CA -0.660 60.619 61.300 -0.035 0.000 1.188 56 I CB 1.223 39.213 38.000 -0.017 0.000 1.342 56 I HN 0.376 nan 8.210 nan 0.000 0.457 57 V N 2.687 122.569 119.914 -0.053 0.000 3.074 57 V HA 0.829 4.948 4.120 -0.000 0.000 0.314 57 V C -0.366 175.709 176.094 -0.032 0.000 1.117 57 V CA -0.465 61.802 62.300 -0.055 0.000 1.014 57 V CB 2.087 33.858 31.823 -0.086 0.000 1.057 57 V HN 0.792 nan 8.190 nan 0.000 0.438 58 T N 0.795 115.334 114.554 -0.026 0.000 2.907 58 T HA 0.883 5.233 4.350 -0.000 0.000 0.292 58 T C -0.680 174.014 174.700 -0.011 0.000 1.043 58 T CA 0.219 62.312 62.100 -0.012 0.000 1.003 58 T CB 1.409 70.273 68.868 -0.007 0.000 1.084 58 T HN 2.061 nan 8.240 nan 0.000 0.483 59 A N 2.693 125.513 122.820 -0.000 0.000 2.555 59 A HA 0.539 4.859 4.320 -0.000 0.000 0.297 59 A C -1.494 176.094 177.584 0.006 0.000 1.060 59 A CA -0.742 51.296 52.037 0.001 0.000 0.710 59 A CB 1.552 20.553 19.000 0.001 0.000 1.282 59 A HN 0.730 nan 8.150 nan 0.000 0.399 60 D N 2.498 122.900 120.400 0.003 0.000 2.393 60 D HA 0.342 4.982 4.640 -0.000 0.000 0.232 60 D C 0.776 177.077 176.300 0.002 0.000 1.192 60 D CA -0.164 53.837 54.000 0.001 0.000 0.882 60 D CB 0.258 41.057 40.800 -0.001 0.000 1.038 60 D HN 0.412 nan 8.370 nan 0.000 0.499 61 L N 3.138 124.362 121.223 0.002 0.000 2.551 61 L HA -0.001 4.339 4.340 -0.000 0.000 0.228 61 L C 2.054 178.921 176.870 -0.004 0.000 1.153 61 L CA 0.440 55.283 54.840 0.004 0.000 0.851 61 L CB -0.122 41.942 42.059 0.008 0.000 0.959 61 L HN 0.247 nan 8.230 nan 0.000 0.451 62 K N 0.127 120.521 120.400 -0.010 0.000 2.400 62 K HA 0.075 4.395 4.320 -0.000 0.000 0.194 62 K C 1.062 177.659 176.600 -0.004 0.000 1.033 62 K CA 0.188 56.468 56.287 -0.012 0.000 1.021 62 K CB 0.278 32.767 32.500 -0.017 0.000 0.808 62 K HN 0.341 nan 8.250 nan 0.000 0.505 63 S N 0.499 116.199 115.700 -0.001 0.000 2.617 63 S HA 0.193 4.663 4.470 -0.000 0.000 0.283 63 S C 0.528 175.130 174.600 0.004 0.000 1.189 63 S CA -0.699 57.502 58.200 0.001 0.000 1.036 63 S CB 1.706 64.906 63.200 0.000 0.000 1.014 63 S HN -0.082 nan 8.310 nan 0.000 0.522 64 D N 0.998 121.401 120.400 0.005 0.000 2.144 64 D HA -0.118 4.522 4.640 -0.000 0.000 0.199 64 D C 1.807 178.112 176.300 0.008 0.000 0.984 64 D CA 1.389 55.393 54.000 0.007 0.000 0.834 64 D CB -0.311 40.493 40.800 0.006 0.000 0.955 64 D HN 0.790 nan 8.370 nan 0.000 0.465 65 Q N 0.342 120.145 119.800 0.005 0.000 2.046 65 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 65 Q C 2.167 178.170 176.000 0.005 0.000 0.975 65 Q CA 1.702 57.508 55.803 0.005 0.000 0.836 65 Q CB -0.293 28.447 28.738 0.002 0.000 0.896 65 Q HN 0.281 nan 8.270 nan 0.000 0.428 66 G N 1.318 110.121 108.800 0.005 0.000 2.421 66 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 66 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 66 G C 1.352 176.260 174.900 0.013 0.000 1.171 66 G CA 0.879 45.983 45.100 0.006 0.000 0.775 66 G HN 0.384 nan 8.290 nan 0.000 0.543 67 L N 0.797 122.030 121.223 0.016 0.000 2.012 67 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 67 L C 2.546 179.433 176.870 0.027 0.000 1.073 67 L CA 2.744 57.599 54.840 0.024 0.000 0.748 67 L CB -0.793 41.280 42.059 0.023 0.000 0.891 67 L HN 0.433 nan 8.230 nan 0.000 0.431 68 E N -0.739 119.474 120.200 0.021 0.000 2.110 68 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 68 E C 2.245 178.858 176.600 0.022 0.000 0.988 68 E CA 1.433 57.847 56.400 0.022 0.000 0.804 68 E CB -0.182 29.528 29.700 0.016 0.000 0.745 68 E HN 0.610 nan 8.360 nan 0.000 0.458 69 L N 0.077 121.309 121.223 0.015 0.000 2.156 69 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 69 L C 2.528 179.407 176.870 0.015 0.000 1.095 69 L CA 0.854 55.700 54.840 0.009 0.000 0.770 69 L CB -0.270 41.787 42.059 -0.004 0.000 0.914 69 L HN 0.183 nan 8.230 nan 0.000 0.439 70 A N 0.045 122.879 122.820 0.024 0.000 1.872 70 A HA -0.117 4.203 4.320 -0.000 0.000 0.214 70 A C 2.192 179.809 177.584 0.055 0.000 1.187 70 A CA 1.118 53.176 52.037 0.035 0.000 0.614 70 A CB -0.632 18.393 19.000 0.041 0.000 0.826 70 A HN 0.320 nan 8.150 nan 0.000 0.442 71 L N -0.611 120.645 121.223 0.056 0.000 2.191 71 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 71 L C 2.524 179.435 176.870 0.069 0.000 1.103 71 L CA 1.448 56.327 54.840 0.065 0.000 0.769 71 L CB -0.307 41.786 42.059 0.056 0.000 0.908 71 L HN 0.360 nan 8.230 nan 0.000 0.438 72 K N -0.484 119.952 120.400 0.060 0.000 2.062 72 K HA -0.144 4.176 4.320 -0.000 0.000 0.205 72 K C 2.047 178.710 176.600 0.105 0.000 1.051 72 K CA 0.915 57.242 56.287 0.067 0.000 0.941 72 K CB -0.112 32.416 32.500 0.047 0.000 0.719 72 K HN 0.076 nan 8.250 nan 0.000 0.440 73 L N 1.226 122.510 121.223 0.101 0.000 2.093 73 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 73 L C 1.966 178.996 176.870 0.267 0.000 1.085 73 L CA 1.423 56.361 54.840 0.164 0.000 0.755 73 L CB -0.151 41.936 42.059 0.047 0.000 0.904 73 L HN 0.124 nan 8.230 nan 0.000 0.435 74 I N -1.138 119.531 120.570 0.165 0.000 2.315 74 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 74 I C 2.505 178.689 176.117 0.112 0.000 1.117 74 I CA 1.007 62.390 61.300 0.139 0.000 1.404 74 I CB -0.495 37.565 38.000 0.099 0.000 1.071 74 I HN 0.247 nan 8.210 nan 0.000 0.419 75 A N 0.237 123.118 122.820 0.102 0.000 2.042 75 A HA -0.220 4.100 4.320 -0.000 0.000 0.222 75 A C 2.066 179.684 177.584 0.056 0.000 1.167 75 A CA 1.731 53.812 52.037 0.074 0.000 0.649 75 A CB -0.263 18.779 19.000 0.069 0.000 0.809 75 A HN 0.275 nan 8.150 nan 0.000 0.457 76 K N -1.224 119.230 120.400 0.090 0.000 2.374 76 K HA 0.412 4.732 4.320 -0.000 0.000 0.202 76 K C 0.291 176.777 176.600 -0.191 0.000 1.040 76 K CA 0.601 56.896 56.287 0.013 0.000 1.085 76 K CB 0.477 33.059 32.500 0.136 0.000 0.873 76 K HN 0.423 nan 8.250 nan 0.000 0.539 77 A N 1.038 123.788 122.820 -0.115 0.000 2.282 77 A HA 0.295 4.615 4.320 -0.000 0.000 0.319 77 A C 0.412 177.903 177.584 -0.156 0.000 1.121 77 A CA -0.458 51.439 52.037 -0.232 0.000 0.836 77 A CB 0.713 19.714 19.000 0.002 0.000 1.146 77 A HN 0.010 nan 8.150 nan 0.000 0.494 78 D N -0.315 119.980 120.400 -0.176 0.000 2.240 78 D HA 0.111 4.751 4.640 -0.000 0.000 0.206 78 D C 0.008 176.276 176.300 -0.054 0.000 0.963 78 D CA 1.374 55.310 54.000 -0.106 0.000 0.863 78 D CB 0.375 41.106 40.800 -0.115 0.000 0.973 78 D HN 0.222 nan 8.370 nan 0.000 0.501 79 V N 1.323 121.207 119.914 -0.049 0.000 2.841 79 V HA 0.356 4.476 4.120 -0.000 0.000 0.310 79 V C -0.958 175.113 176.094 -0.039 0.000 1.090 79 V CA -0.983 61.298 62.300 -0.032 0.000 0.930 79 V CB 2.897 34.704 31.823 -0.026 0.000 1.014 79 V HN -0.080 nan 8.190 nan 0.000 0.425 80 L N 5.221 126.387 121.223 -0.095 0.000 2.356 80 L HA 0.718 5.058 4.340 -0.000 0.000 0.277 80 L C -0.935 175.804 176.870 -0.218 0.000 0.996 80 L CA 0.031 54.766 54.840 -0.175 0.000 0.822 80 L CB 1.464 43.326 42.059 -0.328 0.000 1.256 80 L HN 0.587 nan 8.230 nan 0.000 0.413 81 I N 4.406 124.883 120.570 -0.155 0.000 2.378 81 I HA 0.475 4.645 4.170 -0.000 0.000 0.291 81 I C -0.808 175.205 176.117 -0.174 0.000 0.992 81 I CA -0.463 60.754 61.300 -0.139 0.000 1.154 81 I CB 1.719 39.675 38.000 -0.073 0.000 1.315 81 I HN 0.706 nan 8.210 nan 0.000 0.448 82 E N 4.369 124.456 120.200 -0.188 0.000 2.293 82 E HA 0.677 5.027 4.350 -0.000 0.000 0.270 82 E C -0.280 176.175 176.600 -0.242 0.000 0.879 82 E CA -0.890 55.368 56.400 -0.237 0.000 0.756 82 E CB 1.889 31.519 29.700 -0.117 0.000 1.208 82 E HN 0.563 nan 8.360 nan 0.000 0.428 83 G N 2.074 110.600 108.800 -0.457 0.000 4.250 83 G HA2 0.214 4.174 3.960 -0.000 0.000 0.295 83 G HA3 0.214 4.174 3.960 -0.000 0.000 0.295 83 G C -0.868 173.871 174.900 -0.267 0.000 1.081 83 G CA -0.316 44.606 45.100 -0.296 0.000 0.854 83 G HN 0.400 nan 8.290 nan 0.000 0.524 84 Y N -0.111 120.209 120.300 0.034 0.000 2.340 84 Y HA 0.520 5.070 4.550 -0.000 0.000 0.327 84 Y C 1.228 177.150 175.900 0.036 0.000 1.321 84 Y CA -1.123 56.999 58.100 0.036 0.000 1.433 84 Y CB 0.837 39.324 38.460 0.045 0.000 1.373 84 Y HN -0.074 nan 8.280 nan 0.000 0.538 85 R N 1.564 122.200 120.500 0.227 0.000 2.698 85 R HA 0.067 4.407 4.340 -0.000 0.000 0.266 85 R C -2.567 173.817 176.300 0.139 0.000 1.026 85 R CA -1.143 55.044 56.100 0.144 0.000 1.102 85 R CB -0.079 30.292 30.300 0.117 0.000 0.978 85 R HN 0.258 nan 8.270 nan 0.000 0.436 86 P HA -0.015 nan 4.420 nan 0.000 0.264 86 P C 0.290 177.638 177.300 0.080 0.000 1.183 86 P CA 1.153 64.308 63.100 0.092 0.000 0.763 86 P CB 0.763 32.506 31.700 0.071 0.000 0.807 87 G N 0.943 109.788 108.800 0.075 0.000 2.284 87 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.230 87 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.230 87 G C 1.088 176.023 174.900 0.058 0.000 1.021 87 G CA 0.222 45.354 45.100 0.054 0.000 0.619 87 G HN 0.392 nan 8.290 nan 0.000 0.510 88 V N 2.181 122.142 119.914 0.080 0.000 2.255 88 V HA -0.208 3.912 4.120 -0.000 0.000 0.247 88 V C 3.282 179.406 176.094 0.050 0.000 1.051 88 V CA 3.744 66.069 62.300 0.041 0.000 1.018 88 V CB -1.226 30.614 31.823 0.029 0.000 0.641 88 V HN 0.925 nan 8.190 nan 0.000 0.445 89 T N -1.591 113.051 114.554 0.147 0.000 2.788 89 T HA -0.235 4.115 4.350 -0.000 0.000 0.268 89 T C 1.625 176.394 174.700 0.114 0.000 1.044 89 T CA 1.685 63.890 62.100 0.174 0.000 1.139 89 T CB -0.400 68.654 68.868 0.310 0.000 0.867 89 T HN 0.486 nan 8.240 nan 0.000 0.454 90 E N 1.424 121.674 120.200 0.083 0.000 2.038 90 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 90 E C 2.519 179.138 176.600 0.032 0.000 1.000 90 E CA 1.101 57.527 56.400 0.044 0.000 0.803 90 E CB -0.277 29.436 29.700 0.022 0.000 0.750 90 E HN 0.484 nan 8.360 nan 0.000 0.448 91 R N 0.064 120.578 120.500 0.024 0.000 2.200 91 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 91 R C 2.116 178.421 176.300 0.008 0.000 1.127 91 R CA 0.769 56.875 56.100 0.010 0.000 0.989 91 R CB -0.250 30.051 30.300 0.001 0.000 0.869 91 R HN 0.214 nan 8.270 nan 0.000 0.459 92 L N -1.144 120.088 121.223 0.015 0.000 2.341 92 L HA 0.081 4.421 4.340 -0.000 0.000 0.214 92 L C 1.307 178.194 176.870 0.029 0.000 1.115 92 L CA 0.742 55.590 54.840 0.013 0.000 0.820 92 L CB 0.119 42.185 42.059 0.012 0.000 0.944 92 L HN 0.490 nan 8.230 nan 0.000 0.452 93 G N -0.135 108.689 108.800 0.040 0.000 2.159 93 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.227 93 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.227 93 G C 0.466 175.406 174.900 0.068 0.000 0.986 93 G CA 0.008 45.134 45.100 0.044 0.000 0.651 93 G HN 0.270 nan 8.290 nan 0.000 0.523 94 L N 1.027 122.309 121.223 0.098 0.000 3.014 94 L HA 0.437 4.777 4.340 -0.000 0.000 0.263 94 L C 1.685 178.700 176.870 0.242 0.000 1.207 94 L CA -0.033 54.900 54.840 0.154 0.000 1.017 94 L CB 0.434 42.583 42.059 0.150 0.000 1.360 94 L HN 0.299 nan 8.230 nan 0.000 0.560 95 G N 0.561 109.447 108.800 0.144 0.000 2.636 95 G HA2 0.163 4.123 3.960 -0.000 0.000 0.246 95 G HA3 0.163 4.123 3.960 -0.000 0.000 0.246 95 G C -1.785 173.065 174.900 -0.084 0.000 1.216 95 G CA -0.746 44.388 45.100 0.056 0.000 0.854 95 G HN -0.025 nan 8.290 nan 0.000 0.572 96 P HA -0.117 nan 4.420 nan 0.000 0.216 96 P C 1.509 178.692 177.300 -0.195 0.000 1.153 96 P CA 1.419 64.135 63.100 -0.639 0.000 0.858 96 P CB 0.226 31.467 31.700 -0.765 0.000 0.789 97 E N -0.813 119.305 120.200 -0.137 0.000 2.150 97 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 97 E C 1.954 178.542 176.600 -0.020 0.000 0.985 97 E CA 0.712 57.075 56.400 -0.063 0.000 0.814 97 E CB -0.244 29.425 29.700 -0.051 0.000 0.752 97 E HN 0.279 nan 8.360 nan 0.000 0.466 98 E N 0.080 120.278 120.200 -0.003 0.000 2.076 98 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 98 E C 2.147 178.780 176.600 0.055 0.000 0.979 98 E CA 0.527 56.945 56.400 0.030 0.000 0.807 98 E CB -0.315 29.411 29.700 0.044 0.000 0.761 98 E HN 0.271 nan 8.360 nan 0.000 0.454 99 C N 0.835 120.188 119.300 0.089 0.000 2.422 99 C HA -0.017 4.443 4.460 -0.000 0.000 0.279 99 C C 2.747 177.790 174.990 0.089 0.000 1.305 99 C CA 0.684 59.780 59.018 0.131 0.000 1.757 99 C CB -0.978 26.923 27.740 0.269 0.000 1.962 99 C HN 0.443 nan 8.230 nan 0.000 0.499 100 A N 0.766 123.618 122.820 0.054 0.000 1.972 100 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 100 A C 2.121 179.722 177.584 0.029 0.000 1.169 100 A CA 1.461 53.519 52.037 0.035 0.000 0.635 100 A CB -0.397 18.608 19.000 0.009 0.000 0.810 100 A HN 0.711 nan 8.150 nan 0.000 0.446 101 K N -0.215 120.201 120.400 0.027 0.000 2.283 101 K HA -0.056 4.264 4.320 -0.000 0.000 0.202 101 K C 1.498 178.114 176.600 0.027 0.000 1.048 101 K CA 1.471 57.772 56.287 0.022 0.000 0.948 101 K CB -0.177 32.335 32.500 0.020 0.000 0.742 101 K HN 0.554 nan 8.250 nan 0.000 0.458 102 V N -2.552 117.384 119.914 0.038 0.000 3.644 102 V HA 0.155 4.275 4.120 -0.000 0.000 0.267 102 V C 0.172 176.289 176.094 0.037 0.000 1.277 102 V CA -0.218 62.105 62.300 0.039 0.000 1.096 102 V CB -0.449 31.403 31.823 0.049 0.000 0.828 102 V HN 0.304 nan 8.190 nan 0.000 0.446 103 N N 1.215 119.938 118.700 0.038 0.000 3.507 103 N HA 0.033 4.773 4.740 -0.000 0.000 0.212 103 N C -0.672 174.859 175.510 0.035 0.000 1.340 103 N CA 0.460 53.529 53.050 0.032 0.000 0.844 103 N CB 1.022 39.532 38.487 0.039 0.000 1.647 103 N HN 0.338 nan 8.380 nan 0.000 0.694 104 D N 2.167 122.580 120.400 0.022 0.000 2.328 104 D HA 0.041 4.680 4.640 -0.000 0.000 0.221 104 D C 0.865 177.175 176.300 0.015 0.000 1.072 104 D CA 0.098 54.111 54.000 0.021 0.000 0.850 104 D CB 0.133 40.940 40.800 0.012 0.000 0.922 104 D HN 0.484 nan 8.370 nan 0.000 0.516 105 R N -0.379 120.126 120.500 0.008 0.000 2.317 105 R HA 0.204 4.544 4.340 -0.000 0.000 0.208 105 R C 0.256 176.561 176.300 0.008 0.000 0.914 105 R CA -0.515 55.583 56.100 -0.002 0.000 1.060 105 R CB 0.092 30.379 30.300 -0.021 0.000 1.015 105 R HN 0.127 nan 8.270 nan 0.000 0.498 106 L N 2.140 123.382 121.223 0.031 0.000 2.410 106 L HA 0.100 4.440 4.340 -0.000 0.000 0.273 106 L C -0.255 176.659 176.870 0.073 0.000 1.144 106 L CA 0.158 55.028 54.840 0.050 0.000 0.863 106 L CB 0.476 42.588 42.059 0.087 0.000 1.140 106 L HN -0.044 nan 8.230 nan 0.000 0.463 107 I N 6.527 127.129 120.570 0.053 0.000 2.308 107 I HA 0.027 4.197 4.170 -0.000 0.000 0.293 107 I C -0.412 175.759 176.117 0.090 0.000 1.078 107 I CA -0.017 61.326 61.300 0.071 0.000 1.292 107 I CB -0.677 37.348 38.000 0.041 0.000 1.423 107 I HN 0.575 nan 8.210 nan 0.000 0.493 108 Y N 5.707 126.019 120.300 0.021 0.000 2.535 108 Y HA 0.513 5.063 4.550 -0.000 0.000 0.349 108 Y C 0.426 176.341 175.900 0.024 0.000 0.992 108 Y CA -0.570 57.545 58.100 0.025 0.000 1.248 108 Y CB 0.758 39.234 38.460 0.026 0.000 1.124 108 Y HN 0.667 nan 8.280 nan 0.000 0.520 109 A N 7.610 130.439 122.820 0.016 0.000 2.249 109 A HA 0.577 4.897 4.320 -0.000 0.000 0.314 109 A C -0.546 177.064 177.584 0.043 0.000 1.290 109 A CA -0.847 51.219 52.037 0.049 0.000 0.893 109 A CB 0.294 19.297 19.000 0.005 0.000 1.165 109 A HN 0.845 nan 8.150 nan 0.000 0.530 110 R N 2.533 123.098 120.500 0.109 0.000 2.288 110 R HA 0.396 4.736 4.340 -0.000 0.000 0.326 110 R C -0.996 175.325 176.300 0.035 0.000 0.959 110 R CA -0.543 55.616 56.100 0.099 0.000 0.834 110 R CB 1.479 31.880 30.300 0.167 0.000 1.157 110 R HN 0.702 nan 8.270 nan 0.000 0.470 111 M N 3.250 122.844 119.600 -0.010 0.000 2.047 111 M HA 0.185 4.665 4.480 -0.000 0.000 0.342 111 M C -0.612 175.641 176.300 -0.079 0.000 1.058 111 M CA -0.045 55.232 55.300 -0.038 0.000 0.991 111 M CB 1.096 33.674 32.600 -0.037 0.000 1.474 111 M HN 0.674 nan 8.290 nan 0.000 0.419 112 T N 0.760 115.246 114.554 -0.114 0.000 2.888 112 T HA 0.807 5.157 4.350 -0.000 0.000 0.288 112 T C 0.653 175.103 174.700 -0.416 0.000 1.063 112 T CA -0.441 61.544 62.100 -0.192 0.000 1.010 112 T CB 1.415 70.222 68.868 -0.103 0.000 1.214 112 T HN 0.527 nan 8.240 nan 0.000 0.533 113 G N -0.942 107.404 108.800 -0.756 0.000 2.447 113 G HA2 0.080 4.040 3.960 -0.000 0.000 0.211 113 G HA3 0.080 4.040 3.960 -0.000 0.000 0.211 113 G C 0.793 175.017 174.900 -1.126 0.000 1.184 113 G CA -0.378 43.660 45.100 -1.769 0.000 0.813 113 G HN 0.828 nan 8.290 nan 0.000 0.540 114 W N 0.719 121.772 121.300 -0.411 0.000 2.863 114 W HA 0.432 5.092 4.660 -0.000 0.000 0.258 114 W C 1.363 177.817 176.519 -0.108 0.000 1.298 114 W CA 0.292 57.550 57.345 -0.145 0.000 1.451 114 W CB 0.460 29.913 29.460 -0.012 0.000 1.107 114 W HN 0.545 nan 8.180 nan 0.000 0.641 115 G N 0.107 108.950 108.800 0.071 0.000 2.603 115 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.686 115 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.686 115 G C 0.161 175.098 174.900 0.061 0.000 1.286 115 G CA -0.532 44.596 45.100 0.046 0.000 0.871 115 G HN -0.064 nan 8.290 nan 0.000 0.568 116 Q N -0.556 119.269 119.800 0.040 0.000 2.297 116 Q HA 0.075 4.415 4.340 -0.000 0.000 0.204 116 Q C 1.759 177.781 176.000 0.037 0.000 0.962 116 Q CA 2.071 57.898 55.803 0.040 0.000 0.879 116 Q CB -0.101 28.654 28.738 0.028 0.000 0.947 116 Q HN 1.160 nan 8.270 nan 0.000 0.462 117 T N -4.126 110.448 114.554 0.033 0.000 2.804 117 T HA 0.740 5.090 4.350 -0.000 0.000 0.290 117 T C 0.169 174.879 174.700 0.016 0.000 1.099 117 T CA -0.375 61.737 62.100 0.020 0.000 1.011 117 T CB 2.268 71.140 68.868 0.007 0.000 1.291 117 T HN 0.303 nan 8.240 nan 0.000 0.523 118 G N 0.957 109.754 108.800 -0.004 0.000 2.612 118 G HA2 0.078 4.037 3.960 -0.000 0.000 0.686 118 G HA3 0.078 4.037 3.960 -0.000 0.000 0.686 118 G C -2.050 172.820 174.900 -0.050 0.000 1.274 118 G CA -0.306 44.778 45.100 -0.026 0.000 0.849 118 G HN 0.717 nan 8.290 nan 0.000 0.595 119 P HA -0.086 nan 4.420 nan 0.000 0.219 119 P C 1.363 178.570 177.300 -0.155 0.000 1.146 119 P CA 1.179 64.217 63.100 -0.105 0.000 0.808 119 P CB 0.065 31.694 31.700 -0.117 0.000 0.779 120 R N -0.249 120.100 120.500 -0.251 0.000 2.334 120 R HA 0.124 4.464 4.340 -0.000 0.000 0.216 120 R C 2.130 178.321 176.300 -0.181 0.000 0.905 120 R CA 0.496 56.342 56.100 -0.423 0.000 1.064 120 R CB -0.176 29.459 30.300 -1.107 0.000 1.046 120 R HN 0.258 nan 8.270 nan 0.000 0.508 121 S N 0.210 115.903 115.700 -0.011 0.000 2.474 121 S HA -0.075 4.395 4.470 -0.000 0.000 0.235 121 S C 1.547 176.232 174.600 0.142 0.000 0.997 121 S CA 0.637 58.917 58.200 0.135 0.000 0.949 121 S CB 0.178 63.433 63.200 0.092 0.000 0.766 121 S HN 0.156 nan 8.310 nan 0.000 0.517 122 Q N 0.744 120.595 119.800 0.086 0.000 2.319 122 Q HA 0.277 4.617 4.340 -0.000 0.000 0.202 122 Q C 0.328 176.395 176.000 0.111 0.000 0.896 122 Q CA 0.132 55.987 55.803 0.087 0.000 0.942 122 Q CB 0.152 28.919 28.738 0.047 0.000 1.083 122 Q HN 0.791 nan 8.270 nan 0.000 0.510 123 Q N 0.298 120.189 119.800 0.152 0.000 2.256 123 Q HA 0.496 4.836 4.340 -0.000 0.000 0.254 123 Q C -0.788 175.389 176.000 0.295 0.000 0.916 123 Q CA -0.339 55.566 55.803 0.171 0.000 0.932 123 Q CB 1.175 29.959 28.738 0.077 0.000 1.207 123 Q HN 0.164 nan 8.270 nan 0.000 0.426 124 A N 2.659 125.593 122.820 0.191 0.000 2.425 124 A HA 0.627 4.947 4.320 -0.000 0.000 0.242 124 A C 0.264 177.953 177.584 0.174 0.000 1.077 124 A CA 0.677 52.798 52.037 0.141 0.000 0.781 124 A CB 0.336 19.381 19.000 0.075 0.000 1.020 124 A HN 0.881 nan 8.150 nan 0.000 0.494 125 G N 0.111 108.903 108.800 -0.013 0.000 2.506 125 G HA2 0.581 4.541 3.960 -0.000 0.000 0.292 125 G HA3 0.581 4.541 3.960 -0.000 0.000 0.292 125 G C -1.375 173.177 174.900 -0.579 0.000 1.425 125 G CA -0.631 44.343 45.100 -0.210 0.000 0.788 125 G HN 0.854 nan 8.290 nan 0.000 0.490 126 H N -0.892 117.851 119.070 -0.546 0.000 2.960 126 H HA 0.337 4.893 4.556 -0.000 0.000 0.338 126 H C 0.551 175.476 175.328 -0.673 0.000 1.261 126 H CA -0.288 55.529 56.048 -0.386 0.000 1.136 126 H CB 2.427 32.078 29.762 -0.186 0.000 1.875 126 H HN 0.649 nan 8.280 nan 0.000 0.550 127 D N 0.855 121.178 120.400 -0.128 0.000 2.154 127 D HA -0.187 4.453 4.640 -0.000 0.000 0.190 127 D C 1.845 178.023 176.300 -0.203 0.000 1.003 127 D CA 1.614 55.550 54.000 -0.106 0.000 0.849 127 D CB 0.086 40.839 40.800 -0.079 0.000 0.942 127 D HN 0.525 nan 8.370 nan 0.000 0.446 128 I N 0.331 120.805 120.570 -0.159 0.000 2.335 128 I HA -0.320 3.850 4.170 -0.000 0.000 0.251 128 I C 1.638 177.673 176.117 -0.136 0.000 1.129 128 I CA 1.391 62.627 61.300 -0.106 0.000 1.402 128 I CB -0.165 37.797 38.000 -0.064 0.000 1.069 128 I HN 0.068 nan 8.210 nan 0.000 0.424 129 N N -0.398 118.121 118.700 -0.302 0.000 2.142 129 N HA -0.205 4.535 4.740 -0.000 0.000 0.186 129 N C 1.543 176.918 175.510 -0.226 0.000 1.023 129 N CA 1.545 54.434 53.050 -0.268 0.000 0.852 129 N CB -0.276 37.996 38.487 -0.358 0.000 0.998 129 N HN 0.333 nan 8.380 nan 0.000 0.424 130 Y N 1.125 121.267 120.300 -0.264 0.000 2.314 130 Y HA 0.041 4.591 4.550 -0.000 0.000 0.293 130 Y C 2.051 177.915 175.900 -0.061 0.000 1.129 130 Y CA 0.265 58.127 58.100 -0.396 0.000 1.201 130 Y CB -0.742 37.379 38.460 -0.565 0.000 0.999 130 Y HN 0.175 nan 8.280 nan 0.000 0.541 131 I N -2.000 118.614 120.570 0.074 0.000 3.251 131 I HA -0.013 4.157 4.170 -0.000 0.000 0.277 131 I C 1.934 178.117 176.117 0.110 0.000 1.268 131 I CA 1.066 62.420 61.300 0.090 0.000 1.449 131 I CB -0.485 37.548 38.000 0.055 0.000 1.083 131 I HN 0.113 nan 8.210 nan 0.000 0.464 132 S N 1.369 117.134 115.700 0.108 0.000 2.406 132 S HA 0.037 4.507 4.470 -0.000 0.000 0.228 132 S C 1.938 176.637 174.600 0.166 0.000 1.020 132 S CA 0.488 58.763 58.200 0.126 0.000 0.965 132 S CB -0.575 62.686 63.200 0.102 0.000 0.798 132 S HN 0.534 nan 8.310 nan 0.000 0.488 133 L N 2.366 123.728 121.223 0.231 0.000 2.418 133 L HA 0.147 4.487 4.340 -0.000 0.000 0.218 133 L C 1.442 178.438 176.870 0.210 0.000 1.125 133 L CA 1.002 55.986 54.840 0.240 0.000 0.835 133 L CB -0.412 41.870 42.059 0.372 0.000 0.953 133 L HN 0.693 nan 8.230 nan 0.000 0.454 134 N N -2.101 116.729 118.700 0.217 0.000 2.235 134 N HA 0.111 4.851 4.740 -0.000 0.000 0.231 134 N C 1.149 176.828 175.510 0.281 0.000 1.177 134 N CA 0.584 53.781 53.050 0.245 0.000 0.874 134 N CB 1.150 39.772 38.487 0.226 0.000 1.097 134 N HN 0.104 nan 8.380 nan 0.000 0.518 135 G N 1.616 110.526 108.800 0.184 0.000 2.268 135 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.240 135 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.240 135 G C 0.788 175.736 174.900 0.080 0.000 1.010 135 G CA 0.379 45.540 45.100 0.102 0.000 0.618 135 G HN 0.306 nan 8.290 nan 0.000 0.516 136 I N 0.261 120.888 120.570 0.096 0.000 2.099 136 I HA -0.162 4.008 4.170 -0.000 0.000 0.239 136 I C 2.642 178.810 176.117 0.085 0.000 1.066 136 I CA 1.839 63.178 61.300 0.065 0.000 1.324 136 I CB -0.399 37.642 38.000 0.068 0.000 1.037 136 I HN 0.315 nan 8.210 nan 0.000 0.401 137 L N 0.352 121.633 121.223 0.097 0.000 2.042 137 L HA -0.288 4.052 4.340 -0.000 0.000 0.210 137 L C 2.671 179.598 176.870 0.094 0.000 1.076 137 L CA 1.992 56.880 54.840 0.080 0.000 0.749 137 L CB -1.105 40.996 42.059 0.071 0.000 0.893 137 L HN 0.328 nan 8.230 nan 0.000 0.432 138 H N -0.299 118.793 119.070 0.036 0.000 2.460 138 H HA -0.116 4.440 4.556 -0.000 0.000 0.297 138 H C 1.590 176.942 175.328 0.039 0.000 1.103 138 H CA 1.429 57.497 56.048 0.033 0.000 1.292 138 H CB 0.281 30.064 29.762 0.035 0.000 1.376 138 H HN 0.493 nan 8.280 nan 0.000 0.531 139 A N 0.363 123.283 122.820 0.166 0.000 2.275 139 A HA 0.251 4.571 4.320 -0.000 0.000 0.212 139 A C 0.828 178.471 177.584 0.099 0.000 1.201 139 A CA -0.226 51.910 52.037 0.165 0.000 0.843 139 A CB 0.055 19.190 19.000 0.226 0.000 0.873 139 A HN 0.231 nan 8.150 nan 0.000 0.492 140 I N -0.005 120.591 120.570 0.043 0.000 2.378 140 I HA 0.589 4.759 4.170 -0.000 0.000 0.291 140 I C 0.617 176.727 176.117 -0.011 0.000 0.992 140 I CA 0.044 61.362 61.300 0.029 0.000 1.154 140 I CB 1.611 39.629 38.000 0.031 0.000 1.315 140 I HN 0.353 nan 8.210 nan 0.000 0.448 141 G N 5.191 113.981 108.800 -0.016 0.000 2.371 141 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.663 141 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.663 141 G C -1.106 173.762 174.900 -0.054 0.000 1.311 141 G CA -1.135 43.939 45.100 -0.043 0.000 0.985 141 G HN 0.420 nan 8.290 nan 0.000 0.566 142 R N 0.152 120.613 120.500 -0.065 0.000 2.539 142 R HA 0.442 4.782 4.340 -0.000 0.000 0.275 142 R C 1.863 178.122 176.300 -0.068 0.000 1.077 142 R CA 0.164 56.223 56.100 -0.069 0.000 1.097 142 R CB 0.576 30.834 30.300 -0.071 0.000 1.018 142 R HN 1.146 nan 8.270 nan 0.000 0.483 143 G N 1.425 110.187 108.800 -0.064 0.000 2.462 143 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.220 143 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.220 143 G C 0.460 175.326 174.900 -0.055 0.000 1.121 143 G CA 1.065 46.128 45.100 -0.062 0.000 0.758 143 G HN 0.727 nan 8.290 nan 0.000 0.559 144 D N -0.528 119.843 120.400 -0.048 0.000 2.339 144 D HA 0.185 4.825 4.640 -0.000 0.000 0.217 144 D C 0.929 177.206 176.300 -0.039 0.000 1.050 144 D CA 0.094 54.071 54.000 -0.038 0.000 0.856 144 D CB 0.150 40.931 40.800 -0.031 0.000 0.922 144 D HN 0.645 nan 8.370 nan 0.000 0.518 145 E N -0.086 120.085 120.200 -0.049 0.000 2.459 145 E HA 0.350 4.700 4.350 -0.000 0.000 0.275 145 E C -0.560 176.005 176.600 -0.059 0.000 0.987 145 E CA -1.473 54.899 56.400 -0.046 0.000 0.828 145 E CB 0.965 30.641 29.700 -0.040 0.000 1.428 145 E HN 0.033 nan 8.360 nan 0.000 0.457 146 R N -0.270 120.201 120.500 -0.049 0.000 2.694 146 R HA 0.316 4.656 4.340 -0.000 0.000 0.268 146 R C -2.296 173.966 176.300 -0.062 0.000 1.061 146 R CA -1.337 54.730 56.100 -0.054 0.000 1.133 146 R CB -0.794 29.487 30.300 -0.032 0.000 1.020 146 R HN 0.194 nan 8.270 nan 0.000 0.475 147 P HA -0.061 nan 4.420 nan 0.000 0.267 147 P C -0.812 176.467 177.300 -0.035 0.000 1.200 147 P CA -0.289 62.773 63.100 -0.063 0.000 0.772 147 P CB 0.698 32.364 31.700 -0.058 0.000 0.855 148 V N 4.083 123.980 119.914 -0.028 0.000 2.555 148 V HA 0.490 4.609 4.120 -0.000 0.000 0.302 148 V C -2.405 173.683 176.094 -0.009 0.000 1.038 148 V CA -2.803 59.485 62.300 -0.021 0.000 0.887 148 V CB 1.740 33.546 31.823 -0.028 0.000 0.991 148 V HN 0.455 nan 8.190 nan 0.000 0.434 149 P HA 0.285 nan 4.420 nan 0.000 0.271 149 P C -2.664 174.641 177.300 0.008 0.000 1.216 149 P CA -1.549 61.552 63.100 0.000 0.000 0.771 149 P CB 0.011 31.707 31.700 -0.006 0.000 0.864 150 P HA 0.141 nan 4.420 nan 0.000 0.220 150 P C 0.426 177.753 177.300 0.045 0.000 1.806 150 P CA -0.091 63.027 63.100 0.030 0.000 0.976 150 P CB -0.412 31.310 31.700 0.036 0.000 1.952 151 L N -0.958 120.290 121.223 0.043 0.000 6.641 151 L HA -0.325 4.015 4.340 -0.000 0.000 0.053 151 L C 1.038 177.926 176.870 0.030 0.000 1.672 151 L CA 1.603 56.475 54.840 0.054 0.000 1.732 151 L CB -1.370 40.750 42.059 0.101 0.000 2.658 151 L HN 0.362 nan 8.230 nan 0.000 1.033 152 N N 0.243 118.963 118.700 0.034 0.000 2.458 152 N HA 0.252 4.992 4.740 -0.000 0.000 0.274 152 N C 0.596 176.081 175.510 -0.041 0.000 1.242 152 N CA -0.096 52.921 53.050 -0.055 0.000 0.904 152 N CB 0.209 38.609 38.487 -0.143 0.000 1.206 152 N HN 0.634 nan 8.380 nan 0.000 0.510 153 L N -0.620 120.661 121.223 0.097 0.000 2.313 153 L HA 0.066 4.406 4.340 -0.000 0.000 0.214 153 L C 1.629 178.578 176.870 0.132 0.000 1.119 153 L CA 0.542 55.501 54.840 0.198 0.000 0.809 153 L CB 0.171 42.332 42.059 0.171 0.000 0.933 153 L HN 0.055 nan 8.230 nan 0.000 0.449 154 V N -1.095 118.855 119.914 0.060 0.000 2.672 154 V HA 0.101 4.221 4.120 -0.000 0.000 0.242 154 V C 2.304 178.419 176.094 0.034 0.000 1.059 154 V CA 1.391 63.728 62.300 0.062 0.000 1.081 154 V CB -0.248 31.607 31.823 0.053 0.000 0.752 154 V HN 0.430 nan 8.190 nan 0.000 0.472 155 G N -0.306 108.485 108.800 -0.016 0.000 2.473 155 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.212 155 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.212 155 G C 1.147 175.982 174.900 -0.107 0.000 1.211 155 G CA 0.764 45.848 45.100 -0.026 0.000 0.813 155 G HN 0.423 nan 8.290 nan 0.000 0.541 156 D N -0.066 120.169 120.400 -0.275 0.000 2.117 156 D HA -0.022 4.618 4.640 -0.000 0.000 0.197 156 D C 1.977 177.985 176.300 -0.486 0.000 0.987 156 D CA 0.919 54.581 54.000 -0.563 0.000 0.829 156 D CB -0.049 40.043 40.800 -1.180 0.000 0.961 156 D HN 0.307 nan 8.370 nan 0.000 0.460 157 F N -0.437 119.512 119.950 -0.003 0.000 2.484 157 F HA 0.303 4.830 4.527 -0.000 0.000 0.268 157 F C 2.552 178.407 175.800 0.092 0.000 0.965 157 F CA 0.425 58.410 58.000 -0.025 0.000 1.119 157 F CB -1.138 37.737 39.000 -0.207 0.000 1.153 157 F HN -0.092 nan 8.300 nan 0.000 0.689 158 G N -0.350 108.615 108.800 0.276 0.000 2.440 158 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.218 158 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.218 158 G C 1.672 176.786 174.900 0.357 0.000 1.154 158 G CA 1.029 46.280 45.100 0.251 0.000 0.767 158 G HN 0.549 nan 8.290 nan 0.000 0.552 159 G N -0.691 108.272 108.800 0.272 0.000 3.502 159 G HA2 0.487 4.447 3.960 -0.000 0.000 0.267 159 G HA3 0.487 4.447 3.960 -0.000 0.000 0.267 159 G C 0.741 175.737 174.900 0.160 0.000 1.090 159 G CA 0.931 46.170 45.100 0.232 0.000 0.795 159 G HN 0.660 nan 8.290 nan 0.000 0.535 160 G N 0.648 109.583 108.800 0.224 0.000 2.543 160 G HA2 0.198 4.158 3.960 -0.000 0.000 0.202 160 G HA3 0.198 4.158 3.960 -0.000 0.000 0.202 160 G C 1.884 176.909 174.900 0.209 0.000 1.897 160 G CA 1.096 46.268 45.100 0.120 0.000 0.726 160 G HN 0.426 nan 8.290 nan 0.000 0.804 161 S N 0.591 116.444 115.700 0.254 0.000 2.374 161 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 161 S C 2.394 177.137 174.600 0.238 0.000 1.037 161 S CA 2.080 60.456 58.200 0.294 0.000 1.024 161 S CB -0.414 63.109 63.200 0.538 0.000 0.861 161 S HN 0.146 nan 8.310 nan 0.000 0.456 162 M N 0.593 120.346 119.600 0.255 0.000 2.117 162 M HA 0.096 4.576 4.480 -0.000 0.000 0.262 162 M C 1.958 178.229 176.300 -0.048 0.000 1.065 162 M CA 1.172 56.525 55.300 0.088 0.000 1.114 162 M CB -1.687 30.941 32.600 0.046 0.000 1.361 162 M HN 0.338 nan 8.290 nan 0.000 0.408 163 F N -0.071 119.916 119.950 0.062 0.000 2.259 163 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 163 F C 2.247 178.066 175.800 0.032 0.000 1.088 163 F CA 0.610 58.633 58.000 0.037 0.000 1.358 163 F CB -0.731 38.282 39.000 0.023 0.000 1.040 163 F HN 0.044 nan 8.300 nan 0.000 0.505 164 L N -0.085 121.252 121.223 0.190 0.000 2.017 164 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 164 L C 2.104 179.016 176.870 0.070 0.000 1.073 164 L CA 1.687 56.594 54.840 0.112 0.000 0.745 164 L CB -0.648 41.465 42.059 0.090 0.000 0.894 164 L HN 0.089 nan 8.230 nan 0.000 0.432 165 L N -1.895 119.358 121.223 0.051 0.000 1.989 165 L HA -0.246 4.094 4.340 -0.000 0.000 0.211 165 L C 2.448 179.318 176.870 -0.001 0.000 1.071 165 L CA 1.332 56.181 54.840 0.014 0.000 0.749 165 L CB -0.747 41.312 42.059 -0.002 0.000 0.890 165 L HN 0.087 nan 8.230 nan 0.000 0.431 166 V N 0.293 120.185 119.914 -0.035 0.000 2.282 166 V HA -0.294 3.826 4.120 -0.000 0.000 0.249 166 V C 2.618 178.719 176.094 0.013 0.000 1.057 166 V CA 2.183 64.455 62.300 -0.046 0.000 1.032 166 V CB -1.396 30.346 31.823 -0.134 0.000 0.645 166 V HN 0.622 nan 8.190 nan 0.000 0.447 167 G N -0.330 108.501 108.800 0.053 0.000 2.446 167 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 167 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 167 G C 1.576 176.512 174.900 0.061 0.000 1.168 167 G CA 1.277 46.421 45.100 0.072 0.000 0.771 167 G HN 0.494 nan 8.290 nan 0.000 0.551 168 I N 0.334 120.934 120.570 0.049 0.000 2.127 168 I HA -0.157 4.012 4.170 -0.000 0.000 0.241 168 I C 2.704 178.847 176.117 0.043 0.000 1.075 168 I CA 0.941 62.265 61.300 0.041 0.000 1.334 168 I CB -0.189 37.825 38.000 0.024 0.000 1.040 168 I HN 0.127 nan 8.210 nan 0.000 0.405 169 L N 0.075 121.320 121.223 0.036 0.000 2.156 169 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 169 L C 2.767 179.687 176.870 0.083 0.000 1.095 169 L CA 0.882 55.750 54.840 0.046 0.000 0.770 169 L CB -0.695 41.379 42.059 0.025 0.000 0.914 169 L HN 0.208 nan 8.230 nan 0.000 0.439 170 A N 0.400 123.261 122.820 0.069 0.000 1.902 170 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 170 A C 2.544 180.228 177.584 0.167 0.000 1.181 170 A CA 1.650 53.746 52.037 0.098 0.000 0.623 170 A CB -0.593 18.438 19.000 0.051 0.000 0.818 170 A HN 0.370 nan 8.150 nan 0.000 0.443 171 A N -0.440 122.450 122.820 0.116 0.000 1.969 171 A HA 0.028 4.348 4.320 -0.000 0.000 0.218 171 A C 2.129 179.771 177.584 0.096 0.000 1.169 171 A CA 1.367 53.466 52.037 0.103 0.000 0.635 171 A CB -0.509 18.536 19.000 0.076 0.000 0.810 171 A HN 0.466 nan 8.150 nan 0.000 0.445 172 L N -1.449 119.832 121.223 0.096 0.000 2.056 172 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 172 L C 2.605 179.534 176.870 0.098 0.000 1.078 172 L CA 1.289 56.171 54.840 0.070 0.000 0.749 172 L CB -0.501 41.589 42.059 0.053 0.000 0.901 172 L HN 0.818 nan 8.230 nan 0.000 0.433 173 W N 1.524 122.817 121.300 -0.011 0.000 2.335 173 W HA -0.240 4.420 4.660 -0.000 0.000 0.311 173 W C 2.218 178.733 176.519 -0.006 0.000 1.213 173 W CA 1.891 59.231 57.345 -0.009 0.000 1.274 173 W CB -0.208 29.249 29.460 -0.005 0.000 1.148 173 W HN 0.263 nan 8.180 nan 0.000 0.498 174 E N 1.166 121.443 120.200 0.129 0.000 2.085 174 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 174 E C 2.268 178.804 176.600 -0.107 0.000 0.994 174 E CA 1.482 57.887 56.400 0.009 0.000 0.801 174 E CB -0.566 29.198 29.700 0.107 0.000 0.743 174 E HN 0.316 nan 8.360 nan 0.000 0.453 175 R N 0.244 120.704 120.500 -0.066 0.000 2.200 175 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 175 R C 2.396 178.617 176.300 -0.132 0.000 1.127 175 R CA 1.341 57.396 56.100 -0.076 0.000 0.989 175 R CB 0.019 30.294 30.300 -0.042 0.000 0.869 175 R HN 0.289 nan 8.270 nan 0.000 0.459 176 Q N -0.673 118.996 119.800 -0.218 0.000 2.135 176 Q HA -0.160 4.180 4.340 -0.000 0.000 0.204 176 Q C 1.911 177.770 176.000 -0.236 0.000 0.981 176 Q CA 2.119 57.765 55.803 -0.261 0.000 0.856 176 Q CB 0.088 28.562 28.738 -0.439 0.000 0.902 176 Q HN 0.439 nan 8.270 nan 0.000 0.425 177 S N -1.027 114.525 115.700 -0.245 0.000 2.527 177 S HA 0.021 4.491 4.470 -0.000 0.000 0.227 177 S C 1.963 176.498 174.600 -0.109 0.000 1.059 177 S CA 0.332 58.425 58.200 -0.177 0.000 0.919 177 S CB 0.180 63.264 63.200 -0.193 0.000 0.805 177 S HN 0.309 nan 8.310 nan 0.000 0.500 178 S N 1.046 116.690 115.700 -0.094 0.000 2.478 178 S HA 0.406 4.876 4.470 -0.000 0.000 0.222 178 S C 1.841 176.411 174.600 -0.050 0.000 1.008 178 S CA 0.732 58.898 58.200 -0.057 0.000 0.928 178 S CB -0.720 62.458 63.200 -0.037 0.000 0.781 178 S HN 1.498 nan 8.310 nan 0.000 0.518 179 G N 0.648 109.412 108.800 -0.061 0.000 2.162 179 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 179 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 179 G C -0.065 174.815 174.900 -0.035 0.000 0.976 179 G CA 0.627 45.697 45.100 -0.050 0.000 0.655 179 G HN 0.659 nan 8.290 nan 0.000 0.533 180 K N -0.529 119.854 120.400 -0.028 0.000 2.435 180 K HA 0.633 4.953 4.320 -0.000 0.000 0.251 180 K C 0.889 177.489 176.600 -0.001 0.000 0.954 180 K CA -0.220 56.060 56.287 -0.012 0.000 0.820 180 K CB 1.834 34.330 32.500 -0.008 0.000 1.292 180 K HN 0.290 nan 8.250 nan 0.000 0.436 181 G N 0.516 109.323 108.800 0.012 0.000 2.509 181 G HA2 0.465 4.425 3.960 -0.000 0.000 0.269 181 G HA3 0.465 4.425 3.960 -0.000 0.000 0.269 181 G C -0.804 174.118 174.900 0.037 0.000 1.416 181 G CA 0.061 45.179 45.100 0.030 0.000 1.052 181 G HN 0.652 nan 8.290 nan 0.000 0.542 182 Q N -3.495 116.339 119.800 0.057 0.000 2.894 182 Q HA 0.430 4.770 4.340 -0.000 0.000 0.328 182 Q C -1.980 174.072 176.000 0.086 0.000 0.807 182 Q CA -0.898 54.937 55.803 0.055 0.000 0.831 182 Q CB 1.120 29.883 28.738 0.042 0.000 1.389 182 Q HN 0.439 nan 8.270 nan 0.000 0.489 183 V N 1.220 121.173 119.914 0.066 0.000 2.427 183 V HA 0.464 4.584 4.120 -0.000 0.000 0.286 183 V C -0.504 175.641 176.094 0.085 0.000 1.034 183 V CA -0.661 61.693 62.300 0.090 0.000 0.893 183 V CB 1.469 33.302 31.823 0.016 0.000 0.982 183 V HN 0.507 nan 8.190 nan 0.000 0.452 184 V N 3.827 123.808 119.914 0.111 0.000 2.347 184 V HA 0.311 4.431 4.120 -0.000 0.000 0.280 184 V C -0.274 175.871 176.094 0.086 0.000 1.021 184 V CA -0.419 61.934 62.300 0.089 0.000 0.847 184 V CB 1.643 33.518 31.823 0.087 0.000 0.990 184 V HN 0.957 nan 8.190 nan 0.000 0.444 185 D N 5.023 125.460 120.400 0.061 0.000 2.467 185 D HA 0.486 5.126 4.640 -0.000 0.000 0.220 185 D C 0.062 176.381 176.300 0.031 0.000 1.103 185 D CA -0.190 53.837 54.000 0.045 0.000 0.886 185 D CB 1.279 42.097 40.800 0.030 0.000 1.025 185 D HN 0.642 nan 8.370 nan 0.000 0.514 186 A N 3.236 126.073 122.820 0.029 0.000 2.280 186 A HA 0.688 5.008 4.320 -0.000 0.000 0.320 186 A C -0.101 177.456 177.584 -0.045 0.000 1.366 186 A CA -0.602 51.445 52.037 0.016 0.000 0.938 186 A CB 0.521 19.558 19.000 0.060 0.000 1.157 186 A HN 0.618 nan 8.150 nan 0.000 0.536 187 A N 3.053 125.823 122.820 -0.084 0.000 2.304 187 A HA 0.599 4.919 4.320 -0.000 0.000 0.323 187 A C 0.904 178.359 177.584 -0.214 0.000 1.195 187 A CA -0.617 51.328 52.037 -0.153 0.000 0.826 187 A CB 0.394 19.336 19.000 -0.096 0.000 1.184 187 A HN 0.861 nan 8.150 nan 0.000 0.496 188 M N 2.351 121.755 119.600 -0.327 0.000 2.213 188 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 188 M C 1.921 178.087 176.300 -0.224 0.000 1.062 188 M CA 1.398 56.519 55.300 -0.299 0.000 1.105 188 M CB -0.255 32.100 32.600 -0.408 0.000 1.385 188 M HN 0.655 nan 8.290 nan 0.000 0.417 189 V N 0.661 120.449 119.914 -0.210 0.000 2.490 189 V HA -0.267 3.853 4.120 -0.000 0.000 0.250 189 V C 1.524 177.581 176.094 -0.060 0.000 1.061 189 V CA 2.148 64.429 62.300 -0.031 0.000 1.064 189 V CB -0.357 31.568 31.823 0.171 0.000 0.670 189 V HN 0.404 nan 8.190 nan 0.000 0.461 190 D N 0.281 120.604 120.400 -0.129 0.000 2.106 190 D HA -0.003 4.637 4.640 -0.000 0.000 0.203 190 D C 2.122 178.207 176.300 -0.357 0.000 0.977 190 D CA 1.573 55.462 54.000 -0.185 0.000 0.844 190 D CB -0.997 39.703 40.800 -0.165 0.000 1.002 190 D HN 0.488 nan 8.370 nan 0.000 0.461 191 G N 0.844 109.327 108.800 -0.528 0.000 2.476 191 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.218 191 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.218 191 G C 1.727 176.141 174.900 -0.811 0.000 1.164 191 G CA 2.064 46.437 45.100 -1.212 0.000 0.768 191 G HN 0.417 nan 8.290 nan 0.000 0.560 192 S N 0.407 115.915 115.700 -0.320 0.000 2.423 192 S HA -0.062 4.408 4.470 -0.000 0.000 0.231 192 S C 2.406 176.985 174.600 -0.036 0.000 1.014 192 S CA 1.699 59.840 58.200 -0.098 0.000 0.965 192 S CB -0.325 62.865 63.200 -0.018 0.000 0.785 192 S HN 0.261 nan 8.310 nan 0.000 0.495 193 S N 1.641 117.305 115.700 -0.060 0.000 2.368 193 S HA -0.010 4.460 4.470 -0.000 0.000 0.224 193 S C 1.946 176.563 174.600 0.029 0.000 1.029 193 S CA 1.225 59.450 58.200 0.042 0.000 0.988 193 S CB -0.603 62.577 63.200 -0.035 0.000 0.838 193 S HN 0.455 nan 8.310 nan 0.000 0.462 194 V N 1.852 121.707 119.914 -0.097 0.000 2.427 194 V HA -0.107 4.013 4.120 -0.000 0.000 0.248 194 V C 2.231 178.407 176.094 0.138 0.000 1.051 194 V CA 1.192 63.492 62.300 0.001 0.000 1.048 194 V CB -0.729 31.079 31.823 -0.026 0.000 0.666 194 V HN 0.310 nan 8.190 nan 0.000 0.456 195 L N -0.303 121.004 121.223 0.140 0.000 2.043 195 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 195 L C 1.907 178.850 176.870 0.121 0.000 1.075 195 L CA 1.986 56.956 54.840 0.216 0.000 0.752 195 L CB -0.308 41.885 42.059 0.223 0.000 0.891 195 L HN 0.293 nan 8.230 nan 0.000 0.432 196 I N -0.894 119.739 120.570 0.106 0.000 3.855 196 I HA -0.041 4.129 4.170 -0.000 0.000 0.327 196 I C 1.827 178.015 176.117 0.117 0.000 1.359 196 I CA 0.030 61.360 61.300 0.051 0.000 1.142 196 I CB -0.212 37.790 38.000 0.003 0.000 1.041 196 I HN 0.405 nan 8.210 nan 0.000 0.403 197 Q N 0.920 120.820 119.800 0.168 0.000 2.181 197 Q HA -0.271 4.069 4.340 -0.000 0.000 0.205 197 Q C 2.022 178.091 176.000 0.115 0.000 0.980 197 Q CA 1.905 57.831 55.803 0.205 0.000 0.862 197 Q CB -0.120 28.693 28.738 0.124 0.000 0.905 197 Q HN 0.633 nan 8.270 nan 0.000 0.429 198 M N -0.511 119.097 119.600 0.013 0.000 2.106 198 M HA -0.263 4.217 4.480 -0.000 0.000 0.259 198 M C 1.870 178.085 176.300 -0.142 0.000 1.068 198 M CA 1.720 56.989 55.300 -0.052 0.000 1.100 198 M CB 0.022 32.567 32.600 -0.092 0.000 1.351 198 M HN 0.203 nan 8.290 nan 0.000 0.404 199 M N -1.164 118.249 119.600 -0.311 0.000 2.175 199 M HA -0.136 4.344 4.480 -0.000 0.000 0.264 199 M C 1.480 177.574 176.300 -0.345 0.000 1.063 199 M CA 1.971 56.920 55.300 -0.585 0.000 1.119 199 M CB -0.740 31.266 32.600 -0.990 0.000 1.377 199 M HN 0.385 nan 8.290 nan 0.000 0.415 200 W N -0.350 120.872 121.300 -0.131 0.000 2.363 200 W HA -0.088 4.572 4.660 -0.000 0.000 0.296 200 W C 2.519 179.025 176.519 -0.021 0.000 1.212 200 W CA 1.167 58.480 57.345 -0.053 0.000 1.260 200 W CB -0.555 28.880 29.460 -0.042 0.000 1.131 200 W HN 0.219 nan 8.180 nan 0.000 0.530 201 A N -0.204 122.725 122.820 0.182 0.000 1.898 201 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 201 A C 1.925 179.565 177.584 0.093 0.000 1.181 201 A CA 1.695 53.803 52.037 0.118 0.000 0.620 201 A CB -0.759 18.288 19.000 0.078 0.000 0.819 201 A HN 0.246 nan 8.150 nan 0.000 0.442 202 M N -1.399 118.241 119.600 0.066 0.000 2.254 202 M HA -0.088 4.392 4.480 -0.000 0.000 0.265 202 M C 2.348 178.735 176.300 0.145 0.000 1.066 202 M CA 1.025 56.387 55.300 0.105 0.000 1.123 202 M CB -0.306 32.373 32.600 0.131 0.000 1.388 202 M HN 0.347 nan 8.290 nan 0.000 0.425 203 R N 0.259 120.840 120.500 0.134 0.000 2.103 203 R HA -0.155 4.185 4.340 -0.000 0.000 0.242 203 R C 2.180 178.551 176.300 0.118 0.000 1.142 203 R CA 1.750 57.932 56.100 0.137 0.000 0.960 203 R CB -0.440 29.911 30.300 0.085 0.000 0.858 203 R HN 0.379 nan 8.270 nan 0.000 0.439 204 A N 0.167 123.061 122.820 0.122 0.000 2.066 204 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 204 A C 1.706 179.335 177.584 0.075 0.000 1.157 204 A CA 1.577 53.675 52.037 0.102 0.000 0.670 204 A CB -0.145 18.918 19.000 0.106 0.000 0.804 204 A HN 0.465 nan 8.150 nan 0.000 0.453 205 T N -4.958 109.641 114.554 0.075 0.000 3.215 205 T HA 0.450 4.800 4.350 -0.000 0.000 0.271 205 T C 1.086 175.818 174.700 0.054 0.000 1.012 205 T CA 0.808 62.942 62.100 0.058 0.000 0.899 205 T CB -0.014 68.888 68.868 0.055 0.000 1.089 205 T HN 1.565 nan 8.240 nan 0.000 0.552 206 G N 1.839 110.673 108.800 0.058 0.000 2.153 206 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.252 206 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.252 206 G C 0.496 175.423 174.900 0.045 0.000 0.994 206 G CA 0.531 45.655 45.100 0.040 0.000 0.698 206 G HN 0.580 nan 8.290 nan 0.000 0.521 207 M N -1.199 118.456 119.600 0.091 0.000 2.333 207 M HA 0.367 4.847 4.480 -0.000 0.000 0.257 207 M C 0.364 176.797 176.300 0.222 0.000 1.078 207 M CA 0.019 55.391 55.300 0.120 0.000 1.005 207 M CB 0.631 33.307 32.600 0.127 0.000 1.444 207 M HN 0.338 nan 8.290 nan 0.000 0.496 208 W N 0.865 122.148 121.300 -0.028 0.000 3.425 208 W HA 0.378 5.038 4.660 -0.000 0.000 0.318 208 W C -1.198 175.290 176.519 -0.051 0.000 1.201 208 W CA -0.561 56.756 57.345 -0.047 0.000 1.212 208 W CB 1.767 31.181 29.460 -0.077 0.000 1.355 208 W HN -0.037 nan 8.180 nan 0.000 0.515 209 T N 0.034 114.361 114.554 -0.379 0.000 2.942 209 T HA 0.285 4.635 4.350 -0.000 0.000 0.289 209 T C 0.125 174.757 174.700 -0.114 0.000 1.044 209 T CA -0.421 61.576 62.100 -0.172 0.000 1.023 209 T CB 2.054 70.811 68.868 -0.186 0.000 1.123 209 T HN 0.236 nan 8.240 nan 0.000 0.512 210 D N 0.884 121.276 120.400 -0.013 0.000 2.363 210 D HA 0.127 4.767 4.640 -0.000 0.000 0.226 210 D C 0.327 176.684 176.300 0.095 0.000 1.020 210 D CA 0.525 54.555 54.000 0.051 0.000 0.892 210 D CB -0.222 40.581 40.800 0.005 0.000 0.900 210 D HN 0.590 nan 8.370 nan 0.000 0.531 211 T N 1.127 115.676 114.554 -0.008 0.000 2.779 211 T HA 0.118 4.468 4.350 -0.000 0.000 0.296 211 T C 0.549 175.223 174.700 -0.043 0.000 0.938 211 T CA -0.491 61.602 62.100 -0.012 0.000 1.119 211 T CB 1.316 70.148 68.868 -0.060 0.000 0.891 211 T HN 0.008 nan 8.240 nan 0.000 0.526 212 R N 2.207 122.690 120.500 -0.028 0.000 2.537 212 R HA 0.375 4.715 4.340 -0.000 0.000 0.280 212 R C 1.271 177.528 176.300 -0.072 0.000 1.058 212 R CA 0.986 57.052 56.100 -0.056 0.000 1.057 212 R CB -0.088 30.133 30.300 -0.132 0.000 0.973 212 R HN 0.940 nan 8.270 nan 0.000 0.438 213 G N 2.137 110.896 108.800 -0.068 0.000 2.179 213 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.257 213 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.257 213 G C 0.170 175.016 174.900 -0.090 0.000 1.010 213 G CA 0.347 45.402 45.100 -0.076 0.000 0.736 213 G HN 0.837 nan 8.290 nan 0.000 0.513 214 A N -0.541 122.195 122.820 -0.139 0.000 2.610 214 A HA 0.611 4.931 4.320 -0.000 0.000 0.290 214 A C 0.512 177.976 177.584 -0.199 0.000 1.001 214 A CA 0.028 51.999 52.037 -0.111 0.000 1.004 214 A CB 0.393 19.333 19.000 -0.099 0.000 1.220 214 A HN 0.327 nan 8.150 nan 0.000 0.507 215 N N -1.286 117.227 118.700 -0.310 0.000 3.038 215 N HA 0.323 5.063 4.740 -0.000 0.000 0.307 215 N C 0.723 176.071 175.510 -0.271 0.000 1.441 215 N CA -0.615 52.116 53.050 -0.532 0.000 0.772 215 N CB 1.011 38.573 38.487 -1.542 0.000 1.651 215 N HN 0.212 nan 8.380 nan 0.000 0.593 216 M N 0.210 119.687 119.600 -0.206 0.000 2.175 216 M HA 0.069 4.549 4.480 -0.000 0.000 0.264 216 M C 0.516 176.713 176.300 -0.171 0.000 1.063 216 M CA 1.821 57.089 55.300 -0.054 0.000 1.119 216 M CB 0.117 32.768 32.600 0.085 0.000 1.377 216 M HN 0.401 nan 8.290 nan 0.000 0.415 217 L N -0.432 120.783 121.223 -0.014 0.000 3.069 217 L HA 0.186 4.526 4.340 -0.000 0.000 0.271 217 L C 0.408 177.376 176.870 0.164 0.000 1.201 217 L CA -0.347 54.393 54.840 -0.166 0.000 1.015 217 L CB 0.107 42.083 42.059 -0.139 0.000 1.371 217 L HN 0.254 nan 8.230 nan 0.000 0.574 218 D N -0.760 119.739 120.400 0.165 0.000 2.398 218 D HA 0.161 4.801 4.640 -0.000 0.000 0.210 218 D C 1.377 177.705 176.300 0.046 0.000 1.094 218 D CA 0.595 54.686 54.000 0.151 0.000 0.839 218 D CB 0.802 41.702 40.800 0.167 0.000 0.963 218 D HN 0.153 nan 8.370 nan 0.000 0.506 219 G N -0.424 108.391 108.800 0.025 0.000 2.195 219 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.224 219 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.224 219 G C 1.272 176.074 174.900 -0.164 0.000 0.990 219 G CA 0.170 45.226 45.100 -0.074 0.000 0.639 219 G HN 0.612 nan 8.290 nan 0.000 0.514 220 G N 0.574 109.278 108.800 -0.159 0.000 2.443 220 G HA2 0.406 4.366 3.960 -0.000 0.000 0.219 220 G HA3 0.406 4.366 3.960 -0.000 0.000 0.219 220 G C 0.931 175.567 174.900 -0.440 0.000 1.131 220 G CA 1.593 46.589 45.100 -0.174 0.000 0.775 220 G HN 1.753 nan 8.290 nan 0.000 0.547 221 A N 0.357 122.754 122.820 -0.705 0.000 2.301 221 A HA 0.651 4.971 4.320 -0.000 0.000 0.298 221 A C -1.263 175.666 177.584 -1.092 0.000 1.185 221 A CA -1.347 49.762 52.037 -1.548 0.000 0.830 221 A CB 1.431 19.539 19.000 -1.486 0.000 1.112 221 A HN 0.021 nan 8.150 nan 0.000 0.508 222 P HA -0.130 nan 4.420 nan 0.000 0.225 222 P C 0.361 177.634 177.300 -0.045 0.000 1.148 222 P CA 1.338 64.215 63.100 -0.372 0.000 0.779 222 P CB -0.110 31.456 31.700 -0.223 0.000 0.780 223 Y N -4.741 115.524 120.300 -0.057 0.000 2.468 223 Y HA 0.376 4.926 4.550 -0.000 0.000 0.268 223 Y C 0.139 176.116 175.900 0.128 0.000 1.177 223 Y CA -1.048 57.126 58.100 0.122 0.000 1.265 223 Y CB -0.791 37.786 38.460 0.195 0.000 1.103 223 Y HN -0.140 nan 8.280 nan 0.000 0.522 224 Y N 1.783 121.940 120.300 -0.238 0.000 2.544 224 Y HA 0.518 5.068 4.550 -0.000 0.000 0.347 224 Y C -1.372 174.421 175.900 -0.179 0.000 1.089 224 Y CA -1.138 56.880 58.100 -0.136 0.000 1.230 224 Y CB 0.284 38.653 38.460 -0.152 0.000 1.101 224 Y HN 0.248 nan 8.280 nan 0.000 0.641 225 D N 0.530 120.779 120.400 -0.253 0.000 2.764 225 D HA 0.245 4.885 4.640 -0.000 0.000 0.293 225 D C -0.918 175.198 176.300 -0.306 0.000 1.287 225 D CA -0.111 53.720 54.000 -0.282 0.000 0.768 225 D CB 1.601 42.190 40.800 -0.351 0.000 1.288 225 D HN 0.264 nan 8.370 nan 0.000 0.426 226 T N -1.372 112.970 114.554 -0.354 0.000 2.902 226 T HA 0.731 5.081 4.350 -0.000 0.000 0.280 226 T C -0.615 173.816 174.700 -0.447 0.000 0.992 226 T CA -0.265 61.656 62.100 -0.299 0.000 1.015 226 T CB 0.929 69.631 68.868 -0.276 0.000 1.044 226 T HN 0.288 nan 8.240 nan 0.000 0.520 227 Y N -0.571 119.599 120.300 -0.216 0.000 2.457 227 Y HA 0.444 4.994 4.550 -0.000 0.000 0.343 227 Y C 0.235 176.162 175.900 0.044 0.000 0.994 227 Y CA -1.071 56.933 58.100 -0.161 0.000 1.031 227 Y CB 2.082 40.263 38.460 -0.465 0.000 1.246 227 Y HN 0.828 nan 8.280 nan 0.000 0.449 228 E N 2.275 122.634 120.200 0.265 0.000 2.316 228 E HA 0.377 4.727 4.350 -0.000 0.000 0.275 228 E C -0.814 175.881 176.600 0.158 0.000 1.029 228 E CA -0.232 56.275 56.400 0.178 0.000 0.871 228 E CB 0.564 30.359 29.700 0.159 0.000 1.022 228 E HN 0.689 nan 8.360 nan 0.000 0.418 229 C N 2.499 121.850 119.300 0.086 0.000 2.534 229 C HA 0.488 4.948 4.460 -0.000 0.000 0.398 229 C C 1.843 176.906 174.990 0.122 0.000 1.609 229 C CA -0.070 59.083 59.018 0.225 0.000 1.916 229 C CB 0.726 28.647 27.740 0.302 0.000 1.954 229 C HN 0.981 nan 8.230 nan 0.000 0.508 230 A N 0.927 123.832 122.820 0.142 0.000 2.019 230 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 230 A C 1.503 179.088 177.584 0.002 0.000 1.164 230 A CA 2.205 54.273 52.037 0.051 0.000 0.644 230 A CB -0.546 18.457 19.000 0.006 0.000 0.805 230 A HN 0.951 nan 8.150 nan 0.000 0.449 231 D N -2.140 118.255 120.400 -0.010 0.000 2.328 231 D HA 0.266 4.906 4.640 -0.000 0.000 0.221 231 D C 1.131 177.380 176.300 -0.084 0.000 1.072 231 D CA 0.738 54.714 54.000 -0.040 0.000 0.850 231 D CB -0.638 40.143 40.800 -0.033 0.000 0.922 231 D HN 0.711 nan 8.370 nan 0.000 0.516 232 G N 0.531 109.260 108.800 -0.118 0.000 2.162 232 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.260 232 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.260 232 G C 0.374 174.986 174.900 -0.481 0.000 0.976 232 G CA 0.163 45.138 45.100 -0.209 0.000 0.655 232 G HN 0.466 nan 8.290 nan 0.000 0.533 233 R N -1.266 118.975 120.500 -0.432 0.000 2.608 233 R HA 0.713 5.053 4.340 -0.000 0.000 0.255 233 R C -0.483 175.405 176.300 -0.688 0.000 1.086 233 R CA -0.630 55.134 56.100 -0.559 0.000 1.125 233 R CB 0.657 30.844 30.300 -0.188 0.000 1.193 233 R HN 0.238 nan 8.270 nan 0.000 0.553 234 Y N -0.736 119.572 120.300 0.013 0.000 2.524 234 Y HA 0.468 5.018 4.550 -0.000 0.000 0.344 234 Y C -0.069 175.813 175.900 -0.030 0.000 1.012 234 Y CA -1.175 56.915 58.100 -0.017 0.000 1.068 234 Y CB 1.643 40.062 38.460 -0.068 0.000 1.249 234 Y HN 0.230 nan 8.280 nan 0.000 0.468 235 V N -0.811 119.143 119.914 0.068 0.000 2.815 235 V HA 0.994 5.114 4.120 -0.000 0.000 0.314 235 V C -0.394 175.611 176.094 -0.147 0.000 1.064 235 V CA -1.316 60.943 62.300 -0.068 0.000 0.952 235 V CB 1.411 33.112 31.823 -0.203 0.000 1.020 235 V HN 0.949 nan 8.190 nan 0.000 0.439 236 A N 2.901 125.624 122.820 -0.163 0.000 2.260 236 A HA 0.796 5.115 4.320 -0.000 0.000 0.314 236 A C -0.441 176.995 177.584 -0.247 0.000 1.257 236 A CA -0.584 51.328 52.037 -0.208 0.000 0.871 236 A CB 0.979 19.863 19.000 -0.193 0.000 1.166 236 A HN 1.139 nan 8.150 nan 0.000 0.522 237 V N 1.979 121.751 119.914 -0.237 0.000 2.427 237 V HA 0.691 4.811 4.120 -0.000 0.000 0.286 237 V C 0.935 176.902 176.094 -0.212 0.000 1.034 237 V CA 0.380 62.567 62.300 -0.189 0.000 0.893 237 V CB 1.723 33.498 31.823 -0.081 0.000 0.982 237 V HN 1.166 nan 8.190 nan 0.000 0.452 238 G N 2.842 111.565 108.800 -0.128 0.000 4.921 238 G HA2 0.470 4.430 3.960 -0.000 0.000 0.248 238 G HA3 0.470 4.430 3.960 -0.000 0.000 0.248 238 G C 0.164 175.193 174.900 0.216 0.000 1.026 238 G CA 0.419 45.487 45.100 -0.054 0.000 0.825 238 G HN 0.951 nan 8.290 nan 0.000 0.538 239 A N 0.829 123.807 122.820 0.264 0.000 2.922 239 A HA 0.612 4.932 4.320 -0.000 0.000 0.298 239 A C 1.196 178.972 177.584 0.320 0.000 1.588 239 A CA -0.390 51.834 52.037 0.310 0.000 1.288 239 A CB -0.305 18.848 19.000 0.255 0.000 1.130 239 A HN 0.380 nan 8.150 nan 0.000 0.557 240 I N 0.135 120.903 120.570 0.331 0.000 2.235 240 I HA -0.091 4.079 4.170 -0.000 0.000 0.241 240 I C 0.753 176.837 176.117 -0.056 0.000 1.085 240 I CA 0.659 62.062 61.300 0.171 0.000 1.378 240 I CB -0.073 38.099 38.000 0.287 0.000 1.076 240 I HN 0.489 nan 8.210 nan 0.000 0.415 241 E N 1.374 121.592 120.200 0.030 0.000 2.392 241 E HA -0.006 4.344 4.350 -0.000 0.000 0.264 241 E C -1.715 174.769 176.600 -0.193 0.000 1.024 241 E CA -1.046 55.239 56.400 -0.192 0.000 0.903 241 E CB 0.069 29.466 29.700 -0.504 0.000 0.963 241 E HN 0.016 nan 8.360 nan 0.000 0.432 242 P HA -0.268 nan 4.420 nan 0.000 0.216 242 P C 1.143 178.428 177.300 -0.025 0.000 1.153 242 P CA 1.367 64.413 63.100 -0.091 0.000 0.858 242 P CB 0.171 31.811 31.700 -0.101 0.000 0.789 243 Q N -1.516 118.185 119.800 -0.165 0.000 2.230 243 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 243 Q C 1.724 177.791 176.000 0.112 0.000 0.963 243 Q CA 1.496 57.249 55.803 -0.084 0.000 0.866 243 Q CB -1.156 27.475 28.738 -0.177 0.000 0.931 243 Q HN 0.208 nan 8.270 nan 0.000 0.452 244 F N 0.499 120.482 119.950 0.055 0.000 2.149 244 F HA -0.016 4.510 4.527 -0.000 0.000 0.294 244 F C 2.429 178.259 175.800 0.050 0.000 1.095 244 F CA -0.045 57.984 58.000 0.047 0.000 1.276 244 F CB -1.503 37.524 39.000 0.046 0.000 1.023 244 F HN 0.052 nan 8.300 nan 0.000 0.480 245 Y N 1.161 121.536 120.300 0.126 0.000 2.114 245 Y HA -0.244 4.306 4.550 -0.000 0.000 0.282 245 Y C 2.444 178.364 175.900 0.033 0.000 1.165 245 Y CA 1.671 59.790 58.100 0.031 0.000 1.148 245 Y CB -0.667 37.749 38.460 -0.074 0.000 0.972 245 Y HN -0.005 nan 8.280 nan 0.000 0.504 246 A N 0.514 123.372 122.820 0.063 0.000 1.883 246 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 246 A C 2.456 180.030 177.584 -0.017 0.000 1.186 246 A CA 2.290 54.324 52.037 -0.005 0.000 0.624 246 A CB -1.626 17.408 19.000 0.058 0.000 0.822 246 A HN 0.646 nan 8.150 nan 0.000 0.444 247 A N -1.062 121.796 122.820 0.063 0.000 1.933 247 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 247 A C 2.224 179.886 177.584 0.129 0.000 1.175 247 A CA 1.995 54.097 52.037 0.108 0.000 0.628 247 A CB -0.518 18.580 19.000 0.163 0.000 0.814 247 A HN 0.547 nan 8.150 nan 0.000 0.444 248 M N -0.126 119.478 119.600 0.007 0.000 2.086 248 M HA -0.095 4.385 4.480 -0.000 0.000 0.261 248 M C 2.019 178.262 176.300 -0.094 0.000 1.067 248 M CA 1.700 56.942 55.300 -0.096 0.000 1.116 248 M CB -0.755 31.700 32.600 -0.242 0.000 1.348 248 M HN 0.453 nan 8.290 nan 0.000 0.407 249 L N 0.122 121.195 121.223 -0.250 0.000 2.042 249 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 249 L C 2.748 179.561 176.870 -0.094 0.000 1.076 249 L CA 1.368 56.067 54.840 -0.235 0.000 0.749 249 L CB -1.243 40.650 42.059 -0.277 0.000 0.893 249 L HN 0.359 nan 8.230 nan 0.000 0.432 250 A N 0.598 123.398 122.820 -0.033 0.000 1.883 250 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 250 A C 2.408 179.996 177.584 0.007 0.000 1.186 250 A CA 1.969 54.004 52.037 -0.004 0.000 0.624 250 A CB -1.366 17.643 19.000 0.016 0.000 0.822 250 A HN 0.456 nan 8.150 nan 0.000 0.444 251 G N -0.662 108.182 108.800 0.073 0.000 2.432 251 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.219 251 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.219 251 G C 1.411 176.318 174.900 0.012 0.000 1.135 251 G CA 0.953 46.008 45.100 -0.074 0.000 0.767 251 G HN 0.445 nan 8.290 nan 0.000 0.550 252 L N 0.107 121.345 121.223 0.024 0.000 2.554 252 L HA 0.218 4.557 4.340 -0.000 0.000 0.226 252 L C 2.017 178.875 176.870 -0.020 0.000 1.137 252 L CA 0.457 55.225 54.840 -0.121 0.000 0.863 252 L CB -0.052 41.739 42.059 -0.447 0.000 0.985 252 L HN 0.383 nan 8.230 nan 0.000 0.451 253 G N 0.830 109.624 108.800 -0.011 0.000 2.147 253 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.244 253 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.244 253 G C 0.042 174.929 174.900 -0.022 0.000 1.005 253 G CA -0.145 44.955 45.100 -0.001 0.000 0.713 253 G HN 0.230 nan 8.290 nan 0.000 0.515 254 L N 0.488 121.678 121.223 -0.056 0.000 2.334 254 L HA 0.468 4.808 4.340 -0.000 0.000 0.277 254 L C 0.179 177.025 176.870 -0.039 0.000 1.075 254 L CA -0.978 53.828 54.840 -0.056 0.000 0.804 254 L CB 1.273 43.274 42.059 -0.097 0.000 1.174 254 L HN 0.127 nan 8.230 nan 0.000 0.438 255 D N 1.932 122.320 120.400 -0.020 0.000 2.339 255 D HA 0.230 4.870 4.640 -0.000 0.000 0.241 255 D C 0.801 177.102 176.300 0.001 0.000 1.183 255 D CA -0.063 53.933 54.000 -0.007 0.000 0.859 255 D CB 1.917 42.717 40.800 0.001 0.000 1.067 255 D HN 0.601 nan 8.370 nan 0.000 0.484 256 A N 4.462 127.285 122.820 0.004 0.000 1.903 256 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 256 A C 2.116 179.727 177.584 0.045 0.000 1.191 256 A CA 2.184 54.239 52.037 0.030 0.000 0.638 256 A CB -0.824 18.198 19.000 0.037 0.000 0.823 256 A HN 0.699 nan 8.150 nan 0.000 0.451 257 A N -0.884 121.955 122.820 0.032 0.000 2.076 257 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 257 A C 1.741 179.345 177.584 0.032 0.000 1.160 257 A CA 1.559 53.615 52.037 0.031 0.000 0.653 257 A CB -0.314 18.699 19.000 0.022 0.000 0.801 257 A HN 0.540 nan 8.150 nan 0.000 0.455 258 E N -0.694 119.524 120.200 0.030 0.000 2.479 258 E HA 0.185 4.535 4.350 -0.000 0.000 0.193 258 E C 0.023 176.648 176.600 0.042 0.000 1.049 258 E CA 0.090 56.507 56.400 0.029 0.000 0.870 258 E CB 0.102 29.814 29.700 0.020 0.000 0.944 258 E HN 0.535 nan 8.360 nan 0.000 0.492 259 L N 2.067 123.324 121.223 0.058 0.000 2.322 259 L HA 0.389 4.729 4.340 -0.000 0.000 0.269 259 L C -2.139 174.791 176.870 0.100 0.000 1.012 259 L CA -2.094 52.797 54.840 0.084 0.000 0.815 259 L CB 1.190 43.313 42.059 0.106 0.000 1.295 259 L HN -0.196 nan 8.230 nan 0.000 0.438 260 P HA 0.183 nan 4.420 nan 0.000 0.269 260 P C -2.587 174.797 177.300 0.140 0.000 1.215 260 P CA -1.138 62.033 63.100 0.118 0.000 0.780 260 P CB -0.514 31.269 31.700 0.139 0.000 0.898 261 P HA -0.004 nan 4.420 nan 0.000 0.267 261 P C 1.175 178.535 177.300 0.099 0.000 1.200 261 P CA 0.104 63.253 63.100 0.082 0.000 0.772 261 P CB 0.274 31.997 31.700 0.037 0.000 0.855 262 Q N 2.270 122.060 119.800 -0.016 0.000 2.152 262 Q HA -0.227 4.113 4.340 -0.000 0.000 0.206 262 Q C 0.184 176.278 176.000 0.157 0.000 0.985 262 Q CA 1.792 57.455 55.803 -0.233 0.000 0.863 262 Q CB -0.167 28.047 28.738 -0.874 0.000 0.904 262 Q HN 0.488 nan 8.270 nan 0.000 0.422 263 N N 0.669 119.437 118.700 0.114 0.000 2.351 263 N HA 0.043 4.783 4.740 -0.000 0.000 0.254 263 N C -1.468 174.016 175.510 -0.043 0.000 1.241 263 N CA -0.193 52.964 53.050 0.178 0.000 0.883 263 N CB 0.731 39.267 38.487 0.081 0.000 1.202 263 N HN 0.067 nan 8.380 nan 0.000 0.512 264 D N 0.941 121.319 120.400 -0.037 0.000 2.468 264 D HA 0.141 4.781 4.640 -0.000 0.000 0.218 264 D C 0.997 177.064 176.300 -0.389 0.000 1.155 264 D CA -0.157 53.751 54.000 -0.152 0.000 0.924 264 D CB 0.417 41.190 40.800 -0.044 0.000 1.029 264 D HN 0.117 nan 8.370 nan 0.000 0.515 265 R N 2.323 122.391 120.500 -0.720 0.000 2.159 265 R HA -0.127 4.213 4.340 -0.000 0.000 0.237 265 R C 1.927 177.929 176.300 -0.497 0.000 1.131 265 R CA 1.198 56.589 56.100 -1.182 0.000 0.982 265 R CB -0.057 29.551 30.300 -1.154 0.000 0.868 265 R HN 0.425 nan 8.270 nan 0.000 0.453 266 A N 1.252 123.904 122.820 -0.280 0.000 1.978 266 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 266 A C 1.739 179.301 177.584 -0.037 0.000 1.170 266 A CA 1.270 53.231 52.037 -0.126 0.000 0.636 266 A CB -0.164 18.780 19.000 -0.094 0.000 0.810 266 A HN 0.255 nan 8.150 nan 0.000 0.448 267 R N -2.526 117.972 120.500 -0.004 0.000 2.468 267 R HA 0.061 4.401 4.340 -0.000 0.000 0.280 267 R C 0.968 177.409 176.300 0.235 0.000 0.963 267 R CA -0.383 55.775 56.100 0.096 0.000 1.083 267 R CB 0.029 30.381 30.300 0.086 0.000 1.200 267 R HN 0.586 nan 8.270 nan 0.000 0.541 268 W N 1.949 123.265 121.300 0.028 0.000 2.321 268 W HA -0.049 4.611 4.660 -0.000 0.000 0.306 268 W C -0.967 175.577 176.519 0.042 0.000 1.217 268 W CA 0.900 58.268 57.345 0.037 0.000 1.257 268 W CB -1.581 27.883 29.460 0.007 0.000 1.145 268 W HN 0.068 nan 8.180 nan 0.000 0.509 269 P HA -0.194 nan 4.420 nan 0.000 0.217 269 P C 1.471 178.848 177.300 0.128 0.000 1.150 269 P CA 2.270 65.459 63.100 0.148 0.000 0.832 269 P CB -0.142 31.621 31.700 0.105 0.000 0.787 270 E N -0.423 119.856 120.200 0.131 0.000 2.051 270 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 270 E C 1.875 178.554 176.600 0.131 0.000 0.991 270 E CA 0.841 57.309 56.400 0.113 0.000 0.799 270 E CB -0.605 29.155 29.700 0.101 0.000 0.748 270 E HN -0.037 nan 8.360 nan 0.000 0.449 271 L N 1.846 123.175 121.223 0.177 0.000 1.971 271 L HA -0.218 4.122 4.340 -0.000 0.000 0.215 271 L C 2.612 179.578 176.870 0.159 0.000 1.072 271 L CA 2.158 57.109 54.840 0.186 0.000 0.758 271 L CB -0.718 41.496 42.059 0.258 0.000 0.889 271 L HN 0.087 nan 8.230 nan 0.000 0.433 272 R N -0.898 119.694 120.500 0.154 0.000 2.105 272 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 272 R C 2.134 178.553 176.300 0.198 0.000 1.135 272 R CA 1.367 57.578 56.100 0.186 0.000 0.967 272 R CB -0.376 29.985 30.300 0.102 0.000 0.861 272 R HN 0.546 nan 8.270 nan 0.000 0.442 273 A N 0.873 123.775 122.820 0.136 0.000 1.908 273 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 273 A C 2.150 179.794 177.584 0.101 0.000 1.181 273 A CA 1.247 53.352 52.037 0.112 0.000 0.627 273 A CB -0.466 18.584 19.000 0.084 0.000 0.818 273 A HN 0.342 nan 8.150 nan 0.000 0.445 274 L N -0.732 120.541 121.223 0.084 0.000 2.072 274 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 274 L C 2.548 179.417 176.870 -0.001 0.000 1.079 274 L CA 0.906 55.771 54.840 0.042 0.000 0.752 274 L CB -0.431 41.650 42.059 0.037 0.000 0.906 274 L HN 0.377 nan 8.230 nan 0.000 0.436 275 L N -1.115 120.111 121.223 0.005 0.000 2.056 275 L HA -0.185 4.155 4.340 -0.000 0.000 0.207 275 L C 2.608 179.461 176.870 -0.029 0.000 1.078 275 L CA 1.369 56.131 54.840 -0.130 0.000 0.749 275 L CB -1.078 40.879 42.059 -0.170 0.000 0.901 275 L HN 0.248 nan 8.230 nan 0.000 0.433 276 T N -0.655 114.043 114.554 0.239 0.000 2.635 276 T HA -0.283 4.067 4.350 -0.000 0.000 0.267 276 T C 1.788 176.607 174.700 0.199 0.000 1.040 276 T CA 1.843 64.157 62.100 0.357 0.000 1.156 276 T CB -0.216 68.828 68.868 0.292 0.000 0.863 276 T HN 0.395 nan 8.240 nan 0.000 0.430 277 E N 0.756 121.022 120.200 0.111 0.000 2.070 277 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 277 E C 2.388 179.017 176.600 0.048 0.000 1.004 277 E CA 1.218 57.661 56.400 0.072 0.000 0.805 277 E CB -0.236 29.491 29.700 0.044 0.000 0.744 277 E HN 0.483 nan 8.360 nan 0.000 0.451 278 A N 0.393 123.183 122.820 -0.050 0.000 1.858 278 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 278 A C 1.938 179.464 177.584 -0.097 0.000 1.190 278 A CA 1.500 53.447 52.037 -0.150 0.000 0.617 278 A CB -0.997 17.754 19.000 -0.415 0.000 0.827 278 A HN 0.357 nan 8.150 nan 0.000 0.443 279 F N 0.185 120.050 119.950 -0.143 0.000 2.216 279 F HA -0.044 4.483 4.527 -0.000 0.000 0.300 279 F C 2.709 178.679 175.800 0.284 0.000 1.085 279 F CA 0.830 58.755 58.000 -0.125 0.000 1.326 279 F CB -0.466 38.361 39.000 -0.289 0.000 1.027 279 F HN 0.251 nan 8.300 nan 0.000 0.497 280 A N -0.440 122.589 122.820 0.348 0.000 2.121 280 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 280 A C 2.261 179.967 177.584 0.203 0.000 1.154 280 A CA 1.479 53.670 52.037 0.257 0.000 0.679 280 A CB -0.991 18.107 19.000 0.164 0.000 0.795 280 A HN 0.381 nan 8.150 nan 0.000 0.458 281 S N -1.156 114.678 115.700 0.224 0.000 2.481 281 S HA 0.014 4.484 4.470 -0.000 0.000 0.231 281 S C 0.769 175.210 174.600 -0.266 0.000 0.996 281 S CA 0.236 58.443 58.200 0.012 0.000 0.942 281 S CB -0.297 62.922 63.200 0.032 0.000 0.768 281 S HN 0.646 nan 8.310 nan 0.000 0.520 282 H N 0.127 119.295 119.070 0.163 0.000 2.907 282 H HA 0.460 5.016 4.556 -0.000 0.000 0.361 282 H C -1.065 174.242 175.328 -0.035 0.000 1.194 282 H CA -0.864 55.058 56.048 -0.210 0.000 1.152 282 H CB 1.120 30.307 29.762 -0.959 0.000 1.867 282 H HN 0.168 nan 8.280 nan 0.000 0.561 283 D N 0.554 120.950 120.400 -0.007 0.000 2.361 283 D HA 0.006 4.645 4.640 -0.000 0.000 0.239 283 D C 1.508 177.883 176.300 0.125 0.000 1.200 283 D CA -0.131 53.900 54.000 0.052 0.000 0.915 283 D CB 1.304 42.110 40.800 0.010 0.000 1.170 283 D HN 0.466 nan 8.370 nan 0.000 0.444 284 R N 0.792 121.394 120.500 0.170 0.000 2.083 284 R HA -0.179 4.161 4.340 -0.000 0.000 0.237 284 R C 0.675 177.077 176.300 0.169 0.000 1.137 284 R CA 1.567 57.809 56.100 0.237 0.000 0.951 284 R CB -0.020 30.354 30.300 0.122 0.000 0.851 284 R HN 0.343 nan 8.270 nan 0.000 0.434 285 D N -0.527 119.917 120.400 0.072 0.000 2.178 285 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 285 D C 1.750 178.040 176.300 -0.016 0.000 0.980 285 D CA 0.954 54.973 54.000 0.030 0.000 0.842 285 D CB -0.431 40.371 40.800 0.002 0.000 0.948 285 D HN 0.393 nan 8.370 nan 0.000 0.472 286 H N -0.698 118.272 119.070 -0.166 0.000 2.290 286 H HA -0.161 4.395 4.556 -0.000 0.000 0.298 286 H C 1.846 176.976 175.328 -0.330 0.000 1.087 286 H CA 1.729 57.562 56.048 -0.358 0.000 1.291 286 H CB -0.411 28.996 29.762 -0.593 0.000 1.369 286 H HN 0.300 nan 8.280 nan 0.000 0.492 287 W N 0.594 121.973 121.300 0.132 0.000 2.338 287 W HA -0.091 4.569 4.660 -0.000 0.000 0.304 287 W C 3.006 179.627 176.519 0.170 0.000 1.212 287 W CA 0.639 58.107 57.345 0.205 0.000 1.264 287 W CB -0.691 29.045 29.460 0.461 0.000 1.142 287 W HN 0.292 nan 8.180 nan 0.000 0.512 288 G N 0.488 109.467 108.800 0.299 0.000 2.440 288 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 288 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 288 G C 1.624 176.561 174.900 0.061 0.000 1.154 288 G CA 1.503 46.709 45.100 0.175 0.000 0.767 288 G HN 0.337 nan 8.290 nan 0.000 0.552 289 A N -0.033 122.747 122.820 -0.066 0.000 1.929 289 A HA 0.157 4.477 4.320 -0.000 0.000 0.216 289 A C 2.576 180.029 177.584 -0.219 0.000 1.176 289 A CA 1.622 53.566 52.037 -0.155 0.000 0.628 289 A CB -0.500 18.359 19.000 -0.235 0.000 0.816 289 A HN 0.250 nan 8.150 nan 0.000 0.444 290 V N -1.568 118.144 119.914 -0.338 0.000 2.407 290 V HA -0.190 3.930 4.120 -0.000 0.000 0.248 290 V C 1.639 177.453 176.094 -0.466 0.000 1.055 290 V CA 1.646 63.649 62.300 -0.495 0.000 1.049 290 V CB -0.776 30.655 31.823 -0.654 0.000 0.662 290 V HN 0.599 nan 8.190 nan 0.000 0.455 291 F N -0.647 119.321 119.950 0.030 0.000 2.647 291 F HA 0.497 5.024 4.527 -0.000 0.000 0.300 291 F C 1.875 177.669 175.800 -0.011 0.000 1.106 291 F CA 0.294 58.309 58.000 0.024 0.000 1.313 291 F CB -0.374 38.663 39.000 0.062 0.000 1.007 291 F HN 0.020 nan 8.300 nan 0.000 0.536 292 A N 1.455 124.319 122.820 0.073 0.000 1.870 292 A HA -0.315 4.005 4.320 -0.000 0.000 0.219 292 A C 1.592 179.191 177.584 0.024 0.000 1.224 292 A CA 2.557 54.613 52.037 0.031 0.000 0.650 292 A CB -0.873 18.118 19.000 -0.016 0.000 0.836 292 A HN 0.562 nan 8.150 nan 0.000 0.454 293 N N -0.873 117.837 118.700 0.016 0.000 2.238 293 N HA 0.181 4.921 4.740 -0.000 0.000 0.222 293 N C 0.038 175.557 175.510 0.016 0.000 1.133 293 N CA 0.319 53.372 53.050 0.005 0.000 0.854 293 N CB 0.518 39.004 38.487 -0.002 0.000 1.041 293 N HN 0.544 nan 8.380 nan 0.000 0.510 294 S N -0.420 115.314 115.700 0.057 0.000 2.669 294 S HA 0.219 4.689 4.470 -0.000 0.000 0.270 294 S C 0.297 174.901 174.600 0.007 0.000 1.225 294 S CA -0.503 57.743 58.200 0.078 0.000 0.991 294 S CB 1.307 64.630 63.200 0.205 0.000 0.987 294 S HN -0.061 nan 8.310 nan 0.000 0.552 295 D N 0.596 120.988 120.400 -0.013 0.000 2.395 295 D HA 0.370 5.010 4.640 -0.000 0.000 0.226 295 D C 1.464 177.649 176.300 -0.191 0.000 1.146 295 D CA 0.218 54.099 54.000 -0.198 0.000 0.830 295 D CB -0.094 40.602 40.800 -0.173 0.000 0.958 295 D HN 0.657 nan 8.370 nan 0.000 0.501 296 A N -0.502 122.293 122.820 -0.043 0.000 2.216 296 A HA -0.072 4.248 4.320 -0.000 0.000 0.214 296 A C 1.473 178.941 177.584 -0.194 0.000 1.160 296 A CA 0.174 52.163 52.037 -0.080 0.000 0.725 296 A CB -0.593 18.337 19.000 -0.116 0.000 0.784 296 A HN 0.417 nan 8.150 nan 0.000 0.472 297 C N -1.371 117.797 119.300 -0.220 0.000 4.350 297 C HA -0.104 4.356 4.460 -0.000 0.000 0.302 297 C C 0.357 175.214 174.990 -0.222 0.000 1.390 297 C CA 0.206 59.107 59.018 -0.195 0.000 2.016 297 C CB -3.270 24.405 27.740 -0.107 0.000 1.271 297 C HN 0.411 nan 8.230 nan 0.000 0.760 298 V N 1.231 120.967 119.914 -0.295 0.000 2.378 298 V HA 0.726 4.846 4.120 -0.000 0.000 0.288 298 V C 0.467 176.478 176.094 -0.138 0.000 1.016 298 V CA 0.392 62.491 62.300 -0.335 0.000 0.840 298 V CB 2.115 33.475 31.823 -0.773 0.000 0.994 298 V HN 0.602 nan 8.190 nan 0.000 0.431 299 T N 3.475 117.964 114.554 -0.109 0.000 2.906 299 T HA 0.644 4.994 4.350 -0.000 0.000 0.295 299 T C -3.087 171.604 174.700 -0.015 0.000 1.061 299 T CA -2.416 59.659 62.100 -0.042 0.000 1.000 299 T CB 2.408 71.236 68.868 -0.068 0.000 1.103 299 T HN 0.399 nan 8.240 nan 0.000 0.486 300 P HA 0.189 nan 4.420 nan 0.000 0.271 300 P C -0.343 176.959 177.300 0.003 0.000 1.220 300 P CA -0.318 62.804 63.100 0.036 0.000 0.768 300 P CB 0.567 32.289 31.700 0.037 0.000 0.848 301 V N 5.719 125.644 119.914 0.019 0.000 2.370 301 V HA 0.083 4.202 4.120 -0.000 0.000 0.257 301 V C 0.852 176.944 176.094 -0.004 0.000 1.064 301 V CA -0.086 62.215 62.300 0.001 0.000 0.975 301 V CB -0.396 31.446 31.823 0.033 0.000 1.067 301 V HN 0.387 nan 8.190 nan 0.000 0.485 302 L N 4.380 125.575 121.223 -0.047 0.000 2.326 302 L HA 0.643 4.983 4.340 -0.000 0.000 0.278 302 L C 0.818 177.612 176.870 -0.127 0.000 1.092 302 L CA -0.208 54.593 54.840 -0.065 0.000 0.810 302 L CB 1.282 43.300 42.059 -0.067 0.000 1.153 302 L HN 0.652 nan 8.230 nan 0.000 0.439 303 A N 2.485 125.237 122.820 -0.113 0.000 2.332 303 A HA 0.357 4.677 4.320 -0.000 0.000 0.258 303 A C 0.808 178.305 177.584 -0.145 0.000 1.087 303 A CA -0.219 51.711 52.037 -0.179 0.000 0.802 303 A CB 0.148 19.107 19.000 -0.069 0.000 1.042 303 A HN 0.707 nan 8.150 nan 0.000 0.489 304 F N 1.125 121.061 119.950 -0.023 0.000 2.120 304 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 304 F C 2.549 178.305 175.800 -0.073 0.000 1.095 304 F CA 1.736 59.700 58.000 -0.060 0.000 1.249 304 F CB -0.427 38.551 39.000 -0.037 0.000 0.995 304 F HN 0.675 nan 8.300 nan 0.000 0.480 305 G N -0.480 108.423 108.800 0.172 0.000 2.470 305 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.220 305 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.220 305 G C 1.374 176.354 174.900 0.134 0.000 1.121 305 G CA 0.749 45.928 45.100 0.132 0.000 0.766 305 G HN 0.401 nan 8.290 nan 0.000 0.553 306 E N -0.114 120.102 120.200 0.027 0.000 2.318 306 E HA 0.052 4.402 4.350 -0.000 0.000 0.193 306 E C 2.554 179.032 176.600 -0.204 0.000 0.998 306 E CA 0.001 56.351 56.400 -0.083 0.000 0.859 306 E CB 0.142 29.795 29.700 -0.079 0.000 0.812 306 E HN 0.263 nan 8.360 nan 0.000 0.492 307 V N 3.093 122.913 119.914 -0.157 0.000 2.278 307 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 307 V C 2.554 178.432 176.094 -0.360 0.000 1.062 307 V CA 2.347 64.513 62.300 -0.223 0.000 1.038 307 V CB -1.048 30.634 31.823 -0.234 0.000 0.646 307 V HN 0.541 nan 8.190 nan 0.000 0.447 308 H N -0.135 118.580 119.070 -0.592 0.000 2.541 308 H HA -0.097 4.459 4.556 -0.000 0.000 0.289 308 H C 1.503 176.560 175.328 -0.451 0.000 1.054 308 H CA 1.540 57.088 56.048 -0.833 0.000 1.250 308 H CB -0.422 28.433 29.762 -1.511 0.000 1.369 308 H HN 0.435 nan 8.280 nan 0.000 0.578 309 N N 0.736 118.933 118.700 -0.839 0.000 2.299 309 N HA -0.030 4.709 4.740 -0.000 0.000 0.187 309 N C 0.071 175.423 175.510 -0.264 0.000 1.099 309 N CA 0.151 52.874 53.050 -0.545 0.000 0.867 309 N CB 0.338 38.491 38.487 -0.557 0.000 0.974 309 N HN 0.417 nan 8.380 nan 0.000 0.477 310 E N 1.561 121.633 120.200 -0.213 0.000 2.257 310 E HA 0.143 4.492 4.350 -0.000 0.000 0.278 310 E C -1.681 174.892 176.600 -0.045 0.000 1.049 310 E CA -1.899 54.443 56.400 -0.097 0.000 0.876 310 E CB 1.211 30.876 29.700 -0.059 0.000 1.035 310 E HN -0.000 nan 8.360 nan 0.000 0.419 311 P HA -0.193 nan 4.420 nan 0.000 0.215 311 P C 0.741 178.069 177.300 0.047 0.000 1.157 311 P CA 1.477 64.583 63.100 0.011 0.000 0.874 311 P CB 0.009 31.722 31.700 0.021 0.000 0.790 312 H N -0.873 118.190 119.070 -0.011 0.000 2.421 312 H HA -0.069 4.487 4.556 -0.000 0.000 0.298 312 H C 1.827 177.166 175.328 0.017 0.000 1.087 312 H CA 1.222 57.271 56.048 0.002 0.000 1.330 312 H CB -0.550 29.212 29.762 0.000 0.000 1.388 312 H HN -0.069 nan 8.280 nan 0.000 0.526 313 I N 0.139 120.750 120.570 0.068 0.000 2.252 313 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 313 I C 2.300 178.431 176.117 0.022 0.000 1.102 313 I CA 1.114 62.450 61.300 0.060 0.000 1.385 313 I CB -0.871 37.186 38.000 0.094 0.000 1.064 313 I HN 0.359 nan 8.210 nan 0.000 0.414 314 I N 0.661 121.225 120.570 -0.010 0.000 2.142 314 I HA -0.280 3.890 4.170 -0.000 0.000 0.240 314 I C 2.514 178.636 176.117 0.008 0.000 1.078 314 I CA 1.387 62.689 61.300 0.003 0.000 1.343 314 I CB -0.416 37.577 38.000 -0.011 0.000 1.046 314 I HN 0.227 nan 8.210 nan 0.000 0.405 315 E N 0.540 120.721 120.200 -0.032 0.000 2.160 315 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 315 E C 2.009 178.569 176.600 -0.067 0.000 0.991 315 E CA 0.934 57.308 56.400 -0.043 0.000 0.810 315 E CB 0.055 29.721 29.700 -0.057 0.000 0.742 315 E HN 0.419 nan 8.360 nan 0.000 0.466 316 R N 0.310 120.738 120.500 -0.119 0.000 2.334 316 R HA 0.075 4.415 4.340 -0.000 0.000 0.216 316 R C -0.065 176.212 176.300 -0.038 0.000 0.905 316 R CA -0.064 55.964 56.100 -0.119 0.000 1.064 316 R CB 0.246 30.403 30.300 -0.239 0.000 1.046 316 R HN 0.070 nan 8.270 nan 0.000 0.508 317 N N 0.870 119.584 118.700 0.022 0.000 2.714 317 N HA -0.169 4.571 4.740 -0.000 0.000 0.252 317 N C 0.239 175.792 175.510 0.072 0.000 1.014 317 N CA 1.156 54.261 53.050 0.093 0.000 0.735 317 N CB -1.224 37.315 38.487 0.087 0.000 0.924 317 N HN 0.199 nan 8.380 nan 0.000 0.540 318 T N -1.291 113.286 114.554 0.039 0.000 2.915 318 T HA -0.026 4.324 4.350 -0.000 0.000 0.269 318 T C 0.537 175.058 174.700 -0.298 0.000 1.071 318 T CA 1.109 63.137 62.100 -0.119 0.000 1.132 318 T CB -0.005 68.800 68.868 -0.104 0.000 0.878 318 T HN 0.319 nan 8.240 nan 0.000 0.479 319 F N 0.160 120.221 119.950 0.186 0.000 2.561 319 F HA 0.540 5.067 4.527 -0.000 0.000 0.321 319 F C -0.408 175.676 175.800 0.473 0.000 1.065 319 F CA -1.961 56.223 58.000 0.307 0.000 0.934 319 F CB 1.429 40.610 39.000 0.301 0.000 1.215 319 F HN 0.066 nan 8.300 nan 0.000 0.471 320 Y N -1.396 119.184 120.300 0.465 0.000 2.509 320 Y HA 0.628 5.178 4.550 -0.000 0.000 0.341 320 Y C -0.671 175.285 175.900 0.094 0.000 1.038 320 Y CA -1.341 56.928 58.100 0.280 0.000 1.089 320 Y CB 0.949 39.476 38.460 0.112 0.000 1.241 320 Y HN 0.538 nan 8.280 nan 0.000 0.468 321 E N 2.059 122.070 120.200 -0.313 0.000 2.129 321 E HA 0.474 4.824 4.350 -0.000 0.000 0.283 321 E C -0.949 175.456 176.600 -0.326 0.000 1.080 321 E CA -0.411 55.562 56.400 -0.711 0.000 0.867 321 E CB 0.786 29.936 29.700 -0.917 0.000 1.056 321 E HN 0.727 nan 8.360 nan 0.000 0.404 322 A N 4.394 126.976 122.820 -0.398 0.000 2.303 322 A HA 0.309 4.628 4.320 -0.000 0.000 0.320 322 A C -0.374 177.102 177.584 -0.179 0.000 1.192 322 A CA -0.941 50.991 52.037 -0.175 0.000 0.821 322 A CB 0.473 19.369 19.000 -0.174 0.000 1.188 322 A HN 0.696 nan 8.150 nan 0.000 0.492 323 N N 1.331 119.963 118.700 -0.113 0.000 1.531 323 N HA 0.054 4.794 4.740 -0.000 0.000 0.357 323 N C 1.283 176.724 175.510 -0.115 0.000 1.248 323 N CA 2.340 55.328 53.050 -0.104 0.000 0.793 323 N CB 0.088 38.540 38.487 -0.058 0.000 1.023 323 N HN 1.521 nan 8.380 nan 0.000 0.521 324 G N -0.368 108.353 108.800 -0.131 0.000 2.232 324 G HA2 0.096 4.056 3.960 -0.000 0.000 0.226 324 G HA3 0.096 4.056 3.960 -0.000 0.000 0.226 324 G C 0.438 175.253 174.900 -0.142 0.000 0.996 324 G CA 0.045 45.077 45.100 -0.113 0.000 0.626 324 G HN 1.356 nan 8.290 nan 0.000 0.509 325 G N -2.056 106.608 108.800 -0.226 0.000 2.369 325 G HA2 0.409 4.369 3.960 -0.000 0.000 0.293 325 G HA3 0.409 4.369 3.960 -0.000 0.000 0.293 325 G C -1.017 173.669 174.900 -0.356 0.000 1.301 325 G CA -0.175 44.763 45.100 -0.269 0.000 0.913 325 G HN 0.880 nan 8.290 nan 0.000 0.540 326 W N 1.021 122.206 121.300 -0.192 0.000 2.238 326 W HA 0.630 5.289 4.660 -0.000 0.000 0.321 326 W C 0.454 176.887 176.519 -0.145 0.000 1.293 326 W CA 0.028 57.263 57.345 -0.184 0.000 1.204 326 W CB 0.946 30.270 29.460 -0.227 0.000 1.167 326 W HN 0.351 nan 8.180 nan 0.000 0.553 327 Q N 3.862 123.669 119.800 0.012 0.000 2.359 327 Q HA 0.345 4.685 4.340 -0.000 0.000 0.274 327 Q C -2.468 173.631 176.000 0.165 0.000 1.074 327 Q CA -2.348 53.434 55.803 -0.036 0.000 0.810 327 Q CB 1.899 30.364 28.738 -0.455 0.000 1.342 327 Q HN 0.143 nan 8.270 nan 0.000 0.427 328 P HA 0.079 nan 4.420 nan 0.000 0.271 328 P C -0.155 177.185 177.300 0.066 0.000 1.216 328 P CA -0.111 62.856 63.100 -0.221 0.000 0.771 328 P CB 0.579 32.154 31.700 -0.207 0.000 0.864 329 M N 4.170 123.786 119.600 0.026 0.000 2.232 329 M HA 0.200 4.680 4.480 -0.000 0.000 0.321 329 M C -1.844 174.457 176.300 0.002 0.000 1.101 329 M CA -1.609 53.749 55.300 0.096 0.000 1.181 329 M CB -0.991 31.642 32.600 0.056 0.000 1.432 329 M HN 0.183 nan 8.290 nan 0.000 0.457 330 P HA 0.149 nan 4.420 nan 0.000 0.266 330 P C -1.338 175.956 177.300 -0.011 0.000 1.193 330 P CA 0.112 63.213 63.100 0.001 0.000 0.770 330 P CB 0.467 32.178 31.700 0.017 0.000 0.836 331 A N 2.995 125.810 122.820 -0.009 0.000 2.515 331 A HA 0.754 5.074 4.320 -0.000 0.000 0.298 331 A C -2.466 175.109 177.584 -0.015 0.000 1.059 331 A CA -1.145 50.866 52.037 -0.044 0.000 0.698 331 A CB 0.742 19.707 19.000 -0.059 0.000 1.289 331 A HN 0.401 nan 8.150 nan 0.000 0.404 332 P HA 0.525 nan 4.420 nan 0.000 0.323 332 P C -0.903 176.131 177.300 -0.444 0.000 1.309 332 P CA -0.463 62.482 63.100 -0.259 0.000 0.739 332 P CB 0.582 32.094 31.700 -0.313 0.000 1.454 333 R N -1.045 119.142 120.500 -0.522 0.000 2.604 333 R HA 0.615 4.955 4.340 -0.000 0.000 0.287 333 R C -0.775 175.097 176.300 -0.713 0.000 0.970 333 R CA -0.435 55.401 56.100 -0.439 0.000 0.946 333 R CB 0.841 31.029 30.300 -0.188 0.000 1.127 333 R HN 0.350 nan 8.270 nan 0.000 0.473 334 F N 0.007 119.944 119.950 -0.021 0.000 2.493 334 F HA 0.168 4.695 4.527 -0.000 0.000 0.329 334 F C 1.532 177.324 175.800 -0.014 0.000 1.126 334 F CA -0.742 57.248 58.000 -0.017 0.000 0.937 334 F CB 2.101 41.090 39.000 -0.018 0.000 1.146 334 F HN 0.608 nan 8.300 nan 0.000 0.442 335 S N 2.115 117.888 115.700 0.122 0.000 2.406 335 S HA -0.114 4.356 4.470 -0.000 0.000 0.228 335 S C 1.873 176.518 174.600 0.076 0.000 1.020 335 S CA 1.075 59.317 58.200 0.070 0.000 0.965 335 S CB -0.086 63.139 63.200 0.041 0.000 0.798 335 S HN 0.767 nan 8.310 nan 0.000 0.488 336 R N 1.439 121.995 120.500 0.095 0.000 2.102 336 R HA 0.079 4.419 4.340 -0.000 0.000 0.208 336 R C 0.314 176.642 176.300 0.046 0.000 1.131 336 R CA 1.315 57.449 56.100 0.057 0.000 1.054 336 R CB -0.109 30.217 30.300 0.043 0.000 0.954 336 R HN 0.512 nan 8.270 nan 0.000 0.465 337 T N -0.291 114.291 114.554 0.046 0.000 3.400 337 T HA 0.617 4.967 4.350 -0.000 0.000 0.364 337 T C -0.123 174.590 174.700 0.022 0.000 1.636 337 T CA -0.625 61.470 62.100 -0.009 0.000 1.211 337 T CB 1.102 69.916 68.868 -0.091 0.000 1.180 337 T HN 0.296 nan 8.240 nan 0.000 0.730 338 A N 2.702 125.562 122.820 0.068 0.000 2.462 338 A HA 0.562 4.881 4.320 -0.000 0.000 0.243 338 A C 0.805 178.424 177.584 0.058 0.000 1.076 338 A CA -0.529 51.574 52.037 0.111 0.000 0.773 338 A CB 0.060 19.102 19.000 0.070 0.000 1.010 338 A HN 0.731 nan 8.150 nan 0.000 0.493 339 S N 0.943 116.700 115.700 0.094 0.000 2.593 339 S HA 0.351 4.821 4.470 -0.000 0.000 0.269 339 S C 0.742 175.337 174.600 -0.008 0.000 1.334 339 S CA -0.446 57.771 58.200 0.027 0.000 1.015 339 S CB 0.669 63.902 63.200 0.055 0.000 0.912 339 S HN 0.790 nan 8.310 nan 0.000 0.541 340 S N 1.166 116.842 115.700 -0.039 0.000 2.652 340 S HA 0.236 4.706 4.470 -0.000 0.000 0.270 340 S C 0.057 174.587 174.600 -0.116 0.000 1.243 340 S CA -0.786 57.375 58.200 -0.065 0.000 0.999 340 S CB 0.504 63.666 63.200 -0.064 0.000 0.973 340 S HN 0.734 nan 8.310 nan 0.000 0.544 341 Q N 1.334 121.036 119.800 -0.163 0.000 2.300 341 Q HA 0.098 4.438 4.340 -0.000 0.000 0.280 341 Q C -2.411 173.396 176.000 -0.321 0.000 1.033 341 Q CA -1.300 54.309 55.803 -0.324 0.000 0.903 341 Q CB 0.022 28.564 28.738 -0.326 0.000 1.195 341 Q HN 0.216 nan 8.270 nan 0.000 0.386 342 P HA -0.037 nan 4.420 nan 0.000 0.265 342 P C -1.135 176.084 177.300 -0.135 0.000 1.193 342 P CA 0.499 63.473 63.100 -0.210 0.000 0.765 342 P CB 0.477 32.106 31.700 -0.119 0.000 0.823 343 R N 5.004 125.468 120.500 -0.059 0.000 2.390 343 R HA 0.296 4.636 4.340 -0.000 0.000 0.291 343 R C -1.913 174.396 176.300 0.014 0.000 1.070 343 R CA -1.623 54.462 56.100 -0.024 0.000 1.014 343 R CB -0.059 30.229 30.300 -0.020 0.000 1.007 343 R HN 0.428 nan 8.270 nan 0.000 0.466 344 P HA 0.122 nan 4.420 nan 0.000 0.272 344 P C -2.483 174.832 177.300 0.025 0.000 1.230 344 P CA -1.507 61.620 63.100 0.046 0.000 0.788 344 P CB -0.148 31.577 31.700 0.041 0.000 0.949 345 P HA 0.145 nan 4.420 nan 0.000 0.265 345 P C -0.483 176.821 177.300 0.007 0.000 1.187 345 P CA 0.716 63.825 63.100 0.014 0.000 0.766 345 P CB 0.127 31.837 31.700 0.015 0.000 0.820 346 A N 2.282 125.103 122.820 0.001 0.000 2.475 346 A HA 0.802 5.122 4.320 -0.000 0.000 0.281 346 A C -0.584 176.996 177.584 -0.007 0.000 1.263 346 A CA -0.483 51.552 52.037 -0.004 0.000 0.776 346 A CB 0.719 19.715 19.000 -0.007 0.000 1.347 346 A HN 0.528 nan 8.150 nan 0.000 0.443 347 A N 0.023 122.838 122.820 -0.009 0.000 2.520 347 A HA 0.493 4.813 4.320 -0.000 0.000 0.235 347 A C 0.714 178.288 177.584 -0.017 0.000 1.065 347 A CA 0.593 52.623 52.037 -0.012 0.000 0.764 347 A CB -0.747 18.246 19.000 -0.012 0.000 1.002 347 A HN 0.947 nan 8.150 nan 0.000 0.502 348 T N 2.063 116.607 114.554 -0.017 0.000 2.939 348 T HA 0.357 4.707 4.350 -0.000 0.000 0.319 348 T C 0.538 175.221 174.700 -0.030 0.000 1.082 348 T CA 1.068 63.154 62.100 -0.023 0.000 1.133 348 T CB -0.270 68.586 68.868 -0.019 0.000 1.019 348 T HN 0.568 nan 8.240 nan 0.000 0.548 349 I N -0.924 119.621 120.570 -0.042 0.000 3.067 349 I HA 0.589 4.759 4.170 -0.000 0.000 0.312 349 I C -0.391 175.692 176.117 -0.056 0.000 1.073 349 I CA -1.427 59.843 61.300 -0.048 0.000 1.016 349 I CB 1.738 39.704 38.000 -0.057 0.000 1.227 349 I HN 0.279 nan 8.210 nan 0.000 0.456 350 D N 2.232 122.600 120.400 -0.054 0.000 2.382 350 D HA 0.093 4.733 4.640 -0.000 0.000 0.259 350 D C 0.994 177.248 176.300 -0.077 0.000 1.224 350 D CA 0.205 54.173 54.000 -0.054 0.000 0.894 350 D CB 0.749 41.523 40.800 -0.043 0.000 1.127 350 D HN 0.660 nan 8.370 nan 0.000 0.487 351 I N 3.484 124.007 120.570 -0.078 0.000 2.290 351 I HA -0.291 3.879 4.170 -0.000 0.000 0.253 351 I C 1.634 177.689 176.117 -0.104 0.000 1.112 351 I CA 1.433 62.672 61.300 -0.102 0.000 1.377 351 I CB 0.269 38.224 38.000 -0.076 0.000 1.060 351 I HN 0.440 nan 8.210 nan 0.000 0.428 352 E N 0.699 120.857 120.200 -0.070 0.000 2.152 352 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 352 E C 2.231 178.794 176.600 -0.063 0.000 0.983 352 E CA 1.125 57.491 56.400 -0.055 0.000 0.818 352 E CB -0.251 29.429 29.700 -0.034 0.000 0.758 352 E HN 0.667 nan 8.360 nan 0.000 0.467 353 A N 0.976 123.753 122.820 -0.072 0.000 1.902 353 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 353 A C 2.582 180.101 177.584 -0.109 0.000 1.181 353 A CA 1.488 53.482 52.037 -0.071 0.000 0.623 353 A CB -0.658 18.302 19.000 -0.066 0.000 0.818 353 A HN 0.137 nan 8.150 nan 0.000 0.443 354 V N 0.034 119.840 119.914 -0.181 0.000 2.343 354 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 354 V C 2.553 178.464 176.094 -0.305 0.000 1.051 354 V CA 1.898 63.994 62.300 -0.340 0.000 1.036 354 V CB -0.833 30.706 31.823 -0.473 0.000 0.654 354 V HN 0.557 nan 8.190 nan 0.000 0.451 355 L N -0.311 120.810 121.223 -0.170 0.000 2.017 355 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 355 L C 2.698 179.581 176.870 0.021 0.000 1.073 355 L CA 2.072 56.884 54.840 -0.046 0.000 0.745 355 L CB -0.914 41.130 42.059 -0.025 0.000 0.894 355 L HN 0.348 nan 8.230 nan 0.000 0.432 356 T N -1.069 113.482 114.554 -0.004 0.000 2.720 356 T HA -0.250 4.100 4.350 -0.000 0.000 0.268 356 T C 1.517 176.246 174.700 0.050 0.000 1.037 356 T CA 1.808 63.920 62.100 0.019 0.000 1.144 356 T CB -0.284 68.584 68.868 -0.000 0.000 0.864 356 T HN 0.381 nan 8.240 nan 0.000 0.444 357 D N -0.189 120.234 120.400 0.038 0.000 2.097 357 D HA -0.118 4.522 4.640 -0.000 0.000 0.195 357 D C 1.533 177.991 176.300 0.262 0.000 0.989 357 D CA 1.057 55.119 54.000 0.103 0.000 0.827 357 D CB -0.216 40.609 40.800 0.041 0.000 0.966 357 D HN 0.411 nan 8.370 nan 0.000 0.456 358 W N 1.069 122.365 121.300 -0.007 0.000 2.905 358 W HA 0.208 4.868 4.660 -0.000 0.000 0.251 358 W C 0.341 176.857 176.519 -0.006 0.000 1.305 358 W CA 0.551 57.891 57.345 -0.007 0.000 1.465 358 W CB -0.227 29.229 29.460 -0.007 0.000 1.122 358 W HN 0.086 nan 8.180 nan 0.000 0.659 359 D N -1.441 119.082 120.400 0.205 0.000 3.017 359 D HA -0.115 4.525 4.640 -0.000 0.000 0.220 359 D C 0.535 176.897 176.300 0.102 0.000 1.141 359 D CA 1.409 55.478 54.000 0.114 0.000 0.848 359 D CB -1.248 39.598 40.800 0.078 0.000 1.102 359 D HN 0.299 nan 8.370 nan 0.000 0.427 360 G N 0.000 108.878 108.800 0.130 0.000 5.446 360 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 360 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 360 G CA 0.000 45.162 45.100 0.104 0.000 0.502 360 G HN 0.000 nan 8.290 nan 0.000 0.925