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 3m71_1_A DATA FIRST_RESID 6 DATA SEQUENCE PFPLPTGYFG IPLGLAALSL AWFHLENLFP AARMVSDVLG IVASAVWILF DATA SEQUENCE ILMYAYKLRY YFEEVRAEYH SPVRFSFIAL IPITTMLVGD ILYRWNPLIA DATA SEQUENCE EVLIWIGTIG QLLFSTLRVS ELWQGGVFEQ KSTHPSFYLP AVAANFTSAS DATA SEQUENCE SLALLGYHDL GYLFFGAGMI AWIIFEPVLL QHLRISSLEP QFRATMGIVL DATA SEQUENCE APAFVCVSAY LSINHGEVDT LAKILWGYGF LQLFFLLRLF PWIVEKGLNI DATA SEQUENCE GLWAFSFGLA SMANSATAFY HGNVLQGVSI FAFVFSNVMI GLLVLMTIYK DATA SEQUENCE LTKGQFFL 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.421 177.300 0.201 0.000 1.155 6 P CA 0.000 63.121 63.100 0.035 0.000 0.800 6 P CB 0.000 31.779 31.700 0.132 0.000 0.726 7 F N -1.502 118.395 119.950 -0.088 0.000 2.693 7 F HA 0.764 5.292 4.527 0.001 0.000 0.309 7 F C -3.077 172.428 175.800 -0.492 0.000 1.129 7 F CA -1.858 56.024 58.000 -0.196 0.000 0.948 7 F CB 1.326 40.218 39.000 -0.180 0.000 1.315 7 F HN 0.029 nan 8.300 nan 0.000 0.447 8 P HA 0.278 nan 4.420 nan 0.000 0.293 8 P C -0.873 176.271 177.300 -0.260 0.000 1.313 8 P CA -0.136 62.519 63.100 -0.742 0.000 0.787 8 P CB 1.837 33.096 31.700 -0.734 0.000 0.910 9 L N 7.203 128.247 121.223 -0.298 0.000 2.534 9 L HA 0.241 4.582 4.340 0.001 0.000 0.271 9 L C -2.332 174.467 176.870 -0.119 0.000 1.178 9 L CA -1.435 53.332 54.840 -0.121 0.000 0.907 9 L CB -0.471 41.501 42.059 -0.144 0.000 1.164 9 L HN 0.242 nan 8.230 nan 0.000 0.482 10 P HA 0.160 nan 4.420 nan 0.000 0.271 10 P C 0.442 177.677 177.300 -0.108 0.000 1.226 10 P CA -0.108 62.852 63.100 -0.234 0.000 0.765 10 P CB 0.773 32.218 31.700 -0.426 0.000 0.835 11 T N 2.021 116.613 114.554 0.063 0.000 2.803 11 T HA -0.126 4.225 4.350 0.001 0.000 0.269 11 T C 2.040 176.886 174.700 0.243 0.000 1.052 11 T CA 1.864 64.104 62.100 0.233 0.000 1.136 11 T CB -0.761 68.254 68.868 0.246 0.000 0.864 11 T HN 0.604 nan 8.240 nan 0.000 0.467 12 G N -0.056 108.783 108.800 0.066 0.000 2.501 12 G HA2 -0.203 3.757 3.960 0.001 0.000 0.220 12 G HA3 -0.203 3.757 3.960 0.001 0.000 0.220 12 G C 1.083 176.142 174.900 0.264 0.000 1.114 12 G CA 0.251 45.420 45.100 0.115 0.000 0.757 12 G HN 0.440 nan 8.290 nan 0.000 0.559 13 Y N -0.044 120.205 120.300 -0.085 0.000 2.403 13 Y HA 0.040 4.591 4.550 0.001 0.000 0.291 13 Y C 2.160 178.058 175.900 -0.004 0.000 1.143 13 Y CA -0.441 57.544 58.100 -0.192 0.000 1.257 13 Y CB -0.625 37.514 38.460 -0.535 0.000 0.984 13 Y HN 0.257 nan 8.280 nan 0.000 0.550 14 F N -0.637 119.443 119.950 0.217 0.000 2.373 14 F HA -0.128 4.400 4.527 0.001 0.000 0.300 14 F C 2.442 178.325 175.800 0.139 0.000 1.080 14 F CA 1.155 59.312 58.000 0.262 0.000 1.417 14 F CB -0.768 38.332 39.000 0.166 0.000 1.070 14 F HN 0.031 nan 8.300 nan 0.000 0.546 15 G N 0.168 109.111 108.800 0.239 0.000 2.470 15 G HA2 -0.204 3.756 3.960 0.001 0.000 0.220 15 G HA3 -0.204 3.756 3.960 0.001 0.000 0.220 15 G C 1.709 176.604 174.900 -0.008 0.000 1.121 15 G CA 0.810 46.003 45.100 0.154 0.000 0.766 15 G HN 0.375 nan 8.290 nan 0.000 0.553 16 I N 1.565 121.969 120.570 -0.276 0.000 2.133 16 I HA -0.079 4.091 4.170 0.001 0.000 0.238 16 I C 0.156 176.019 176.117 -0.423 0.000 1.074 16 I CA 0.983 61.786 61.300 -0.828 0.000 1.342 16 I CB -0.896 36.530 38.000 -0.955 0.000 1.053 16 I HN 0.109 nan 8.210 nan 0.000 0.404 17 P HA -0.181 nan 4.420 nan 0.000 0.218 17 P C 2.044 179.324 177.300 -0.032 0.000 1.149 17 P CA 1.447 64.491 63.100 -0.094 0.000 0.817 17 P CB 0.011 31.708 31.700 -0.005 0.000 0.785 18 L N 0.030 121.247 121.223 -0.010 0.000 1.970 18 L HA -0.126 4.214 4.340 0.001 0.000 0.212 18 L C 2.608 179.432 176.870 -0.076 0.000 1.071 18 L CA 2.410 57.190 54.840 -0.099 0.000 0.751 18 L CB -1.353 40.606 42.059 -0.165 0.000 0.889 18 L HN 0.006 nan 8.230 nan 0.000 0.432 19 G N -0.329 108.506 108.800 0.059 0.000 2.418 19 G HA2 -0.251 3.710 3.960 0.001 0.000 0.217 19 G HA3 -0.251 3.710 3.960 0.001 0.000 0.217 19 G C 1.537 176.555 174.900 0.197 0.000 1.158 19 G CA 0.996 46.229 45.100 0.222 0.000 0.771 19 G HN 0.386 nan 8.290 nan 0.000 0.545 20 L N 0.588 121.910 121.223 0.166 0.000 2.083 20 L HA -0.039 4.301 4.340 0.001 0.000 0.209 20 L C 3.408 180.314 176.870 0.060 0.000 1.083 20 L CA 0.973 55.886 54.840 0.121 0.000 0.752 20 L CB -0.430 41.666 42.059 0.060 0.000 0.899 20 L HN 0.314 nan 8.230 nan 0.000 0.433 21 A N 0.164 122.989 122.820 0.009 0.000 1.873 21 A HA -0.146 4.174 4.320 0.001 0.000 0.215 21 A C 2.556 180.136 177.584 -0.006 0.000 1.186 21 A CA 1.669 53.688 52.037 -0.031 0.000 0.616 21 A CB -0.751 18.193 19.000 -0.092 0.000 0.823 21 A HN 0.378 nan 8.150 nan 0.000 0.442 22 A N -0.704 122.125 122.820 0.015 0.000 1.940 22 A HA -0.071 4.249 4.320 0.001 0.000 0.219 22 A C 2.126 179.781 177.584 0.118 0.000 1.176 22 A CA 1.806 53.886 52.037 0.072 0.000 0.631 22 A CB -0.578 18.493 19.000 0.118 0.000 0.814 22 A HN 0.606 nan 8.150 nan 0.000 0.446 23 L N -0.296 121.009 121.223 0.136 0.000 2.093 23 L HA -0.070 4.271 4.340 0.001 0.000 0.208 23 L C 2.637 179.675 176.870 0.280 0.000 1.085 23 L CA 2.294 57.253 54.840 0.198 0.000 0.755 23 L CB -0.731 41.442 42.059 0.190 0.000 0.904 23 L HN 0.381 nan 8.230 nan 0.000 0.435 24 S N -0.787 115.014 115.700 0.167 0.000 2.365 24 S HA -0.216 4.255 4.470 0.001 0.000 0.225 24 S C 2.035 176.714 174.600 0.131 0.000 1.039 24 S CA 1.872 60.154 58.200 0.136 0.000 1.033 24 S CB -0.394 62.820 63.200 0.023 0.000 0.887 24 S HN 0.496 nan 8.310 nan 0.000 0.447 25 L N 0.915 122.160 121.223 0.036 0.000 2.141 25 L HA -0.006 4.335 4.340 0.001 0.000 0.209 25 L C 2.957 179.806 176.870 -0.035 0.000 1.094 25 L CA 1.010 55.801 54.840 -0.082 0.000 0.763 25 L CB -0.717 41.293 42.059 -0.083 0.000 0.908 25 L HN 0.412 nan 8.230 nan 0.000 0.437 26 A N -0.237 122.684 122.820 0.168 0.000 1.877 26 A HA -0.232 4.088 4.320 0.001 0.000 0.216 26 A C 1.914 179.671 177.584 0.287 0.000 1.186 26 A CA 1.595 53.786 52.037 0.258 0.000 0.620 26 A CB -0.993 18.148 19.000 0.235 0.000 0.822 26 A HN 0.492 nan 8.150 nan 0.000 0.443 27 W N -1.443 120.009 121.300 0.254 0.000 2.363 27 W HA -0.092 4.568 4.660 0.000 0.000 0.296 27 W C 1.974 178.579 176.519 0.144 0.000 1.212 27 W CA 1.052 58.553 57.345 0.261 0.000 1.260 27 W CB -0.641 28.954 29.460 0.225 0.000 1.131 27 W HN 0.417 nan 8.180 nan 0.000 0.530 28 F N 0.352 120.367 119.950 0.108 0.000 2.120 28 F HA -0.275 4.253 4.527 0.000 0.000 0.300 28 F C 2.094 177.867 175.800 -0.045 0.000 1.095 28 F CA 2.181 60.141 58.000 -0.066 0.000 1.249 28 F CB -0.764 38.078 39.000 -0.263 0.000 0.995 28 F HN -0.001 nan 8.300 nan 0.000 0.480 29 H N -0.835 118.322 119.070 0.145 0.000 2.563 29 H HA 0.083 4.640 4.556 0.001 0.000 0.272 29 H C 1.638 176.929 175.328 -0.061 0.000 1.005 29 H CA 0.311 56.358 56.048 -0.001 0.000 1.171 29 H CB -0.019 29.779 29.762 0.060 0.000 1.351 29 H HN 0.300 nan 8.280 nan 0.000 0.602 30 L N 0.011 121.262 121.223 0.046 0.000 2.607 30 L HA 0.026 4.366 4.340 0.001 0.000 0.228 30 L C 2.204 179.087 176.870 0.021 0.000 1.123 30 L CA 0.136 54.974 54.840 -0.003 0.000 0.890 30 L CB 0.109 42.121 42.059 -0.078 0.000 1.103 30 L HN 0.345 nan 8.230 nan 0.000 0.468 31 E N 1.209 121.375 120.200 -0.056 0.000 2.070 31 E HA -0.281 4.070 4.350 0.001 0.000 0.197 31 E C 1.417 177.986 176.600 -0.052 0.000 1.004 31 E CA 1.844 58.186 56.400 -0.097 0.000 0.805 31 E CB 0.169 29.723 29.700 -0.244 0.000 0.744 31 E HN 0.410 nan 8.360 nan 0.000 0.451 32 N N -0.366 118.310 118.700 -0.041 0.000 2.494 32 N HA -0.005 4.735 4.740 0.001 0.000 0.182 32 N C 1.378 176.926 175.510 0.063 0.000 1.076 32 N CA 0.485 53.538 53.050 0.005 0.000 0.908 32 N CB 0.168 38.661 38.487 0.010 0.000 0.967 32 N HN 0.249 nan 8.380 nan 0.000 0.449 33 L N -1.834 119.444 121.223 0.092 0.000 2.253 33 L HA 0.197 4.538 4.340 0.001 0.000 0.205 33 L C -0.158 176.822 176.870 0.183 0.000 1.078 33 L CA 0.378 55.295 54.840 0.128 0.000 0.805 33 L CB 0.193 42.323 42.059 0.118 0.000 0.963 33 L HN 0.055 nan 8.230 nan 0.000 0.459 34 F N 0.987 120.931 119.950 -0.011 0.000 2.959 34 F HA 0.433 4.960 4.527 -0.001 0.000 0.379 34 F C -2.385 173.434 175.800 0.033 0.000 1.215 34 F CA -2.973 55.031 58.000 0.006 0.000 1.190 34 F CB 0.897 39.889 39.000 -0.014 0.000 1.574 34 F HN -0.219 nan 8.300 nan 0.000 0.575 35 P HA -0.156 nan 4.420 nan 0.000 0.218 35 P C 1.494 178.584 177.300 -0.350 0.000 1.146 35 P CA 2.000 64.988 63.100 -0.186 0.000 0.813 35 P CB 0.185 31.829 31.700 -0.092 0.000 0.778 36 A N -0.023 122.382 122.820 -0.692 0.000 2.125 36 A HA -0.065 4.255 4.320 0.001 0.000 0.219 36 A C 2.245 179.493 177.584 -0.560 0.000 1.156 36 A CA 1.605 53.243 52.037 -0.665 0.000 0.671 36 A CB -1.422 17.122 19.000 -0.762 0.000 0.794 36 A HN 0.203 nan 8.150 nan 0.000 0.459 37 A N 0.103 122.567 122.820 -0.594 0.000 2.024 37 A HA -0.181 4.139 4.320 0.001 0.000 0.220 37 A C 2.131 179.771 177.584 0.093 0.000 1.164 37 A CA 2.065 54.162 52.037 0.100 0.000 0.643 37 A CB -0.413 18.794 19.000 0.345 0.000 0.806 37 A HN 0.472 nan 8.150 nan 0.000 0.451 38 R N -0.671 119.810 120.500 -0.030 0.000 2.081 38 R HA -0.115 4.225 4.340 0.001 0.000 0.235 38 R C 1.952 178.271 176.300 0.032 0.000 1.131 38 R CA 2.183 58.296 56.100 0.021 0.000 0.960 38 R CB -0.695 29.593 30.300 -0.020 0.000 0.856 38 R HN 0.458 nan 8.270 nan 0.000 0.436 39 M N -0.390 119.191 119.600 -0.031 0.000 2.117 39 M HA -0.079 4.402 4.480 0.001 0.000 0.262 39 M C 1.753 178.010 176.300 -0.072 0.000 1.065 39 M CA 1.597 56.880 55.300 -0.029 0.000 1.114 39 M CB -0.318 32.249 32.600 -0.056 0.000 1.361 39 M HN 0.028 nan 8.290 nan 0.000 0.408 40 V N -0.634 119.179 119.914 -0.169 0.000 2.287 40 V HA -0.276 3.844 4.120 0.001 0.000 0.248 40 V C 2.534 178.472 176.094 -0.261 0.000 1.053 40 V CA 2.123 64.205 62.300 -0.364 0.000 1.027 40 V CB -1.448 29.861 31.823 -0.857 0.000 0.646 40 V HN 0.698 nan 8.190 nan 0.000 0.447 41 S N -0.282 115.384 115.700 -0.056 0.000 2.359 41 S HA -0.258 4.212 4.470 0.001 0.000 0.224 41 S C 1.782 176.421 174.600 0.066 0.000 1.035 41 S CA 2.022 60.276 58.200 0.090 0.000 1.018 41 S CB -0.490 62.867 63.200 0.261 0.000 0.876 41 S HN 0.655 nan 8.310 nan 0.000 0.448 42 D N 0.549 121.011 120.400 0.104 0.000 2.117 42 D HA -0.060 4.580 4.640 0.001 0.000 0.197 42 D C 2.093 178.489 176.300 0.160 0.000 0.987 42 D CA 1.135 55.265 54.000 0.216 0.000 0.829 42 D CB -0.626 40.347 40.800 0.288 0.000 0.961 42 D HN 0.302 nan 8.370 nan 0.000 0.460 43 V N 0.856 120.799 119.914 0.048 0.000 2.295 43 V HA -0.205 3.916 4.120 0.001 0.000 0.246 43 V C 2.651 178.744 176.094 -0.002 0.000 1.049 43 V CA 1.116 63.419 62.300 0.004 0.000 1.024 43 V CB -0.473 31.319 31.823 -0.052 0.000 0.648 43 V HN 0.198 nan 8.190 nan 0.000 0.447 44 L N 0.324 121.528 121.223 -0.033 0.000 2.042 44 L HA -0.144 4.196 4.340 0.001 0.000 0.210 44 L C 2.606 179.487 176.870 0.018 0.000 1.076 44 L CA 1.878 56.708 54.840 -0.017 0.000 0.749 44 L CB -1.108 40.932 42.059 -0.032 0.000 0.893 44 L HN 0.488 nan 8.230 nan 0.000 0.432 45 G N -0.044 108.784 108.800 0.046 0.000 2.402 45 G HA2 -0.190 3.770 3.960 0.001 0.000 0.216 45 G HA3 -0.190 3.770 3.960 0.001 0.000 0.216 45 G C 1.583 176.547 174.900 0.107 0.000 1.162 45 G CA 0.588 45.726 45.100 0.062 0.000 0.777 45 G HN 0.273 nan 8.290 nan 0.000 0.539 46 I N 0.337 120.989 120.570 0.137 0.000 2.202 46 I HA -0.147 4.023 4.170 0.001 0.000 0.242 46 I C 2.789 178.922 176.117 0.027 0.000 1.091 46 I CA 0.482 61.831 61.300 0.082 0.000 1.368 46 I CB -0.242 37.778 38.000 0.034 0.000 1.058 46 I HN 0.017 nan 8.210 nan 0.000 0.410 47 V N 1.077 120.996 119.914 0.007 0.000 2.287 47 V HA -0.326 3.794 4.120 0.001 0.000 0.248 47 V C 2.721 178.794 176.094 -0.035 0.000 1.053 47 V CA 2.095 64.380 62.300 -0.024 0.000 1.027 47 V CB -1.099 30.706 31.823 -0.029 0.000 0.646 47 V HN 0.508 nan 8.190 nan 0.000 0.447 48 A N -0.445 122.364 122.820 -0.018 0.000 1.902 48 A HA -0.217 4.103 4.320 0.001 0.000 0.217 48 A C 2.487 180.080 177.584 0.015 0.000 1.181 48 A CA 2.334 54.353 52.037 -0.029 0.000 0.623 48 A CB -0.739 18.247 19.000 -0.024 0.000 0.818 48 A HN 0.511 nan 8.150 nan 0.000 0.443 49 S N -0.206 115.521 115.700 0.044 0.000 2.368 49 S HA -0.019 4.451 4.470 0.001 0.000 0.225 49 S C 2.302 177.010 174.600 0.180 0.000 1.030 49 S CA 1.140 59.415 58.200 0.124 0.000 0.999 49 S CB -0.454 62.808 63.200 0.104 0.000 0.844 49 S HN 0.797 nan 8.310 nan 0.000 0.459 50 A N 1.146 124.004 122.820 0.063 0.000 1.902 50 A HA -0.045 4.275 4.320 0.001 0.000 0.217 50 A C 2.332 179.878 177.584 -0.062 0.000 1.181 50 A CA 1.506 53.551 52.037 0.013 0.000 0.623 50 A CB -0.884 18.100 19.000 -0.025 0.000 0.818 50 A HN 0.345 nan 8.150 nan 0.000 0.443 51 V N -2.024 117.801 119.914 -0.149 0.000 2.343 51 V HA -0.259 3.861 4.120 0.001 0.000 0.247 51 V C 2.183 178.001 176.094 -0.459 0.000 1.051 51 V CA 1.851 63.898 62.300 -0.422 0.000 1.036 51 V CB -1.038 30.473 31.823 -0.519 0.000 0.654 51 V HN 0.866 nan 8.190 nan 0.000 0.451 52 W N 0.763 121.876 121.300 -0.311 0.000 2.335 52 W HA -0.226 4.434 4.660 0.000 0.000 0.311 52 W C 2.186 178.702 176.519 -0.005 0.000 1.213 52 W CA 1.999 59.277 57.345 -0.112 0.000 1.274 52 W CB -0.306 29.155 29.460 0.002 0.000 1.148 52 W HN 0.188 nan 8.180 nan 0.000 0.498 53 I N 0.224 120.787 120.570 -0.012 0.000 2.163 53 I HA -0.326 3.844 4.170 0.001 0.000 0.243 53 I C 2.440 178.447 176.117 -0.183 0.000 1.085 53 I CA 1.502 62.671 61.300 -0.217 0.000 1.347 53 I CB -0.904 37.096 38.000 0.001 0.000 1.044 53 I HN 0.104 nan 8.210 nan 0.000 0.408 54 L N 0.214 121.372 121.223 -0.108 0.000 2.046 54 L HA -0.212 4.129 4.340 0.001 0.000 0.208 54 L C 2.183 179.126 176.870 0.122 0.000 1.077 54 L CA 2.013 56.847 54.840 -0.011 0.000 0.747 54 L CB -0.666 41.394 42.059 0.003 0.000 0.896 54 L HN 0.041 nan 8.230 nan 0.000 0.432 55 F N -0.567 119.272 119.950 -0.185 0.000 2.259 55 F HA -0.100 4.427 4.527 0.001 0.000 0.298 55 F C 2.485 178.223 175.800 -0.103 0.000 1.088 55 F CA 0.405 58.230 58.000 -0.293 0.000 1.358 55 F CB -0.868 37.643 39.000 -0.815 0.000 1.040 55 F HN 0.047 nan 8.300 nan 0.000 0.505 56 I N -0.160 120.423 120.570 0.021 0.000 2.226 56 I HA -0.280 3.891 4.170 0.001 0.000 0.245 56 I C 2.473 178.625 176.117 0.059 0.000 1.100 56 I CA 1.264 62.570 61.300 0.011 0.000 1.374 56 I CB -1.228 36.487 38.000 -0.475 0.000 1.057 56 I HN 0.137 nan 8.210 nan 0.000 0.413 57 L N -0.318 120.901 121.223 -0.006 0.000 2.046 57 L HA -0.232 4.108 4.340 0.001 0.000 0.208 57 L C 2.732 179.644 176.870 0.070 0.000 1.077 57 L CA 1.364 56.220 54.840 0.027 0.000 0.747 57 L CB -0.462 41.594 42.059 -0.005 0.000 0.896 57 L HN 0.193 nan 8.230 nan 0.000 0.432 58 M N -1.828 117.801 119.600 0.047 0.000 2.159 58 M HA -0.264 4.217 4.480 0.001 0.000 0.263 58 M C 2.335 178.677 176.300 0.071 0.000 1.063 58 M CA 1.919 57.199 55.300 -0.032 0.000 1.110 58 M CB -0.513 32.009 32.600 -0.130 0.000 1.374 58 M HN 0.151 nan 8.290 nan 0.000 0.411 59 Y N 0.598 120.944 120.300 0.077 0.000 2.314 59 Y HA -0.065 4.485 4.550 0.001 0.000 0.293 59 Y C 2.443 178.404 175.900 0.101 0.000 1.129 59 Y CA 1.218 59.388 58.100 0.116 0.000 1.201 59 Y CB -0.198 38.397 38.460 0.225 0.000 0.999 59 Y HN 0.168 nan 8.280 nan 0.000 0.541 60 A N -0.780 122.158 122.820 0.197 0.000 1.933 60 A HA -0.268 4.052 4.320 0.001 0.000 0.218 60 A C 2.050 179.681 177.584 0.078 0.000 1.175 60 A CA 1.746 53.850 52.037 0.112 0.000 0.628 60 A CB -1.425 17.632 19.000 0.095 0.000 0.814 60 A HN 0.677 nan 8.150 nan 0.000 0.444 61 Y N 0.341 120.643 120.300 0.004 0.000 2.181 61 Y HA -0.214 4.337 4.550 0.001 0.000 0.288 61 Y C 2.446 178.404 175.900 0.097 0.000 1.146 61 Y CA 2.317 60.464 58.100 0.078 0.000 1.164 61 Y CB -0.121 38.368 38.460 0.049 0.000 0.982 61 Y HN 0.301 nan 8.280 nan 0.000 0.515 62 K N 0.141 120.616 120.400 0.125 0.000 2.032 62 K HA -0.215 4.106 4.320 0.001 0.000 0.209 62 K C 1.989 178.569 176.600 -0.034 0.000 1.048 62 K CA 1.882 58.165 56.287 -0.007 0.000 0.927 62 K CB -0.402 31.865 32.500 -0.388 0.000 0.712 62 K HN 0.394 nan 8.250 nan 0.000 0.441 63 L N 0.365 121.513 121.223 -0.125 0.000 2.083 63 L HA -0.174 4.166 4.340 0.001 0.000 0.209 63 L C 2.691 179.564 176.870 0.006 0.000 1.083 63 L CA 1.033 55.881 54.840 0.014 0.000 0.752 63 L CB -0.293 41.787 42.059 0.035 0.000 0.899 63 L HN 0.151 nan 8.230 nan 0.000 0.433 64 R N -0.492 119.885 120.500 -0.205 0.000 2.073 64 R HA -0.141 4.199 4.340 0.001 0.000 0.229 64 R C 1.536 177.457 176.300 -0.632 0.000 1.120 64 R CA 1.851 57.630 56.100 -0.535 0.000 0.967 64 R CB -0.340 29.440 30.300 -0.867 0.000 0.862 64 R HN 0.298 nan 8.270 nan 0.000 0.436 65 Y N -2.539 117.636 120.300 -0.208 0.000 2.430 65 Y HA 0.277 4.827 4.550 0.001 0.000 0.248 65 Y C 0.017 175.725 175.900 -0.321 0.000 1.108 65 Y CA -0.230 57.682 58.100 -0.313 0.000 1.264 65 Y CB 0.530 38.657 38.460 -0.556 0.000 1.172 65 Y HN -0.035 nan 8.280 nan 0.000 0.520 66 Y N -1.697 118.626 120.300 0.038 0.000 2.672 66 Y HA 0.153 4.704 4.550 0.001 0.000 0.272 66 Y C 1.104 177.014 175.900 0.018 0.000 1.055 66 Y CA -0.951 57.167 58.100 0.031 0.000 1.151 66 Y CB -0.315 38.147 38.460 0.004 0.000 1.190 66 Y HN 0.024 nan 8.280 nan 0.000 0.574 67 F N 1.374 121.330 119.950 0.011 0.000 2.161 67 F HA -0.190 4.337 4.527 0.001 0.000 0.300 67 F C 1.945 177.762 175.800 0.028 0.000 1.089 67 F CA 1.802 59.793 58.000 -0.015 0.000 1.282 67 F CB 0.325 39.292 39.000 -0.055 0.000 1.010 67 F HN 0.103 nan 8.300 nan 0.000 0.485 68 E N 0.526 120.763 120.200 0.062 0.000 2.204 68 E HA -0.201 4.150 4.350 0.001 0.000 0.195 68 E C 2.046 178.625 176.600 -0.035 0.000 0.990 68 E CA 1.320 57.723 56.400 0.005 0.000 0.821 68 E CB -0.409 29.341 29.700 0.083 0.000 0.750 68 E HN 0.639 nan 8.360 nan 0.000 0.477 69 E N 0.381 120.582 120.200 0.002 0.000 2.072 69 E HA -0.112 4.239 4.350 0.001 0.000 0.191 69 E C 2.250 178.822 176.600 -0.047 0.000 0.985 69 E CA 1.067 57.475 56.400 0.013 0.000 0.801 69 E CB 0.005 29.742 29.700 0.061 0.000 0.750 69 E HN 0.040 nan 8.360 nan 0.000 0.452 70 V N 1.449 121.262 119.914 -0.168 0.000 2.295 70 V HA -0.263 3.857 4.120 0.001 0.000 0.246 70 V C 2.478 178.452 176.094 -0.199 0.000 1.049 70 V CA 1.825 64.007 62.300 -0.197 0.000 1.024 70 V CB -0.552 31.056 31.823 -0.359 0.000 0.648 70 V HN 0.223 nan 8.190 nan 0.000 0.447 71 R N 0.147 120.398 120.500 -0.414 0.000 2.091 71 R HA -0.201 4.139 4.340 0.001 0.000 0.238 71 R C 2.288 178.651 176.300 0.106 0.000 1.136 71 R CA 1.838 57.817 56.100 -0.201 0.000 0.959 71 R CB -0.436 29.761 30.300 -0.173 0.000 0.856 71 R HN 0.506 nan 8.270 nan 0.000 0.437 72 A N 0.790 123.660 122.820 0.084 0.000 1.898 72 A HA -0.164 4.156 4.320 0.001 0.000 0.216 72 A C 1.908 179.596 177.584 0.172 0.000 1.181 72 A CA 1.467 53.592 52.037 0.147 0.000 0.620 72 A CB -0.359 18.703 19.000 0.103 0.000 0.819 72 A HN 0.476 nan 8.150 nan 0.000 0.442 73 E N -1.594 118.700 120.200 0.156 0.000 2.051 73 E HA -0.225 4.125 4.350 0.001 0.000 0.192 73 E C 1.853 178.612 176.600 0.266 0.000 0.991 73 E CA 1.545 58.070 56.400 0.209 0.000 0.799 73 E CB -0.336 29.490 29.700 0.210 0.000 0.748 73 E HN 0.772 nan 8.360 nan 0.000 0.449 74 Y N 0.812 121.168 120.300 0.094 0.000 2.128 74 Y HA -0.263 4.288 4.550 0.001 0.000 0.284 74 Y C 2.103 177.978 175.900 -0.043 0.000 1.154 74 Y CA 1.833 59.959 58.100 0.044 0.000 1.149 74 Y CB 0.005 38.380 38.460 -0.140 0.000 0.976 74 Y HN 0.157 nan 8.280 nan 0.000 0.505 75 H N -1.039 118.126 119.070 0.157 0.000 2.548 75 H HA 0.105 4.662 4.556 0.001 0.000 0.268 75 H C 0.984 176.317 175.328 0.007 0.000 0.975 75 H CA 0.783 56.843 56.048 0.021 0.000 1.195 75 H CB -0.214 29.607 29.762 0.099 0.000 1.397 75 H HN 0.138 nan 8.280 nan 0.000 0.572 76 S N 3.047 118.855 115.700 0.179 0.000 2.533 76 S HA 0.026 4.496 4.470 0.001 0.000 0.282 76 S C -1.232 173.488 174.600 0.199 0.000 1.304 76 S CA -1.254 57.046 58.200 0.167 0.000 1.063 76 S CB 1.130 64.442 63.200 0.187 0.000 0.881 76 S HN 0.133 nan 8.310 nan 0.000 0.493 77 P HA 0.018 nan 4.420 nan 0.000 0.237 77 P C 0.971 178.482 177.300 0.351 0.000 1.178 77 P CA 0.405 63.641 63.100 0.227 0.000 0.766 77 P CB 0.145 31.932 31.700 0.145 0.000 0.876 78 V N 0.162 120.178 119.914 0.169 0.000 2.743 78 V HA 0.122 4.243 4.120 0.001 0.000 0.237 78 V C 2.546 178.693 176.094 0.088 0.000 1.113 78 V CA 0.841 63.149 62.300 0.014 0.000 1.141 78 V CB -0.591 31.080 31.823 -0.252 0.000 0.873 78 V HN -0.038 nan 8.190 nan 0.000 0.486 79 R N 0.441 121.071 120.500 0.215 0.000 2.236 79 R HA -0.019 4.322 4.340 0.001 0.000 0.208 79 R C 2.237 178.710 176.300 0.288 0.000 1.036 79 R CA 1.285 57.587 56.100 0.336 0.000 1.001 79 R CB -0.368 30.118 30.300 0.311 0.000 0.896 79 R HN 0.715 nan 8.270 nan 0.000 0.464 80 F N 0.138 120.170 119.950 0.136 0.000 2.202 80 F HA -0.097 4.430 4.527 0.001 0.000 0.301 80 F C 1.916 177.842 175.800 0.209 0.000 1.082 80 F CA 0.894 58.984 58.000 0.149 0.000 1.313 80 F CB -0.579 38.390 39.000 -0.051 0.000 1.024 80 F HN -0.225 nan 8.300 nan 0.000 0.495 81 S N 0.849 115.949 115.700 -1.000 0.000 2.383 81 S HA -0.151 4.320 4.470 0.001 0.000 0.229 81 S C 1.575 175.885 174.600 -0.485 0.000 1.030 81 S CA 1.552 59.179 58.200 -0.956 0.000 1.002 81 S CB -0.793 61.778 63.200 -1.048 0.000 0.829 81 S HN 0.440 nan 8.310 nan 0.000 0.467 82 F N 1.450 121.332 119.950 -0.113 0.000 2.269 82 F HA 0.031 4.559 4.527 0.001 0.000 0.301 82 F C 1.884 177.610 175.800 -0.123 0.000 1.082 82 F CA 0.278 58.252 58.000 -0.044 0.000 1.360 82 F CB -0.767 38.257 39.000 0.040 0.000 1.041 82 F HN 0.173 nan 8.300 nan 0.000 0.512 83 I N 0.009 120.558 120.570 -0.034 0.000 2.335 83 I HA -0.313 3.857 4.170 0.001 0.000 0.251 83 I C 2.562 178.357 176.117 -0.536 0.000 1.129 83 I CA 1.077 62.191 61.300 -0.310 0.000 1.402 83 I CB -0.718 37.108 38.000 -0.290 0.000 1.069 83 I HN 0.120 nan 8.210 nan 0.000 0.424 84 A N 0.868 123.415 122.820 -0.455 0.000 2.070 84 A HA -0.132 4.189 4.320 0.001 0.000 0.220 84 A C 2.243 179.697 177.584 -0.217 0.000 1.159 84 A CA 1.128 52.959 52.037 -0.343 0.000 0.656 84 A CB -0.745 18.180 19.000 -0.126 0.000 0.800 84 A HN 0.432 nan 8.150 nan 0.000 0.453 85 L N -0.687 120.436 121.223 -0.167 0.000 2.187 85 L HA -0.212 4.129 4.340 0.001 0.000 0.213 85 L C 2.311 179.034 176.870 -0.246 0.000 1.100 85 L CA 1.046 55.826 54.840 -0.100 0.000 0.765 85 L CB -0.578 41.519 42.059 0.064 0.000 0.904 85 L HN 0.418 nan 8.230 nan 0.000 0.437 86 I N 0.057 120.324 120.570 -0.505 0.000 2.133 86 I HA -0.162 4.009 4.170 0.001 0.000 0.238 86 I C -0.196 175.790 176.117 -0.218 0.000 1.074 86 I CA 1.265 62.185 61.300 -0.634 0.000 1.342 86 I CB -1.526 35.964 38.000 -0.851 0.000 1.053 86 I HN 0.205 nan 8.210 nan 0.000 0.404 87 P HA -0.111 nan 4.420 nan 0.000 0.219 87 P C 1.914 179.174 177.300 -0.066 0.000 1.150 87 P CA 1.541 64.590 63.100 -0.085 0.000 0.814 87 P CB -0.007 31.640 31.700 -0.088 0.000 0.787 88 I N 0.114 120.640 120.570 -0.074 0.000 2.127 88 I HA -0.239 3.932 4.170 0.001 0.000 0.241 88 I C 2.295 178.360 176.117 -0.086 0.000 1.075 88 I CA 2.069 63.338 61.300 -0.052 0.000 1.334 88 I CB -1.331 36.658 38.000 -0.020 0.000 1.040 88 I HN -0.012 nan 8.210 nan 0.000 0.405 89 T N -0.303 114.221 114.554 -0.050 0.000 2.788 89 T HA -0.158 4.193 4.350 0.001 0.000 0.268 89 T C 1.861 176.405 174.700 -0.260 0.000 1.044 89 T CA 1.869 63.937 62.100 -0.053 0.000 1.139 89 T CB -0.428 68.591 68.868 0.252 0.000 0.867 89 T HN 0.374 nan 8.240 nan 0.000 0.454 90 T N 2.359 116.851 114.554 -0.104 0.000 2.720 90 T HA -0.028 4.322 4.350 0.001 0.000 0.268 90 T C 2.050 176.566 174.700 -0.306 0.000 1.037 90 T CA 1.177 63.142 62.100 -0.225 0.000 1.144 90 T CB -0.354 68.598 68.868 0.141 0.000 0.864 90 T HN 0.350 nan 8.240 nan 0.000 0.444 91 M N 0.381 119.863 119.600 -0.196 0.000 2.132 91 M HA 0.015 4.495 4.480 0.001 0.000 0.263 91 M C 2.241 178.406 176.300 -0.226 0.000 1.065 91 M CA 1.470 56.650 55.300 -0.200 0.000 1.122 91 M CB -0.604 31.897 32.600 -0.165 0.000 1.365 91 M HN 0.195 nan 8.290 nan 0.000 0.411 92 L N -0.657 120.432 121.223 -0.224 0.000 2.046 92 L HA -0.177 4.164 4.340 0.001 0.000 0.208 92 L C 2.440 179.146 176.870 -0.272 0.000 1.077 92 L CA 0.810 55.523 54.840 -0.211 0.000 0.747 92 L CB -0.730 41.222 42.059 -0.177 0.000 0.896 92 L HN 0.119 nan 8.230 nan 0.000 0.432 93 V N 0.271 119.935 119.914 -0.416 0.000 2.343 93 V HA -0.213 3.908 4.120 0.001 0.000 0.247 93 V C 2.652 178.546 176.094 -0.333 0.000 1.051 93 V CA 1.984 64.003 62.300 -0.469 0.000 1.036 93 V CB -1.252 30.009 31.823 -0.936 0.000 0.654 93 V HN 0.575 nan 8.190 nan 0.000 0.451 94 G N -0.189 108.423 108.800 -0.313 0.000 2.476 94 G HA2 -0.302 3.658 3.960 0.001 0.000 0.218 94 G HA3 -0.302 3.658 3.960 0.001 0.000 0.218 94 G C 1.201 176.017 174.900 -0.140 0.000 1.164 94 G CA 1.241 46.235 45.100 -0.177 0.000 0.768 94 G HN 0.511 nan 8.290 nan 0.000 0.560 95 D N 0.486 120.771 120.400 -0.191 0.000 2.123 95 D HA -0.086 4.554 4.640 0.001 0.000 0.196 95 D C 2.502 178.650 176.300 -0.253 0.000 0.992 95 D CA 0.524 54.398 54.000 -0.211 0.000 0.833 95 D CB -0.225 40.448 40.800 -0.212 0.000 0.954 95 D HN 0.399 nan 8.370 nan 0.000 0.455 96 I N 0.335 120.746 120.570 -0.266 0.000 2.127 96 I HA -0.245 3.925 4.170 0.001 0.000 0.241 96 I C 2.252 178.169 176.117 -0.334 0.000 1.075 96 I CA 0.859 61.955 61.300 -0.339 0.000 1.334 96 I CB -0.207 37.666 38.000 -0.212 0.000 1.040 96 I HN 0.005 nan 8.210 nan 0.000 0.405 97 L N -0.743 120.406 121.223 -0.123 0.000 2.265 97 L HA -0.238 4.103 4.340 0.001 0.000 0.215 97 L C 2.555 179.414 176.870 -0.019 0.000 1.117 97 L CA 1.007 55.868 54.840 0.034 0.000 0.782 97 L CB -0.768 41.342 42.059 0.086 0.000 0.914 97 L HN 0.285 nan 8.230 nan 0.000 0.441 98 Y N 1.917 122.100 120.300 -0.195 0.000 2.241 98 Y HA -0.315 4.235 4.550 0.000 0.000 0.286 98 Y C 2.805 178.583 175.900 -0.204 0.000 1.166 98 Y CA 1.875 59.876 58.100 -0.165 0.000 1.203 98 Y CB -0.173 38.177 38.460 -0.183 0.000 0.977 98 Y HN 0.209 nan 8.280 nan 0.000 0.529 99 R N -1.502 118.798 120.500 -0.334 0.000 2.189 99 R HA -0.158 4.182 4.340 0.001 0.000 0.223 99 R C 1.309 177.369 176.300 -0.399 0.000 1.092 99 R CA 1.583 57.414 56.100 -0.448 0.000 0.989 99 R CB -0.746 29.080 30.300 -0.790 0.000 0.876 99 R HN 0.380 nan 8.270 nan 0.000 0.457 100 W N -0.103 121.149 121.300 -0.080 0.000 2.866 100 W HA 0.317 4.977 4.660 -0.000 0.000 0.258 100 W C 0.357 176.819 176.519 -0.094 0.000 1.183 100 W CA -0.436 56.870 57.345 -0.066 0.000 1.451 100 W CB 0.104 29.538 29.460 -0.044 0.000 0.959 100 W HN 0.036 nan 8.180 nan 0.000 0.622 101 N N 0.225 118.969 118.700 0.074 0.000 2.751 101 N HA 0.155 4.896 4.740 0.001 0.000 0.238 101 N C -2.463 172.994 175.510 -0.089 0.000 1.351 101 N CA -1.187 51.867 53.050 0.007 0.000 0.751 101 N CB 1.456 39.986 38.487 0.073 0.000 1.342 101 N HN -0.330 nan 8.380 nan 0.000 0.540 102 P HA -0.050 nan 4.420 nan 0.000 0.219 102 P C 1.586 178.879 177.300 -0.012 0.000 1.146 102 P CA 0.840 63.735 63.100 -0.342 0.000 0.808 102 P CB 0.591 31.965 31.700 -0.543 0.000 0.779 103 L N -1.481 119.747 121.223 0.009 0.000 2.023 103 L HA -0.118 4.222 4.340 0.001 0.000 0.205 103 L C 2.432 179.357 176.870 0.092 0.000 1.073 103 L CA 1.398 56.280 54.840 0.069 0.000 0.745 103 L CB -0.876 41.215 42.059 0.054 0.000 0.900 103 L HN -0.076 nan 8.230 nan 0.000 0.435 104 I N 0.231 120.845 120.570 0.073 0.000 2.226 104 I HA -0.278 3.892 4.170 0.001 0.000 0.245 104 I C 2.870 179.040 176.117 0.088 0.000 1.100 104 I CA 1.105 62.456 61.300 0.085 0.000 1.374 104 I CB -0.499 37.549 38.000 0.079 0.000 1.057 104 I HN 0.208 nan 8.210 nan 0.000 0.413 105 A N 0.612 123.484 122.820 0.087 0.000 1.883 105 A HA -0.304 4.016 4.320 0.001 0.000 0.217 105 A C 2.300 179.938 177.584 0.090 0.000 1.186 105 A CA 2.240 54.332 52.037 0.091 0.000 0.624 105 A CB -0.725 18.390 19.000 0.192 0.000 0.822 105 A HN 0.515 nan 8.150 nan 0.000 0.444 106 E N -0.373 119.919 120.200 0.153 0.000 2.110 106 E HA -0.127 4.224 4.350 0.001 0.000 0.193 106 E C 1.829 178.556 176.600 0.213 0.000 0.988 106 E CA 1.353 57.854 56.400 0.169 0.000 0.804 106 E CB -0.167 29.700 29.700 0.279 0.000 0.745 106 E HN 0.304 nan 8.360 nan 0.000 0.458 107 V N 1.223 121.258 119.914 0.202 0.000 2.287 107 V HA -0.290 3.831 4.120 0.001 0.000 0.248 107 V C 2.449 178.638 176.094 0.159 0.000 1.053 107 V CA 1.714 64.136 62.300 0.204 0.000 1.027 107 V CB -0.490 31.423 31.823 0.150 0.000 0.646 107 V HN 0.370 nan 8.190 nan 0.000 0.447 108 L N -0.827 120.451 121.223 0.092 0.000 2.046 108 L HA -0.189 4.152 4.340 0.001 0.000 0.208 108 L C 2.374 179.234 176.870 -0.016 0.000 1.077 108 L CA 1.664 56.529 54.840 0.043 0.000 0.747 108 L CB -0.503 41.535 42.059 -0.035 0.000 0.896 108 L HN 0.277 nan 8.230 nan 0.000 0.432 109 I N -1.500 119.020 120.570 -0.083 0.000 2.226 109 I HA -0.294 3.876 4.170 0.001 0.000 0.245 109 I C 2.257 178.228 176.117 -0.245 0.000 1.100 109 I CA 1.764 62.926 61.300 -0.229 0.000 1.374 109 I CB -0.271 37.517 38.000 -0.353 0.000 1.057 109 I HN 0.298 nan 8.210 nan 0.000 0.413 110 W N 0.679 121.956 121.300 -0.037 0.000 2.388 110 W HA -0.081 4.580 4.660 0.001 0.000 0.294 110 W C 2.425 178.929 176.519 -0.025 0.000 1.212 110 W CA 0.484 57.803 57.345 -0.043 0.000 1.271 110 W CB -0.248 29.198 29.460 -0.025 0.000 1.126 110 W HN 0.003 nan 8.180 nan 0.000 0.535 111 I N 0.135 120.831 120.570 0.210 0.000 2.163 111 I HA -0.237 3.933 4.170 0.001 0.000 0.243 111 I C 2.656 178.826 176.117 0.089 0.000 1.085 111 I CA 1.708 63.094 61.300 0.143 0.000 1.347 111 I CB -1.100 36.979 38.000 0.132 0.000 1.044 111 I HN 0.084 nan 8.210 nan 0.000 0.408 112 G N -0.388 108.434 108.800 0.036 0.000 2.422 112 G HA2 -0.175 3.785 3.960 0.001 0.000 0.218 112 G HA3 -0.175 3.785 3.960 0.001 0.000 0.218 112 G C 1.648 176.528 174.900 -0.033 0.000 1.140 112 G CA 1.157 46.250 45.100 -0.011 0.000 0.775 112 G HN 0.270 nan 8.290 nan 0.000 0.545 113 T N 1.372 115.885 114.554 -0.068 0.000 2.701 113 T HA -0.023 4.327 4.350 0.001 0.000 0.263 113 T C 2.408 177.139 174.700 0.053 0.000 1.040 113 T CA 0.924 62.955 62.100 -0.116 0.000 1.147 113 T CB -0.156 68.533 68.868 -0.299 0.000 0.865 113 T HN 0.234 nan 8.240 nan 0.000 0.426 114 I N 1.210 121.865 120.570 0.141 0.000 2.226 114 I HA -0.104 4.067 4.170 0.001 0.000 0.245 114 I C 2.874 179.068 176.117 0.128 0.000 1.100 114 I CA 1.269 62.666 61.300 0.162 0.000 1.374 114 I CB -0.763 37.333 38.000 0.160 0.000 1.057 114 I HN 0.309 nan 8.210 nan 0.000 0.413 115 G N 1.098 109.958 108.800 0.100 0.000 2.446 115 G HA2 -0.326 3.634 3.960 0.001 0.000 0.217 115 G HA3 -0.326 3.634 3.960 0.001 0.000 0.217 115 G C 1.531 176.501 174.900 0.117 0.000 1.168 115 G CA 1.163 46.318 45.100 0.090 0.000 0.771 115 G HN 0.522 nan 8.290 nan 0.000 0.551 116 Q N -0.020 119.834 119.800 0.090 0.000 2.119 116 Q HA 0.066 4.406 4.340 0.001 0.000 0.201 116 Q C 2.270 178.383 176.000 0.189 0.000 0.972 116 Q CA 1.401 57.280 55.803 0.127 0.000 0.847 116 Q CB -0.683 28.091 28.738 0.061 0.000 0.903 116 Q HN 0.364 nan 8.270 nan 0.000 0.433 117 L N -0.213 121.118 121.223 0.181 0.000 2.056 117 L HA 0.006 4.347 4.340 0.001 0.000 0.207 117 L C 2.066 179.015 176.870 0.133 0.000 1.078 117 L CA 1.448 56.398 54.840 0.184 0.000 0.749 117 L CB -0.794 41.419 42.059 0.257 0.000 0.901 117 L HN 0.447 nan 8.230 nan 0.000 0.433 118 L N -1.248 120.062 121.223 0.145 0.000 2.017 118 L HA -0.216 4.125 4.340 0.001 0.000 0.208 118 L C 2.326 179.285 176.870 0.148 0.000 1.073 118 L CA 1.890 56.804 54.840 0.124 0.000 0.745 118 L CB -0.972 41.164 42.059 0.128 0.000 0.894 118 L HN 0.344 nan 8.230 nan 0.000 0.432 119 F N -0.285 119.699 119.950 0.057 0.000 2.095 119 F HA -0.226 4.302 4.527 0.001 0.000 0.298 119 F C 2.539 178.355 175.800 0.028 0.000 1.104 119 F CA 1.978 60.023 58.000 0.076 0.000 1.232 119 F CB -0.629 38.419 39.000 0.080 0.000 0.987 119 F HN 0.105 nan 8.300 nan 0.000 0.475 120 S N -0.688 115.010 115.700 -0.003 0.000 2.368 120 S HA -0.165 4.306 4.470 0.001 0.000 0.224 120 S C 1.959 176.427 174.600 -0.221 0.000 1.029 120 S CA 1.635 59.737 58.200 -0.163 0.000 0.988 120 S CB -0.564 62.599 63.200 -0.063 0.000 0.838 120 S HN 0.477 nan 8.310 nan 0.000 0.462 121 T N 2.741 117.217 114.554 -0.131 0.000 2.720 121 T HA -0.014 4.337 4.350 0.001 0.000 0.268 121 T C 1.690 176.275 174.700 -0.190 0.000 1.037 121 T CA 1.032 63.040 62.100 -0.152 0.000 1.144 121 T CB -0.345 68.479 68.868 -0.073 0.000 0.864 121 T HN 0.256 nan 8.240 nan 0.000 0.444 122 L N -0.295 120.830 121.223 -0.163 0.000 2.072 122 L HA 0.057 4.397 4.340 0.001 0.000 0.205 122 L C 2.773 179.462 176.870 -0.301 0.000 1.079 122 L CA 1.096 55.842 54.840 -0.157 0.000 0.752 122 L CB -0.187 41.857 42.059 -0.026 0.000 0.906 122 L HN 0.057 nan 8.230 nan 0.000 0.436 123 R N -0.893 119.305 120.500 -0.504 0.000 2.142 123 R HA 0.057 4.398 4.340 0.001 0.000 0.204 123 R C 1.958 177.831 176.300 -0.711 0.000 1.059 123 R CA 0.649 56.299 56.100 -0.749 0.000 1.055 123 R CB -0.371 29.215 30.300 -1.191 0.000 0.976 123 R HN -0.035 nan 8.270 nan 0.000 0.483 124 V N 1.105 120.690 119.914 -0.549 0.000 2.343 124 V HA -0.229 3.892 4.120 0.001 0.000 0.247 124 V C 2.195 177.980 176.094 -0.516 0.000 1.051 124 V CA 2.136 64.203 62.300 -0.387 0.000 1.036 124 V CB -0.593 31.071 31.823 -0.266 0.000 0.654 124 V HN 0.579 nan 8.190 nan 0.000 0.451 125 S N -0.059 115.260 115.700 -0.635 0.000 2.382 125 S HA -0.279 4.192 4.470 0.001 0.000 0.228 125 S C 1.940 176.168 174.600 -0.620 0.000 1.027 125 S CA 1.731 59.377 58.200 -0.924 0.000 0.991 125 S CB -0.518 62.261 63.200 -0.702 0.000 0.823 125 S HN 0.714 nan 8.310 nan 0.000 0.469 126 E N 1.235 121.188 120.200 -0.413 0.000 2.153 126 E HA -0.101 4.249 4.350 0.001 0.000 0.194 126 E C 1.929 178.421 176.600 -0.180 0.000 0.988 126 E CA 1.097 57.344 56.400 -0.255 0.000 0.811 126 E CB -0.369 29.185 29.700 -0.244 0.000 0.746 126 E HN 0.644 nan 8.360 nan 0.000 0.466 127 L N -0.316 120.774 121.223 -0.222 0.000 2.127 127 L HA -0.192 4.149 4.340 0.001 0.000 0.211 127 L C 1.937 178.849 176.870 0.070 0.000 1.089 127 L CA 0.819 55.605 54.840 -0.089 0.000 0.757 127 L CB -0.530 41.453 42.059 -0.126 0.000 0.899 127 L HN 0.342 nan 8.230 nan 0.000 0.434 128 W N 0.567 121.785 121.300 -0.137 0.000 2.721 128 W HA -0.082 4.578 4.660 0.001 0.000 0.245 128 W C 2.385 178.858 176.519 -0.078 0.000 1.276 128 W CA 0.167 57.446 57.345 -0.111 0.000 1.342 128 W CB -0.914 28.492 29.460 -0.089 0.000 1.135 128 W HN 0.340 nan 8.180 nan 0.000 0.654 129 Q N -0.023 119.852 119.800 0.126 0.000 2.369 129 Q HA 0.201 4.541 4.340 0.001 0.000 0.206 129 Q C 1.309 177.339 176.000 0.051 0.000 0.963 129 Q CA 0.909 56.753 55.803 0.068 0.000 0.894 129 Q CB -0.238 28.516 28.738 0.026 0.000 0.965 129 Q HN 0.143 nan 8.270 nan 0.000 0.475 130 G N -1.011 107.823 108.800 0.056 0.000 2.758 130 G HA2 -0.024 3.937 3.960 0.001 0.000 0.686 130 G HA3 -0.024 3.937 3.960 0.001 0.000 0.686 130 G C 0.472 175.403 174.900 0.051 0.000 1.389 130 G CA -0.412 44.719 45.100 0.050 0.000 0.845 130 G HN 0.640 nan 8.290 nan 0.000 0.572 131 G N -2.249 106.587 108.800 0.061 0.000 2.176 131 G HA2 -0.065 3.895 3.960 0.001 0.000 0.253 131 G HA3 -0.065 3.895 3.960 0.001 0.000 0.253 131 G C 1.181 176.112 174.900 0.051 0.000 0.979 131 G CA 1.529 46.658 45.100 0.048 0.000 0.641 131 G HN 1.932 nan 8.290 nan 0.000 0.530 132 V N -0.449 119.510 119.914 0.075 0.000 2.870 132 V HA 0.461 4.581 4.120 0.001 0.000 0.232 132 V C 1.281 177.436 176.094 0.101 0.000 1.161 132 V CA 0.662 63.004 62.300 0.069 0.000 1.204 132 V CB -0.494 31.360 31.823 0.050 0.000 1.003 132 V HN 0.336 nan 8.190 nan 0.000 0.499 133 F N 2.188 122.124 119.950 -0.022 0.000 2.608 133 F HA 0.178 4.706 4.527 0.001 0.000 0.380 133 F C 0.598 176.380 175.800 -0.030 0.000 1.083 133 F CA 0.549 58.534 58.000 -0.026 0.000 1.266 133 F CB 0.246 39.235 39.000 -0.019 0.000 1.076 133 F HN 0.228 nan 8.300 nan 0.000 0.574 134 E N 2.952 123.000 120.200 -0.253 0.000 2.339 134 E HA 0.092 4.442 4.350 0.001 0.000 0.262 134 E C 0.208 176.639 176.600 -0.280 0.000 0.934 134 E CA -0.854 55.456 56.400 -0.149 0.000 0.802 134 E CB 1.585 31.209 29.700 -0.127 0.000 1.275 134 E HN 0.600 nan 8.360 nan 0.000 0.427 135 Q N 1.704 121.440 119.800 -0.106 0.000 2.112 135 Q HA -0.238 4.102 4.340 0.001 0.000 0.206 135 Q C 1.684 177.483 176.000 -0.334 0.000 0.987 135 Q CA 2.302 58.025 55.803 -0.134 0.000 0.858 135 Q CB -0.150 28.586 28.738 -0.003 0.000 0.905 135 Q HN 0.496 nan 8.270 nan 0.000 0.420 136 K N -1.133 119.151 120.400 -0.193 0.000 2.442 136 K HA 0.016 4.337 4.320 0.001 0.000 0.198 136 K C 1.366 177.776 176.600 -0.316 0.000 1.044 136 K CA 1.330 57.547 56.287 -0.117 0.000 0.948 136 K CB -0.027 32.478 32.500 0.008 0.000 0.762 136 K HN -0.010 nan 8.250 nan 0.000 0.472 137 S N 0.876 116.190 115.700 -0.644 0.000 2.603 137 S HA -0.009 4.461 4.470 0.001 0.000 0.220 137 S C 0.123 174.301 174.600 -0.704 0.000 0.967 137 S CA 0.311 57.970 58.200 -0.901 0.000 0.920 137 S CB 0.112 62.430 63.200 -1.470 0.000 0.773 137 S HN 0.318 nan 8.310 nan 0.000 0.529 138 T N 3.224 117.500 114.554 -0.464 0.000 3.455 138 T HA 0.177 4.528 4.350 0.001 0.000 0.286 138 T C -0.182 174.647 174.700 0.214 0.000 1.157 138 T CA 0.164 62.215 62.100 -0.081 0.000 1.090 138 T CB -0.336 68.341 68.868 -0.319 0.000 1.112 138 T HN 0.422 nan 8.240 nan 0.000 0.779 139 H N 2.106 121.233 119.070 0.096 0.000 2.621 139 H HA 0.200 4.757 4.556 0.001 0.000 0.360 139 H C -1.691 173.743 175.328 0.177 0.000 1.163 139 H CA -2.803 53.306 56.048 0.103 0.000 1.194 139 H CB 2.288 32.045 29.762 -0.008 0.000 1.649 139 H HN 0.123 nan 8.280 nan 0.000 0.532 140 P HA -0.193 nan 4.420 nan 0.000 0.219 140 P C 1.425 178.833 177.300 0.180 0.000 1.146 140 P CA 1.493 64.731 63.100 0.230 0.000 0.808 140 P CB 0.155 32.022 31.700 0.278 0.000 0.779 141 S N -1.343 114.424 115.700 0.111 0.000 2.440 141 S HA -0.214 4.256 4.470 0.001 0.000 0.238 141 S C 1.775 176.248 174.600 -0.212 0.000 1.010 141 S CA 0.736 58.853 58.200 -0.139 0.000 0.972 141 S CB -1.848 61.051 63.200 -0.501 0.000 0.774 141 S HN 0.107 nan 8.310 nan 0.000 0.501 142 F N 1.874 121.639 119.950 -0.307 0.000 2.250 142 F HA -0.076 4.451 4.527 0.001 0.000 0.301 142 F C 1.760 177.330 175.800 -0.385 0.000 1.077 142 F CA 0.878 58.603 58.000 -0.459 0.000 1.348 142 F CB -0.437 38.152 39.000 -0.684 0.000 1.040 142 F HN 0.090 nan 8.300 nan 0.000 0.509 143 Y N 0.330 120.594 120.300 -0.062 0.000 2.315 143 Y HA -0.239 4.312 4.550 0.001 0.000 0.288 143 Y C 2.160 177.956 175.900 -0.173 0.000 1.154 143 Y CA 1.231 59.287 58.100 -0.073 0.000 1.229 143 Y CB -1.041 37.455 38.460 0.059 0.000 0.980 143 Y HN 0.123 nan 8.280 nan 0.000 0.540 144 L N 0.243 121.436 121.223 -0.050 0.000 1.976 144 L HA -0.169 4.172 4.340 0.001 0.000 0.209 144 L C -0.109 176.700 176.870 -0.102 0.000 1.071 144 L CA 1.457 56.270 54.840 -0.045 0.000 0.746 144 L CB -1.898 40.113 42.059 -0.081 0.000 0.890 144 L HN 0.141 nan 8.230 nan 0.000 0.432 145 P HA -0.071 nan 4.420 nan 0.000 0.220 145 P C 1.185 178.369 177.300 -0.194 0.000 1.152 145 P CA 1.638 64.670 63.100 -0.113 0.000 0.812 145 P CB 0.161 31.829 31.700 -0.053 0.000 0.792 146 A N -0.804 121.779 122.820 -0.395 0.000 2.021 146 A HA 0.108 4.428 4.320 0.001 0.000 0.216 146 A C 2.085 179.552 177.584 -0.195 0.000 1.163 146 A CA 1.319 53.131 52.037 -0.374 0.000 0.676 146 A CB -0.667 17.909 19.000 -0.708 0.000 0.818 146 A HN 0.086 nan 8.150 nan 0.000 0.453 147 V N -2.156 117.651 119.914 -0.177 0.000 3.278 147 V HA 0.197 4.318 4.120 0.001 0.000 0.215 147 V C 2.639 178.501 176.094 -0.386 0.000 1.287 147 V CA 0.674 62.797 62.300 -0.294 0.000 1.302 147 V CB -0.748 31.025 31.823 -0.083 0.000 1.228 147 V HN 0.382 nan 8.190 nan 0.000 0.523 148 A N 0.547 123.286 122.820 -0.135 0.000 1.902 148 A HA -0.096 4.224 4.320 0.001 0.000 0.217 148 A C 2.278 179.924 177.584 0.103 0.000 1.181 148 A CA 2.437 54.487 52.037 0.022 0.000 0.623 148 A CB -0.794 18.275 19.000 0.115 0.000 0.818 148 A HN 0.665 nan 8.150 nan 0.000 0.443 149 A N 0.287 123.134 122.820 0.045 0.000 1.902 149 A HA -0.201 4.119 4.320 0.001 0.000 0.217 149 A C 1.959 179.571 177.584 0.047 0.000 1.181 149 A CA 1.702 53.771 52.037 0.054 0.000 0.623 149 A CB -0.603 18.418 19.000 0.036 0.000 0.818 149 A HN 0.588 nan 8.150 nan 0.000 0.443 150 N N -0.605 118.098 118.700 0.005 0.000 2.142 150 N HA -0.111 4.630 4.740 0.001 0.000 0.186 150 N C 1.409 177.015 175.510 0.160 0.000 1.023 150 N CA 1.399 54.503 53.050 0.091 0.000 0.852 150 N CB -0.548 37.935 38.487 -0.007 0.000 0.998 150 N HN 0.436 nan 8.380 nan 0.000 0.424 151 F N 1.813 121.823 119.950 0.099 0.000 2.171 151 F HA -0.083 4.444 4.527 0.001 0.000 0.300 151 F C 2.586 178.441 175.800 0.092 0.000 1.090 151 F CA 0.816 58.886 58.000 0.117 0.000 1.293 151 F CB -1.321 37.716 39.000 0.062 0.000 1.013 151 F HN 0.007 nan 8.300 nan 0.000 0.486 152 T N -1.124 113.579 114.554 0.248 0.000 2.777 152 T HA -0.135 4.215 4.350 0.001 0.000 0.266 152 T C 2.312 176.998 174.700 -0.024 0.000 1.040 152 T CA 1.529 63.706 62.100 0.129 0.000 1.141 152 T CB -0.425 68.521 68.868 0.129 0.000 0.868 152 T HN 0.151 nan 8.240 nan 0.000 0.444 153 S N 1.411 117.047 115.700 -0.107 0.000 2.370 153 S HA -0.088 4.383 4.470 0.001 0.000 0.226 153 S C 2.577 177.009 174.600 -0.280 0.000 1.033 153 S CA 1.032 59.013 58.200 -0.365 0.000 1.011 153 S CB -0.603 62.129 63.200 -0.780 0.000 0.852 153 S HN 0.598 nan 8.310 nan 0.000 0.457 154 A N 1.448 124.260 122.820 -0.013 0.000 1.865 154 A HA -0.139 4.181 4.320 0.001 0.000 0.217 154 A C 2.370 179.923 177.584 -0.053 0.000 1.191 154 A CA 2.156 54.248 52.037 0.090 0.000 0.623 154 A CB -1.121 18.088 19.000 0.349 0.000 0.826 154 A HN 0.467 nan 8.150 nan 0.000 0.444 155 S N 0.070 115.752 115.700 -0.029 0.000 2.359 155 S HA -0.131 4.340 4.470 0.001 0.000 0.224 155 S C 2.301 176.793 174.600 -0.181 0.000 1.035 155 S CA 1.577 59.721 58.200 -0.095 0.000 1.018 155 S CB -0.362 62.826 63.200 -0.020 0.000 0.876 155 S HN 0.639 nan 8.310 nan 0.000 0.448 156 S N 1.585 117.165 115.700 -0.200 0.000 2.368 156 S HA 0.097 4.567 4.470 0.001 0.000 0.224 156 S C 1.824 176.223 174.600 -0.335 0.000 1.029 156 S CA 0.775 58.811 58.200 -0.274 0.000 0.988 156 S CB -0.378 62.651 63.200 -0.285 0.000 0.838 156 S HN 0.335 nan 8.310 nan 0.000 0.462 157 L N 1.146 122.164 121.223 -0.341 0.000 2.093 157 L HA -0.104 4.237 4.340 0.001 0.000 0.208 157 L C 2.785 179.502 176.870 -0.254 0.000 1.085 157 L CA 1.081 55.745 54.840 -0.294 0.000 0.755 157 L CB -0.680 41.218 42.059 -0.267 0.000 0.904 157 L HN 0.320 nan 8.230 nan 0.000 0.435 158 A N 0.115 122.723 122.820 -0.354 0.000 1.908 158 A HA -0.252 4.068 4.320 0.001 0.000 0.218 158 A C 2.213 179.472 177.584 -0.542 0.000 1.181 158 A CA 1.759 53.431 52.037 -0.608 0.000 0.627 158 A CB -0.741 17.945 19.000 -0.523 0.000 0.818 158 A HN 0.333 nan 8.150 nan 0.000 0.445 159 L N -0.184 120.799 121.223 -0.400 0.000 2.043 159 L HA -0.129 4.212 4.340 0.001 0.000 0.212 159 L C 2.028 178.611 176.870 -0.477 0.000 1.075 159 L CA 1.795 56.374 54.840 -0.435 0.000 0.752 159 L CB -0.396 41.371 42.059 -0.486 0.000 0.891 159 L HN 0.414 nan 8.230 nan 0.000 0.432 160 L N -0.755 120.245 121.223 -0.372 0.000 2.610 160 L HA 0.165 4.506 4.340 0.001 0.000 0.232 160 L C 1.565 178.256 176.870 -0.298 0.000 1.149 160 L CA 0.611 55.319 54.840 -0.219 0.000 0.872 160 L CB -0.759 41.299 42.059 -0.002 0.000 0.992 160 L HN 0.610 nan 8.230 nan 0.000 0.447 161 G N -1.042 107.547 108.800 -0.352 0.000 2.159 161 G HA2 -0.309 3.651 3.960 0.001 0.000 0.227 161 G HA3 -0.309 3.651 3.960 0.001 0.000 0.227 161 G C -0.055 174.654 174.900 -0.319 0.000 0.986 161 G CA -0.436 44.481 45.100 -0.304 0.000 0.651 161 G HN 0.329 nan 8.290 nan 0.000 0.523 162 Y N 1.359 121.569 120.300 -0.150 0.000 2.812 162 Y HA 0.502 5.052 4.550 0.001 0.000 0.354 162 Y C 1.696 177.556 175.900 -0.067 0.000 1.276 162 Y CA -0.370 57.723 58.100 -0.011 0.000 1.639 162 Y CB -0.175 38.315 38.460 0.050 0.000 1.741 162 Y HN 0.342 nan 8.280 nan 0.000 0.479 163 H N -0.879 118.250 119.070 0.098 0.000 2.357 163 H HA -0.138 4.419 4.556 0.001 0.000 0.301 163 H C 1.371 176.781 175.328 0.137 0.000 1.082 163 H CA 2.022 58.077 56.048 0.011 0.000 1.342 163 H CB 0.294 30.048 29.762 -0.013 0.000 1.389 163 H HN 0.401 nan 8.280 nan 0.000 0.511 164 D N 0.173 120.794 120.400 0.367 0.000 2.144 164 D HA -0.096 4.544 4.640 0.001 0.000 0.200 164 D C 2.241 178.740 176.300 0.332 0.000 0.978 164 D CA 0.583 54.812 54.000 0.381 0.000 0.833 164 D CB -0.251 40.719 40.800 0.284 0.000 0.961 164 D HN 0.288 nan 8.370 nan 0.000 0.470 165 L N 0.619 122.023 121.223 0.301 0.000 2.042 165 L HA -0.103 4.237 4.340 0.001 0.000 0.210 165 L C 2.556 179.643 176.870 0.361 0.000 1.076 165 L CA 1.395 56.420 54.840 0.309 0.000 0.749 165 L CB -0.721 41.524 42.059 0.310 0.000 0.893 165 L HN 0.096 nan 8.230 nan 0.000 0.432 166 G N -1.054 107.891 108.800 0.242 0.000 2.440 166 G HA2 -0.302 3.658 3.960 0.001 0.000 0.218 166 G HA3 -0.302 3.658 3.960 0.001 0.000 0.218 166 G C 1.368 176.420 174.900 0.254 0.000 1.154 166 G CA 0.674 45.873 45.100 0.165 0.000 0.767 166 G HN 0.320 nan 8.290 nan 0.000 0.552 167 Y N 0.554 121.006 120.300 0.254 0.000 2.274 167 Y HA -0.043 4.507 4.550 0.001 0.000 0.290 167 Y C 2.797 178.882 175.900 0.309 0.000 1.145 167 Y CA 0.612 58.888 58.100 0.293 0.000 1.203 167 Y CB -0.082 38.504 38.460 0.210 0.000 0.984 167 Y HN 0.093 nan 8.280 nan 0.000 0.533 168 L N -1.803 119.635 121.223 0.358 0.000 2.017 168 L HA -0.231 4.109 4.340 0.001 0.000 0.208 168 L C 2.055 178.979 176.870 0.090 0.000 1.073 168 L CA 1.357 56.293 54.840 0.159 0.000 0.745 168 L CB -0.792 41.272 42.059 0.009 0.000 0.894 168 L HN 0.171 nan 8.230 nan 0.000 0.432 169 F N -0.594 119.466 119.950 0.183 0.000 2.171 169 F HA -0.259 4.269 4.527 0.001 0.000 0.300 169 F C 2.398 178.314 175.800 0.193 0.000 1.090 169 F CA 1.584 59.669 58.000 0.141 0.000 1.293 169 F CB -0.628 38.436 39.000 0.107 0.000 1.013 169 F HN -0.051 nan 8.300 nan 0.000 0.486 170 F N 0.858 121.025 119.950 0.361 0.000 2.095 170 F HA -0.084 4.443 4.527 0.001 0.000 0.298 170 F C 2.385 178.409 175.800 0.372 0.000 1.104 170 F CA 1.753 60.006 58.000 0.421 0.000 1.232 170 F CB -1.021 38.204 39.000 0.376 0.000 0.987 170 F HN -0.069 nan 8.300 nan 0.000 0.475 171 G N -0.403 108.554 108.800 0.262 0.000 2.422 171 G HA2 -0.195 3.766 3.960 0.001 0.000 0.218 171 G HA3 -0.195 3.766 3.960 0.001 0.000 0.218 171 G C 1.828 176.731 174.900 0.004 0.000 1.146 171 G CA 0.795 45.962 45.100 0.112 0.000 0.769 171 G HN 0.636 nan 8.290 nan 0.000 0.547 172 A N 0.970 123.790 122.820 0.001 0.000 1.883 172 A HA 0.108 4.429 4.320 0.001 0.000 0.217 172 A C 2.716 180.236 177.584 -0.107 0.000 1.186 172 A CA 2.232 54.243 52.037 -0.044 0.000 0.624 172 A CB -1.143 17.815 19.000 -0.070 0.000 0.822 172 A HN 0.529 nan 8.150 nan 0.000 0.444 173 G N -0.956 107.704 108.800 -0.234 0.000 2.402 173 G HA2 -0.219 3.741 3.960 0.001 0.000 0.216 173 G HA3 -0.219 3.741 3.960 0.001 0.000 0.216 173 G C 1.682 176.333 174.900 -0.415 0.000 1.162 173 G CA 1.214 45.948 45.100 -0.611 0.000 0.777 173 G HN 0.496 nan 8.290 nan 0.000 0.539 174 M N -0.058 119.453 119.600 -0.147 0.000 2.099 174 M HA 0.072 4.552 4.480 0.001 0.000 0.262 174 M C 2.465 178.843 176.300 0.129 0.000 1.067 174 M CA 1.411 56.816 55.300 0.175 0.000 1.124 174 M CB -0.163 32.400 32.600 -0.061 0.000 1.353 174 M HN 0.227 nan 8.290 nan 0.000 0.410 175 I N 0.257 120.844 120.570 0.029 0.000 2.315 175 I HA -0.194 3.977 4.170 0.001 0.000 0.248 175 I C 2.622 178.780 176.117 0.068 0.000 1.117 175 I CA 0.981 62.294 61.300 0.023 0.000 1.404 175 I CB -0.683 37.325 38.000 0.013 0.000 1.071 175 I HN 0.364 nan 8.210 nan 0.000 0.419 176 A N 0.633 123.503 122.820 0.084 0.000 1.940 176 A HA -0.268 4.052 4.320 0.001 0.000 0.219 176 A C 2.098 179.866 177.584 0.306 0.000 1.176 176 A CA 1.625 53.757 52.037 0.158 0.000 0.631 176 A CB -1.069 17.986 19.000 0.092 0.000 0.814 176 A HN 0.690 nan 8.150 nan 0.000 0.446 177 W N 1.788 123.149 121.300 0.103 0.000 2.354 177 W HA -0.213 4.448 4.660 0.001 0.000 0.315 177 W C 1.913 178.567 176.519 0.225 0.000 1.206 177 W CA 1.937 59.414 57.345 0.219 0.000 1.290 177 W CB -0.787 28.751 29.460 0.130 0.000 1.152 177 W HN 0.483 nan 8.180 nan 0.000 0.489 178 I N -1.283 119.163 120.570 -0.208 0.000 2.830 178 I HA -0.119 4.052 4.170 0.001 0.000 0.263 178 I C 2.103 178.144 176.117 -0.126 0.000 1.230 178 I CA 1.399 62.445 61.300 -0.423 0.000 1.480 178 I CB -0.774 36.916 38.000 -0.517 0.000 1.095 178 I HN 0.009 nan 8.210 nan 0.000 0.455 179 I N 0.274 120.862 120.570 0.030 0.000 2.353 179 I HA -0.202 3.968 4.170 0.001 0.000 0.248 179 I C 2.278 178.488 176.117 0.156 0.000 1.119 179 I CA 1.434 62.781 61.300 0.079 0.000 1.417 179 I CB -0.168 37.882 38.000 0.083 0.000 1.078 179 I HN 0.280 nan 8.210 nan 0.000 0.421 180 F N 1.089 121.113 119.950 0.124 0.000 2.220 180 F HA -0.038 4.489 4.527 0.001 0.000 0.290 180 F C 2.414 178.290 175.800 0.126 0.000 1.080 180 F CA 1.212 59.287 58.000 0.125 0.000 1.318 180 F CB -0.239 38.917 39.000 0.260 0.000 1.063 180 F HN -0.037 nan 8.300 nan 0.000 0.498 181 E N 0.420 120.734 120.200 0.190 0.000 2.130 181 E HA -0.209 4.142 4.350 0.001 0.000 0.196 181 E C -0.721 175.843 176.600 -0.060 0.000 0.998 181 E CA 1.599 58.078 56.400 0.132 0.000 0.806 181 E CB -0.955 28.984 29.700 0.398 0.000 0.738 181 E HN 0.268 nan 8.360 nan 0.000 0.459 182 P HA -0.191 nan 4.420 nan 0.000 0.216 182 P C 1.614 178.847 177.300 -0.113 0.000 1.153 182 P CA 2.010 65.064 63.100 -0.077 0.000 0.858 182 P CB -0.164 31.489 31.700 -0.079 0.000 0.789 183 V N -3.114 116.674 119.914 -0.209 0.000 2.719 183 V HA -0.109 4.011 4.120 0.001 0.000 0.252 183 V C 2.142 178.089 176.094 -0.245 0.000 1.065 183 V CA 1.087 63.263 62.300 -0.206 0.000 1.086 183 V CB -1.729 29.973 31.823 -0.202 0.000 0.700 183 V HN -0.049 nan 8.190 nan 0.000 0.467 184 L N 0.349 121.294 121.223 -0.464 0.000 1.994 184 L HA -0.035 4.306 4.340 0.001 0.000 0.208 184 L C 2.351 179.210 176.870 -0.019 0.000 1.071 184 L CA 2.130 56.791 54.840 -0.299 0.000 0.745 184 L CB -0.607 41.199 42.059 -0.422 0.000 0.892 184 L HN 0.299 nan 8.230 nan 0.000 0.431 185 L N -1.002 120.225 121.223 0.007 0.000 2.141 185 L HA -0.176 4.165 4.340 0.001 0.000 0.209 185 L C 2.604 179.499 176.870 0.041 0.000 1.094 185 L CA 1.227 56.108 54.840 0.069 0.000 0.763 185 L CB -0.638 41.488 42.059 0.112 0.000 0.908 185 L HN 0.398 nan 8.230 nan 0.000 0.437 186 Q N -0.011 119.803 119.800 0.023 0.000 2.084 186 Q HA -0.270 4.071 4.340 0.001 0.000 0.202 186 Q C 2.157 178.184 176.000 0.046 0.000 0.978 186 Q CA 1.889 57.705 55.803 0.022 0.000 0.844 186 Q CB -0.220 28.524 28.738 0.010 0.000 0.898 186 Q HN 0.489 nan 8.270 nan 0.000 0.426 187 H N -0.419 118.637 119.070 -0.024 0.000 2.321 187 H HA -0.066 4.490 4.556 0.001 0.000 0.300 187 H C 1.633 176.973 175.328 0.021 0.000 1.087 187 H CA 2.064 58.112 56.048 -0.000 0.000 1.319 187 H CB -0.222 29.540 29.762 0.000 0.000 1.379 187 H HN 0.312 nan 8.280 nan 0.000 0.501 188 L N -0.235 120.968 121.223 -0.033 0.000 2.083 188 L HA -0.151 4.190 4.340 0.001 0.000 0.209 188 L C 2.759 179.569 176.870 -0.100 0.000 1.083 188 L CA 1.351 56.151 54.840 -0.067 0.000 0.752 188 L CB -0.385 41.702 42.059 0.047 0.000 0.899 188 L HN 0.276 nan 8.230 nan 0.000 0.433 189 R N 0.039 120.496 120.500 -0.072 0.000 2.081 189 R HA -0.129 4.211 4.340 0.001 0.000 0.235 189 R C 2.225 178.472 176.300 -0.089 0.000 1.131 189 R CA 1.413 57.464 56.100 -0.083 0.000 0.960 189 R CB -0.266 30.003 30.300 -0.052 0.000 0.856 189 R HN 0.373 nan 8.270 nan 0.000 0.436 190 I N -0.885 119.630 120.570 -0.093 0.000 2.339 190 I HA -0.127 4.044 4.170 0.001 0.000 0.245 190 I C 1.668 177.725 176.117 -0.100 0.000 1.096 190 I CA 1.104 62.358 61.300 -0.076 0.000 1.408 190 I CB 0.169 38.145 38.000 -0.040 0.000 1.092 190 I HN 0.021 nan 8.210 nan 0.000 0.423 191 S N -1.672 113.907 115.700 -0.202 0.000 2.741 191 S HA 0.193 4.663 4.470 0.001 0.000 0.245 191 S C 0.675 175.191 174.600 -0.140 0.000 1.083 191 S CA 0.155 58.245 58.200 -0.184 0.000 0.873 191 S CB 0.699 63.735 63.200 -0.275 0.000 0.814 191 S HN 0.353 nan 8.310 nan 0.000 0.476 192 S N -0.184 115.379 115.700 -0.228 0.000 3.521 192 S HA -0.187 4.284 4.470 0.001 0.000 0.631 192 S C -1.136 173.506 174.600 0.069 0.000 2.557 192 S CA 0.850 59.039 58.200 -0.018 0.000 3.244 192 S CB -1.177 62.115 63.200 0.154 0.000 0.300 192 S HN 0.415 nan 8.310 nan 0.000 1.439 193 L N 1.142 122.507 121.223 0.236 0.000 2.408 193 L HA 0.523 4.863 4.340 0.001 0.000 0.268 193 L C -0.085 176.885 176.870 0.167 0.000 0.986 193 L CA -0.765 54.192 54.840 0.195 0.000 0.820 193 L CB 1.829 43.968 42.059 0.133 0.000 1.303 193 L HN 0.643 nan 8.230 nan 0.000 0.411 194 E N 2.706 123.034 120.200 0.213 0.000 2.418 194 E HA -0.002 4.349 4.350 0.001 0.000 0.261 194 E C -1.676 174.883 176.600 -0.069 0.000 1.070 194 E CA -1.258 55.195 56.400 0.089 0.000 0.931 194 E CB 0.523 30.297 29.700 0.124 0.000 0.954 194 E HN 0.343 nan 8.360 nan 0.000 0.439 195 P HA -0.286 nan 4.420 nan 0.000 0.217 195 P C 1.235 178.389 177.300 -0.243 0.000 1.151 195 P CA 1.386 64.339 63.100 -0.245 0.000 0.849 195 P CB 0.079 31.655 31.700 -0.208 0.000 0.787 196 Q N -1.360 118.243 119.800 -0.328 0.000 2.364 196 Q HA -0.116 4.224 4.340 0.001 0.000 0.209 196 Q C 1.077 176.818 176.000 -0.431 0.000 0.977 196 Q CA 1.585 57.133 55.803 -0.426 0.000 0.885 196 Q CB -0.994 27.395 28.738 -0.583 0.000 0.941 196 Q HN 0.293 nan 8.270 nan 0.000 0.464 197 F N 0.416 120.349 119.950 -0.028 0.000 2.721 197 F HA 0.365 4.892 4.527 0.001 0.000 0.301 197 F C 2.109 177.880 175.800 -0.049 0.000 1.096 197 F CA -0.540 57.456 58.000 -0.007 0.000 1.308 197 F CB 0.159 39.136 39.000 -0.039 0.000 1.086 197 F HN -0.062 nan 8.300 nan 0.000 0.587 198 R N 0.435 120.933 120.500 -0.003 0.000 2.148 198 R HA -0.059 4.281 4.340 0.001 0.000 0.227 198 R C 2.358 178.653 176.300 -0.008 0.000 1.103 198 R CA 0.993 57.032 56.100 -0.101 0.000 0.983 198 R CB -0.456 29.598 30.300 -0.411 0.000 0.874 198 R HN 0.251 nan 8.270 nan 0.000 0.451 199 A N 0.891 123.728 122.820 0.029 0.000 2.024 199 A HA -0.186 4.134 4.320 0.001 0.000 0.220 199 A C 2.150 179.803 177.584 0.114 0.000 1.164 199 A CA 2.017 54.121 52.037 0.110 0.000 0.643 199 A CB -0.848 18.229 19.000 0.127 0.000 0.806 199 A HN 0.500 nan 8.150 nan 0.000 0.451 200 T N -3.166 111.475 114.554 0.145 0.000 3.051 200 T HA -0.075 4.275 4.350 0.001 0.000 0.269 200 T C 1.637 176.395 174.700 0.096 0.000 1.127 200 T CA 1.192 63.394 62.100 0.170 0.000 1.107 200 T CB -0.437 68.598 68.868 0.279 0.000 0.898 200 T HN 0.248 nan 8.240 nan 0.000 0.517 201 M N 1.494 121.139 119.600 0.074 0.000 2.346 201 M HA 0.045 4.526 4.480 0.001 0.000 0.263 201 M C 2.574 178.774 176.300 -0.167 0.000 1.064 201 M CA 1.275 56.623 55.300 0.079 0.000 1.083 201 M CB -1.690 31.036 32.600 0.209 0.000 1.399 201 M HN 0.573 nan 8.290 nan 0.000 0.435 202 G N 0.229 108.662 108.800 -0.611 0.000 2.470 202 G HA2 -0.154 3.807 3.960 0.001 0.000 0.220 202 G HA3 -0.154 3.807 3.960 0.001 0.000 0.220 202 G C 1.572 176.221 174.900 -0.419 0.000 1.121 202 G CA 0.360 44.632 45.100 -1.380 0.000 0.766 202 G HN 0.513 nan 8.290 nan 0.000 0.553 203 I N 0.616 121.135 120.570 -0.084 0.000 2.614 203 I HA -0.105 4.065 4.170 0.001 0.000 0.258 203 I C 2.434 178.609 176.117 0.097 0.000 1.189 203 I CA 0.166 61.522 61.300 0.093 0.000 1.462 203 I CB -0.116 38.026 38.000 0.237 0.000 1.092 203 I HN -0.013 nan 8.210 nan 0.000 0.442 204 V N 0.975 120.972 119.914 0.138 0.000 2.720 204 V HA -0.240 3.881 4.120 0.001 0.000 0.256 204 V C 2.349 178.468 176.094 0.042 0.000 1.082 204 V CA 1.293 63.700 62.300 0.178 0.000 1.101 204 V CB -0.491 31.487 31.823 0.260 0.000 0.693 204 V HN 0.387 nan 8.190 nan 0.000 0.479 205 L N 0.721 121.965 121.223 0.036 0.000 2.201 205 L HA 0.007 4.347 4.340 0.001 0.000 0.212 205 L C 2.390 179.272 176.870 0.021 0.000 1.105 205 L CA 1.998 56.890 54.840 0.086 0.000 0.775 205 L CB -0.718 41.461 42.059 0.200 0.000 0.913 205 L HN 0.214 nan 8.230 nan 0.000 0.440 206 A N -0.030 122.728 122.820 -0.104 0.000 1.873 206 A HA -0.015 4.305 4.320 0.001 0.000 0.215 206 A C 0.036 177.370 177.584 -0.415 0.000 1.186 206 A CA 1.382 53.279 52.037 -0.233 0.000 0.616 206 A CB -1.866 16.921 19.000 -0.354 0.000 0.823 206 A HN 0.384 nan 8.150 nan 0.000 0.442 207 P HA -0.212 nan 4.420 nan 0.000 0.215 207 P C 1.799 178.459 177.300 -1.066 0.000 1.163 207 P CA 2.338 64.814 63.100 -1.039 0.000 0.894 207 P CB -0.149 30.482 31.700 -1.781 0.000 0.791 208 A N -1.875 120.398 122.820 -0.911 0.000 1.933 208 A HA -0.171 4.149 4.320 0.001 0.000 0.218 208 A C 1.959 179.246 177.584 -0.496 0.000 1.175 208 A CA 1.490 53.126 52.037 -0.669 0.000 0.628 208 A CB -1.699 17.067 19.000 -0.389 0.000 0.814 208 A HN 0.069 nan 8.150 nan 0.000 0.444 209 F N -0.289 119.505 119.950 -0.261 0.000 2.163 209 F HA -0.067 4.461 4.527 0.002 0.000 0.297 209 F C 2.444 178.142 175.800 -0.170 0.000 1.094 209 F CA 1.140 59.054 58.000 -0.143 0.000 1.290 209 F CB -0.788 38.131 39.000 -0.135 0.000 1.017 209 F HN 0.007 nan 8.300 nan 0.000 0.483 210 V N -1.136 118.691 119.914 -0.145 0.000 2.343 210 V HA -0.326 3.794 4.120 0.001 0.000 0.247 210 V C 2.589 178.397 176.094 -0.477 0.000 1.051 210 V CA 1.704 63.864 62.300 -0.234 0.000 1.036 210 V CB -1.012 30.599 31.823 -0.354 0.000 0.654 210 V HN 0.635 nan 8.190 nan 0.000 0.451 211 C N -0.534 118.270 119.300 -0.826 0.000 2.413 211 C HA -0.143 4.317 4.460 0.001 0.000 0.278 211 C C 2.820 177.660 174.990 -0.250 0.000 1.224 211 C CA 1.642 59.987 59.018 -1.120 0.000 1.732 211 C CB -0.771 26.526 27.740 -0.738 0.000 2.050 211 C HN 0.401 nan 8.230 nan 0.000 0.463 212 V N 0.405 120.280 119.914 -0.064 0.000 2.427 212 V HA -0.117 4.004 4.120 0.001 0.000 0.248 212 V C 2.747 178.915 176.094 0.124 0.000 1.051 212 V CA 2.655 65.033 62.300 0.131 0.000 1.048 212 V CB -0.667 31.282 31.823 0.209 0.000 0.666 212 V HN 0.768 nan 8.190 nan 0.000 0.456 213 S N -0.299 115.453 115.700 0.087 0.000 2.359 213 S HA -0.181 4.289 4.470 0.001 0.000 0.224 213 S C 2.146 176.755 174.600 0.016 0.000 1.035 213 S CA 1.908 60.157 58.200 0.082 0.000 1.018 213 S CB -0.474 62.794 63.200 0.115 0.000 0.876 213 S HN 0.810 nan 8.310 nan 0.000 0.448 214 A N 0.127 122.948 122.820 0.002 0.000 1.902 214 A HA -0.048 4.272 4.320 0.001 0.000 0.217 214 A C 2.042 179.569 177.584 -0.094 0.000 1.181 214 A CA 1.728 53.778 52.037 0.020 0.000 0.623 214 A CB -1.277 17.823 19.000 0.166 0.000 0.818 214 A HN 0.741 nan 8.150 nan 0.000 0.443 215 Y N 0.622 120.761 120.300 -0.269 0.000 2.128 215 Y HA -0.199 4.351 4.550 0.001 0.000 0.284 215 Y C 1.924 177.617 175.900 -0.345 0.000 1.154 215 Y CA 1.957 59.729 58.100 -0.547 0.000 1.149 215 Y CB -0.424 37.796 38.460 -0.400 0.000 0.976 215 Y HN 0.217 nan 8.280 nan 0.000 0.505 216 L N -0.929 120.125 121.223 -0.283 0.000 2.201 216 L HA -0.183 4.157 4.340 0.001 0.000 0.212 216 L C 2.772 179.437 176.870 -0.343 0.000 1.105 216 L CA 1.287 55.925 54.840 -0.338 0.000 0.775 216 L CB -0.710 41.244 42.059 -0.174 0.000 0.913 216 L HN 0.236 nan 8.230 nan 0.000 0.440 217 S N 1.100 116.624 115.700 -0.293 0.000 2.343 217 S HA -0.195 4.276 4.470 0.001 0.000 0.219 217 S C 1.998 176.365 174.600 -0.388 0.000 1.033 217 S CA 1.646 59.670 58.200 -0.293 0.000 1.014 217 S CB -0.269 62.803 63.200 -0.213 0.000 0.915 217 S HN 0.514 nan 8.310 nan 0.000 0.435 218 I N 0.909 121.191 120.570 -0.481 0.000 2.700 218 I HA -0.044 4.126 4.170 0.001 0.000 0.261 218 I C 1.157 176.902 176.117 -0.620 0.000 1.219 218 I CA 1.670 62.608 61.300 -0.603 0.000 1.463 218 I CB -0.564 36.870 38.000 -0.944 0.000 1.092 218 I HN 0.373 nan 8.210 nan 0.000 0.452 219 N N 0.399 118.728 118.700 -0.619 0.000 2.234 219 N HA -0.075 4.666 4.740 0.001 0.000 0.227 219 N C 0.187 175.529 175.510 -0.281 0.000 1.151 219 N CA -0.327 52.452 53.050 -0.452 0.000 0.865 219 N CB -0.510 37.602 38.487 -0.625 0.000 1.066 219 N HN 0.506 nan 8.380 nan 0.000 0.515 220 H N -0.453 118.487 119.070 -0.216 0.000 2.936 220 H HA -0.124 4.432 4.556 0.001 0.000 0.276 220 H C 1.085 176.299 175.328 -0.190 0.000 1.216 220 H CA 0.962 56.906 56.048 -0.174 0.000 1.132 220 H CB -1.737 27.933 29.762 -0.153 0.000 1.303 220 H HN 0.634 nan 8.280 nan 0.000 0.370 221 G N 0.650 109.338 108.800 -0.186 0.000 2.160 221 G HA2 -0.335 3.625 3.960 0.001 0.000 0.251 221 G HA3 -0.335 3.625 3.960 0.001 0.000 0.251 221 G C 0.013 174.811 174.900 -0.171 0.000 1.008 221 G CA 0.638 45.622 45.100 -0.193 0.000 0.724 221 G HN 0.723 nan 8.290 nan 0.000 0.514 222 E N 0.438 120.531 120.200 -0.179 0.000 2.129 222 E HA 0.393 4.744 4.350 0.001 0.000 0.283 222 E C 0.332 176.816 176.600 -0.193 0.000 1.080 222 E CA -0.603 55.708 56.400 -0.150 0.000 0.867 222 E CB 0.633 30.271 29.700 -0.104 0.000 1.056 222 E HN 0.113 nan 8.360 nan 0.000 0.404 223 V N 6.908 126.675 119.914 -0.245 0.000 2.313 223 V HA 0.050 4.170 4.120 0.001 0.000 0.252 223 V C 0.183 176.147 176.094 -0.216 0.000 1.112 223 V CA -0.228 61.844 62.300 -0.381 0.000 0.984 223 V CB -0.121 31.298 31.823 -0.673 0.000 1.157 223 V HN 0.678 nan 8.190 nan 0.000 0.493 224 D N 2.513 122.861 120.400 -0.085 0.000 2.627 224 D HA 0.253 4.893 4.640 0.001 0.000 0.259 224 D C 1.181 177.499 176.300 0.030 0.000 1.164 224 D CA -0.490 53.510 54.000 -0.001 0.000 1.087 224 D CB 0.660 41.500 40.800 0.067 0.000 1.217 224 D HN 0.109 nan 8.370 nan 0.000 0.630 225 T N -0.327 114.255 114.554 0.046 0.000 2.708 225 T HA -0.128 4.223 4.350 0.001 0.000 0.266 225 T C 1.693 176.428 174.700 0.058 0.000 1.037 225 T CA 1.320 63.452 62.100 0.053 0.000 1.146 225 T CB -0.376 68.517 68.868 0.041 0.000 0.865 225 T HN 0.322 nan 8.240 nan 0.000 0.435 226 L N 1.565 122.806 121.223 0.029 0.000 2.012 226 L HA -0.018 4.322 4.340 0.001 0.000 0.210 226 L C 2.597 179.472 176.870 0.009 0.000 1.073 226 L CA 2.057 56.873 54.840 -0.040 0.000 0.748 226 L CB -1.130 40.789 42.059 -0.233 0.000 0.891 226 L HN 0.230 nan 8.230 nan 0.000 0.431 227 A N -0.623 122.244 122.820 0.080 0.000 1.908 227 A HA -0.253 4.068 4.320 0.001 0.000 0.218 227 A C 2.327 180.091 177.584 0.301 0.000 1.181 227 A CA 2.117 54.252 52.037 0.163 0.000 0.627 227 A CB -0.540 18.490 19.000 0.049 0.000 0.818 227 A HN 0.544 nan 8.150 nan 0.000 0.445 228 K N -0.519 120.043 120.400 0.269 0.000 2.097 228 K HA -0.000 4.320 4.320 0.001 0.000 0.205 228 K C 1.794 178.583 176.600 0.315 0.000 1.050 228 K CA 1.354 57.875 56.287 0.390 0.000 0.938 228 K CB -0.341 32.327 32.500 0.279 0.000 0.718 228 K HN 0.517 nan 8.250 nan 0.000 0.442 229 I N 1.199 121.890 120.570 0.202 0.000 2.163 229 I HA -0.319 3.851 4.170 0.001 0.000 0.243 229 I C 2.160 178.383 176.117 0.177 0.000 1.085 229 I CA 1.347 62.740 61.300 0.156 0.000 1.347 229 I CB -0.226 37.825 38.000 0.086 0.000 1.044 229 I HN 0.133 nan 8.210 nan 0.000 0.408 230 L N -1.155 120.178 121.223 0.184 0.000 2.046 230 L HA -0.226 4.115 4.340 0.001 0.000 0.208 230 L C 2.427 179.379 176.870 0.136 0.000 1.077 230 L CA 1.284 56.229 54.840 0.176 0.000 0.747 230 L CB -0.650 41.503 42.059 0.157 0.000 0.896 230 L HN 0.360 nan 8.230 nan 0.000 0.432 231 W N 0.845 122.121 121.300 -0.040 0.000 2.338 231 W HA -0.099 4.561 4.660 0.000 0.000 0.304 231 W C 2.454 178.885 176.519 -0.147 0.000 1.212 231 W CA 1.400 58.624 57.345 -0.202 0.000 1.264 231 W CB -1.022 28.372 29.460 -0.109 0.000 1.142 231 W HN 0.122 nan 8.180 nan 0.000 0.512 232 G N -1.536 107.400 108.800 0.228 0.000 2.421 232 G HA2 -0.359 3.601 3.960 0.001 0.000 0.216 232 G HA3 -0.359 3.601 3.960 0.001 0.000 0.216 232 G C 1.404 176.320 174.900 0.027 0.000 1.171 232 G CA 1.139 46.338 45.100 0.165 0.000 0.775 232 G HN 0.311 nan 8.290 nan 0.000 0.543 233 Y N 2.036 122.284 120.300 -0.087 0.000 2.242 233 Y HA 0.008 4.559 4.550 0.001 0.000 0.291 233 Y C 2.764 178.480 175.900 -0.307 0.000 1.137 233 Y CA 1.295 59.312 58.100 -0.138 0.000 1.181 233 Y CB -0.437 38.009 38.460 -0.022 0.000 0.989 233 Y HN 0.137 nan 8.280 nan 0.000 0.527 234 G N -0.586 107.920 108.800 -0.490 0.000 2.440 234 G HA2 -0.293 3.667 3.960 0.001 0.000 0.218 234 G HA3 -0.293 3.667 3.960 0.001 0.000 0.218 234 G C 1.436 175.867 174.900 -0.783 0.000 1.154 234 G CA 1.089 45.535 45.100 -1.090 0.000 0.767 234 G HN 0.399 nan 8.290 nan 0.000 0.552 235 F N 0.130 119.771 119.950 -0.516 0.000 2.186 235 F HA 0.109 4.636 4.527 0.000 0.000 0.299 235 F C 2.406 177.597 175.800 -1.015 0.000 1.090 235 F CA 0.467 58.057 58.000 -0.684 0.000 1.307 235 F CB -0.770 37.810 39.000 -0.700 0.000 1.019 235 F HN 0.101 nan 8.300 nan 0.000 0.489 236 L N 0.135 120.993 121.223 -0.607 0.000 2.013 236 L HA -0.249 4.091 4.340 0.001 0.000 0.212 236 L C 2.422 178.763 176.870 -0.881 0.000 1.073 236 L CA 1.878 56.281 54.840 -0.729 0.000 0.753 236 L CB -0.771 40.863 42.059 -0.708 0.000 0.890 236 L HN 0.079 nan 8.230 nan 0.000 0.432 237 Q N -0.822 118.532 119.800 -0.743 0.000 2.124 237 Q HA -0.187 4.153 4.340 0.001 0.000 0.202 237 Q C 2.271 178.203 176.000 -0.113 0.000 0.977 237 Q CA 1.660 57.207 55.803 -0.427 0.000 0.850 237 Q CB -0.746 27.790 28.738 -0.338 0.000 0.901 237 Q HN 0.504 nan 8.270 nan 0.000 0.429 238 L N 0.274 121.416 121.223 -0.135 0.000 1.989 238 L HA -0.165 4.175 4.340 0.001 0.000 0.211 238 L C 2.045 179.027 176.870 0.186 0.000 1.071 238 L CA 1.732 56.603 54.840 0.052 0.000 0.749 238 L CB -0.745 41.315 42.059 0.002 0.000 0.890 238 L HN -0.005 nan 8.230 nan 0.000 0.431 239 F N -0.823 119.170 119.950 0.072 0.000 2.134 239 F HA -0.198 4.329 4.527 0.000 0.000 0.299 239 F C 2.388 178.359 175.800 0.285 0.000 1.097 239 F CA 0.796 58.867 58.000 0.119 0.000 1.264 239 F CB -1.545 37.495 39.000 0.066 0.000 1.001 239 F HN 0.051 nan 8.300 nan 0.000 0.479 240 F N 0.225 120.310 119.950 0.224 0.000 2.095 240 F HA -0.169 4.358 4.527 0.000 0.000 0.298 240 F C 2.417 178.338 175.800 0.201 0.000 1.104 240 F CA 0.833 58.929 58.000 0.159 0.000 1.232 240 F CB -1.550 37.505 39.000 0.091 0.000 0.987 240 F HN -0.044 nan 8.300 nan 0.000 0.475 241 L N -0.960 120.530 121.223 0.445 0.000 2.156 241 L HA -0.182 4.158 4.340 0.001 0.000 0.208 241 L C 2.427 179.573 176.870 0.459 0.000 1.095 241 L CA 0.605 55.723 54.840 0.464 0.000 0.770 241 L CB -0.627 41.749 42.059 0.528 0.000 0.914 241 L HN 0.107 nan 8.230 nan 0.000 0.439 242 L N -0.593 120.858 121.223 0.380 0.000 2.046 242 L HA -0.206 4.134 4.340 0.001 0.000 0.208 242 L C 2.899 179.943 176.870 0.289 0.000 1.077 242 L CA 1.050 56.070 54.840 0.300 0.000 0.747 242 L CB -0.555 41.655 42.059 0.253 0.000 0.896 242 L HN 0.265 nan 8.230 nan 0.000 0.432 243 R N 0.881 121.540 120.500 0.265 0.000 2.096 243 R HA -0.134 4.206 4.340 0.001 0.000 0.235 243 R C 2.033 178.461 176.300 0.214 0.000 1.127 243 R CA 1.462 57.679 56.100 0.196 0.000 0.968 243 R CB -0.413 29.973 30.300 0.143 0.000 0.861 243 R HN 0.378 nan 8.270 nan 0.000 0.440 244 L N 0.060 121.445 121.223 0.270 0.000 2.552 244 L HA -0.050 4.291 4.340 0.001 0.000 0.227 244 L C 2.033 179.152 176.870 0.414 0.000 1.146 244 L CA 0.058 55.084 54.840 0.310 0.000 0.858 244 L CB -0.364 41.889 42.059 0.322 0.000 0.969 244 L HN 0.076 nan 8.230 nan 0.000 0.451 245 F N 1.964 122.062 119.950 0.246 0.000 2.134 245 F HA -0.117 4.411 4.527 0.001 0.000 0.299 245 F C -0.433 175.470 175.800 0.173 0.000 1.097 245 F CA 1.447 59.568 58.000 0.202 0.000 1.264 245 F CB -1.095 37.964 39.000 0.099 0.000 1.001 245 F HN 0.079 nan 8.300 nan 0.000 0.479 246 P HA -0.220 nan 4.420 nan 0.000 0.215 246 P C 1.173 178.532 177.300 0.098 0.000 1.153 246 P CA 1.930 65.109 63.100 0.132 0.000 0.853 246 P CB -0.434 31.366 31.700 0.166 0.000 0.788 247 W N 0.437 121.728 121.300 -0.014 0.000 2.381 247 W HA -0.122 4.539 4.660 0.001 0.000 0.301 247 W C 1.922 178.407 176.519 -0.057 0.000 1.205 247 W CA 1.175 58.507 57.345 -0.021 0.000 1.285 247 W CB -0.840 28.627 29.460 0.010 0.000 1.133 247 W HN -0.217 nan 8.180 nan 0.000 0.521 248 I N 0.933 121.480 120.570 -0.039 0.000 2.194 248 I HA -0.278 3.893 4.170 0.001 0.000 0.246 248 I C 1.877 177.752 176.117 -0.403 0.000 1.093 248 I CA 1.829 62.947 61.300 -0.302 0.000 1.355 248 I CB -0.816 37.129 38.000 -0.092 0.000 1.046 248 I HN 0.034 nan 8.210 nan 0.000 0.413 249 V N -2.435 117.227 119.914 -0.421 0.000 3.249 249 V HA 0.151 4.272 4.120 0.001 0.000 0.338 249 V C 1.638 177.608 176.094 -0.207 0.000 1.363 249 V CA -0.013 62.084 62.300 -0.338 0.000 1.205 249 V CB -0.225 31.352 31.823 -0.411 0.000 1.164 249 V HN 0.383 nan 8.190 nan 0.000 0.458 250 E N 1.403 121.476 120.200 -0.212 0.000 2.114 250 E HA -0.260 4.090 4.350 0.001 0.000 0.199 250 E C 1.317 177.850 176.600 -0.112 0.000 1.008 250 E CA 1.648 57.965 56.400 -0.137 0.000 0.810 250 E CB 0.153 29.750 29.700 -0.172 0.000 0.739 250 E HN 0.540 nan 8.360 nan 0.000 0.456 251 K N -0.082 120.235 120.400 -0.138 0.000 2.410 251 K HA 0.223 4.543 4.320 0.001 0.000 0.200 251 K C 0.157 176.710 176.600 -0.078 0.000 1.023 251 K CA 0.681 56.908 56.287 -0.100 0.000 1.149 251 K CB 0.964 33.395 32.500 -0.114 0.000 0.859 251 K HN 0.296 nan 8.250 nan 0.000 0.514 252 G N 0.745 109.497 108.800 -0.080 0.000 2.484 252 G HA2 -0.126 3.835 3.960 0.001 0.000 0.685 252 G HA3 -0.126 3.835 3.960 0.001 0.000 0.685 252 G C -0.985 173.883 174.900 -0.052 0.000 1.294 252 G CA -1.140 43.930 45.100 -0.051 0.000 0.879 252 G HN 0.062 nan 8.290 nan 0.000 0.646 253 L N 1.347 122.558 121.223 -0.020 0.000 2.456 253 L HA 0.482 4.823 4.340 0.001 0.000 0.272 253 L C 0.710 177.592 176.870 0.019 0.000 1.189 253 L CA -0.114 54.728 54.840 0.003 0.000 0.846 253 L CB 0.671 42.748 42.059 0.029 0.000 1.111 253 L HN 0.969 nan 8.230 nan 0.000 0.475 254 N N 1.104 119.823 118.700 0.032 0.000 2.708 254 N HA 0.197 4.937 4.740 0.001 0.000 0.257 254 N C 0.044 175.601 175.510 0.080 0.000 1.373 254 N CA -0.857 52.221 53.050 0.047 0.000 0.843 254 N CB 0.798 39.297 38.487 0.020 0.000 1.503 254 N HN 0.386 nan 8.380 nan 0.000 0.504 255 I N 0.426 121.047 120.570 0.085 0.000 2.567 255 I HA 0.073 4.244 4.170 0.001 0.000 0.257 255 I C 1.908 178.134 176.117 0.181 0.000 1.184 255 I CA 1.595 62.970 61.300 0.126 0.000 1.451 255 I CB -0.598 37.386 38.000 -0.026 0.000 1.089 255 I HN 0.870 nan 8.210 nan 0.000 0.441 256 G N 0.171 109.049 108.800 0.130 0.000 2.501 256 G HA2 -0.215 3.746 3.960 0.001 0.000 0.220 256 G HA3 -0.215 3.746 3.960 0.001 0.000 0.220 256 G C 1.583 176.628 174.900 0.241 0.000 1.114 256 G CA 0.584 45.784 45.100 0.167 0.000 0.757 256 G HN 0.466 nan 8.290 nan 0.000 0.559 257 L N -1.341 120.019 121.223 0.228 0.000 2.353 257 L HA -0.028 4.313 4.340 0.001 0.000 0.220 257 L C 2.392 179.436 176.870 0.290 0.000 1.133 257 L CA 0.249 55.271 54.840 0.303 0.000 0.798 257 L CB -0.305 41.871 42.059 0.195 0.000 0.922 257 L HN 0.314 nan 8.230 nan 0.000 0.445 258 W N 0.017 121.422 121.300 0.175 0.000 2.389 258 W HA -0.232 4.428 4.660 0.000 0.000 0.267 258 W C 2.556 179.200 176.519 0.208 0.000 1.219 258 W CA 0.973 58.412 57.345 0.158 0.000 1.189 258 W CB -0.278 29.225 29.460 0.071 0.000 1.129 258 W HN 0.168 nan 8.180 nan 0.000 0.581 259 A N -0.402 122.660 122.820 0.404 0.000 1.958 259 A HA -0.246 4.075 4.320 0.001 0.000 0.221 259 A C 1.625 179.350 177.584 0.234 0.000 1.178 259 A CA 1.583 53.796 52.037 0.293 0.000 0.642 259 A CB -1.199 17.912 19.000 0.185 0.000 0.816 259 A HN 0.332 nan 8.150 nan 0.000 0.453 260 F N 0.927 121.013 119.950 0.226 0.000 2.365 260 F HA -0.128 4.401 4.527 0.002 0.000 0.300 260 F C 2.806 178.707 175.800 0.169 0.000 1.090 260 F CA 1.336 59.445 58.000 0.182 0.000 1.408 260 F CB -0.163 38.914 39.000 0.128 0.000 1.060 260 F HN 0.371 nan 8.300 nan 0.000 0.534 261 S N -0.353 115.560 115.700 0.356 0.000 2.423 261 S HA -0.213 4.258 4.470 0.001 0.000 0.231 261 S C 2.065 176.870 174.600 0.342 0.000 1.014 261 S CA 0.620 58.991 58.200 0.286 0.000 0.965 261 S CB -0.970 62.456 63.200 0.376 0.000 0.785 261 S HN 0.297 nan 8.310 nan 0.000 0.495 262 F N 3.236 123.302 119.950 0.193 0.000 2.084 262 F HA 0.198 4.725 4.527 0.001 0.000 0.296 262 F C 2.501 178.370 175.800 0.114 0.000 1.111 262 F CA 0.746 58.835 58.000 0.149 0.000 1.224 262 F CB -1.333 37.753 39.000 0.144 0.000 0.991 262 F HN 0.308 nan 8.300 nan 0.000 0.471 263 G N 0.595 109.557 108.800 0.270 0.000 2.418 263 G HA2 -0.216 3.745 3.960 0.001 0.000 0.217 263 G HA3 -0.216 3.745 3.960 0.001 0.000 0.217 263 G C 1.952 176.886 174.900 0.058 0.000 1.158 263 G CA 0.957 46.139 45.100 0.136 0.000 0.771 263 G HN 0.411 nan 8.290 nan 0.000 0.545 264 L N 0.661 121.943 121.223 0.098 0.000 2.017 264 L HA -0.065 4.276 4.340 0.001 0.000 0.208 264 L C 3.408 180.258 176.870 -0.034 0.000 1.073 264 L CA 1.163 55.998 54.840 -0.009 0.000 0.745 264 L CB -0.398 41.671 42.059 0.016 0.000 0.894 264 L HN 0.299 nan 8.230 nan 0.000 0.432 265 A N -0.939 121.926 122.820 0.075 0.000 1.930 265 A HA -0.163 4.157 4.320 0.001 0.000 0.217 265 A C 2.467 180.115 177.584 0.106 0.000 1.175 265 A CA 1.972 54.062 52.037 0.089 0.000 0.627 265 A CB -0.489 18.611 19.000 0.166 0.000 0.815 265 A HN 0.385 nan 8.150 nan 0.000 0.443 266 S N -0.951 114.834 115.700 0.141 0.000 2.406 266 S HA -0.082 4.389 4.470 0.001 0.000 0.228 266 S C 1.939 176.591 174.600 0.086 0.000 1.020 266 S CA 1.296 59.589 58.200 0.154 0.000 0.965 266 S CB -0.303 62.998 63.200 0.167 0.000 0.798 266 S HN 0.658 nan 8.310 nan 0.000 0.488 267 M N 1.724 121.208 119.600 -0.194 0.000 2.117 267 M HA -0.123 4.357 4.480 0.001 0.000 0.262 267 M C 2.152 178.426 176.300 -0.044 0.000 1.065 267 M CA 1.612 56.627 55.300 -0.475 0.000 1.114 267 M CB -0.357 31.597 32.600 -1.077 0.000 1.361 267 M HN 0.360 nan 8.290 nan 0.000 0.408 268 A N 0.615 123.411 122.820 -0.040 0.000 1.902 268 A HA -0.220 4.100 4.320 0.001 0.000 0.217 268 A C 1.925 179.677 177.584 0.280 0.000 1.181 268 A CA 2.114 54.185 52.037 0.057 0.000 0.623 268 A CB -1.128 17.718 19.000 -0.256 0.000 0.818 268 A HN 0.660 nan 8.150 nan 0.000 0.443 269 N N 0.583 119.420 118.700 0.229 0.000 2.058 269 N HA -0.159 4.582 4.740 0.001 0.000 0.191 269 N C 2.081 177.765 175.510 0.290 0.000 1.037 269 N CA 2.349 55.571 53.050 0.287 0.000 0.848 269 N CB -0.386 38.260 38.487 0.264 0.000 1.021 269 N HN 0.523 nan 8.380 nan 0.000 0.422 270 S N 0.148 116.035 115.700 0.311 0.000 2.399 270 S HA -0.040 4.431 4.470 0.001 0.000 0.231 270 S C 2.200 177.050 174.600 0.416 0.000 1.022 270 S CA 1.262 59.673 58.200 0.350 0.000 0.983 270 S CB -0.669 62.806 63.200 0.459 0.000 0.803 270 S HN 0.425 nan 8.310 nan 0.000 0.480 271 A N 2.370 125.508 122.820 0.530 0.000 1.940 271 A HA -0.106 4.215 4.320 0.001 0.000 0.219 271 A C 2.602 180.413 177.584 0.377 0.000 1.176 271 A CA 2.450 54.833 52.037 0.577 0.000 0.631 271 A CB -1.882 17.457 19.000 0.565 0.000 0.814 271 A HN 0.839 nan 8.150 nan 0.000 0.446 272 T N -2.252 112.462 114.554 0.266 0.000 2.788 272 T HA 0.036 4.386 4.350 0.001 0.000 0.268 272 T C 1.880 176.688 174.700 0.180 0.000 1.044 272 T CA 1.803 63.987 62.100 0.140 0.000 1.139 272 T CB -0.534 68.391 68.868 0.093 0.000 0.867 272 T HN 0.587 nan 8.240 nan 0.000 0.454 273 A N 0.465 123.374 122.820 0.148 0.000 1.897 273 A HA 0.239 4.560 4.320 0.001 0.000 0.215 273 A C 2.003 179.605 177.584 0.029 0.000 1.181 273 A CA 0.850 52.912 52.037 0.041 0.000 0.620 273 A CB -1.024 17.940 19.000 -0.061 0.000 0.821 273 A HN 0.468 nan 8.150 nan 0.000 0.443 274 F N -1.562 118.328 119.950 -0.100 0.000 2.095 274 F HA -0.178 4.350 4.527 0.001 0.000 0.298 274 F C 2.216 178.021 175.800 0.008 0.000 1.104 274 F CA 1.844 59.753 58.000 -0.153 0.000 1.232 274 F CB -0.832 37.922 39.000 -0.409 0.000 0.987 274 F HN 0.407 nan 8.300 nan 0.000 0.475 275 Y N -0.364 120.043 120.300 0.178 0.000 2.145 275 Y HA -0.308 4.243 4.550 0.002 0.000 0.286 275 Y C 2.958 178.897 175.900 0.065 0.000 1.145 275 Y CA 2.219 60.384 58.100 0.109 0.000 1.148 275 Y CB -0.712 37.791 38.460 0.071 0.000 0.981 275 Y HN 0.107 nan 8.280 nan 0.000 0.507 276 H N -0.719 118.430 119.070 0.131 0.000 2.456 276 H HA -0.074 4.483 4.556 0.000 0.000 0.296 276 H C 1.894 177.179 175.328 -0.072 0.000 1.079 276 H CA 1.314 57.381 56.048 0.031 0.000 1.322 276 H CB -0.286 29.493 29.762 0.028 0.000 1.388 276 H HN 0.510 nan 8.280 nan 0.000 0.538 277 G N 0.075 108.860 108.800 -0.025 0.000 2.985 277 G HA2 -0.176 3.784 3.960 0.001 0.000 0.209 277 G HA3 -0.176 3.784 3.960 0.001 0.000 0.209 277 G C 0.435 175.246 174.900 -0.149 0.000 1.165 277 G CA 0.294 45.327 45.100 -0.113 0.000 0.776 277 G HN 0.467 nan 8.290 nan 0.000 0.541 278 N N -0.910 117.680 118.700 -0.183 0.000 2.725 278 N HA -0.186 4.555 4.740 0.001 0.000 0.251 278 N C -0.749 174.707 175.510 -0.091 0.000 1.031 278 N CA 0.621 53.558 53.050 -0.189 0.000 0.720 278 N CB -1.298 37.080 38.487 -0.181 0.000 0.930 278 N HN 0.102 nan 8.380 nan 0.000 0.543 279 V N 1.986 121.883 119.914 -0.027 0.000 2.444 279 V HA 0.419 4.540 4.120 0.001 0.000 0.294 279 V C 1.048 177.287 176.094 0.242 0.000 1.022 279 V CA -0.726 61.625 62.300 0.084 0.000 0.850 279 V CB 1.553 33.394 31.823 0.031 0.000 0.992 279 V HN 0.355 nan 8.190 nan 0.000 0.426 280 L N 4.546 125.899 121.223 0.216 0.000 3.762 280 L HA -0.280 4.061 4.340 0.001 0.000 0.460 280 L C 1.780 178.820 176.870 0.284 0.000 1.255 280 L CA 0.397 55.398 54.840 0.268 0.000 0.783 280 L CB -1.120 41.185 42.059 0.410 0.000 1.600 280 L HN 0.781 nan 8.230 nan 0.000 0.862 281 Q N 0.288 120.188 119.800 0.166 0.000 2.124 281 Q HA -0.158 4.183 4.340 0.001 0.000 0.202 281 Q C 2.151 178.323 176.000 0.286 0.000 0.977 281 Q CA 1.696 57.615 55.803 0.193 0.000 0.850 281 Q CB 0.001 28.699 28.738 -0.067 0.000 0.901 281 Q HN 0.842 nan 8.270 nan 0.000 0.429 282 G N 0.336 109.250 108.800 0.190 0.000 2.404 282 G HA2 -0.207 3.754 3.960 0.001 0.000 0.215 282 G HA3 -0.207 3.754 3.960 0.001 0.000 0.215 282 G C 1.522 176.534 174.900 0.186 0.000 1.174 282 G CA 0.782 45.981 45.100 0.164 0.000 0.780 282 G HN 0.203 nan 8.290 nan 0.000 0.537 283 V N 1.996 122.011 119.914 0.168 0.000 2.332 283 V HA -0.236 3.884 4.120 0.001 0.000 0.248 283 V C 3.305 179.585 176.094 0.310 0.000 1.055 283 V CA 2.456 64.836 62.300 0.133 0.000 1.038 283 V CB -0.676 31.170 31.823 0.038 0.000 0.651 283 V HN 0.633 nan 8.190 nan 0.000 0.450 284 S N 0.124 116.097 115.700 0.456 0.000 2.368 284 S HA -0.172 4.299 4.470 0.001 0.000 0.225 284 S C 1.959 176.778 174.600 0.364 0.000 1.030 284 S CA 1.740 60.269 58.200 0.548 0.000 0.999 284 S CB -0.679 62.889 63.200 0.614 0.000 0.844 284 S HN 0.531 nan 8.310 nan 0.000 0.459 285 I N 0.868 121.612 120.570 0.289 0.000 2.179 285 I HA -0.103 4.067 4.170 0.001 0.000 0.242 285 I C 2.408 178.647 176.117 0.203 0.000 1.088 285 I CA 1.842 63.245 61.300 0.173 0.000 1.357 285 I CB -0.539 37.539 38.000 0.131 0.000 1.051 285 I HN 0.347 nan 8.210 nan 0.000 0.409 286 F N 2.035 122.042 119.950 0.094 0.000 2.091 286 F HA -0.297 4.230 4.527 0.001 0.000 0.299 286 F C 2.446 178.304 175.800 0.096 0.000 1.103 286 F CA 1.655 59.693 58.000 0.062 0.000 1.228 286 F CB -0.508 38.478 39.000 -0.025 0.000 0.984 286 F HN 0.005 nan 8.300 nan 0.000 0.477 287 A N 0.074 122.868 122.820 -0.044 0.000 1.902 287 A HA -0.201 4.119 4.320 0.001 0.000 0.217 287 A C 2.203 179.726 177.584 -0.102 0.000 1.181 287 A CA 1.667 53.601 52.037 -0.172 0.000 0.623 287 A CB -1.690 17.375 19.000 0.108 0.000 0.818 287 A HN 0.582 nan 8.150 nan 0.000 0.443 288 F N 0.427 120.323 119.950 -0.091 0.000 2.134 288 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 288 F C 2.287 178.000 175.800 -0.146 0.000 1.097 288 F CA 1.916 59.842 58.000 -0.123 0.000 1.264 288 F CB -0.157 38.752 39.000 -0.152 0.000 1.001 288 F HN 0.036 nan 8.300 nan 0.000 0.479 289 V N -0.035 119.881 119.914 0.003 0.000 2.307 289 V HA -0.291 3.829 4.120 0.001 0.000 0.245 289 V C 2.174 178.168 176.094 -0.166 0.000 1.045 289 V CA 2.045 64.314 62.300 -0.051 0.000 1.024 289 V CB -0.996 30.839 31.823 0.019 0.000 0.651 289 V HN 0.448 nan 8.190 nan 0.000 0.449 290 F N 1.280 120.965 119.950 -0.441 0.000 2.065 290 F HA -0.256 4.272 4.527 0.002 0.000 0.298 290 F C 2.631 178.216 175.800 -0.359 0.000 1.112 290 F CA 2.198 59.912 58.000 -0.477 0.000 1.212 290 F CB -0.370 38.108 39.000 -0.871 0.000 0.975 290 F HN 0.076 nan 8.300 nan 0.000 0.476 291 S N 0.562 116.134 115.700 -0.215 0.000 2.370 291 S HA -0.222 4.249 4.470 0.001 0.000 0.226 291 S C 1.818 176.230 174.600 -0.313 0.000 1.033 291 S CA 1.417 59.458 58.200 -0.265 0.000 1.011 291 S CB -0.563 62.490 63.200 -0.246 0.000 0.852 291 S HN 0.500 nan 8.310 nan 0.000 0.457 292 N N 0.923 119.428 118.700 -0.325 0.000 2.120 292 N HA -0.065 4.676 4.740 0.001 0.000 0.188 292 N C 1.788 177.186 175.510 -0.187 0.000 1.024 292 N CA 1.117 54.043 53.050 -0.207 0.000 0.852 292 N CB -0.351 38.057 38.487 -0.131 0.000 1.003 292 N HN 0.201 nan 8.380 nan 0.000 0.424 293 V N 1.962 121.729 119.914 -0.245 0.000 2.343 293 V HA -0.224 3.897 4.120 0.001 0.000 0.247 293 V C 2.479 178.375 176.094 -0.331 0.000 1.051 293 V CA 1.283 63.431 62.300 -0.254 0.000 1.036 293 V CB -0.332 31.330 31.823 -0.268 0.000 0.654 293 V HN 0.269 nan 8.190 nan 0.000 0.451 294 M N -0.753 118.562 119.600 -0.474 0.000 2.099 294 M HA -0.077 4.404 4.480 0.001 0.000 0.262 294 M C 2.215 178.293 176.300 -0.371 0.000 1.067 294 M CA 1.873 56.880 55.300 -0.489 0.000 1.124 294 M CB -1.046 31.173 32.600 -0.635 0.000 1.353 294 M HN 0.270 nan 8.290 nan 0.000 0.410 295 I N -0.218 120.169 120.570 -0.305 0.000 2.286 295 I HA -0.189 3.981 4.170 0.001 0.000 0.248 295 I C 2.540 178.519 176.117 -0.230 0.000 1.115 295 I CA 1.220 62.355 61.300 -0.276 0.000 1.392 295 I CB -0.988 36.931 38.000 -0.135 0.000 1.065 295 I HN 0.334 nan 8.210 nan 0.000 0.418 296 G N 1.287 109.986 108.800 -0.169 0.000 2.440 296 G HA2 -0.202 3.758 3.960 0.001 0.000 0.218 296 G HA3 -0.202 3.758 3.960 0.001 0.000 0.218 296 G C 1.705 176.521 174.900 -0.140 0.000 1.154 296 G CA 0.556 45.586 45.100 -0.117 0.000 0.767 296 G HN 0.276 nan 8.290 nan 0.000 0.552 297 L N -0.115 120.990 121.223 -0.196 0.000 2.046 297 L HA -0.019 4.322 4.340 0.001 0.000 0.208 297 L C 2.915 179.662 176.870 -0.206 0.000 1.077 297 L CA 0.518 55.245 54.840 -0.189 0.000 0.747 297 L CB -0.422 41.502 42.059 -0.224 0.000 0.896 297 L HN 0.184 nan 8.230 nan 0.000 0.432 298 L N -0.968 120.051 121.223 -0.340 0.000 2.042 298 L HA -0.216 4.124 4.340 0.001 0.000 0.210 298 L C 2.525 179.265 176.870 -0.216 0.000 1.076 298 L CA 0.932 55.463 54.840 -0.516 0.000 0.749 298 L CB -0.552 40.764 42.059 -1.238 0.000 0.893 298 L HN 0.074 nan 8.230 nan 0.000 0.432 299 V N 0.009 119.872 119.914 -0.084 0.000 2.295 299 V HA -0.279 3.842 4.120 0.001 0.000 0.246 299 V C 2.371 178.523 176.094 0.096 0.000 1.049 299 V CA 1.631 64.021 62.300 0.150 0.000 1.024 299 V CB -0.350 31.547 31.823 0.124 0.000 0.648 299 V HN 0.336 nan 8.190 nan 0.000 0.447 300 L N -1.117 120.118 121.223 0.021 0.000 2.046 300 L HA -0.213 4.127 4.340 0.001 0.000 0.208 300 L C 2.536 179.447 176.870 0.069 0.000 1.077 300 L CA 1.731 56.587 54.840 0.027 0.000 0.747 300 L CB -0.482 41.565 42.059 -0.021 0.000 0.896 300 L HN 0.302 nan 8.230 nan 0.000 0.432 301 M N -1.118 118.511 119.600 0.049 0.000 2.279 301 M HA -0.156 4.325 4.480 0.001 0.000 0.264 301 M C 2.135 178.563 176.300 0.214 0.000 1.062 301 M CA 1.595 56.961 55.300 0.110 0.000 1.099 301 M CB -0.513 32.111 32.600 0.040 0.000 1.394 301 M HN 0.229 nan 8.290 nan 0.000 0.426 302 T N 0.754 115.445 114.554 0.227 0.000 2.896 302 T HA 0.033 4.384 4.350 0.001 0.000 0.263 302 T C 1.743 176.530 174.700 0.145 0.000 1.050 302 T CA 0.912 63.182 62.100 0.283 0.000 1.140 302 T CB -0.134 68.995 68.868 0.435 0.000 0.877 302 T HN 0.292 nan 8.240 nan 0.000 0.457 303 I N 0.246 120.882 120.570 0.110 0.000 2.226 303 I HA -0.187 3.983 4.170 0.001 0.000 0.245 303 I C 2.257 178.418 176.117 0.074 0.000 1.100 303 I CA 1.463 62.789 61.300 0.045 0.000 1.374 303 I CB -0.344 37.687 38.000 0.050 0.000 1.057 303 I HN 0.229 nan 8.210 nan 0.000 0.413 304 Y N 2.022 122.331 120.300 0.014 0.000 2.145 304 Y HA -0.276 4.275 4.550 0.000 0.000 0.286 304 Y C 2.469 178.385 175.900 0.027 0.000 1.145 304 Y CA 1.646 59.755 58.100 0.015 0.000 1.148 304 Y CB -0.127 38.342 38.460 0.015 0.000 0.981 304 Y HN -0.090 nan 8.280 nan 0.000 0.507 305 K N 0.574 120.976 120.400 0.004 0.000 2.063 305 K HA -0.160 4.160 4.320 0.001 0.000 0.208 305 K C 2.228 178.791 176.600 -0.062 0.000 1.048 305 K CA 1.600 57.860 56.287 -0.044 0.000 0.928 305 K CB -0.891 31.699 32.500 0.150 0.000 0.713 305 K HN 0.444 nan 8.250 nan 0.000 0.442 306 L N 0.865 122.056 121.223 -0.054 0.000 2.046 306 L HA -0.164 4.177 4.340 0.001 0.000 0.208 306 L C 2.388 179.192 176.870 -0.109 0.000 1.077 306 L CA 1.805 56.572 54.840 -0.122 0.000 0.747 306 L CB -0.810 41.103 42.059 -0.245 0.000 0.896 306 L HN 0.297 nan 8.230 nan 0.000 0.432 307 T N -3.989 110.487 114.554 -0.129 0.000 3.072 307 T HA -0.052 4.298 4.350 0.001 0.000 0.266 307 T C 1.588 176.191 174.700 -0.162 0.000 1.127 307 T CA 0.469 62.496 62.100 -0.121 0.000 1.107 307 T CB -0.015 68.801 68.868 -0.087 0.000 0.910 307 T HN 0.060 nan 8.240 nan 0.000 0.513 308 K N 0.757 121.017 120.400 -0.234 0.000 2.353 308 K HA 0.358 4.678 4.320 0.001 0.000 0.195 308 K C 1.511 178.043 176.600 -0.112 0.000 1.031 308 K CA 0.450 56.610 56.287 -0.212 0.000 1.079 308 K CB -0.126 32.174 32.500 -0.333 0.000 0.857 308 K HN 0.524 nan 8.250 nan 0.000 0.535 309 G N 2.391 111.145 108.800 -0.076 0.000 2.212 309 G HA2 -0.285 3.676 3.960 0.001 0.000 0.255 309 G HA3 -0.285 3.676 3.960 0.001 0.000 0.255 309 G C -0.236 174.658 174.900 -0.011 0.000 1.062 309 G CA 0.142 45.229 45.100 -0.022 0.000 0.815 309 G HN 0.417 nan 8.290 nan 0.000 0.497 310 Q N -1.342 118.454 119.800 -0.008 0.000 2.354 310 Q HA 0.596 4.936 4.340 0.001 0.000 0.372 310 Q C 0.752 176.793 176.000 0.068 0.000 0.923 310 Q CA -0.571 55.235 55.803 0.005 0.000 1.123 310 Q CB 0.397 29.121 28.738 -0.024 0.000 1.298 310 Q HN 0.527 nan 8.270 nan 0.000 0.419 311 F N -0.520 119.363 119.950 -0.112 0.000 2.495 311 F HA 0.352 4.880 4.527 0.001 0.000 0.271 311 F C -0.260 175.434 175.800 -0.176 0.000 0.889 311 F CA -0.444 57.460 58.000 -0.160 0.000 1.129 311 F CB 0.702 39.502 39.000 -0.333 0.000 1.169 311 F HN -0.019 nan 8.300 nan 0.000 0.781 312 F N 2.921 122.913 119.950 0.070 0.000 2.429 312 F HA 0.298 4.826 4.527 0.001 0.000 0.348 312 F C 0.542 176.058 175.800 -0.474 0.000 1.109 312 F CA -0.654 57.116 58.000 -0.384 0.000 1.232 312 F CB 0.190 38.760 39.000 -0.717 0.000 1.157 312 F HN -0.116 nan 8.300 nan 0.000 0.564 313 L N 0.000 121.027 121.223 -0.327 0.000 2.949 313 L HA 0.000 4.340 4.340 0.001 0.000 0.249 313 L CA 0.000 54.698 54.840 -0.237 0.000 0.813 313 L CB 0.000 41.960 42.059 -0.165 0.000 0.961 313 L HN 0.000 nan 8.230 nan 0.000 0.502