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 2wxz_1_A DATA FIRST_RESID 6 DATA SEQUENCE HPFHLLYYSK STcAQXXXXX XXTLPEPTFE PVPIQAKTSP VDEKTLRDKL DATA SEQUENCE VLATEKLEAE DRQRAAQVAM IANFVGFRMY KMLSEARXVA SGAVLSPPAL DATA SEQUENCE FGTLVSFYLG SLDPTASQLQ VLLGVPVKEG DcTSRLDGHK VLTALQAVQG DATA SEQUENCE LLVTXXXXXX XXPLLQSTVV GLFTAPGLRL KQPFVESLGP FTPAIFPRSL DATA SEQUENCE DLSTDPVLAA QKINRFVQAV TGWKMNLPLE GVSTDSTLFF NTYVHFQGKM DATA SEQUENCE RGFSQLTGLH EFWVDNSTSV SVPMLSGTGN FQHWSDAQNN FSVTRVPLGE DATA SEQUENCE SVTLLLIQPQ CASDLDRVEV LVFQHDFLTW IKNPPPRAIR LTLPQLEIRG DATA SEQUENCE SYNLQDLLAQ AKLSTLLGAE ANLGKMGDTN PRVGEVLNSI LLELQAGEXX DATA SEQUENCE XXXXXAQQPG SPEVLDVTLS SPFLFAIYER DSGALHFLGR VDNPQ 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 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 174.860 175.328 -0.781 0.000 0.993 6 H CA 0.000 55.810 56.048 -0.396 0.000 1.023 6 H CB 0.000 29.619 29.762 -0.238 0.000 1.292 7 P HA -0.122 nan 4.420 nan 0.000 0.259 7 P C -0.343 176.556 177.300 -0.667 0.000 1.155 7 P CA 1.072 63.824 63.100 -0.581 0.000 0.759 7 P CB 0.168 31.565 31.700 -0.504 0.000 0.753 8 F N 0.139 119.998 119.950 -0.151 0.000 2.772 8 F HA 0.214 4.740 4.527 -0.001 0.000 0.302 8 F C 1.836 177.602 175.800 -0.057 0.000 1.136 8 F CA -0.117 57.795 58.000 -0.147 0.000 1.322 8 F CB -0.640 38.189 39.000 -0.286 0.000 0.967 8 F HN 0.471 nan 8.300 nan 0.000 0.513 9 H N 0.319 119.545 119.070 0.260 0.000 2.394 9 H HA -0.198 4.357 4.556 -0.002 0.000 0.297 9 H C 1.911 177.368 175.328 0.215 0.000 1.113 9 H CA 1.764 57.998 56.048 0.311 0.000 1.277 9 H CB -0.034 29.833 29.762 0.174 0.000 1.370 9 H HN 0.315 nan 8.280 nan 0.000 0.506 10 L N 0.273 121.632 121.223 0.227 0.000 2.465 10 L HA -0.086 4.253 4.340 -0.002 0.000 0.224 10 L C 1.650 178.558 176.870 0.062 0.000 1.145 10 L CA 0.332 55.251 54.840 0.131 0.000 0.834 10 L CB -0.017 42.093 42.059 0.084 0.000 0.944 10 L HN 0.306 nan 8.230 nan 0.000 0.451 11 L N -2.124 119.091 121.223 -0.013 0.000 2.249 11 L HA 0.030 4.369 4.340 -0.002 0.000 0.207 11 L C 0.695 177.442 176.870 -0.206 0.000 1.090 11 L CA -0.041 54.706 54.840 -0.155 0.000 0.802 11 L CB -0.244 41.651 42.059 -0.274 0.000 0.947 11 L HN 0.058 nan 8.230 nan 0.000 0.453 12 Y N -0.951 119.360 120.300 0.019 0.000 2.385 12 Y HA 0.051 4.600 4.550 -0.002 0.000 0.346 12 Y C 0.256 176.162 175.900 0.011 0.000 1.270 12 Y CA -0.704 57.396 58.100 -0.001 0.000 1.472 12 Y CB -0.138 38.383 38.460 0.102 0.000 1.354 12 Y HN -0.166 nan 8.280 nan 0.000 0.611 13 Y N 0.523 120.986 120.300 0.273 0.000 2.620 13 Y HA 0.085 4.634 4.550 -0.002 0.000 0.330 13 Y C 0.785 176.776 175.900 0.151 0.000 1.186 13 Y CA -0.495 57.709 58.100 0.174 0.000 1.467 13 Y CB 0.099 38.644 38.460 0.141 0.000 1.262 13 Y HN 0.513 nan 8.280 nan 0.000 0.550 14 S N 2.617 118.493 115.700 0.293 0.000 2.601 14 S HA 0.251 4.720 4.470 -0.002 0.000 0.271 14 S C 0.948 175.629 174.600 0.134 0.000 1.305 14 S CA -0.999 57.309 58.200 0.180 0.000 1.022 14 S CB 1.394 64.676 63.200 0.138 0.000 0.940 14 S HN 0.720 nan 8.310 nan 0.000 0.525 15 K N 1.144 121.596 120.400 0.086 0.000 2.160 15 K HA -0.137 4.182 4.320 -0.002 0.000 0.206 15 K C 2.376 178.999 176.600 0.038 0.000 1.047 15 K CA 1.697 58.015 56.287 0.052 0.000 0.930 15 K CB -0.458 32.061 32.500 0.032 0.000 0.720 15 K HN 0.823 nan 8.250 nan 0.000 0.450 16 S N 0.496 116.223 115.700 0.045 0.000 2.371 16 S HA -0.139 4.330 4.470 -0.002 0.000 0.224 16 S C 2.266 176.883 174.600 0.029 0.000 1.029 16 S CA 1.645 59.865 58.200 0.033 0.000 0.978 16 S CB -0.769 62.453 63.200 0.036 0.000 0.833 16 S HN 0.446 nan 8.310 nan 0.000 0.466 17 T N -1.279 113.308 114.554 0.054 0.000 2.896 17 T HA 0.011 4.360 4.350 -0.002 0.000 0.263 17 T C 1.959 176.636 174.700 -0.039 0.000 1.050 17 T CA 0.951 63.076 62.100 0.043 0.000 1.140 17 T CB -1.126 67.822 68.868 0.134 0.000 0.877 17 T HN 0.436 nan 8.240 nan 0.000 0.457 18 c N 1.506 120.086 118.600 -0.032 0.000 2.448 18 c HA 0.494 5.063 4.570 -0.002 0.000 0.280 18 c C 3.241 177.283 174.090 -0.080 0.000 1.398 18 c CA 0.176 56.430 56.329 -0.125 0.000 1.774 18 c CB -1.680 40.810 42.510 -0.034 0.000 1.888 18 c HN 0.724 nan 8.230 nan 0.000 0.519 19 A N -0.316 122.483 122.820 -0.035 0.000 1.902 19 A HA -0.116 4.203 4.320 -0.002 0.000 0.217 19 A C 1.470 179.030 177.584 -0.039 0.000 1.181 19 A CA 1.093 53.114 52.037 -0.027 0.000 0.623 19 A CB -0.424 18.570 19.000 -0.010 0.000 0.818 19 A HN 0.786 nan 8.150 nan 0.000 0.443 29 L N 3.311 124.532 121.223 -0.003 0.000 2.367 29 L HA 0.404 4.743 4.340 -0.002 0.000 0.275 29 L C -1.648 175.224 176.870 0.003 0.000 1.129 29 L CA -1.687 53.153 54.840 0.000 0.000 0.839 29 L CB 0.080 42.140 42.059 0.001 0.000 1.133 29 L HN 0.417 nan 8.230 nan 0.000 0.453 30 P HA 0.083 nan 4.420 nan 0.000 0.276 30 P C -0.731 176.578 177.300 0.014 0.000 1.253 30 P CA -0.425 62.679 63.100 0.007 0.000 0.766 30 P CB 0.575 32.278 31.700 0.006 0.000 0.845 31 E N 5.187 125.398 120.200 0.019 0.000 2.406 31 E HA 0.075 4.424 4.350 -0.002 0.000 0.258 31 E C -1.760 174.865 176.600 0.042 0.000 1.043 31 E CA -1.138 55.282 56.400 0.033 0.000 0.929 31 E CB -0.225 29.498 29.700 0.038 0.000 0.969 31 E HN 0.426 nan 8.360 nan 0.000 0.462 32 P HA 0.054 nan 4.420 nan 0.000 0.281 32 P C -0.140 177.225 177.300 0.109 0.000 1.252 32 P CA -0.255 62.882 63.100 0.061 0.000 0.778 32 P CB 0.874 32.602 31.700 0.046 0.000 0.895 33 T N 0.429 115.053 114.554 0.116 0.000 2.922 33 T HA 0.822 5.171 4.350 -0.002 0.000 0.281 33 T C -0.396 174.462 174.700 0.264 0.000 1.005 33 T CA -0.610 61.591 62.100 0.169 0.000 0.982 33 T CB 1.033 69.935 68.868 0.056 0.000 1.158 33 T HN 0.405 nan 8.240 nan 0.000 0.566 34 F N -1.847 118.106 119.950 0.006 0.000 2.693 34 F HA 0.745 5.271 4.527 -0.002 0.000 0.309 34 F C -1.156 174.643 175.800 -0.001 0.000 1.129 34 F CA -1.286 56.715 58.000 0.001 0.000 0.948 34 F CB 1.457 40.457 39.000 -0.001 0.000 1.315 34 F HN 0.798 nan 8.300 nan 0.000 0.447 35 E N 3.083 123.230 120.200 -0.089 0.000 2.133 35 E HA 0.505 4.854 4.350 -0.002 0.000 0.274 35 E C -2.616 173.942 176.600 -0.070 0.000 0.930 35 E CA -2.276 54.007 56.400 -0.196 0.000 0.770 35 E CB 1.341 30.992 29.700 -0.080 0.000 1.104 35 E HN 0.444 nan 8.360 nan 0.000 0.403 36 P HA -0.100 nan 4.420 nan 0.000 0.266 36 P C -0.553 176.752 177.300 0.008 0.000 1.193 36 P CA -0.167 62.936 63.100 0.005 0.000 0.770 36 P CB 0.370 32.027 31.700 -0.071 0.000 0.836 37 V N 0.638 120.571 119.914 0.031 0.000 3.051 37 V HA 0.331 4.450 4.120 -0.002 0.000 0.306 37 V C -2.343 173.732 176.094 -0.031 0.000 1.083 37 V CA -2.110 60.194 62.300 0.006 0.000 1.104 37 V CB -0.478 31.356 31.823 0.018 0.000 1.027 37 V HN 0.386 nan 8.190 nan 0.000 0.483 38 P HA 0.177 nan 4.420 nan 0.000 0.265 38 P C 0.872 178.128 177.300 -0.074 0.000 1.193 38 P CA 0.172 63.245 63.100 -0.045 0.000 0.765 38 P CB 0.422 32.105 31.700 -0.029 0.000 0.823 39 I N 2.300 122.811 120.570 -0.099 0.000 2.530 39 I HA -0.322 3.847 4.170 -0.002 0.000 0.257 39 I C 1.378 177.438 176.117 -0.095 0.000 1.179 39 I CA 1.652 62.848 61.300 -0.172 0.000 1.440 39 I CB 0.117 38.049 38.000 -0.113 0.000 1.087 39 I HN 0.379 nan 8.210 nan 0.000 0.440 40 Q N 1.051 120.829 119.800 -0.036 0.000 2.378 40 Q HA 0.184 4.523 4.340 -0.002 0.000 0.205 40 Q C 0.949 176.964 176.000 0.025 0.000 0.954 40 Q CA 0.609 56.416 55.803 0.006 0.000 0.901 40 Q CB -0.241 28.495 28.738 -0.003 0.000 0.981 40 Q HN 0.550 nan 8.270 nan 0.000 0.483 41 A N 1.600 124.427 122.820 0.011 0.000 2.567 41 A HA -0.037 4.282 4.320 -0.002 0.000 0.240 41 A C 0.017 177.642 177.584 0.069 0.000 1.053 41 A CA 0.008 52.063 52.037 0.030 0.000 0.755 41 A CB -0.006 19.007 19.000 0.021 0.000 0.978 41 A HN 0.187 nan 8.150 nan 0.000 0.507 42 K N 1.609 122.043 120.400 0.056 0.000 2.451 42 K HA 0.220 4.539 4.320 -0.002 0.000 0.280 42 K C -0.567 176.084 176.600 0.085 0.000 1.020 42 K CA 0.711 57.034 56.287 0.060 0.000 1.008 42 K CB 0.177 32.697 32.500 0.033 0.000 0.917 42 K HN 0.724 nan 8.250 nan 0.000 0.478 43 T N 2.214 116.826 114.554 0.097 0.000 2.916 43 T HA 0.159 4.508 4.350 -0.002 0.000 0.298 43 T C -0.893 173.835 174.700 0.047 0.000 1.031 43 T CA -0.735 61.440 62.100 0.124 0.000 0.993 43 T CB 1.672 70.699 68.868 0.266 0.000 1.045 43 T HN 0.484 nan 8.240 nan 0.000 0.454 44 S N 4.399 120.136 115.700 0.062 0.000 2.546 44 S HA 0.180 4.649 4.470 -0.002 0.000 0.290 44 S C -1.953 172.636 174.600 -0.018 0.000 1.290 44 S CA -0.697 57.518 58.200 0.024 0.000 1.069 44 S CB -0.142 63.086 63.200 0.045 0.000 0.846 44 S HN 0.466 nan 8.310 nan 0.000 0.495 45 P HA 0.113 nan 4.420 nan 0.000 0.270 45 P C -0.728 176.521 177.300 -0.085 0.000 1.223 45 P CA -0.457 62.557 63.100 -0.142 0.000 0.785 45 P CB 0.326 31.948 31.700 -0.129 0.000 0.923 46 V N 1.550 121.380 119.914 -0.139 0.000 2.583 46 V HA 0.097 4.216 4.120 -0.002 0.000 0.287 46 V C 0.486 176.573 176.094 -0.012 0.000 1.051 46 V CA 0.111 62.387 62.300 -0.039 0.000 1.010 46 V CB 0.707 32.483 31.823 -0.078 0.000 0.988 46 V HN 0.499 nan 8.190 nan 0.000 0.478 47 D N 3.232 123.649 120.400 0.029 0.000 2.428 47 D HA 0.192 4.831 4.640 -0.002 0.000 0.221 47 D C 1.065 177.405 176.300 0.067 0.000 1.123 47 D CA -0.195 53.829 54.000 0.039 0.000 0.869 47 D CB 1.064 41.881 40.800 0.028 0.000 1.032 47 D HN 0.627 nan 8.370 nan 0.000 0.506 48 E N 2.616 122.876 120.200 0.100 0.000 2.204 48 E HA -0.181 4.168 4.350 -0.002 0.000 0.194 48 E C 1.451 178.093 176.600 0.069 0.000 0.989 48 E CA 0.539 57.016 56.400 0.128 0.000 0.824 48 E CB 0.315 30.134 29.700 0.197 0.000 0.756 48 E HN 0.455 nan 8.360 nan 0.000 0.477 49 K N 0.717 121.146 120.400 0.048 0.000 2.057 49 K HA -0.132 4.187 4.320 -0.002 0.000 0.207 49 K C 1.966 178.580 176.600 0.024 0.000 1.049 49 K CA 1.570 57.871 56.287 0.025 0.000 0.931 49 K CB 0.037 32.548 32.500 0.018 0.000 0.714 49 K HN 0.008 nan 8.250 nan 0.000 0.440 50 T N 1.652 116.224 114.554 0.029 0.000 2.867 50 T HA -0.074 4.275 4.350 -0.002 0.000 0.268 50 T C 1.735 176.452 174.700 0.029 0.000 1.057 50 T CA 0.988 63.103 62.100 0.025 0.000 1.136 50 T CB -0.043 68.840 68.868 0.024 0.000 0.874 50 T HN 0.165 nan 8.240 nan 0.000 0.466 51 L N 0.129 121.378 121.223 0.043 0.000 2.156 51 L HA 0.038 4.377 4.340 -0.002 0.000 0.208 51 L C 2.917 179.808 176.870 0.036 0.000 1.095 51 L CA 1.030 55.899 54.840 0.048 0.000 0.770 51 L CB -0.404 41.702 42.059 0.078 0.000 0.914 51 L HN 0.104 nan 8.230 nan 0.000 0.439 52 R N 0.238 120.754 120.500 0.026 0.000 2.062 52 R HA -0.150 4.189 4.340 -0.002 0.000 0.231 52 R C 1.920 178.227 176.300 0.012 0.000 1.136 52 R CA 1.710 57.818 56.100 0.012 0.000 0.948 52 R CB -0.171 30.126 30.300 -0.005 0.000 0.845 52 R HN 0.300 nan 8.270 nan 0.000 0.430 53 D N 0.650 121.057 120.400 0.012 0.000 2.126 53 D HA -0.208 4.431 4.640 -0.002 0.000 0.190 53 D C 1.823 178.131 176.300 0.013 0.000 1.001 53 D CA 1.564 55.570 54.000 0.010 0.000 0.841 53 D CB -0.116 40.690 40.800 0.010 0.000 0.949 53 D HN 0.265 nan 8.370 nan 0.000 0.446 54 K N 0.136 120.545 120.400 0.015 0.000 2.025 54 K HA -0.036 4.283 4.320 -0.002 0.000 0.207 54 K C 2.450 179.062 176.600 0.019 0.000 1.049 54 K CA 0.413 56.709 56.287 0.016 0.000 0.933 54 K CB -0.289 32.221 32.500 0.016 0.000 0.714 54 K HN 0.121 nan 8.250 nan 0.000 0.438 55 L N 0.929 122.166 121.223 0.023 0.000 2.043 55 L HA -0.252 4.087 4.340 -0.002 0.000 0.212 55 L C 2.375 179.259 176.870 0.023 0.000 1.075 55 L CA 1.129 55.986 54.840 0.027 0.000 0.752 55 L CB -0.437 41.641 42.059 0.032 0.000 0.891 55 L HN 0.042 nan 8.230 nan 0.000 0.432 56 V N -0.086 119.838 119.914 0.017 0.000 2.237 56 V HA -0.327 3.792 4.120 -0.002 0.000 0.245 56 V C 2.375 178.478 176.094 0.015 0.000 1.046 56 V CA 1.812 64.121 62.300 0.014 0.000 1.007 56 V CB -0.422 31.407 31.823 0.009 0.000 0.638 56 V HN 0.337 nan 8.190 nan 0.000 0.445 57 L N 0.068 121.299 121.223 0.014 0.000 2.089 57 L HA -0.272 4.067 4.340 -0.002 0.000 0.213 57 L C 2.647 179.527 176.870 0.017 0.000 1.079 57 L CA 1.719 56.568 54.840 0.014 0.000 0.758 57 L CB -0.685 41.382 42.059 0.013 0.000 0.891 57 L HN 0.410 nan 8.230 nan 0.000 0.433 58 A N -0.378 122.453 122.820 0.019 0.000 1.933 58 A HA -0.235 4.084 4.320 -0.002 0.000 0.218 58 A C 2.438 180.034 177.584 0.021 0.000 1.175 58 A CA 2.271 54.320 52.037 0.021 0.000 0.628 58 A CB -0.898 18.117 19.000 0.025 0.000 0.814 58 A HN 0.553 nan 8.150 nan 0.000 0.444 59 T N -2.044 112.522 114.554 0.021 0.000 2.770 59 T HA -0.100 4.249 4.350 -0.002 0.000 0.263 59 T C 1.596 176.306 174.700 0.017 0.000 1.039 59 T CA 1.413 63.525 62.100 0.019 0.000 1.142 59 T CB -0.482 68.397 68.868 0.018 0.000 0.868 59 T HN 0.581 nan 8.240 nan 0.000 0.435 60 E N 1.711 121.920 120.200 0.015 0.000 2.209 60 E HA -0.108 4.241 4.350 -0.002 0.000 0.196 60 E C 1.811 178.420 176.600 0.014 0.000 0.993 60 E CA 1.080 57.488 56.400 0.014 0.000 0.819 60 E CB -0.096 29.611 29.700 0.013 0.000 0.745 60 E HN 0.769 nan 8.360 nan 0.000 0.477 61 K N 0.673 121.083 120.400 0.016 0.000 2.570 61 K HA 0.167 4.486 4.320 -0.002 0.000 0.210 61 K C -0.143 176.468 176.600 0.018 0.000 1.048 61 K CA -0.126 56.171 56.287 0.017 0.000 1.167 61 K CB 0.163 32.673 32.500 0.017 0.000 0.892 61 K HN 0.008 nan 8.250 nan 0.000 0.480 62 L N 2.267 123.500 121.223 0.017 0.000 2.331 62 L HA 0.215 4.554 4.340 -0.002 0.000 0.278 62 L C 0.417 177.297 176.870 0.017 0.000 1.106 62 L CA -0.480 54.370 54.840 0.018 0.000 0.824 62 L CB 0.978 43.047 42.059 0.017 0.000 1.142 62 L HN 0.242 nan 8.230 nan 0.000 0.443 63 E N 1.817 122.028 120.200 0.018 0.000 2.312 63 E HA 0.312 4.661 4.350 -0.002 0.000 0.259 63 E C 0.738 177.348 176.600 0.016 0.000 1.122 63 E CA 0.395 56.806 56.400 0.018 0.000 0.922 63 E CB 1.532 31.244 29.700 0.020 0.000 1.109 63 E HN 0.550 nan 8.360 nan 0.000 0.442 64 A N 2.186 125.015 122.820 0.015 0.000 1.892 64 A HA -0.269 4.050 4.320 -0.002 0.000 0.218 64 A C 1.852 179.445 177.584 0.015 0.000 1.188 64 A CA 2.136 54.181 52.037 0.013 0.000 0.631 64 A CB -0.809 18.199 19.000 0.013 0.000 0.822 64 A HN 0.791 nan 8.150 nan 0.000 0.447 65 E N -0.318 119.894 120.200 0.019 0.000 2.070 65 E HA -0.231 4.118 4.350 -0.002 0.000 0.197 65 E C 1.561 178.174 176.600 0.022 0.000 1.004 65 E CA 1.506 57.920 56.400 0.024 0.000 0.805 65 E CB -0.307 29.411 29.700 0.030 0.000 0.744 65 E HN 0.614 nan 8.360 nan 0.000 0.451 66 D N -0.044 120.369 120.400 0.021 0.000 2.144 66 D HA -0.128 4.511 4.640 -0.002 0.000 0.199 66 D C 1.988 178.295 176.300 0.011 0.000 0.984 66 D CA 0.820 54.831 54.000 0.019 0.000 0.834 66 D CB -0.203 40.609 40.800 0.020 0.000 0.955 66 D HN 0.122 nan 8.370 nan 0.000 0.465 67 R N 0.403 120.908 120.500 0.009 0.000 2.073 67 R HA -0.032 4.307 4.340 -0.002 0.000 0.229 67 R C 2.428 178.725 176.300 -0.005 0.000 1.120 67 R CA 0.757 56.858 56.100 0.002 0.000 0.967 67 R CB -0.066 30.235 30.300 0.003 0.000 0.862 67 R HN 0.281 nan 8.270 nan 0.000 0.436 68 Q N -0.040 119.760 119.800 -0.001 0.000 2.096 68 Q HA -0.190 4.149 4.340 -0.002 0.000 0.204 68 Q C 2.180 178.174 176.000 -0.010 0.000 0.982 68 Q CA 1.394 57.194 55.803 -0.005 0.000 0.850 68 Q CB -0.137 28.604 28.738 0.006 0.000 0.901 68 Q HN 0.243 nan 8.270 nan 0.000 0.422 69 R N 0.104 120.604 120.500 0.000 0.000 2.073 69 R HA -0.147 4.192 4.340 -0.002 0.000 0.234 69 R C 2.234 178.522 176.300 -0.020 0.000 1.134 69 R CA 1.255 57.355 56.100 -0.001 0.000 0.952 69 R CB -0.276 30.030 30.300 0.011 0.000 0.850 69 R HN 0.256 nan 8.270 nan 0.000 0.433 70 A N 0.555 123.363 122.820 -0.020 0.000 1.972 70 A HA -0.130 4.189 4.320 -0.002 0.000 0.219 70 A C 2.276 179.822 177.584 -0.064 0.000 1.169 70 A CA 1.682 53.698 52.037 -0.034 0.000 0.635 70 A CB -0.581 18.409 19.000 -0.017 0.000 0.810 70 A HN 0.499 nan 8.150 nan 0.000 0.446 71 A N -0.598 122.188 122.820 -0.056 0.000 1.902 71 A HA -0.225 4.094 4.320 -0.002 0.000 0.217 71 A C 2.129 179.654 177.584 -0.099 0.000 1.181 71 A CA 1.706 53.700 52.037 -0.071 0.000 0.623 71 A CB -0.552 18.416 19.000 -0.052 0.000 0.818 71 A HN 0.663 nan 8.150 nan 0.000 0.443 72 Q N -0.977 118.772 119.800 -0.085 0.000 2.046 72 Q HA -0.090 4.249 4.340 -0.002 0.000 0.200 72 Q C 2.136 178.064 176.000 -0.120 0.000 0.975 72 Q CA 1.444 57.197 55.803 -0.083 0.000 0.836 72 Q CB -0.427 28.292 28.738 -0.032 0.000 0.896 72 Q HN 0.484 nan 8.270 nan 0.000 0.428 73 V N 0.722 120.554 119.914 -0.137 0.000 2.490 73 V HA -0.227 3.892 4.120 -0.002 0.000 0.250 73 V C 2.010 177.850 176.094 -0.423 0.000 1.061 73 V CA 1.828 63.981 62.300 -0.245 0.000 1.064 73 V CB -0.506 31.240 31.823 -0.128 0.000 0.670 73 V HN 0.408 nan 8.190 nan 0.000 0.461 74 A N -0.447 122.193 122.820 -0.300 0.000 1.877 74 A HA -0.219 4.100 4.320 -0.002 0.000 0.216 74 A C 2.232 179.611 177.584 -0.342 0.000 1.186 74 A CA 2.242 54.089 52.037 -0.317 0.000 0.620 74 A CB -0.549 18.322 19.000 -0.215 0.000 0.822 74 A HN 0.538 nan 8.150 nan 0.000 0.443 75 M N -0.654 118.756 119.600 -0.317 0.000 2.088 75 M HA -0.214 4.265 4.480 -0.002 0.000 0.256 75 M C 2.179 178.092 176.300 -0.645 0.000 1.071 75 M CA 1.952 56.974 55.300 -0.464 0.000 1.097 75 M CB -0.666 31.663 32.600 -0.452 0.000 1.315 75 M HN 0.444 nan 8.290 nan 0.000 0.406 76 I N -0.220 120.032 120.570 -0.530 0.000 2.163 76 I HA -0.247 3.922 4.170 -0.002 0.000 0.240 76 I C 2.741 178.563 176.117 -0.491 0.000 1.081 76 I CA 1.202 62.225 61.300 -0.462 0.000 1.353 76 I CB -0.698 37.052 38.000 -0.417 0.000 1.054 76 I HN 0.275 nan 8.210 nan 0.000 0.407 77 A N 1.218 123.519 122.820 -0.865 0.000 1.892 77 A HA -0.280 4.039 4.320 -0.002 0.000 0.218 77 A C 2.035 179.396 177.584 -0.372 0.000 1.188 77 A CA 2.481 54.093 52.037 -0.708 0.000 0.631 77 A CB -0.896 17.674 19.000 -0.717 0.000 0.822 77 A HN 0.436 nan 8.150 nan 0.000 0.447 78 N N -0.557 117.937 118.700 -0.344 0.000 2.043 78 N HA -0.122 4.617 4.740 -0.002 0.000 0.193 78 N C 1.493 176.873 175.510 -0.215 0.000 1.037 78 N CA 1.777 54.620 53.050 -0.345 0.000 0.851 78 N CB -0.679 37.753 38.487 -0.091 0.000 1.027 78 N HN 0.642 nan 8.380 nan 0.000 0.422 79 F N -0.036 119.833 119.950 -0.136 0.000 2.102 79 F HA -0.171 4.355 4.527 -0.002 0.000 0.298 79 F C 2.492 178.308 175.800 0.027 0.000 1.105 79 F CA 0.459 58.509 58.000 0.082 0.000 1.239 79 F CB -0.461 38.584 39.000 0.076 0.000 0.991 79 F HN -0.076 nan 8.300 nan 0.000 0.474 80 V N 0.383 120.389 119.914 0.153 0.000 2.343 80 V HA -0.219 3.900 4.120 -0.002 0.000 0.247 80 V C 2.384 178.497 176.094 0.030 0.000 1.051 80 V CA 2.336 64.695 62.300 0.099 0.000 1.036 80 V CB -0.995 30.909 31.823 0.134 0.000 0.654 80 V HN 0.416 nan 8.190 nan 0.000 0.451 81 G N -0.986 107.755 108.800 -0.097 0.000 2.442 81 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.219 81 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.219 81 G C 1.397 176.216 174.900 -0.134 0.000 1.141 81 G CA 1.179 46.167 45.100 -0.186 0.000 0.763 81 G HN 0.532 nan 8.290 nan 0.000 0.554 82 F N 0.610 120.562 119.950 0.003 0.000 2.146 82 F HA 0.097 4.623 4.527 -0.002 0.000 0.298 82 F C 2.676 178.489 175.800 0.022 0.000 1.096 82 F CA 1.087 59.084 58.000 -0.006 0.000 1.275 82 F CB -0.617 38.361 39.000 -0.038 0.000 1.008 82 F HN 0.022 nan 8.300 nan 0.000 0.480 83 R N -0.056 120.561 120.500 0.196 0.000 2.096 83 R HA -0.121 4.218 4.340 -0.002 0.000 0.235 83 R C 2.081 178.422 176.300 0.068 0.000 1.127 83 R CA 1.367 57.533 56.100 0.109 0.000 0.968 83 R CB -0.378 29.972 30.300 0.083 0.000 0.861 83 R HN 0.082 nan 8.270 nan 0.000 0.440 84 M N -1.274 118.359 119.600 0.056 0.000 2.156 84 M HA -0.114 4.365 4.480 -0.002 0.000 0.264 84 M C 1.873 178.156 176.300 -0.028 0.000 1.067 84 M CA 1.344 56.648 55.300 0.006 0.000 1.131 84 M CB -0.920 31.684 32.600 0.007 0.000 1.368 84 M HN 0.161 nan 8.290 nan 0.000 0.416 85 Y N 1.368 121.605 120.300 -0.106 0.000 2.274 85 Y HA -0.230 4.319 4.550 -0.002 0.000 0.290 85 Y C 2.546 178.395 175.900 -0.084 0.000 1.145 85 Y CA 1.816 59.836 58.100 -0.134 0.000 1.203 85 Y CB -0.160 38.227 38.460 -0.121 0.000 0.984 85 Y HN 0.182 nan 8.280 nan 0.000 0.533 86 K N -0.529 119.912 120.400 0.067 0.000 2.063 86 K HA -0.201 4.118 4.320 -0.002 0.000 0.208 86 K C 1.849 178.397 176.600 -0.087 0.000 1.048 86 K CA 1.756 58.042 56.287 -0.002 0.000 0.928 86 K CB -0.096 32.422 32.500 0.030 0.000 0.713 86 K HN 0.271 nan 8.250 nan 0.000 0.442 87 M N 0.601 120.150 119.600 -0.086 0.000 2.099 87 M HA -0.141 4.338 4.480 -0.002 0.000 0.262 87 M C 2.307 178.509 176.300 -0.164 0.000 1.067 87 M CA 1.046 56.286 55.300 -0.100 0.000 1.124 87 M CB -1.089 31.467 32.600 -0.073 0.000 1.353 87 M HN 0.192 nan 8.290 nan 0.000 0.410 88 L N 0.432 121.499 121.223 -0.259 0.000 2.083 88 L HA -0.110 4.229 4.340 -0.002 0.000 0.209 88 L C 2.423 179.081 176.870 -0.353 0.000 1.083 88 L CA 1.687 56.316 54.840 -0.351 0.000 0.752 88 L CB -0.728 40.998 42.059 -0.554 0.000 0.899 88 L HN 0.203 nan 8.230 nan 0.000 0.433 89 S N -0.499 114.956 115.700 -0.409 0.000 2.368 89 S HA -0.192 4.277 4.470 -0.002 0.000 0.225 89 S C 1.765 176.259 174.600 -0.176 0.000 1.030 89 S CA 1.552 59.566 58.200 -0.311 0.000 0.999 89 S CB -0.294 62.747 63.200 -0.264 0.000 0.844 89 S HN 0.573 nan 8.310 nan 0.000 0.459 90 E N 1.228 121.342 120.200 -0.143 0.000 2.106 90 E HA -0.032 4.317 4.350 -0.002 0.000 0.192 90 E C 2.338 178.887 176.600 -0.084 0.000 0.984 90 E CA 0.879 57.222 56.400 -0.095 0.000 0.806 90 E CB -0.229 29.426 29.700 -0.075 0.000 0.750 90 E HN 0.504 nan 8.360 nan 0.000 0.458 91 A N 1.106 123.868 122.820 -0.097 0.000 1.902 91 A HA -0.126 4.193 4.320 -0.002 0.000 0.217 91 A C 0.771 178.316 177.584 -0.065 0.000 1.181 91 A CA 0.934 52.926 52.037 -0.074 0.000 0.623 91 A CB -0.296 18.660 19.000 -0.074 0.000 0.818 91 A HN 0.148 nan 8.150 nan 0.000 0.443 95 A N 0.513 123.324 122.820 -0.014 0.000 1.917 95 A HA -0.196 4.123 4.320 -0.002 0.000 0.219 95 A C 2.158 179.739 177.584 -0.006 0.000 1.182 95 A CA 3.139 55.168 52.037 -0.013 0.000 0.633 95 A CB -0.787 18.204 19.000 -0.014 0.000 0.819 95 A HN 0.769 nan 8.150 nan 0.000 0.448 96 S N -1.787 113.911 115.700 -0.002 0.000 2.387 96 S HA 0.364 4.833 4.470 -0.002 0.000 0.226 96 S C 1.379 175.985 174.600 0.009 0.000 1.026 96 S CA 1.261 59.462 58.200 0.003 0.000 0.972 96 S CB -0.241 62.967 63.200 0.014 0.000 0.814 96 S HN 1.627 nan 8.310 nan 0.000 0.477 97 G N 0.766 109.574 108.800 0.012 0.000 2.545 97 G HA2 0.342 4.301 3.960 -0.002 0.000 0.211 97 G HA3 0.342 4.301 3.960 -0.002 0.000 0.211 97 G C -0.727 174.194 174.900 0.035 0.000 1.167 97 G CA -0.296 44.819 45.100 0.026 0.000 1.151 97 G HN 1.295 nan 8.290 nan 0.000 0.581 98 A N -2.136 120.740 122.820 0.093 0.000 2.599 98 A HA 0.847 5.166 4.320 -0.002 0.000 0.294 98 A C -1.217 176.502 177.584 0.224 0.000 1.055 98 A CA 0.388 52.484 52.037 0.098 0.000 0.683 98 A CB 1.511 20.495 19.000 -0.027 0.000 1.278 98 A HN 2.089 nan 8.150 nan 0.000 0.412 99 V N 1.117 121.172 119.914 0.234 0.000 2.777 99 V HA 0.713 4.832 4.120 -0.002 0.000 0.306 99 V C -0.844 175.412 176.094 0.270 0.000 1.112 99 V CA -0.344 62.153 62.300 0.329 0.000 0.917 99 V CB 1.745 33.831 31.823 0.438 0.000 1.018 99 V HN 1.127 nan 8.190 nan 0.000 0.426 100 L N 2.668 124.003 121.223 0.187 0.000 2.409 100 L HA 0.831 5.170 4.340 -0.002 0.000 0.262 100 L C -0.456 176.421 176.870 0.011 0.000 0.992 100 L CA -0.095 54.825 54.840 0.133 0.000 0.817 100 L CB 2.466 44.535 42.059 0.017 0.000 1.350 100 L HN 0.662 nan 8.230 nan 0.000 0.411 101 S N 4.280 119.967 115.700 -0.022 0.000 2.532 101 S HA 0.468 4.937 4.470 -0.002 0.000 0.256 101 S C -2.041 172.433 174.600 -0.210 0.000 1.298 101 S CA -1.502 56.476 58.200 -0.369 0.000 1.166 101 S CB 0.973 63.843 63.200 -0.550 0.000 1.022 101 S HN 0.542 nan 8.310 nan 0.000 0.480 102 P HA -0.067 nan 4.420 nan 0.000 0.216 102 P C -1.753 175.498 177.300 -0.081 0.000 1.150 102 P CA 1.229 64.225 63.100 -0.172 0.000 0.843 102 P CB -0.659 30.859 31.700 -0.304 0.000 0.787 103 P HA -0.101 nan 4.420 nan 0.000 0.214 103 P C 1.565 178.987 177.300 0.203 0.000 1.162 103 P CA 1.779 64.889 63.100 0.017 0.000 0.874 103 P CB -0.692 30.977 31.700 -0.052 0.000 0.784 104 A N 0.544 123.461 122.820 0.162 0.000 1.903 104 A HA -0.218 4.101 4.320 -0.002 0.000 0.219 104 A C 2.203 179.980 177.584 0.321 0.000 1.191 104 A CA 1.746 53.963 52.037 0.299 0.000 0.638 104 A CB -1.849 17.244 19.000 0.155 0.000 0.823 104 A HN 0.172 nan 8.150 nan 0.000 0.451 105 L N -1.685 119.655 121.223 0.194 0.000 2.093 105 L HA -0.110 4.229 4.340 -0.002 0.000 0.208 105 L C 2.292 179.247 176.870 0.143 0.000 1.085 105 L CA 2.291 57.236 54.840 0.175 0.000 0.755 105 L CB -0.868 41.291 42.059 0.166 0.000 0.904 105 L HN 0.512 nan 8.230 nan 0.000 0.435 106 F N 0.788 120.730 119.950 -0.014 0.000 2.113 106 F HA -0.108 4.419 4.527 -0.001 0.000 0.297 106 F C 2.296 178.013 175.800 -0.138 0.000 1.103 106 F CA 1.692 59.646 58.000 -0.077 0.000 1.248 106 F CB -0.350 38.592 39.000 -0.097 0.000 0.999 106 F HN 0.134 nan 8.300 nan 0.000 0.475 107 G N -1.092 107.634 108.800 -0.123 0.000 2.448 107 G HA2 -0.200 3.759 3.960 -0.002 0.000 0.219 107 G HA3 -0.200 3.759 3.960 -0.002 0.000 0.219 107 G C 1.527 175.886 174.900 -0.901 0.000 1.127 107 G CA 1.269 45.961 45.100 -0.680 0.000 0.766 107 G HN 0.384 nan 8.290 nan 0.000 0.552 108 T N 1.354 115.719 114.554 -0.315 0.000 2.746 108 T HA -0.035 4.314 4.350 -0.002 0.000 0.267 108 T C 2.385 176.977 174.700 -0.179 0.000 1.039 108 T CA 0.863 62.912 62.100 -0.084 0.000 1.142 108 T CB -0.154 68.827 68.868 0.189 0.000 0.866 108 T HN 0.187 nan 8.240 nan 0.000 0.444 109 L N 0.670 121.776 121.223 -0.195 0.000 2.109 109 L HA -0.015 4.324 4.340 -0.002 0.000 0.207 109 L C 2.652 179.405 176.870 -0.195 0.000 1.086 109 L CA 0.579 55.320 54.840 -0.166 0.000 0.760 109 L CB -0.644 41.280 42.059 -0.226 0.000 0.910 109 L HN 0.114 nan 8.230 nan 0.000 0.437 110 V N -0.582 119.084 119.914 -0.414 0.000 2.469 110 V HA -0.283 3.836 4.120 -0.002 0.000 0.251 110 V C 2.558 178.556 176.094 -0.159 0.000 1.064 110 V CA 2.015 64.100 62.300 -0.358 0.000 1.066 110 V CB -0.483 31.020 31.823 -0.533 0.000 0.667 110 V HN 0.409 nan 8.190 nan 0.000 0.461 111 S N -0.227 115.321 115.700 -0.252 0.000 2.356 111 S HA -0.138 4.331 4.470 -0.002 0.000 0.223 111 S C 1.771 176.333 174.600 -0.063 0.000 1.032 111 S CA 1.561 59.650 58.200 -0.186 0.000 1.005 111 S CB -0.465 62.581 63.200 -0.257 0.000 0.867 111 S HN 0.534 nan 8.310 nan 0.000 0.449 112 F N 0.402 120.258 119.950 -0.157 0.000 2.171 112 F HA -0.065 4.461 4.527 -0.002 0.000 0.300 112 F C 2.249 178.047 175.800 -0.004 0.000 1.090 112 F CA 1.082 59.028 58.000 -0.090 0.000 1.293 112 F CB -0.605 38.286 39.000 -0.181 0.000 1.013 112 F HN 0.213 nan 8.300 nan 0.000 0.486 113 Y N 0.475 120.808 120.300 0.055 0.000 2.181 113 Y HA -0.208 4.342 4.550 -0.001 0.000 0.288 113 Y C 1.978 177.910 175.900 0.052 0.000 1.146 113 Y CA 1.475 59.582 58.100 0.012 0.000 1.164 113 Y CB -0.509 37.907 38.460 -0.073 0.000 0.982 113 Y HN -0.001 nan 8.280 nan 0.000 0.515 114 L N -0.561 120.719 121.223 0.094 0.000 2.456 114 L HA -0.067 4.271 4.340 -0.002 0.000 0.224 114 L C 1.962 178.982 176.870 0.250 0.000 1.148 114 L CA 1.089 55.988 54.840 0.099 0.000 0.825 114 L CB -0.513 41.609 42.059 0.106 0.000 0.937 114 L HN 0.451 nan 8.230 nan 0.000 0.450 115 G N -1.521 107.409 108.800 0.216 0.000 3.324 115 G HA2 0.081 4.040 3.960 -0.002 0.000 0.251 115 G HA3 0.081 4.040 3.960 -0.002 0.000 0.251 115 G C 0.369 175.180 174.900 -0.147 0.000 1.072 115 G CA 0.293 45.342 45.100 -0.085 0.000 0.787 115 G HN 0.319 nan 8.290 nan 0.000 0.537 116 S N -0.357 115.274 115.700 -0.115 0.000 2.681 116 S HA 0.838 5.307 4.470 -0.002 0.000 0.299 116 S C -0.341 174.185 174.600 -0.124 0.000 1.113 116 S CA -0.700 57.439 58.200 -0.101 0.000 1.013 116 S CB 2.063 65.230 63.200 -0.054 0.000 1.076 116 S HN 0.035 nan 8.310 nan 0.000 0.534 117 L N 0.181 121.358 121.223 -0.076 0.000 2.211 117 L HA 0.485 4.824 4.340 -0.002 0.000 0.259 117 L C 1.310 178.161 176.870 -0.031 0.000 1.031 117 L CA -0.981 53.825 54.840 -0.058 0.000 0.877 117 L CB 0.604 42.637 42.059 -0.043 0.000 1.457 117 L HN 0.685 nan 8.230 nan 0.000 0.466 118 D N 0.580 120.971 120.400 -0.015 0.000 2.268 118 D HA -0.184 4.455 4.640 -0.002 0.000 0.189 118 D C -0.848 175.462 176.300 0.016 0.000 1.010 118 D CA 2.338 56.342 54.000 0.006 0.000 0.862 118 D CB -0.772 40.032 40.800 0.008 0.000 0.943 118 D HN 0.317 nan 8.370 nan 0.000 0.451 119 P HA -0.022 nan 4.420 nan 0.000 0.215 119 P C 1.446 178.757 177.300 0.018 0.000 1.157 119 P CA 1.722 64.830 63.100 0.012 0.000 0.859 119 P CB -0.182 31.520 31.700 0.004 0.000 0.786 120 T N -0.665 113.896 114.554 0.012 0.000 2.904 120 T HA 0.017 4.366 4.350 -0.002 0.000 0.267 120 T C 1.897 176.628 174.700 0.052 0.000 1.059 120 T CA 1.260 63.373 62.100 0.020 0.000 1.137 120 T CB -0.793 68.082 68.868 0.011 0.000 0.879 120 T HN 0.020 nan 8.240 nan 0.000 0.467 121 A N 2.062 124.905 122.820 0.039 0.000 1.902 121 A HA -0.119 4.200 4.320 -0.002 0.000 0.217 121 A C 2.566 180.281 177.584 0.218 0.000 1.181 121 A CA 2.150 54.232 52.037 0.076 0.000 0.623 121 A CB -0.854 18.125 19.000 -0.037 0.000 0.818 121 A HN 0.600 nan 8.150 nan 0.000 0.443 122 S N -0.673 115.105 115.700 0.130 0.000 2.406 122 S HA -0.177 4.292 4.470 -0.002 0.000 0.228 122 S C 1.948 176.593 174.600 0.076 0.000 1.020 122 S CA 1.229 59.496 58.200 0.112 0.000 0.965 122 S CB -0.391 62.853 63.200 0.074 0.000 0.798 122 S HN 0.682 nan 8.310 nan 0.000 0.488 123 Q N 1.032 120.869 119.800 0.061 0.000 1.994 123 Q HA 0.147 4.486 4.340 -0.002 0.000 0.198 123 Q C 2.301 178.315 176.000 0.022 0.000 0.976 123 Q CA 1.402 57.223 55.803 0.030 0.000 0.828 123 Q CB -0.456 28.292 28.738 0.017 0.000 0.894 123 Q HN 0.454 nan 8.270 nan 0.000 0.432 124 L N 0.809 122.061 121.223 0.049 0.000 2.089 124 L HA -0.316 4.023 4.340 -0.002 0.000 0.213 124 L C 2.698 179.545 176.870 -0.038 0.000 1.079 124 L CA 1.528 56.385 54.840 0.028 0.000 0.758 124 L CB -0.376 41.752 42.059 0.114 0.000 0.891 124 L HN 0.395 nan 8.230 nan 0.000 0.433 125 Q N -0.405 119.380 119.800 -0.025 0.000 2.084 125 Q HA -0.186 4.153 4.340 -0.002 0.000 0.202 125 Q C 2.179 178.103 176.000 -0.128 0.000 0.978 125 Q CA 1.884 57.584 55.803 -0.171 0.000 0.844 125 Q CB 0.062 28.731 28.738 -0.116 0.000 0.898 125 Q HN 0.360 nan 8.270 nan 0.000 0.426 126 V N 1.004 120.883 119.914 -0.058 0.000 2.427 126 V HA -0.221 3.898 4.120 -0.002 0.000 0.248 126 V C 2.266 178.332 176.094 -0.047 0.000 1.051 126 V CA 1.330 63.601 62.300 -0.049 0.000 1.048 126 V CB -0.626 31.187 31.823 -0.017 0.000 0.666 126 V HN 0.443 nan 8.190 nan 0.000 0.456 127 L N 0.115 121.313 121.223 -0.041 0.000 2.042 127 L HA -0.134 4.205 4.340 -0.002 0.000 0.210 127 L C 2.007 178.859 176.870 -0.029 0.000 1.076 127 L CA 1.959 56.780 54.840 -0.032 0.000 0.749 127 L CB -0.605 41.430 42.059 -0.041 0.000 0.893 127 L HN 0.250 nan 8.230 nan 0.000 0.432 128 L N -0.675 120.507 121.223 -0.068 0.000 2.610 128 L HA 0.152 4.491 4.340 -0.002 0.000 0.232 128 L C 1.764 178.608 176.870 -0.043 0.000 1.149 128 L CA 0.624 55.445 54.840 -0.033 0.000 0.872 128 L CB -0.790 41.174 42.059 -0.158 0.000 0.992 128 L HN 0.628 nan 8.230 nan 0.000 0.447 129 G N -0.706 108.040 108.800 -0.089 0.000 2.284 129 G HA2 -0.262 3.697 3.960 -0.002 0.000 0.230 129 G HA3 -0.262 3.697 3.960 -0.002 0.000 0.230 129 G C 0.349 175.078 174.900 -0.285 0.000 1.021 129 G CA -0.017 45.006 45.100 -0.128 0.000 0.619 129 G HN 0.067 nan 8.290 nan 0.000 0.510 130 V N 3.490 123.175 119.914 -0.382 0.000 2.508 130 V HA 0.401 4.520 4.120 -0.002 0.000 0.281 130 V C -1.406 174.560 176.094 -0.212 0.000 1.041 130 V CA -0.981 61.008 62.300 -0.519 0.000 1.016 130 V CB 1.048 32.543 31.823 -0.547 0.000 0.984 130 V HN 0.194 nan 8.190 nan 0.000 0.478 131 P HA 0.231 nan 4.420 nan 0.000 0.269 131 P C -0.738 176.611 177.300 0.083 0.000 1.209 131 P CA 0.020 63.132 63.100 0.021 0.000 0.776 131 P CB 0.654 32.399 31.700 0.075 0.000 0.876 132 V N 3.256 123.204 119.914 0.057 0.000 2.680 132 V HA 0.379 4.498 4.120 -0.002 0.000 0.309 132 V C 0.090 176.212 176.094 0.046 0.000 1.052 132 V CA -0.693 61.649 62.300 0.070 0.000 0.908 132 V CB 2.061 33.925 31.823 0.068 0.000 1.001 132 V HN 0.375 nan 8.190 nan 0.000 0.431 133 K N 2.584 123.008 120.400 0.039 0.000 2.293 133 K HA 0.387 4.706 4.320 -0.002 0.000 0.267 133 K C -0.390 176.231 176.600 0.034 0.000 1.010 133 K CA -0.411 55.892 56.287 0.026 0.000 0.875 133 K CB 1.530 34.035 32.500 0.008 0.000 1.106 133 K HN 0.671 nan 8.250 nan 0.000 0.450 134 E N 1.648 121.866 120.200 0.030 0.000 1.833 134 E HA 0.009 4.358 4.350 -0.002 0.000 0.258 134 E C 0.783 177.398 176.600 0.026 0.000 1.257 134 E CA 0.067 56.486 56.400 0.031 0.000 1.003 134 E CB 0.140 29.855 29.700 0.025 0.000 1.068 134 E HN 1.000 nan 8.360 nan 0.000 0.422 135 G N 3.254 112.072 108.800 0.030 0.000 3.134 135 G HA2 -0.190 3.769 3.960 -0.002 0.000 0.195 135 G HA3 -0.190 3.769 3.960 -0.002 0.000 0.195 135 G C 0.037 174.953 174.900 0.026 0.000 1.054 135 G CA -0.570 44.544 45.100 0.024 0.000 0.828 135 G HN 0.504 nan 8.290 nan 0.000 0.462 136 D N 0.790 121.208 120.400 0.029 0.000 2.341 136 D HA 0.360 4.999 4.640 -0.002 0.000 0.245 136 D C 1.771 178.104 176.300 0.056 0.000 1.106 136 D CA 0.354 54.372 54.000 0.029 0.000 0.905 136 D CB 1.587 42.394 40.800 0.012 0.000 1.202 136 D HN 0.486 nan 8.370 nan 0.000 0.426 137 c N 1.301 119.936 118.600 0.060 0.000 2.611 137 c HA 0.094 4.663 4.570 -0.002 0.000 0.282 137 c C 2.178 176.375 174.090 0.178 0.000 1.321 137 c CA 0.683 57.072 56.329 0.100 0.000 1.747 137 c CB -0.887 41.645 42.510 0.037 0.000 2.124 137 c HN 0.715 nan 8.230 nan 0.000 0.531 138 T N 0.521 115.142 114.554 0.112 0.000 3.148 138 T HA 0.045 4.394 4.350 -0.002 0.000 0.253 138 T C 1.364 176.052 174.700 -0.021 0.000 1.134 138 T CA 1.396 63.566 62.100 0.116 0.000 1.051 138 T CB -0.678 68.222 68.868 0.054 0.000 0.959 138 T HN 0.788 nan 8.240 nan 0.000 0.525 139 S N 0.049 115.741 115.700 -0.012 0.000 2.557 139 S HA 0.389 4.858 4.470 -0.002 0.000 0.223 139 S C 0.576 175.335 174.600 0.265 0.000 0.969 139 S CA -0.874 57.256 58.200 -0.116 0.000 0.927 139 S CB 0.050 63.202 63.200 -0.080 0.000 0.806 139 S HN 0.233 nan 8.310 nan 0.000 0.489 140 R N 1.222 121.925 120.500 0.338 0.000 2.486 140 R HA 0.484 4.823 4.340 -0.002 0.000 0.286 140 R C -0.337 176.081 176.300 0.197 0.000 0.999 140 R CA -0.828 55.471 56.100 0.332 0.000 0.993 140 R CB 0.640 31.197 30.300 0.428 0.000 1.084 140 R HN 0.319 nan 8.270 nan 0.000 0.487 141 L N 1.830 123.034 121.223 -0.031 0.000 2.453 141 L HA 0.030 4.369 4.340 -0.002 0.000 0.272 141 L C 0.764 177.348 176.870 -0.476 0.000 1.182 141 L CA 0.155 54.795 54.840 -0.334 0.000 0.858 141 L CB 0.336 42.009 42.059 -0.643 0.000 1.120 141 L HN 0.368 nan 8.230 nan 0.000 0.474 142 D N 2.454 122.485 120.400 -0.614 0.000 2.347 142 D HA 0.108 4.747 4.640 -0.002 0.000 0.235 142 D C 0.944 177.150 176.300 -0.157 0.000 1.149 142 D CA -0.013 53.620 54.000 -0.612 0.000 0.850 142 D CB 1.900 42.443 40.800 -0.429 0.000 1.061 142 D HN 0.649 nan 8.370 nan 0.000 0.487 143 G N 2.889 111.718 108.800 0.047 0.000 2.422 143 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.218 143 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.218 143 G C 1.383 176.318 174.900 0.058 0.000 1.146 143 G CA 0.778 45.933 45.100 0.092 0.000 0.769 143 G HN 0.642 nan 8.290 nan 0.000 0.547 144 H N 0.580 119.663 119.070 0.022 0.000 2.357 144 H HA 0.092 4.647 4.556 -0.002 0.000 0.301 144 H C 2.573 177.911 175.328 0.017 0.000 1.082 144 H CA 1.720 57.782 56.048 0.024 0.000 1.342 144 H CB 0.050 29.842 29.762 0.051 0.000 1.389 144 H HN 0.275 nan 8.280 nan 0.000 0.511 145 K N -0.471 119.979 120.400 0.083 0.000 2.063 145 K HA -0.114 4.205 4.320 -0.002 0.000 0.208 145 K C 2.189 178.770 176.600 -0.032 0.000 1.048 145 K CA 1.448 57.747 56.287 0.021 0.000 0.928 145 K CB -0.106 32.411 32.500 0.029 0.000 0.713 145 K HN 0.126 nan 8.250 nan 0.000 0.442 146 V N 1.894 121.779 119.914 -0.048 0.000 2.343 146 V HA -0.230 3.889 4.120 -0.002 0.000 0.247 146 V C 2.234 178.318 176.094 -0.017 0.000 1.051 146 V CA 1.567 63.847 62.300 -0.033 0.000 1.036 146 V CB -0.399 31.377 31.823 -0.078 0.000 0.654 146 V HN 0.282 nan 8.190 nan 0.000 0.451 147 L N 0.363 121.546 121.223 -0.067 0.000 2.056 147 L HA -0.154 4.185 4.340 -0.002 0.000 0.207 147 L C 2.833 179.685 176.870 -0.030 0.000 1.078 147 L CA 2.060 56.871 54.840 -0.049 0.000 0.749 147 L CB -1.109 40.900 42.059 -0.085 0.000 0.901 147 L HN 0.580 nan 8.230 nan 0.000 0.433 148 T N -2.137 112.347 114.554 -0.118 0.000 2.708 148 T HA -0.152 4.197 4.350 -0.002 0.000 0.266 148 T C 1.997 176.689 174.700 -0.013 0.000 1.037 148 T CA 0.958 63.007 62.100 -0.084 0.000 1.146 148 T CB -0.538 68.253 68.868 -0.128 0.000 0.865 148 T HN 0.308 nan 8.240 nan 0.000 0.435 149 A N 1.387 124.202 122.820 -0.008 0.000 1.940 149 A HA 0.044 4.362 4.320 -0.002 0.000 0.219 149 A C 2.314 179.915 177.584 0.028 0.000 1.176 149 A CA 1.603 53.646 52.037 0.009 0.000 0.631 149 A CB -0.942 18.060 19.000 0.003 0.000 0.814 149 A HN 0.452 nan 8.150 nan 0.000 0.446 150 L N -0.583 120.675 121.223 0.058 0.000 2.217 150 L HA -0.094 4.245 4.340 -0.002 0.000 0.211 150 L C 2.426 179.368 176.870 0.122 0.000 1.107 150 L CA 2.094 56.996 54.840 0.105 0.000 0.783 150 L CB -0.432 41.736 42.059 0.181 0.000 0.919 150 L HN 0.590 nan 8.230 nan 0.000 0.442 151 Q N -1.088 118.771 119.800 0.099 0.000 2.172 151 Q HA -0.140 4.199 4.340 -0.002 0.000 0.200 151 Q C 2.106 178.148 176.000 0.070 0.000 0.964 151 Q CA 1.134 56.992 55.803 0.090 0.000 0.855 151 Q CB -0.006 28.768 28.738 0.060 0.000 0.918 151 Q HN 0.621 nan 8.270 nan 0.000 0.444 152 A N -0.028 122.822 122.820 0.051 0.000 1.902 152 A HA -0.136 4.183 4.320 -0.002 0.000 0.217 152 A C 2.151 179.770 177.584 0.058 0.000 1.181 152 A CA 1.507 53.570 52.037 0.042 0.000 0.623 152 A CB -0.652 18.364 19.000 0.025 0.000 0.818 152 A HN 0.284 nan 8.150 nan 0.000 0.443 153 V N -0.081 119.875 119.914 0.070 0.000 2.343 153 V HA -0.315 3.804 4.120 -0.002 0.000 0.247 153 V C 2.606 178.836 176.094 0.227 0.000 1.051 153 V CA 2.200 64.565 62.300 0.108 0.000 1.036 153 V CB -0.995 30.850 31.823 0.038 0.000 0.654 153 V HN 0.629 nan 8.190 nan 0.000 0.451 154 Q N 0.137 120.055 119.800 0.197 0.000 2.124 154 Q HA -0.132 4.207 4.340 -0.002 0.000 0.202 154 Q C 2.410 178.471 176.000 0.101 0.000 0.977 154 Q CA 1.656 57.573 55.803 0.189 0.000 0.850 154 Q CB -0.526 28.305 28.738 0.155 0.000 0.901 154 Q HN 0.729 nan 8.270 nan 0.000 0.429 155 G N 0.909 109.756 108.800 0.078 0.000 2.418 155 G HA2 -0.213 3.746 3.960 -0.002 0.000 0.217 155 G HA3 -0.213 3.746 3.960 -0.002 0.000 0.217 155 G C 1.368 176.285 174.900 0.029 0.000 1.158 155 G CA 0.436 45.563 45.100 0.046 0.000 0.771 155 G HN 0.188 nan 8.290 nan 0.000 0.545 156 L N -0.100 121.144 121.223 0.036 0.000 2.275 156 L HA 0.022 4.361 4.340 -0.002 0.000 0.215 156 L C 2.564 179.423 176.870 -0.018 0.000 1.119 156 L CA 0.054 54.904 54.840 0.017 0.000 0.790 156 L CB -0.268 41.807 42.059 0.027 0.000 0.919 156 L HN 0.197 nan 8.230 nan 0.000 0.443 157 L N 0.347 121.530 121.223 -0.065 0.000 2.141 157 L HA -0.053 4.286 4.340 -0.002 0.000 0.209 157 L C 1.327 178.167 176.870 -0.051 0.000 1.094 157 L CA 1.460 56.194 54.840 -0.177 0.000 0.763 157 L CB -0.059 41.732 42.059 -0.447 0.000 0.908 157 L HN 0.150 nan 8.230 nan 0.000 0.437 158 V N -1.895 118.008 119.914 -0.018 0.000 2.699 158 V HA 0.525 4.644 4.120 -0.002 0.000 0.311 158 V C -0.058 176.031 176.094 -0.007 0.000 1.160 158 V CA 0.258 62.552 62.300 -0.009 0.000 1.313 158 V CB -0.695 31.124 31.823 -0.007 0.000 1.553 158 V HN 0.421 nan 8.190 nan 0.000 0.630 169 L N 1.387 122.522 121.223 -0.146 0.000 2.516 169 L HA 0.494 4.833 4.340 -0.002 0.000 0.267 169 L C -1.182 175.520 176.870 -0.279 0.000 0.957 169 L CA -0.237 54.453 54.840 -0.250 0.000 0.860 169 L CB 2.126 44.125 42.059 -0.100 0.000 1.265 169 L HN 0.362 nan 8.230 nan 0.000 0.403 170 L N 3.010 123.951 121.223 -0.470 0.000 2.322 170 L HA 0.663 5.002 4.340 -0.002 0.000 0.281 170 L C -0.558 176.072 176.870 -0.400 0.000 1.014 170 L CA -0.573 54.041 54.840 -0.377 0.000 0.815 170 L CB 1.929 43.742 42.059 -0.410 0.000 1.247 170 L HN 0.669 nan 8.230 nan 0.000 0.421 171 Q N 2.633 122.344 119.800 -0.147 0.000 2.533 171 Q HA 0.345 4.684 4.340 -0.002 0.000 0.251 171 Q C -1.556 174.479 176.000 0.059 0.000 0.966 171 Q CA -0.176 55.635 55.803 0.013 0.000 0.714 171 Q CB 1.695 30.535 28.738 0.169 0.000 1.284 171 Q HN 0.547 nan 8.270 nan 0.000 0.478 172 S N 1.993 117.735 115.700 0.070 0.000 2.489 172 S HA 0.739 5.208 4.470 -0.002 0.000 0.291 172 S C -0.769 174.016 174.600 0.308 0.000 1.151 172 S CA -0.430 57.910 58.200 0.232 0.000 1.082 172 S CB 1.312 64.788 63.200 0.459 0.000 1.019 172 S HN 0.629 nan 8.310 nan 0.000 0.492 173 T N -0.191 114.517 114.554 0.256 0.000 2.906 173 T HA 0.580 4.929 4.350 -0.002 0.000 0.302 173 T C -0.447 174.354 174.700 0.168 0.000 1.002 173 T CA -0.817 61.413 62.100 0.215 0.000 0.988 173 T CB 0.468 69.341 68.868 0.009 0.000 0.972 173 T HN 0.506 nan 8.240 nan 0.000 0.447 174 V N 1.733 121.821 119.914 0.290 0.000 2.547 174 V HA 0.917 5.036 4.120 -0.002 0.000 0.299 174 V C -0.648 175.601 176.094 0.258 0.000 1.040 174 V CA -0.777 61.656 62.300 0.221 0.000 0.913 174 V CB 1.627 33.517 31.823 0.111 0.000 0.992 174 V HN 0.766 nan 8.190 nan 0.000 0.449 175 V N 4.490 124.516 119.914 0.187 0.000 2.459 175 V HA 0.750 4.869 4.120 -0.002 0.000 0.295 175 V C 0.883 177.035 176.094 0.097 0.000 1.029 175 V CA 0.216 62.577 62.300 0.101 0.000 0.874 175 V CB 1.570 33.352 31.823 -0.067 0.000 0.985 175 V HN 1.230 nan 8.190 nan 0.000 0.438 176 G N 4.230 113.079 108.800 0.081 0.000 2.428 176 G HA2 0.529 4.488 3.960 -0.002 0.000 0.320 176 G HA3 0.529 4.488 3.960 -0.002 0.000 0.320 176 G C -0.967 173.565 174.900 -0.614 0.000 1.098 176 G CA -0.354 44.578 45.100 -0.279 0.000 0.984 176 G HN 0.514 nan 8.290 nan 0.000 0.444 177 L N 3.945 124.793 121.223 -0.625 0.000 2.314 177 L HA 0.553 4.892 4.340 -0.002 0.000 0.275 177 L C -1.034 175.603 176.870 -0.388 0.000 1.068 177 L CA -1.073 53.549 54.840 -0.365 0.000 0.894 177 L CB -0.365 41.598 42.059 -0.160 0.000 1.275 177 L HN 0.324 nan 8.230 nan 0.000 0.432 178 F N 2.114 122.112 119.950 0.080 0.000 2.410 178 F HA 0.622 5.148 4.527 -0.002 0.000 0.349 178 F C 0.913 176.705 175.800 -0.013 0.000 1.117 178 F CA -0.535 57.461 58.000 -0.006 0.000 1.104 178 F CB 1.492 40.464 39.000 -0.047 0.000 1.122 178 F HN 0.432 nan 8.300 nan 0.000 0.483 179 T N -0.093 114.511 114.554 0.083 0.000 2.908 179 T HA 0.841 5.190 4.350 -0.002 0.000 0.290 179 T C -0.289 174.397 174.700 -0.025 0.000 1.034 179 T CA -1.093 61.019 62.100 0.020 0.000 1.010 179 T CB 1.693 70.537 68.868 -0.040 0.000 1.068 179 T HN 0.778 nan 8.240 nan 0.000 0.481 180 A N 2.751 125.556 122.820 -0.026 0.000 2.407 180 A HA 0.623 4.942 4.320 -0.002 0.000 0.248 180 A C -2.441 175.115 177.584 -0.047 0.000 1.082 180 A CA -1.418 50.593 52.037 -0.042 0.000 0.785 180 A CB -0.748 18.238 19.000 -0.022 0.000 1.020 180 A HN 0.708 nan 8.150 nan 0.000 0.489 181 P HA 0.386 nan 4.420 nan 0.000 0.276 181 P C 0.905 178.179 177.300 -0.043 0.000 1.230 181 P CA 1.233 64.305 63.100 -0.047 0.000 0.776 181 P CB 1.080 32.755 31.700 -0.042 0.000 0.888 182 G N 1.789 110.560 108.800 -0.050 0.000 2.258 182 G HA2 -0.242 3.717 3.960 -0.002 0.000 0.233 182 G HA3 -0.242 3.717 3.960 -0.002 0.000 0.233 182 G C -0.219 174.647 174.900 -0.057 0.000 1.006 182 G CA -0.152 44.920 45.100 -0.046 0.000 0.620 182 G HN 0.614 nan 8.290 nan 0.000 0.511 183 L N 2.662 123.846 121.223 -0.065 0.000 2.410 183 L HA 0.626 4.965 4.340 -0.002 0.000 0.273 183 L C 0.723 177.515 176.870 -0.131 0.000 1.144 183 L CA -0.215 54.577 54.840 -0.080 0.000 0.863 183 L CB 0.297 42.317 42.059 -0.065 0.000 1.140 183 L HN 0.303 nan 8.230 nan 0.000 0.463 184 R N 5.616 126.032 120.500 -0.139 0.000 2.407 184 R HA 0.535 4.874 4.340 -0.002 0.000 0.303 184 R C -0.941 175.211 176.300 -0.247 0.000 0.981 184 R CA -0.847 55.126 56.100 -0.212 0.000 0.905 184 R CB 1.144 31.366 30.300 -0.131 0.000 1.099 184 R HN 0.615 nan 8.270 nan 0.000 0.459 185 L N 2.478 123.427 121.223 -0.457 0.000 2.357 185 L HA 0.359 4.698 4.340 -0.002 0.000 0.273 185 L C 0.234 177.066 176.870 -0.064 0.000 1.080 185 L CA -0.629 54.026 54.840 -0.308 0.000 0.803 185 L CB 1.093 42.928 42.059 -0.373 0.000 1.174 185 L HN 0.358 nan 8.230 nan 0.000 0.443 186 K N 1.600 122.067 120.400 0.112 0.000 2.276 186 K HA 0.121 4.440 4.320 -0.002 0.000 0.283 186 K C 0.618 177.443 176.600 0.375 0.000 1.044 186 K CA -0.202 56.212 56.287 0.211 0.000 0.944 186 K CB 1.266 33.842 32.500 0.126 0.000 1.012 186 K HN 0.519 nan 8.250 nan 0.000 0.472 187 Q N 2.321 122.321 119.800 0.333 0.000 2.084 187 Q HA -0.144 4.195 4.340 -0.002 0.000 0.202 187 Q C -0.960 175.112 176.000 0.119 0.000 0.978 187 Q CA 1.484 57.401 55.803 0.189 0.000 0.844 187 Q CB -0.629 28.135 28.738 0.042 0.000 0.898 187 Q HN 0.481 nan 8.270 nan 0.000 0.426 188 P HA -0.199 nan 4.420 nan 0.000 0.215 188 P C 0.952 178.325 177.300 0.121 0.000 1.153 188 P CA 1.040 64.194 63.100 0.090 0.000 0.853 188 P CB -0.137 31.615 31.700 0.087 0.000 0.788 189 F N 0.556 120.539 119.950 0.055 0.000 2.051 189 F HA -0.211 4.315 4.527 -0.002 0.000 0.296 189 F C 2.014 177.858 175.800 0.073 0.000 1.122 189 F CA 1.489 59.521 58.000 0.053 0.000 1.201 189 F CB -1.099 37.927 39.000 0.043 0.000 0.978 189 F HN -0.324 nan 8.300 nan 0.000 0.472 190 V N 1.061 121.005 119.914 0.049 0.000 2.380 190 V HA -0.319 3.800 4.120 -0.002 0.000 0.251 190 V C 2.480 178.493 176.094 -0.135 0.000 1.063 190 V CA 2.275 64.541 62.300 -0.056 0.000 1.055 190 V CB -0.786 31.148 31.823 0.186 0.000 0.657 190 V HN 0.395 nan 8.190 nan 0.000 0.455 191 E N 0.344 120.497 120.200 -0.079 0.000 2.051 191 E HA -0.158 4.191 4.350 -0.002 0.000 0.192 191 E C 2.445 179.019 176.600 -0.042 0.000 0.991 191 E CA 1.562 57.926 56.400 -0.061 0.000 0.799 191 E CB -0.476 29.201 29.700 -0.038 0.000 0.748 191 E HN 0.661 nan 8.360 nan 0.000 0.449 192 S N 1.525 117.185 115.700 -0.067 0.000 2.400 192 S HA -0.164 4.305 4.470 -0.002 0.000 0.234 192 S C 2.006 176.596 174.600 -0.016 0.000 1.049 192 S CA 1.014 59.213 58.200 -0.001 0.000 1.039 192 S CB -0.335 62.823 63.200 -0.071 0.000 0.856 192 S HN 0.247 nan 8.310 nan 0.000 0.465 193 L N 1.321 122.462 121.223 -0.137 0.000 2.599 193 L HA 0.122 4.461 4.340 -0.002 0.000 0.230 193 L C 2.505 179.409 176.870 0.056 0.000 1.141 193 L CA 0.250 55.059 54.840 -0.052 0.000 0.877 193 L CB -1.153 40.851 42.059 -0.092 0.000 1.009 193 L HN 0.378 nan 8.230 nan 0.000 0.447 194 G N 1.931 110.746 108.800 0.025 0.000 2.529 194 G HA2 -0.227 3.732 3.960 -0.002 0.000 0.219 194 G HA3 -0.227 3.732 3.960 -0.002 0.000 0.219 194 G C -0.577 174.351 174.900 0.046 0.000 1.177 194 G CA 0.813 45.930 45.100 0.028 0.000 0.773 194 G HN 0.336 nan 8.290 nan 0.000 0.573 195 P HA -0.122 nan 4.420 nan 0.000 0.215 195 P C 1.634 179.008 177.300 0.123 0.000 1.153 195 P CA 0.661 63.772 63.100 0.018 0.000 0.853 195 P CB -0.150 31.489 31.700 -0.101 0.000 0.788 196 F N 0.104 120.044 119.950 -0.017 0.000 2.063 196 F HA -0.108 4.418 4.527 -0.002 0.000 0.298 196 F C 0.905 176.740 175.800 0.058 0.000 1.109 196 F CA 1.853 59.872 58.000 0.032 0.000 1.212 196 F CB -0.754 38.276 39.000 0.049 0.000 0.973 196 F HN -0.041 nan 8.300 nan 0.000 0.480 197 T N -0.840 113.721 114.554 0.012 0.000 3.087 197 T HA 0.271 4.620 4.350 -0.002 0.000 0.351 197 T C -2.453 172.229 174.700 -0.031 0.000 1.520 197 T CA -0.829 61.227 62.100 -0.074 0.000 1.111 197 T CB 1.770 70.523 68.868 -0.192 0.000 1.353 197 T HN -0.150 nan 8.240 nan 0.000 0.481 198 P HA 0.250 nan 4.420 nan 0.000 0.241 198 P C 0.373 177.606 177.300 -0.112 0.000 1.191 198 P CA 0.083 63.147 63.100 -0.059 0.000 0.771 198 P CB 0.033 31.710 31.700 -0.037 0.000 0.929 199 A N 0.789 123.577 122.820 -0.053 0.000 3.202 199 A HA 0.372 4.691 4.320 -0.002 0.000 0.258 199 A C 0.357 177.940 177.584 -0.001 0.000 1.572 199 A CA -0.459 51.578 52.037 0.001 0.000 1.241 199 A CB -1.337 17.795 19.000 0.220 0.000 1.127 199 A HN 0.102 nan 8.150 nan 0.000 0.648 200 I N 0.128 120.547 120.570 -0.253 0.000 2.359 200 I HA 0.392 4.561 4.170 -0.002 0.000 0.294 200 I C -0.976 174.901 176.117 -0.400 0.000 0.987 200 I CA -0.388 60.816 61.300 -0.159 0.000 1.225 200 I CB 1.428 39.361 38.000 -0.112 0.000 1.366 200 I HN 0.388 nan 8.210 nan 0.000 0.466 201 F N 6.842 126.744 119.950 -0.081 0.000 2.646 201 F HA 0.362 4.888 4.527 -0.002 0.000 0.364 201 F C -2.364 173.299 175.800 -0.228 0.000 1.137 201 F CA -2.209 55.741 58.000 -0.083 0.000 1.085 201 F CB 1.206 40.243 39.000 0.063 0.000 1.331 201 F HN 0.198 nan 8.300 nan 0.000 0.472 202 P HA 0.266 nan 4.420 nan 0.000 0.276 202 P C -0.537 176.701 177.300 -0.103 0.000 1.253 202 P CA -0.232 62.836 63.100 -0.053 0.000 0.766 202 P CB 0.772 32.559 31.700 0.145 0.000 0.845 203 R N 1.466 121.844 120.500 -0.202 0.000 2.698 203 R HA 0.493 4.832 4.340 -0.002 0.000 0.275 203 R C -0.546 175.724 176.300 -0.050 0.000 1.001 203 R CA -0.714 55.290 56.100 -0.160 0.000 0.896 203 R CB 2.027 32.138 30.300 -0.316 0.000 1.218 203 R HN 0.452 nan 8.270 nan 0.000 0.462 204 S N 2.558 118.226 115.700 -0.052 0.000 2.462 204 S HA 0.809 5.278 4.470 -0.002 0.000 0.294 204 S C 0.258 174.831 174.600 -0.044 0.000 1.144 204 S CA -0.810 57.365 58.200 -0.042 0.000 1.088 204 S CB 1.156 64.323 63.200 -0.055 0.000 1.009 204 S HN 0.581 nan 8.310 nan 0.000 0.484 205 L N -1.182 120.006 121.223 -0.058 0.000 2.568 205 L HA 0.740 5.079 4.340 -0.002 0.000 0.257 205 L C -2.014 174.795 176.870 -0.101 0.000 1.024 205 L CA -1.168 53.621 54.840 -0.086 0.000 0.854 205 L CB 1.392 43.380 42.059 -0.119 0.000 1.460 205 L HN 0.304 nan 8.230 nan 0.000 0.409 206 D N 2.124 122.469 120.400 -0.092 0.000 2.358 206 D HA 0.336 4.975 4.640 -0.002 0.000 0.258 206 D C 0.673 176.903 176.300 -0.117 0.000 1.223 206 D CA 0.340 54.291 54.000 -0.083 0.000 0.886 206 D CB 1.309 42.074 40.800 -0.058 0.000 1.120 206 D HN 0.507 nan 8.370 nan 0.000 0.482 207 L N 1.576 122.727 121.223 -0.120 0.000 2.640 207 L HA 0.055 4.394 4.340 -0.002 0.000 0.230 207 L C 1.541 178.389 176.870 -0.037 0.000 1.123 207 L CA 0.130 54.885 54.840 -0.143 0.000 0.900 207 L CB 0.064 42.008 42.059 -0.192 0.000 1.146 207 L HN 0.355 nan 8.230 nan 0.000 0.484 208 S N -3.081 112.604 115.700 -0.026 0.000 2.559 208 S HA -0.032 4.437 4.470 -0.002 0.000 0.226 208 S C 1.780 176.376 174.600 -0.006 0.000 1.030 208 S CA 0.383 58.582 58.200 -0.002 0.000 0.956 208 S CB -0.056 63.145 63.200 0.002 0.000 0.900 208 S HN 0.360 nan 8.310 nan 0.000 0.510 209 T N -0.233 114.310 114.554 -0.018 0.000 2.668 209 T HA 0.048 4.397 4.350 -0.002 0.000 0.262 209 T C 0.443 175.138 174.700 -0.009 0.000 1.045 209 T CA 1.387 63.478 62.100 -0.015 0.000 1.152 209 T CB -0.487 68.367 68.868 -0.023 0.000 0.864 209 T HN 0.506 nan 8.240 nan 0.000 0.419 210 D N 0.440 120.832 120.400 -0.012 0.000 2.886 210 D HA 0.205 4.844 4.640 -0.002 0.000 0.216 210 D C -2.392 173.908 176.300 0.001 0.000 1.256 210 D CA -1.578 52.420 54.000 -0.002 0.000 0.844 210 D CB 2.428 43.226 40.800 -0.004 0.000 1.669 210 D HN -0.067 nan 8.370 nan 0.000 0.513 211 P HA -0.056 nan 4.420 nan 0.000 0.216 211 P C 1.635 178.955 177.300 0.034 0.000 1.153 211 P CA 0.517 63.646 63.100 0.048 0.000 0.844 211 P CB 0.604 32.346 31.700 0.070 0.000 0.787 212 V N -0.014 119.912 119.914 0.021 0.000 2.358 212 V HA -0.199 3.920 4.120 -0.002 0.000 0.246 212 V C 2.684 178.777 176.094 -0.002 0.000 1.047 212 V CA 1.457 63.766 62.300 0.014 0.000 1.035 212 V CB -1.299 30.530 31.823 0.011 0.000 0.658 212 V HN -0.043 nan 8.190 nan 0.000 0.452 213 L N 0.619 121.836 121.223 -0.011 0.000 2.046 213 L HA -0.122 4.217 4.340 -0.002 0.000 0.208 213 L C 2.631 179.474 176.870 -0.045 0.000 1.077 213 L CA 2.318 57.144 54.840 -0.024 0.000 0.747 213 L CB -1.422 40.623 42.059 -0.024 0.000 0.896 213 L HN 0.300 nan 8.230 nan 0.000 0.432 214 A N -0.791 121.993 122.820 -0.059 0.000 1.902 214 A HA -0.133 4.186 4.320 -0.002 0.000 0.217 214 A C 2.513 180.028 177.584 -0.114 0.000 1.181 214 A CA 1.723 53.691 52.037 -0.115 0.000 0.623 214 A CB -0.914 17.992 19.000 -0.157 0.000 0.818 214 A HN 0.389 nan 8.150 nan 0.000 0.443 215 A N -1.059 121.735 122.820 -0.043 0.000 1.883 215 A HA -0.250 4.069 4.320 -0.002 0.000 0.217 215 A C 2.112 179.676 177.584 -0.032 0.000 1.186 215 A CA 2.135 54.165 52.037 -0.011 0.000 0.624 215 A CB -0.549 18.470 19.000 0.031 0.000 0.822 215 A HN 0.494 nan 8.150 nan 0.000 0.444 216 Q N -0.377 119.405 119.800 -0.029 0.000 2.224 216 Q HA -0.043 4.296 4.340 -0.002 0.000 0.203 216 Q C 1.986 177.964 176.000 -0.037 0.000 0.970 216 Q CA 1.527 57.315 55.803 -0.025 0.000 0.865 216 Q CB -0.148 28.580 28.738 -0.017 0.000 0.922 216 Q HN 0.716 nan 8.270 nan 0.000 0.445 217 K N -0.301 120.063 120.400 -0.061 0.000 2.057 217 K HA -0.058 4.260 4.320 -0.002 0.000 0.206 217 K C 1.899 178.457 176.600 -0.070 0.000 1.050 217 K CA 1.120 57.369 56.287 -0.063 0.000 0.935 217 K CB -0.072 32.373 32.500 -0.091 0.000 0.715 217 K HN 0.232 nan 8.250 nan 0.000 0.439 218 I N 1.552 122.017 120.570 -0.175 0.000 2.252 218 I HA -0.271 3.898 4.170 -0.002 0.000 0.245 218 I C 1.996 178.082 176.117 -0.051 0.000 1.102 218 I CA 0.964 62.102 61.300 -0.269 0.000 1.385 218 I CB -0.367 37.317 38.000 -0.527 0.000 1.064 218 I HN 0.213 nan 8.210 nan 0.000 0.414 219 N N 0.909 119.586 118.700 -0.038 0.000 2.120 219 N HA -0.198 4.541 4.740 -0.002 0.000 0.188 219 N C 1.969 177.454 175.510 -0.042 0.000 1.024 219 N CA 1.186 54.223 53.050 -0.021 0.000 0.852 219 N CB -0.329 38.158 38.487 -0.001 0.000 1.003 219 N HN 0.319 nan 8.380 nan 0.000 0.424 220 R N -0.124 120.364 120.500 -0.019 0.000 2.096 220 R HA -0.125 4.214 4.340 -0.002 0.000 0.235 220 R C 2.108 178.398 176.300 -0.016 0.000 1.127 220 R CA 1.022 57.110 56.100 -0.020 0.000 0.968 220 R CB -0.260 30.039 30.300 -0.001 0.000 0.861 220 R HN 0.172 nan 8.270 nan 0.000 0.440 221 F N 0.241 120.123 119.950 -0.113 0.000 2.128 221 F HA -0.102 4.424 4.527 -0.002 0.000 0.295 221 F C 1.814 177.478 175.800 -0.226 0.000 1.100 221 F CA 1.119 59.042 58.000 -0.127 0.000 1.260 221 F CB -0.448 38.528 39.000 -0.040 0.000 1.009 221 F HN -0.234 nan 8.300 nan 0.000 0.476 222 V N 0.687 120.356 119.914 -0.407 0.000 2.295 222 V HA -0.299 3.820 4.120 -0.002 0.000 0.246 222 V C 2.553 178.278 176.094 -0.615 0.000 1.049 222 V CA 2.092 63.993 62.300 -0.665 0.000 1.024 222 V CB -0.859 30.625 31.823 -0.566 0.000 0.648 222 V HN 0.356 nan 8.190 nan 0.000 0.447 223 Q N -0.033 119.542 119.800 -0.374 0.000 2.077 223 Q HA -0.249 4.090 4.340 -0.002 0.000 0.206 223 Q C 2.371 178.164 176.000 -0.345 0.000 0.989 223 Q CA 2.418 58.047 55.803 -0.290 0.000 0.853 223 Q CB -0.695 27.945 28.738 -0.163 0.000 0.907 223 Q HN 0.643 nan 8.270 nan 0.000 0.418 224 A N 0.035 122.638 122.820 -0.363 0.000 1.851 224 A HA -0.180 4.139 4.320 -0.002 0.000 0.216 224 A C 2.220 179.544 177.584 -0.432 0.000 1.195 224 A CA 2.741 54.578 52.037 -0.333 0.000 0.622 224 A CB -1.043 17.793 19.000 -0.274 0.000 0.831 224 A HN 0.358 nan 8.150 nan 0.000 0.444 225 V N -2.059 117.443 119.914 -0.686 0.000 2.446 225 V HA -0.098 4.021 4.120 -0.002 0.000 0.244 225 V C 2.450 178.153 176.094 -0.651 0.000 1.039 225 V CA 2.458 64.345 62.300 -0.687 0.000 1.045 225 V CB -1.634 29.568 31.823 -1.036 0.000 0.681 225 V HN 0.693 nan 8.190 nan 0.000 0.459 226 T N -2.695 111.347 114.554 -0.854 0.000 2.942 226 T HA 0.297 4.646 4.350 -0.002 0.000 0.265 226 T C 2.003 176.173 174.700 -0.882 0.000 1.062 226 T CA 1.757 63.154 62.100 -1.171 0.000 1.139 226 T CB -0.016 67.694 68.868 -1.930 0.000 0.883 226 T HN 1.633 nan 8.240 nan 0.000 0.468 227 G N 0.578 109.050 108.800 -0.547 0.000 2.320 227 G HA2 -0.203 3.756 3.960 -0.002 0.000 0.242 227 G HA3 -0.203 3.756 3.960 -0.002 0.000 0.242 227 G C 0.015 174.847 174.900 -0.113 0.000 1.033 227 G CA 0.009 44.958 45.100 -0.251 0.000 0.620 227 G HN 0.566 nan 8.290 nan 0.000 0.517 228 W N 2.536 123.712 121.300 -0.207 0.000 2.303 228 W HA 0.557 5.216 4.660 -0.002 0.000 0.318 228 W C 0.759 177.184 176.519 -0.156 0.000 1.362 228 W CA -1.453 55.759 57.345 -0.222 0.000 1.234 228 W CB 0.095 29.380 29.460 -0.291 0.000 1.248 228 W HN 0.304 nan 8.180 nan 0.000 0.546 229 K N 4.553 125.003 120.400 0.084 0.000 2.349 229 K HA 0.190 4.509 4.320 -0.002 0.000 0.288 229 K C -0.328 176.323 176.600 0.086 0.000 1.058 229 K CA -0.059 56.255 56.287 0.044 0.000 0.953 229 K CB 0.332 32.845 32.500 0.021 0.000 0.997 229 K HN 0.291 nan 8.250 nan 0.000 0.477 230 M N 4.285 123.942 119.600 0.096 0.000 2.027 230 M HA 0.160 4.639 4.480 -0.002 0.000 0.329 230 M C -0.764 175.600 176.300 0.106 0.000 0.971 230 M CA -0.746 54.638 55.300 0.140 0.000 0.933 230 M CB 0.826 33.570 32.600 0.240 0.000 1.392 230 M HN 0.445 nan 8.290 nan 0.000 0.394 231 N N 3.761 122.510 118.700 0.081 0.000 2.400 231 N HA 0.155 4.894 4.740 -0.002 0.000 0.278 231 N C -1.187 174.368 175.510 0.076 0.000 1.247 231 N CA 0.142 53.230 53.050 0.063 0.000 0.970 231 N CB 0.233 38.748 38.487 0.046 0.000 1.312 231 N HN 0.378 nan 8.380 nan 0.000 0.488 232 L N 4.953 126.224 121.223 0.080 0.000 2.353 232 L HA 0.446 4.785 4.340 -0.002 0.000 0.270 232 L C -1.972 174.937 176.870 0.064 0.000 1.003 232 L CA -2.221 52.670 54.840 0.085 0.000 0.862 232 L CB 0.780 42.913 42.059 0.123 0.000 1.221 232 L HN 0.247 nan 8.230 nan 0.000 0.430 233 P HA 0.299 nan 4.420 nan 0.000 0.287 233 P C -0.558 176.767 177.300 0.041 0.000 1.294 233 P CA -0.663 62.462 63.100 0.041 0.000 0.776 233 P CB 1.253 32.974 31.700 0.034 0.000 0.889 234 L N 2.867 124.115 121.223 0.041 0.000 2.433 234 L HA 0.099 4.438 4.340 -0.002 0.000 0.275 234 L C 1.336 178.221 176.870 0.026 0.000 1.128 234 L CA 0.454 55.317 54.840 0.037 0.000 0.875 234 L CB -0.593 41.498 42.059 0.053 0.000 1.171 234 L HN 0.491 nan 8.230 nan 0.000 0.463 235 E N 3.729 123.939 120.200 0.016 0.000 2.614 235 E HA 0.293 4.642 4.350 -0.002 0.000 0.321 235 E C 0.740 177.344 176.600 0.007 0.000 1.354 235 E CA 0.313 56.719 56.400 0.011 0.000 1.469 235 E CB -0.299 29.405 29.700 0.007 0.000 1.197 235 E HN 0.814 nan 8.360 nan 0.000 0.497 236 G N 0.050 108.859 108.800 0.015 0.000 2.915 236 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.337 236 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.337 236 G C -0.644 174.270 174.900 0.024 0.000 1.477 236 G CA -0.363 44.748 45.100 0.019 0.000 0.916 236 G HN 0.423 nan 8.290 nan 0.000 0.550 237 V N -0.162 119.776 119.914 0.040 0.000 3.120 237 V HA 0.684 4.803 4.120 -0.002 0.000 0.303 237 V C 0.705 176.842 176.094 0.072 0.000 1.238 237 V CA 0.060 62.398 62.300 0.062 0.000 1.008 237 V CB 1.854 33.761 31.823 0.140 0.000 1.064 237 V HN 1.825 nan 8.190 nan 0.000 0.434 238 S N 1.406 117.155 115.700 0.081 0.000 2.589 238 S HA 0.199 4.668 4.470 -0.002 0.000 0.265 238 S C 0.769 175.436 174.600 0.111 0.000 1.342 238 S CA 0.926 59.176 58.200 0.083 0.000 1.005 238 S CB 1.226 64.472 63.200 0.078 0.000 0.909 238 S HN 1.073 nan 8.310 nan 0.000 0.555 239 T N 0.071 114.671 114.554 0.077 0.000 3.145 239 T HA 0.225 4.574 4.350 -0.002 0.000 0.281 239 T C 0.050 174.782 174.700 0.054 0.000 1.003 239 T CA 0.149 62.287 62.100 0.063 0.000 0.901 239 T CB -0.349 68.542 68.868 0.039 0.000 1.112 239 T HN 0.768 nan 8.240 nan 0.000 0.535 240 D N -0.119 120.321 120.400 0.066 0.000 2.563 240 D HA 0.189 4.828 4.640 -0.002 0.000 0.237 240 D C -0.101 176.246 176.300 0.078 0.000 1.282 240 D CA -0.278 53.756 54.000 0.055 0.000 0.816 240 D CB 0.096 40.919 40.800 0.039 0.000 1.066 240 D HN 0.147 nan 8.370 nan 0.000 0.501 241 S N 0.057 115.834 115.700 0.129 0.000 2.580 241 S HA 0.341 4.810 4.470 -0.002 0.000 0.274 241 S C 1.270 175.956 174.600 0.143 0.000 1.329 241 S CA -0.014 58.299 58.200 0.189 0.000 1.036 241 S CB 1.531 64.969 63.200 0.396 0.000 0.919 241 S HN 0.429 nan 8.310 nan 0.000 0.515 242 T N -0.765 113.873 114.554 0.141 0.000 3.043 242 T HA 0.366 4.715 4.350 -0.002 0.000 0.272 242 T C -0.058 174.718 174.700 0.127 0.000 0.990 242 T CA -0.264 61.890 62.100 0.090 0.000 0.897 242 T CB -0.044 68.853 68.868 0.048 0.000 1.111 242 T HN 0.401 nan 8.240 nan 0.000 0.529 243 L N 1.168 122.544 121.223 0.255 0.000 2.614 243 L HA 0.560 4.899 4.340 -0.002 0.000 0.264 243 L C -2.115 175.121 176.870 0.609 0.000 0.940 243 L CA -0.569 54.467 54.840 0.327 0.000 0.903 243 L CB 1.634 43.831 42.059 0.230 0.000 1.306 243 L HN 0.046 nan 8.230 nan 0.000 0.410 244 F N 4.540 124.653 119.950 0.271 0.000 2.425 244 F HA 0.511 5.037 4.527 -0.002 0.000 0.331 244 F C -0.238 175.824 175.800 0.438 0.000 1.085 244 F CA -1.012 57.196 58.000 0.346 0.000 1.028 244 F CB 1.728 40.936 39.000 0.348 0.000 1.177 244 F HN 0.332 nan 8.300 nan 0.000 0.487 245 F N 3.578 123.801 119.950 0.455 0.000 2.577 245 F HA 0.457 4.983 4.527 -0.002 0.000 0.344 245 F C -1.013 174.986 175.800 0.332 0.000 1.145 245 F CA -0.590 57.639 58.000 0.381 0.000 0.996 245 F CB 0.534 39.782 39.000 0.414 0.000 1.248 245 F HN 0.289 nan 8.300 nan 0.000 0.447 246 N N 3.558 122.394 118.700 0.226 0.000 2.483 246 N HA 0.308 5.047 4.740 -0.002 0.000 0.267 246 N C -1.072 174.448 175.510 0.017 0.000 0.998 246 N CA -0.547 52.608 53.050 0.174 0.000 0.918 246 N CB 2.000 40.722 38.487 0.391 0.000 1.215 246 N HN 0.356 nan 8.380 nan 0.000 0.500 247 T N 1.913 116.455 114.554 -0.020 0.000 2.806 247 T HA 0.364 4.713 4.350 -0.002 0.000 0.290 247 T C -0.534 174.079 174.700 -0.146 0.000 0.966 247 T CA -0.051 62.089 62.100 0.068 0.000 1.060 247 T CB 0.307 69.333 68.868 0.263 0.000 0.927 247 T HN 0.255 nan 8.240 nan 0.000 0.485 248 Y N 1.678 122.105 120.300 0.212 0.000 2.426 248 Y HA 0.459 5.008 4.550 -0.002 0.000 0.325 248 Y C -0.148 175.997 175.900 0.408 0.000 0.989 248 Y CA -1.011 57.275 58.100 0.309 0.000 1.284 248 Y CB 0.964 39.626 38.460 0.337 0.000 1.104 248 Y HN 0.362 nan 8.280 nan 0.000 0.481 249 V N 3.246 123.395 119.914 0.391 0.000 2.539 249 V HA 0.249 4.368 4.120 -0.002 0.000 0.292 249 V C -0.276 175.891 176.094 0.121 0.000 1.045 249 V CA -0.682 61.803 62.300 0.310 0.000 0.945 249 V CB 1.355 33.373 31.823 0.325 0.000 0.993 249 V HN 0.743 nan 8.190 nan 0.000 0.464 250 H N 4.766 123.672 119.070 -0.274 0.000 2.854 250 H HA 0.357 4.912 4.556 -0.002 0.000 0.275 250 H C -1.505 173.650 175.328 -0.288 0.000 1.198 250 H CA -0.667 54.991 56.048 -0.650 0.000 1.489 250 H CB 0.859 29.510 29.762 -1.851 0.000 1.519 250 H HN 0.621 nan 8.280 nan 0.000 0.503 251 F N 4.210 123.936 119.950 -0.373 0.000 2.396 251 F HA 0.272 4.798 4.527 -0.002 0.000 0.343 251 F C -0.559 174.887 175.800 -0.590 0.000 1.104 251 F CA -0.195 57.496 58.000 -0.515 0.000 1.161 251 F CB 1.256 39.761 39.000 -0.824 0.000 1.146 251 F HN 0.557 nan 8.300 nan 0.000 0.522 252 Q N 4.504 123.449 119.800 -1.425 0.000 2.294 252 Q HA 0.439 4.778 4.340 -0.002 0.000 0.264 252 Q C -1.178 174.145 176.000 -1.128 0.000 0.992 252 Q CA -0.711 54.485 55.803 -1.011 0.000 0.747 252 Q CB 1.643 29.955 28.738 -0.710 0.000 1.262 252 Q HN 0.986 nan 8.270 nan 0.000 0.452 253 G N 3.892 112.227 108.800 -0.775 0.000 2.716 253 G HA2 0.276 4.235 3.960 -0.002 0.000 0.333 253 G HA3 0.276 4.235 3.960 -0.002 0.000 0.333 253 G C -0.685 174.100 174.900 -0.192 0.000 1.168 253 G CA -0.479 44.378 45.100 -0.404 0.000 1.064 253 G HN 0.472 nan 8.290 nan 0.000 0.479 254 K N 3.176 123.469 120.400 -0.179 0.000 2.338 254 K HA 0.200 4.519 4.320 -0.002 0.000 0.290 254 K C 0.584 177.158 176.600 -0.044 0.000 1.069 254 K CA 0.105 56.336 56.287 -0.093 0.000 0.941 254 K CB 0.902 33.355 32.500 -0.079 0.000 1.023 254 K HN 0.613 nan 8.250 nan 0.000 0.477 255 M N 2.052 121.638 119.600 -0.024 0.000 2.113 255 M HA 0.361 4.840 4.480 -0.002 0.000 0.352 255 M C -0.078 176.309 176.300 0.145 0.000 1.170 255 M CA -0.717 54.590 55.300 0.011 0.000 1.053 255 M CB 1.226 33.736 32.600 -0.151 0.000 1.601 255 M HN 0.351 nan 8.290 nan 0.000 0.459 256 R N 2.045 122.643 120.500 0.164 0.000 2.643 256 R HA 0.369 4.708 4.340 -0.002 0.000 0.270 256 R C 1.050 177.537 176.300 0.312 0.000 1.061 256 R CA 1.804 58.017 56.100 0.188 0.000 1.107 256 R CB 0.348 30.730 30.300 0.137 0.000 0.999 256 R HN 1.062 nan 8.270 nan 0.000 0.460 257 G N 2.863 111.790 108.800 0.212 0.000 2.336 257 G HA2 -0.303 3.656 3.960 -0.002 0.000 0.233 257 G HA3 -0.303 3.656 3.960 -0.002 0.000 0.233 257 G C -0.030 174.896 174.900 0.045 0.000 1.053 257 G CA 0.068 45.247 45.100 0.133 0.000 0.625 257 G HN 0.516 nan 8.290 nan 0.000 0.511 258 F N 2.186 122.186 119.950 0.083 0.000 2.379 258 F HA 0.629 5.155 4.527 -0.002 0.000 0.332 258 F C 0.925 176.747 175.800 0.037 0.000 1.096 258 F CA 0.225 58.262 58.000 0.061 0.000 1.105 258 F CB 2.029 41.055 39.000 0.043 0.000 1.189 258 F HN 0.404 nan 8.300 nan 0.000 0.515 259 S N 1.200 117.007 115.700 0.178 0.000 2.579 259 S HA 0.433 4.902 4.470 -0.002 0.000 0.272 259 S C -1.141 173.522 174.600 0.105 0.000 1.141 259 S CA -1.146 57.121 58.200 0.112 0.000 0.843 259 S CB 1.697 64.934 63.200 0.062 0.000 1.122 259 S HN 0.581 nan 8.310 nan 0.000 0.468 260 Q N 0.829 120.679 119.800 0.083 0.000 2.337 260 Q HA 0.446 4.785 4.340 -0.002 0.000 0.270 260 Q C -1.216 174.834 176.000 0.083 0.000 1.002 260 Q CA 0.095 55.947 55.803 0.082 0.000 0.888 260 Q CB 0.366 29.143 28.738 0.064 0.000 1.222 260 Q HN 0.700 nan 8.270 nan 0.000 0.400 261 L N 4.134 125.423 121.223 0.110 0.000 2.257 261 L HA 0.357 4.696 4.340 -0.002 0.000 0.290 261 L C 0.106 177.083 176.870 0.178 0.000 1.044 261 L CA -0.895 54.029 54.840 0.140 0.000 0.810 261 L CB 1.113 43.258 42.059 0.143 0.000 1.193 261 L HN 0.791 nan 8.230 nan 0.000 0.425 262 T N 0.380 115.005 114.554 0.119 0.000 2.928 262 T HA 0.476 4.825 4.350 -0.002 0.000 0.305 262 T C 0.559 175.295 174.700 0.060 0.000 1.035 262 T CA 0.112 62.258 62.100 0.076 0.000 1.145 262 T CB 1.076 69.973 68.868 0.048 0.000 0.963 262 T HN 1.035 nan 8.240 nan 0.000 0.545 263 G N 1.987 110.777 108.800 -0.015 0.000 2.692 263 G HA2 -0.025 3.934 3.960 -0.002 0.000 0.686 263 G HA3 -0.025 3.934 3.960 -0.002 0.000 0.686 263 G C -0.710 174.002 174.900 -0.314 0.000 1.243 263 G CA -0.730 44.286 45.100 -0.140 0.000 0.782 263 G HN 0.946 nan 8.290 nan 0.000 0.625 264 L N 1.979 123.007 121.223 -0.325 0.000 2.439 264 L HA 0.701 5.040 4.340 -0.002 0.000 0.259 264 L C 0.571 177.107 176.870 -0.556 0.000 1.129 264 L CA -0.990 53.678 54.840 -0.287 0.000 0.803 264 L CB 1.231 43.235 42.059 -0.093 0.000 1.161 264 L HN 0.668 nan 8.230 nan 0.000 0.462 265 H N -0.137 118.980 119.070 0.079 0.000 2.851 265 H HA 0.292 4.847 4.556 -0.002 0.000 0.372 265 H C -1.086 174.323 175.328 0.136 0.000 1.158 265 H CA -0.764 55.341 56.048 0.094 0.000 1.159 265 H CB 1.927 31.743 29.762 0.090 0.000 1.757 265 H HN 0.550 nan 8.280 nan 0.000 0.546 266 E N 1.737 122.088 120.200 0.253 0.000 2.299 266 E HA 0.076 4.425 4.350 -0.002 0.000 0.272 266 E C -0.894 175.889 176.600 0.305 0.000 1.043 266 E CA 0.173 56.716 56.400 0.239 0.000 0.895 266 E CB 0.855 30.668 29.700 0.188 0.000 1.011 266 E HN 0.221 nan 8.360 nan 0.000 0.432 267 F N 4.085 124.142 119.950 0.177 0.000 2.458 267 F HA 0.248 4.774 4.527 -0.002 0.000 0.336 267 F C -0.786 175.162 175.800 0.246 0.000 1.114 267 F CA -0.852 57.267 58.000 0.199 0.000 0.987 267 F CB 0.949 40.045 39.000 0.160 0.000 1.130 267 F HN 0.507 nan 8.300 nan 0.000 0.458 268 W N 8.443 129.509 121.300 -0.390 0.000 2.367 268 W HA 0.362 5.021 4.660 -0.002 0.000 0.329 268 W C -0.633 175.801 176.519 -0.142 0.000 1.066 268 W CA -0.632 56.594 57.345 -0.199 0.000 1.435 268 W CB 1.306 30.640 29.460 -0.210 0.000 1.296 268 W HN 0.449 nan 8.180 nan 0.000 0.401 269 V N 4.356 123.993 119.914 -0.462 0.000 2.331 269 V HA -0.032 4.087 4.120 -0.002 0.000 0.242 269 V C 0.587 176.347 176.094 -0.556 0.000 1.034 269 V CA 1.608 63.733 62.300 -0.292 0.000 1.027 269 V CB -0.337 31.414 31.823 -0.119 0.000 0.667 269 V HN 0.519 nan 8.190 nan 0.000 0.457 270 D N -2.359 117.483 120.400 -0.929 0.000 2.599 270 D HA 0.177 4.816 4.640 -0.002 0.000 0.252 270 D C 0.131 175.995 176.300 -0.726 0.000 1.232 270 D CA -0.531 53.091 54.000 -0.630 0.000 0.819 270 D CB 1.759 42.381 40.800 -0.298 0.000 1.401 270 D HN -0.155 nan 8.370 nan 0.000 0.429 271 N N -0.219 118.401 118.700 -0.133 0.000 2.182 271 N HA -0.202 4.537 4.740 -0.002 0.000 0.192 271 N C 1.363 177.004 175.510 0.218 0.000 1.007 271 N CA 2.275 55.469 53.050 0.239 0.000 0.873 271 N CB 0.120 38.706 38.487 0.165 0.000 0.998 271 N HN 0.336 nan 8.380 nan 0.000 0.436 272 S N -3.135 112.559 115.700 -0.010 0.000 2.603 272 S HA 0.193 4.662 4.470 -0.002 0.000 0.232 272 S C 0.234 174.803 174.600 -0.052 0.000 1.016 272 S CA -0.123 58.096 58.200 0.032 0.000 0.976 272 S CB 0.133 63.346 63.200 0.022 0.000 0.921 272 S HN 0.222 nan 8.310 nan 0.000 0.516 273 T N 0.138 114.536 114.554 -0.259 0.000 2.909 273 T HA 0.783 5.132 4.350 -0.002 0.000 0.299 273 T C -0.699 173.762 174.700 -0.398 0.000 1.073 273 T CA -0.280 61.684 62.100 -0.227 0.000 0.999 273 T CB 1.891 70.663 68.868 -0.160 0.000 1.098 273 T HN 0.598 nan 8.240 nan 0.000 0.477 274 S N 0.232 115.850 115.700 -0.136 0.000 2.596 274 S HA 0.861 5.330 4.470 -0.002 0.000 0.270 274 S C -0.910 173.734 174.600 0.073 0.000 1.155 274 S CA -0.439 57.745 58.200 -0.027 0.000 0.827 274 S CB 1.346 64.669 63.200 0.205 0.000 1.130 274 S HN 1.970 nan 8.310 nan 0.000 0.467 275 V N -0.988 119.010 119.914 0.141 0.000 3.049 275 V HA 0.939 5.058 4.120 -0.002 0.000 0.309 275 V C -0.396 175.798 176.094 0.166 0.000 1.148 275 V CA -0.550 61.825 62.300 0.125 0.000 0.990 275 V CB 1.478 33.353 31.823 0.087 0.000 1.039 275 V HN 1.401 nan 8.190 nan 0.000 0.430 276 S N 2.017 117.785 115.700 0.113 0.000 2.438 276 S HA 0.862 5.331 4.470 -0.002 0.000 0.316 276 S C -0.333 174.312 174.600 0.076 0.000 1.084 276 S CA -0.217 58.048 58.200 0.107 0.000 1.107 276 S CB 0.767 64.005 63.200 0.062 0.000 0.981 276 S HN 2.150 nan 8.310 nan 0.000 0.466 277 V N -0.863 119.113 119.914 0.102 0.000 3.007 277 V HA 0.813 4.932 4.120 -0.002 0.000 0.311 277 V C -3.025 173.127 176.094 0.097 0.000 1.120 277 V CA -2.978 59.361 62.300 0.065 0.000 0.980 277 V CB 1.798 33.637 31.823 0.027 0.000 1.033 277 V HN 0.665 nan 8.190 nan 0.000 0.429 278 P HA 0.313 nan 4.420 nan 0.000 0.271 278 P C -0.962 176.426 177.300 0.146 0.000 1.216 278 P CA 0.068 63.237 63.100 0.115 0.000 0.771 278 P CB 0.700 32.437 31.700 0.062 0.000 0.864 279 M N 3.845 123.581 119.600 0.226 0.000 2.436 279 M HA 0.404 4.883 4.480 -0.002 0.000 0.331 279 M C 0.300 176.670 176.300 0.116 0.000 1.135 279 M CA -1.037 54.351 55.300 0.146 0.000 0.987 279 M CB 1.811 34.475 32.600 0.108 0.000 1.687 279 M HN 0.249 nan 8.290 nan 0.000 0.445 280 L N 0.043 121.326 121.223 0.101 0.000 2.358 280 L HA 0.925 5.264 4.340 -0.002 0.000 0.268 280 L C -0.389 176.605 176.870 0.206 0.000 1.032 280 L CA -0.357 54.567 54.840 0.140 0.000 0.805 280 L CB 1.499 43.640 42.059 0.136 0.000 1.253 280 L HN 0.803 nan 8.230 nan 0.000 0.452 281 S N -0.442 115.410 115.700 0.252 0.000 2.535 281 S HA 0.845 5.314 4.470 -0.002 0.000 0.272 281 S C -0.795 173.742 174.600 -0.105 0.000 1.149 281 S CA 0.101 58.400 58.200 0.164 0.000 0.888 281 S CB 1.726 64.942 63.200 0.028 0.000 1.110 281 S HN 1.413 nan 8.310 nan 0.000 0.463 282 G N 2.164 110.596 108.800 -0.612 0.000 2.766 282 G HA2 0.545 4.503 3.960 -0.002 0.000 0.297 282 G HA3 0.545 4.503 3.960 -0.002 0.000 0.297 282 G C -0.975 173.608 174.900 -0.527 0.000 1.431 282 G CA -0.435 44.122 45.100 -0.906 0.000 1.042 282 G HN 0.698 nan 8.290 nan 0.000 0.542 283 T N 0.309 114.690 114.554 -0.288 0.000 2.909 283 T HA 0.801 5.150 4.350 -0.002 0.000 0.289 283 T C 0.572 175.088 174.700 -0.306 0.000 1.005 283 T CA 0.542 62.523 62.100 -0.197 0.000 1.084 283 T CB 1.576 70.354 68.868 -0.150 0.000 0.975 283 T HN 1.506 nan 8.240 nan 0.000 0.509 284 G N 1.207 109.707 108.800 -0.500 0.000 2.338 284 G HA2 0.232 4.191 3.960 -0.002 0.000 0.295 284 G HA3 0.232 4.191 3.960 -0.002 0.000 0.295 284 G C -1.536 172.791 174.900 -0.955 0.000 1.461 284 G CA -1.010 43.587 45.100 -0.838 0.000 0.817 284 G HN 0.528 nan 8.290 nan 0.000 0.556 285 N N 0.963 119.260 118.700 -0.672 0.000 2.807 285 N HA 0.315 5.054 4.740 -0.002 0.000 0.259 285 N C -0.695 174.653 175.510 -0.271 0.000 1.149 285 N CA 0.354 53.190 53.050 -0.358 0.000 1.042 285 N CB 0.041 38.433 38.487 -0.158 0.000 1.367 285 N HN 0.284 nan 8.380 nan 0.000 0.516 286 F N 0.118 120.129 119.950 0.102 0.000 2.450 286 F HA 0.316 4.842 4.527 -0.002 0.000 0.328 286 F C 1.077 176.984 175.800 0.178 0.000 1.068 286 F CA -1.168 56.920 58.000 0.148 0.000 1.007 286 F CB 1.239 40.338 39.000 0.166 0.000 1.251 286 F HN -0.020 nan 8.300 nan 0.000 0.492 287 Q N 0.881 120.944 119.800 0.438 0.000 2.303 287 Q HA 0.299 4.638 4.340 -0.002 0.000 0.257 287 Q C -1.359 174.921 176.000 0.467 0.000 0.941 287 Q CA -0.399 55.650 55.803 0.410 0.000 0.931 287 Q CB 1.556 30.535 28.738 0.402 0.000 1.215 287 Q HN 0.561 nan 8.270 nan 0.000 0.437 288 H N 2.490 121.768 119.070 0.346 0.000 2.759 288 H HA 0.562 5.117 4.556 -0.002 0.000 0.354 288 H C -1.710 173.826 175.328 0.348 0.000 1.074 288 H CA -0.722 55.459 56.048 0.223 0.000 1.226 288 H CB 1.014 30.857 29.762 0.136 0.000 1.648 288 H HN 0.723 nan 8.280 nan 0.000 0.529 289 W N 2.269 123.395 121.300 -0.289 0.000 3.018 289 W HA 0.778 5.438 4.660 -0.001 0.000 0.352 289 W C -1.876 174.492 176.519 -0.251 0.000 1.230 289 W CA -1.031 56.227 57.345 -0.146 0.000 1.162 289 W CB 0.964 30.394 29.460 -0.050 0.000 1.483 289 W HN 0.526 nan 8.180 nan 0.000 0.584 290 S N 1.026 116.771 115.700 0.075 0.000 2.672 290 S HA 0.212 4.681 4.470 -0.002 0.000 0.291 290 S C -1.693 172.873 174.600 -0.057 0.000 1.145 290 S CA -0.591 57.553 58.200 -0.094 0.000 1.013 290 S CB 1.340 64.519 63.200 -0.035 0.000 1.017 290 S HN 0.489 nan 8.310 nan 0.000 0.487 291 D N 2.243 122.440 120.400 -0.339 0.000 2.339 291 D HA 0.515 5.154 4.640 -0.002 0.000 0.256 291 D C 0.937 177.055 176.300 -0.304 0.000 1.214 291 D CA -0.176 53.585 54.000 -0.398 0.000 0.877 291 D CB 0.932 41.141 40.800 -0.985 0.000 1.111 291 D HN 0.516 nan 8.370 nan 0.000 0.478 292 A N 3.710 126.446 122.820 -0.139 0.000 1.898 292 A HA -0.148 4.171 4.320 -0.002 0.000 0.214 292 A C 1.927 179.468 177.584 -0.071 0.000 1.183 292 A CA 1.214 53.200 52.037 -0.085 0.000 0.622 292 A CB -0.628 18.347 19.000 -0.042 0.000 0.824 292 A HN 0.660 nan 8.150 nan 0.000 0.444 293 Q N 0.676 120.439 119.800 -0.061 0.000 2.096 293 Q HA -0.197 4.142 4.340 -0.002 0.000 0.208 293 Q C 0.657 176.654 176.000 -0.005 0.000 0.993 293 Q CA 2.369 58.158 55.803 -0.023 0.000 0.862 293 Q CB -0.198 28.539 28.738 -0.002 0.000 0.915 293 Q HN 0.621 nan 8.270 nan 0.000 0.416 294 N N -0.429 118.259 118.700 -0.021 0.000 2.241 294 N HA 0.101 4.840 4.740 -0.002 0.000 0.238 294 N C -0.976 174.591 175.510 0.095 0.000 1.244 294 N CA 0.066 53.162 53.050 0.077 0.000 0.880 294 N CB 0.589 39.215 38.487 0.231 0.000 1.179 294 N HN 0.221 nan 8.380 nan 0.000 0.513 295 N N 1.245 119.923 118.700 -0.038 0.000 2.641 295 N HA -0.195 4.544 4.740 -0.002 0.000 0.267 295 N C -1.085 174.481 175.510 0.093 0.000 1.087 295 N CA 0.981 54.025 53.050 -0.011 0.000 0.731 295 N CB -1.255 37.248 38.487 0.026 0.000 0.886 295 N HN 0.429 nan 8.380 nan 0.000 0.547 296 F N -2.239 117.686 119.950 -0.041 0.000 2.745 296 F HA 0.752 5.278 4.527 -0.002 0.000 0.316 296 F C -0.633 175.105 175.800 -0.104 0.000 1.155 296 F CA -1.021 56.933 58.000 -0.077 0.000 0.937 296 F CB 1.047 39.974 39.000 -0.122 0.000 1.361 296 F HN 0.016 nan 8.300 nan 0.000 0.472 297 S N 0.658 116.421 115.700 0.105 0.000 2.547 297 S HA 0.803 5.272 4.470 -0.002 0.000 0.281 297 S C -1.576 172.869 174.600 -0.258 0.000 1.118 297 S CA -0.688 57.400 58.200 -0.186 0.000 0.947 297 S CB 1.365 64.474 63.200 -0.151 0.000 1.053 297 S HN 0.784 nan 8.310 nan 0.000 0.482 298 V N 2.307 121.788 119.914 -0.720 0.000 2.612 298 V HA 0.710 4.829 4.120 -0.002 0.000 0.301 298 V C -0.037 175.599 176.094 -0.764 0.000 1.046 298 V CA -0.397 61.451 62.300 -0.753 0.000 0.946 298 V CB 1.943 33.013 31.823 -1.255 0.000 1.003 298 V HN 1.069 nan 8.190 nan 0.000 0.459 299 T N 4.247 118.613 114.554 -0.314 0.000 2.879 299 T HA 0.465 4.814 4.350 -0.002 0.000 0.290 299 T C -0.479 174.210 174.700 -0.018 0.000 0.993 299 T CA -0.536 61.536 62.100 -0.047 0.000 0.975 299 T CB 1.188 70.130 68.868 0.123 0.000 0.981 299 T HN 0.600 nan 8.240 nan 0.000 0.439 300 R N 2.800 123.351 120.500 0.084 0.000 2.310 300 R HA 0.655 4.994 4.340 -0.002 0.000 0.324 300 R C -1.442 174.928 176.300 0.118 0.000 0.955 300 R CA -0.463 55.724 56.100 0.146 0.000 0.830 300 R CB 0.796 31.275 30.300 0.298 0.000 1.154 300 R HN 0.438 nan 8.270 nan 0.000 0.458 301 V N 6.773 126.691 119.914 0.006 0.000 2.448 301 V HA 0.405 4.524 4.120 -0.002 0.000 0.295 301 V C -2.149 173.996 176.094 0.086 0.000 1.025 301 V CA -2.029 60.209 62.300 -0.103 0.000 0.859 301 V CB 1.817 33.409 31.823 -0.385 0.000 0.988 301 V HN 0.761 nan 8.190 nan 0.000 0.431 302 P HA 0.270 nan 4.420 nan 0.000 0.281 302 P C 0.529 177.924 177.300 0.158 0.000 1.286 302 P CA -0.067 63.150 63.100 0.195 0.000 0.772 302 P CB 1.259 33.097 31.700 0.230 0.000 0.862 303 L N 2.084 123.373 121.223 0.110 0.000 2.179 303 L HA 0.197 4.536 4.340 -0.002 0.000 0.208 303 L C 1.484 178.408 176.870 0.090 0.000 1.096 303 L CA 1.225 56.118 54.840 0.088 0.000 0.779 303 L CB -0.325 41.786 42.059 0.087 0.000 0.922 303 L HN 0.531 nan 8.230 nan 0.000 0.443 304 G N -1.431 107.424 108.800 0.092 0.000 2.706 304 G HA2 0.170 4.129 3.960 -0.002 0.000 0.307 304 G HA3 0.170 4.129 3.960 -0.002 0.000 0.307 304 G C 0.198 175.145 174.900 0.078 0.000 1.307 304 G CA 0.081 45.226 45.100 0.075 0.000 0.790 304 G HN 0.087 nan 8.290 nan 0.000 0.503 305 E N -0.723 119.514 120.200 0.061 0.000 2.219 305 E HA -0.188 4.161 4.350 -0.002 0.000 0.198 305 E C 1.736 178.371 176.600 0.058 0.000 0.998 305 E CA 2.169 58.604 56.400 0.057 0.000 0.818 305 E CB -0.121 29.604 29.700 0.042 0.000 0.741 305 E HN 0.424 nan 8.360 nan 0.000 0.477 306 S N -0.217 115.513 115.700 0.051 0.000 2.663 306 S HA 0.189 4.658 4.470 -0.002 0.000 0.247 306 S C 0.712 175.342 174.600 0.050 0.000 1.074 306 S CA -0.360 57.866 58.200 0.044 0.000 0.955 306 S CB 0.279 63.488 63.200 0.015 0.000 0.901 306 S HN 0.043 nan 8.310 nan 0.000 0.505 307 V N 2.669 122.615 119.914 0.054 0.000 2.649 307 V HA 0.518 4.637 4.120 -0.002 0.000 0.292 307 V C -0.018 176.145 176.094 0.116 0.000 1.055 307 V CA 0.171 62.510 62.300 0.065 0.000 1.023 307 V CB 1.234 33.090 31.823 0.055 0.000 0.992 307 V HN 0.417 nan 8.190 nan 0.000 0.480 308 T N 5.059 119.708 114.554 0.158 0.000 2.879 308 T HA 0.449 4.798 4.350 -0.002 0.000 0.290 308 T C -0.928 173.876 174.700 0.172 0.000 0.993 308 T CA -0.353 61.858 62.100 0.184 0.000 0.975 308 T CB 1.314 70.332 68.868 0.251 0.000 0.981 308 T HN 0.482 nan 8.240 nan 0.000 0.439 309 L N 5.576 126.867 121.223 0.112 0.000 2.260 309 L HA 0.589 4.928 4.340 -0.002 0.000 0.289 309 L C -1.140 175.804 176.870 0.122 0.000 1.057 309 L CA -0.194 54.705 54.840 0.097 0.000 0.811 309 L CB 0.006 42.067 42.059 0.004 0.000 1.184 309 L HN 0.574 nan 8.230 nan 0.000 0.429 310 L N 6.481 127.821 121.223 0.195 0.000 2.289 310 L HA 0.471 4.810 4.340 -0.002 0.000 0.285 310 L C -0.655 176.347 176.870 0.220 0.000 1.049 310 L CA -0.319 54.642 54.840 0.202 0.000 0.804 310 L CB 1.189 43.415 42.059 0.278 0.000 1.195 310 L HN 0.550 nan 8.230 nan 0.000 0.428 311 L N 5.266 126.571 121.223 0.137 0.000 2.343 311 L HA 0.527 4.866 4.340 -0.002 0.000 0.278 311 L C -0.934 175.986 176.870 0.084 0.000 0.996 311 L CA -0.493 54.444 54.840 0.162 0.000 0.831 311 L CB 1.817 43.912 42.059 0.059 0.000 1.232 311 L HN 0.428 nan 8.230 nan 0.000 0.413 312 I N 3.240 123.878 120.570 0.114 0.000 2.378 312 I HA 0.359 4.528 4.170 -0.002 0.000 0.291 312 I C -0.278 175.872 176.117 0.056 0.000 0.992 312 I CA -0.253 61.040 61.300 -0.011 0.000 1.154 312 I CB 1.868 39.728 38.000 -0.232 0.000 1.315 312 I HN 0.552 nan 8.210 nan 0.000 0.448 313 Q N 6.736 126.568 119.800 0.054 0.000 2.337 313 Q HA 0.664 5.003 4.340 -0.002 0.000 0.270 313 Q C -2.912 173.135 176.000 0.078 0.000 1.043 313 Q CA -2.022 53.835 55.803 0.091 0.000 0.794 313 Q CB 2.600 31.397 28.738 0.098 0.000 1.281 313 Q HN 0.278 nan 8.270 nan 0.000 0.446 314 P HA -0.041 nan 4.420 nan 0.000 0.277 314 P C 0.031 177.374 177.300 0.073 0.000 1.240 314 P CA -0.193 62.950 63.100 0.072 0.000 0.798 314 P CB 1.463 33.177 31.700 0.024 0.000 0.979 315 Q N 0.874 120.720 119.800 0.076 0.000 2.062 315 Q HA -0.167 4.172 4.340 -0.002 0.000 0.209 315 Q C 0.157 176.177 176.000 0.033 0.000 0.996 315 Q CA 1.855 57.686 55.803 0.046 0.000 0.859 315 Q CB -0.182 28.577 28.738 0.035 0.000 0.920 315 Q HN 0.697 nan 8.270 nan 0.000 0.415 316 C N -2.559 116.761 119.300 0.034 0.000 2.563 316 C HA 0.813 5.272 4.460 -0.002 0.000 0.314 316 C C 1.003 176.018 174.990 0.042 0.000 1.199 316 C CA -0.638 58.399 59.018 0.031 0.000 1.564 316 C CB 0.947 28.700 27.740 0.023 0.000 2.173 316 C HN 0.382 nan 8.230 nan 0.000 0.485 317 A N 1.844 124.700 122.820 0.060 0.000 2.248 317 A HA 0.038 4.357 4.320 -0.002 0.000 0.210 317 A C 1.967 179.586 177.584 0.058 0.000 1.174 317 A CA 1.423 53.504 52.037 0.073 0.000 0.750 317 A CB -0.709 18.365 19.000 0.124 0.000 0.780 317 A HN 1.414 nan 8.150 nan 0.000 0.478 318 S N 0.188 115.917 115.700 0.049 0.000 2.561 318 S HA -0.039 4.430 4.470 -0.002 0.000 0.225 318 S C 0.539 175.149 174.600 0.017 0.000 0.977 318 S CA 0.620 58.842 58.200 0.037 0.000 0.926 318 S CB -0.108 63.113 63.200 0.036 0.000 0.769 318 S HN 0.705 nan 8.310 nan 0.000 0.533 319 D N 0.051 120.456 120.400 0.008 0.000 2.908 319 D HA 0.141 4.780 4.640 -0.002 0.000 0.361 319 D C 0.744 177.022 176.300 -0.036 0.000 1.416 319 D CA -0.504 53.489 54.000 -0.011 0.000 0.796 319 D CB -0.253 40.543 40.800 -0.006 0.000 1.185 319 D HN 0.254 nan 8.370 nan 0.000 0.451 320 L N 0.914 122.117 121.223 -0.034 0.000 2.141 320 L HA -0.044 4.295 4.340 -0.002 0.000 0.209 320 L C 1.369 178.180 176.870 -0.099 0.000 1.094 320 L CA 1.843 56.643 54.840 -0.067 0.000 0.763 320 L CB -0.221 41.819 42.059 -0.032 0.000 0.908 320 L HN -0.090 nan 8.230 nan 0.000 0.437 321 D N -0.616 119.743 120.400 -0.069 0.000 2.117 321 D HA -0.212 4.427 4.640 -0.002 0.000 0.197 321 D C 2.201 178.440 176.300 -0.101 0.000 0.987 321 D CA 1.090 55.046 54.000 -0.074 0.000 0.829 321 D CB -0.130 40.640 40.800 -0.050 0.000 0.961 321 D HN 0.351 nan 8.370 nan 0.000 0.460 322 R N 0.673 121.117 120.500 -0.093 0.000 2.090 322 R HA -0.057 4.282 4.340 -0.002 0.000 0.228 322 R C 2.171 178.376 176.300 -0.159 0.000 1.110 322 R CA 0.606 56.647 56.100 -0.098 0.000 0.973 322 R CB -0.033 30.233 30.300 -0.056 0.000 0.869 322 R HN 0.010 nan 8.270 nan 0.000 0.440 323 V N 1.117 120.912 119.914 -0.199 0.000 2.307 323 V HA -0.217 3.902 4.120 -0.002 0.000 0.245 323 V C 2.298 178.084 176.094 -0.512 0.000 1.045 323 V CA 2.076 64.168 62.300 -0.347 0.000 1.024 323 V CB -0.541 31.050 31.823 -0.387 0.000 0.651 323 V HN 0.456 nan 8.190 nan 0.000 0.449 324 E N 0.248 120.189 120.200 -0.432 0.000 2.070 324 E HA -0.229 4.120 4.350 -0.002 0.000 0.197 324 E C 2.171 178.554 176.600 -0.362 0.000 1.004 324 E CA 1.977 58.104 56.400 -0.456 0.000 0.805 324 E CB -0.085 29.496 29.700 -0.198 0.000 0.744 324 E HN 0.416 nan 8.360 nan 0.000 0.451 325 V N 0.986 120.739 119.914 -0.268 0.000 2.490 325 V HA -0.232 3.887 4.120 -0.002 0.000 0.250 325 V C 2.320 178.117 176.094 -0.496 0.000 1.061 325 V CA 1.293 63.424 62.300 -0.281 0.000 1.064 325 V CB -0.378 31.328 31.823 -0.194 0.000 0.670 325 V HN 0.332 nan 8.190 nan 0.000 0.461 326 L N 0.152 121.108 121.223 -0.446 0.000 2.270 326 L HA 0.011 4.350 4.340 -0.002 0.000 0.210 326 L C 2.168 178.737 176.870 -0.501 0.000 1.104 326 L CA 1.893 56.486 54.840 -0.412 0.000 0.804 326 L CB -0.038 41.902 42.059 -0.197 0.000 0.937 326 L HN 0.346 nan 8.230 nan 0.000 0.450 327 V N -5.042 114.422 119.914 -0.751 0.000 2.627 327 V HA 0.050 4.169 4.120 -0.002 0.000 0.239 327 V C 2.166 177.829 176.094 -0.719 0.000 1.077 327 V CA 0.610 62.225 62.300 -1.141 0.000 1.103 327 V CB -1.075 29.657 31.823 -1.818 0.000 0.802 327 V HN 0.186 nan 8.190 nan 0.000 0.482 328 F N 0.982 120.592 119.950 -0.567 0.000 2.074 328 F HA -0.053 4.473 4.527 -0.002 0.000 0.290 328 F C 3.029 178.607 175.800 -0.370 0.000 1.118 328 F CA 1.614 59.413 58.000 -0.334 0.000 1.199 328 F CB -0.371 38.405 39.000 -0.372 0.000 1.012 328 F HN 0.091 nan 8.300 nan 0.000 0.472 329 Q N -0.358 119.392 119.800 -0.083 0.000 2.217 329 Q HA -0.198 4.141 4.340 -0.002 0.000 0.209 329 Q C 0.020 175.861 176.000 -0.265 0.000 0.988 329 Q CA 0.983 56.726 55.803 -0.099 0.000 0.878 329 Q CB -0.421 28.230 28.738 -0.143 0.000 0.909 329 Q HN 0.374 nan 8.270 nan 0.000 0.424 330 H N 0.311 119.043 119.070 -0.562 0.000 2.562 330 H HA -0.006 4.550 4.556 -0.002 0.000 0.352 330 H C 0.586 175.113 175.328 -1.334 0.000 1.125 330 H CA -0.164 55.321 56.048 -0.940 0.000 1.379 330 H CB 1.008 29.995 29.762 -1.292 0.000 1.464 330 H HN 0.259 nan 8.280 nan 0.000 0.563 331 D N 1.412 121.186 120.400 -1.043 0.000 2.178 331 D HA -0.128 4.511 4.640 -0.002 0.000 0.202 331 D C 0.180 176.170 176.300 -0.517 0.000 0.974 331 D CA 0.554 54.039 54.000 -0.858 0.000 0.841 331 D CB -0.540 39.719 40.800 -0.902 0.000 0.953 331 D HN 0.361 nan 8.370 nan 0.000 0.478 332 F N 0.185 120.054 119.950 -0.135 0.000 2.543 332 F HA 0.311 4.838 4.527 -0.001 0.000 0.375 332 F C 0.541 176.366 175.800 0.042 0.000 1.075 332 F CA -0.880 57.124 58.000 0.007 0.000 1.225 332 F CB 0.322 39.345 39.000 0.039 0.000 1.099 332 F HN -0.213 nan 8.300 nan 0.000 0.561 333 L N 3.472 124.722 121.223 0.045 0.000 2.978 333 L HA 0.110 4.449 4.340 -0.002 0.000 0.239 333 L C 1.488 178.105 176.870 -0.422 0.000 1.293 333 L CA -0.020 54.543 54.840 -0.462 0.000 1.085 333 L CB -0.542 41.298 42.059 -0.365 0.000 1.432 333 L HN 0.978 nan 8.230 nan 0.000 0.512 334 T N -3.728 110.770 114.554 -0.094 0.000 2.942 334 T HA -0.153 4.196 4.350 -0.002 0.000 0.265 334 T C 1.721 176.430 174.700 0.014 0.000 1.062 334 T CA 0.284 62.368 62.100 -0.028 0.000 1.139 334 T CB -0.245 68.651 68.868 0.046 0.000 0.883 334 T HN 0.618 nan 8.240 nan 0.000 0.468 335 W N 2.082 123.493 121.300 0.184 0.000 2.387 335 W HA 0.195 4.854 4.660 -0.002 0.000 0.272 335 W C 0.439 177.158 176.519 0.334 0.000 1.224 335 W CA -0.472 57.037 57.345 0.273 0.000 1.210 335 W CB -1.158 28.524 29.460 0.371 0.000 1.125 335 W HN 0.211 nan 8.180 nan 0.000 0.572 336 I N 2.659 123.061 120.570 -0.281 0.000 2.529 336 I HA 0.105 4.274 4.170 -0.002 0.000 0.284 336 I C 0.518 176.484 176.117 -0.252 0.000 1.082 336 I CA 0.545 61.744 61.300 -0.169 0.000 1.406 336 I CB 0.571 38.244 38.000 -0.545 0.000 1.405 336 I HN -0.205 nan 8.210 nan 0.000 0.548 337 K N 4.029 124.130 120.400 -0.498 0.000 2.399 337 K HA 0.407 4.726 4.320 -0.002 0.000 0.260 337 K C -0.798 175.482 176.600 -0.533 0.000 1.049 337 K CA -1.000 54.857 56.287 -0.717 0.000 0.890 337 K CB 1.542 33.281 32.500 -1.268 0.000 1.430 337 K HN 0.346 nan 8.250 nan 0.000 0.459 338 N N 1.614 120.088 118.700 -0.377 0.000 2.733 338 N HA 0.236 4.975 4.740 -0.002 0.000 0.271 338 N C -2.619 172.813 175.510 -0.131 0.000 1.720 338 N CA -1.322 51.625 53.050 -0.171 0.000 0.803 338 N CB 0.620 39.057 38.487 -0.083 0.000 1.208 338 N HN 0.324 nan 8.380 nan 0.000 0.498 339 P HA 0.511 nan 4.420 nan 0.000 0.282 339 P C -2.828 174.499 177.300 0.045 0.000 1.287 339 P CA -1.386 61.690 63.100 -0.040 0.000 0.792 339 P CB 0.007 31.699 31.700 -0.013 0.000 1.163 340 P HA 0.291 nan 4.420 nan 0.000 0.276 340 P C -2.271 175.089 177.300 0.101 0.000 1.230 340 P CA -0.911 62.228 63.100 0.065 0.000 0.776 340 P CB -1.028 30.700 31.700 0.045 0.000 0.888 341 P HA 0.121 nan 4.420 nan 0.000 0.269 341 P C -0.342 176.999 177.300 0.069 0.000 1.217 341 P CA 0.225 63.387 63.100 0.103 0.000 0.783 341 P CB 0.489 32.230 31.700 0.069 0.000 0.898 342 R N -0.293 120.242 120.500 0.058 0.000 2.663 342 R HA 0.728 5.067 4.340 -0.002 0.000 0.267 342 R C -1.420 174.865 176.300 -0.024 0.000 1.038 342 R CA -1.229 54.887 56.100 0.026 0.000 0.886 342 R CB 0.967 31.303 30.300 0.060 0.000 1.249 342 R HN 0.334 nan 8.270 nan 0.000 0.463 343 A N 3.221 126.012 122.820 -0.047 0.000 2.476 343 A HA 0.426 4.745 4.320 -0.002 0.000 0.275 343 A C -0.117 177.432 177.584 -0.058 0.000 1.133 343 A CA -0.009 51.977 52.037 -0.086 0.000 0.797 343 A CB -0.298 18.659 19.000 -0.072 0.000 1.081 343 A HN 0.573 nan 8.150 nan 0.000 0.510 344 I N 2.351 122.883 120.570 -0.063 0.000 2.534 344 I HA 0.308 4.477 4.170 -0.002 0.000 0.288 344 I C 0.175 176.323 176.117 0.051 0.000 1.077 344 I CA -0.556 60.760 61.300 0.025 0.000 1.051 344 I CB 2.224 40.317 38.000 0.156 0.000 1.234 344 I HN 0.764 nan 8.210 nan 0.000 0.425 345 R N 5.892 126.402 120.500 0.017 0.000 2.296 345 R HA 0.379 4.718 4.340 -0.002 0.000 0.327 345 R C -1.160 175.166 176.300 0.043 0.000 1.137 345 R CA -0.606 55.496 56.100 0.004 0.000 1.020 345 R CB 0.416 30.696 30.300 -0.034 0.000 1.110 345 R HN 0.464 nan 8.270 nan 0.000 0.499 346 L N 3.588 124.880 121.223 0.115 0.000 2.305 346 L HA 0.394 4.733 4.340 -0.002 0.000 0.281 346 L C -0.871 176.090 176.870 0.150 0.000 1.085 346 L CA 0.641 55.571 54.840 0.151 0.000 0.813 346 L CB 1.780 43.993 42.059 0.255 0.000 1.157 346 L HN 0.529 nan 8.230 nan 0.000 0.436 347 T N 7.147 121.751 114.554 0.082 0.000 2.824 347 T HA 0.727 5.076 4.350 -0.002 0.000 0.282 347 T C -0.726 173.987 174.700 0.022 0.000 0.993 347 T CA -0.418 61.719 62.100 0.062 0.000 0.967 347 T CB 0.999 69.864 68.868 -0.004 0.000 0.960 347 T HN 0.691 nan 8.240 nan 0.000 0.441 348 L N 1.284 122.526 121.223 0.030 0.000 2.568 348 L HA 0.860 5.199 4.340 -0.002 0.000 0.257 348 L C -3.264 173.622 176.870 0.026 0.000 1.024 348 L CA -3.002 51.813 54.840 -0.042 0.000 0.854 348 L CB 1.864 43.819 42.059 -0.174 0.000 1.460 348 L HN 0.259 nan 8.230 nan 0.000 0.409 349 P HA 0.121 nan 4.420 nan 0.000 0.275 349 P C -1.276 176.036 177.300 0.020 0.000 1.228 349 P CA -0.137 62.997 63.100 0.056 0.000 0.786 349 P CB 0.608 32.312 31.700 0.006 0.000 0.927 350 Q N 1.791 121.600 119.800 0.015 0.000 2.300 350 Q HA 0.122 4.461 4.340 -0.002 0.000 0.280 350 Q C -0.907 175.071 176.000 -0.036 0.000 1.033 350 Q CA 0.159 55.956 55.803 -0.009 0.000 0.903 350 Q CB 0.060 28.799 28.738 0.003 0.000 1.195 350 Q HN 0.438 nan 8.270 nan 0.000 0.386 351 L N 4.264 125.453 121.223 -0.057 0.000 2.287 351 L HA 0.339 4.678 4.340 -0.002 0.000 0.287 351 L C 0.076 176.898 176.870 -0.080 0.000 1.022 351 L CA -0.088 54.701 54.840 -0.086 0.000 0.814 351 L CB 1.327 43.304 42.059 -0.135 0.000 1.217 351 L HN 0.644 nan 8.230 nan 0.000 0.420 352 E N 4.875 125.032 120.200 -0.072 0.000 3.588 352 E HA 0.306 4.655 4.350 -0.002 0.000 0.213 352 E C -0.646 175.925 176.600 -0.049 0.000 1.168 352 E CA -0.274 56.094 56.400 -0.053 0.000 1.254 352 E CB 0.844 30.522 29.700 -0.038 0.000 1.302 352 E HN 0.518 nan 8.360 nan 0.000 0.429 353 I N 1.858 122.388 120.570 -0.066 0.000 2.436 353 I HA 0.117 4.286 4.170 -0.002 0.000 0.289 353 I C 0.517 176.648 176.117 0.024 0.000 1.083 353 I CA 0.346 61.624 61.300 -0.036 0.000 1.372 353 I CB 0.282 38.236 38.000 -0.075 0.000 1.408 353 I HN 0.002 nan 8.210 nan 0.000 0.516 354 R N 4.879 125.406 120.500 0.046 0.000 2.393 354 R HA 0.621 4.960 4.340 -0.002 0.000 0.315 354 R C -0.083 176.284 176.300 0.112 0.000 0.952 354 R CA -0.526 55.622 56.100 0.080 0.000 0.842 354 R CB 2.038 32.376 30.300 0.063 0.000 1.163 354 R HN 0.804 nan 8.270 nan 0.000 0.450 355 G N -0.033 108.861 108.800 0.158 0.000 2.533 355 G HA2 0.541 4.500 3.960 -0.002 0.000 0.304 355 G HA3 0.541 4.500 3.960 -0.002 0.000 0.304 355 G C -1.278 173.735 174.900 0.187 0.000 1.263 355 G CA -0.429 44.790 45.100 0.197 0.000 0.964 355 G HN 0.390 nan 8.290 nan 0.000 0.479 356 S N -0.481 115.347 115.700 0.213 0.000 2.563 356 S HA 0.666 5.135 4.470 -0.002 0.000 0.279 356 S C -1.730 172.983 174.600 0.189 0.000 1.155 356 S CA -0.797 57.461 58.200 0.097 0.000 0.928 356 S CB 0.515 63.753 63.200 0.063 0.000 1.107 356 S HN 1.290 nan 8.310 nan 0.000 0.462 357 Y N 1.654 121.962 120.300 0.014 0.000 2.482 357 Y HA 0.631 5.180 4.550 -0.002 0.000 0.334 357 Y C -0.662 175.230 175.900 -0.012 0.000 1.091 357 Y CA -1.203 56.894 58.100 -0.006 0.000 1.027 357 Y CB 0.765 39.216 38.460 -0.014 0.000 1.306 357 Y HN 0.533 nan 8.280 nan 0.000 0.446 358 N N 3.066 121.803 118.700 0.062 0.000 2.411 358 N HA 0.040 4.779 4.740 -0.002 0.000 0.259 358 N C 0.345 175.883 175.510 0.047 0.000 1.103 358 N CA -0.343 52.705 53.050 -0.004 0.000 0.954 358 N CB 1.419 39.886 38.487 -0.034 0.000 1.085 358 N HN 0.961 nan 8.380 nan 0.000 0.485 359 L N 3.745 124.985 121.223 0.028 0.000 2.191 359 L HA -0.097 4.242 4.340 -0.002 0.000 0.212 359 L C 1.919 178.772 176.870 -0.029 0.000 1.103 359 L CA 1.596 56.462 54.840 0.044 0.000 0.769 359 L CB -0.366 41.697 42.059 0.008 0.000 0.908 359 L HN 0.621 nan 8.230 nan 0.000 0.438 360 Q N -0.361 119.399 119.800 -0.068 0.000 2.135 360 Q HA -0.229 4.110 4.340 -0.002 0.000 0.204 360 Q C 1.801 177.768 176.000 -0.055 0.000 0.981 360 Q CA 1.931 57.682 55.803 -0.087 0.000 0.856 360 Q CB -0.369 28.310 28.738 -0.099 0.000 0.902 360 Q HN 0.662 nan 8.270 nan 0.000 0.425 361 D N 0.177 120.558 120.400 -0.031 0.000 2.224 361 D HA -0.049 4.590 4.640 -0.002 0.000 0.205 361 D C 2.054 178.341 176.300 -0.021 0.000 0.965 361 D CA 0.519 54.506 54.000 -0.022 0.000 0.852 361 D CB 0.192 40.986 40.800 -0.010 0.000 0.947 361 D HN 0.245 nan 8.370 nan 0.000 0.494 362 L N 0.511 121.728 121.223 -0.009 0.000 2.156 362 L HA -0.065 4.274 4.340 -0.002 0.000 0.208 362 L C 2.558 179.411 176.870 -0.029 0.000 1.095 362 L CA 0.461 55.289 54.840 -0.019 0.000 0.770 362 L CB -0.296 41.765 42.059 0.003 0.000 0.914 362 L HN 0.008 nan 8.230 nan 0.000 0.439 363 L N -0.115 121.086 121.223 -0.037 0.000 2.093 363 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 363 L C 2.923 179.768 176.870 -0.041 0.000 1.085 363 L CA 1.026 55.838 54.840 -0.046 0.000 0.755 363 L CB -0.718 41.298 42.059 -0.071 0.000 0.904 363 L HN 0.227 nan 8.230 nan 0.000 0.435 364 A N -0.347 122.449 122.820 -0.040 0.000 1.940 364 A HA -0.291 4.028 4.320 -0.002 0.000 0.219 364 A C 2.206 179.773 177.584 -0.029 0.000 1.176 364 A CA 1.866 53.882 52.037 -0.034 0.000 0.631 364 A CB -0.476 18.504 19.000 -0.033 0.000 0.814 364 A HN 0.378 nan 8.150 nan 0.000 0.446 365 Q N -0.496 119.285 119.800 -0.031 0.000 2.167 365 Q HA 0.071 4.410 4.340 -0.002 0.000 0.202 365 Q C 1.776 177.760 176.000 -0.026 0.000 0.970 365 Q CA 1.578 57.362 55.803 -0.031 0.000 0.855 365 Q CB -0.430 28.285 28.738 -0.039 0.000 0.911 365 Q HN 0.584 nan 8.270 nan 0.000 0.438 366 A N -0.340 122.465 122.820 -0.025 0.000 2.278 366 A HA 0.116 4.435 4.320 -0.002 0.000 0.212 366 A C -0.031 177.542 177.584 -0.018 0.000 1.213 366 A CA 0.274 52.300 52.037 -0.019 0.000 0.840 366 A CB -0.216 18.774 19.000 -0.017 0.000 0.866 366 A HN 0.369 nan 8.150 nan 0.000 0.489 367 K N -1.337 119.050 120.400 -0.021 0.000 3.150 367 K HA -0.147 4.172 4.320 -0.002 0.000 0.267 367 K C -0.500 176.087 176.600 -0.021 0.000 1.028 367 K CA 0.799 57.074 56.287 -0.019 0.000 0.753 367 K CB -1.844 30.647 32.500 -0.014 0.000 1.288 367 K HN 0.511 nan 8.250 nan 0.000 0.473 368 L N -0.077 121.129 121.223 -0.028 0.000 3.193 368 L HA 0.108 4.447 4.340 -0.002 0.000 0.305 368 L C 1.556 178.400 176.870 -0.043 0.000 1.299 368 L CA -0.037 54.783 54.840 -0.033 0.000 0.904 368 L CB 0.724 42.761 42.059 -0.037 0.000 1.331 368 L HN 0.333 nan 8.230 nan 0.000 0.588 369 S N -1.564 114.113 115.700 -0.038 0.000 2.382 369 S HA -0.179 4.290 4.470 -0.002 0.000 0.228 369 S C 1.894 176.467 174.600 -0.045 0.000 1.027 369 S CA 1.663 59.838 58.200 -0.042 0.000 0.991 369 S CB -0.587 62.594 63.200 -0.032 0.000 0.823 369 S HN 0.588 nan 8.310 nan 0.000 0.469 370 T N -0.310 114.223 114.554 -0.036 0.000 3.160 370 T HA 0.276 4.625 4.350 -0.002 0.000 0.257 370 T C 1.503 176.180 174.700 -0.039 0.000 1.147 370 T CA 0.325 62.406 62.100 -0.032 0.000 1.064 370 T CB -0.507 68.348 68.868 -0.022 0.000 0.949 370 T HN 0.339 nan 8.240 nan 0.000 0.526 371 L N 0.194 121.387 121.223 -0.051 0.000 1.961 371 L HA 0.195 4.534 4.340 -0.002 0.000 0.210 371 L C 1.219 178.041 176.870 -0.080 0.000 1.072 371 L CA 1.487 56.292 54.840 -0.059 0.000 0.749 371 L CB -0.042 41.974 42.059 -0.070 0.000 0.889 371 L HN 0.301 nan 8.230 nan 0.000 0.432 372 L N -0.033 121.116 121.223 -0.124 0.000 3.047 372 L HA 0.325 4.664 4.340 -0.002 0.000 0.242 372 L C 0.498 177.305 176.870 -0.104 0.000 1.315 372 L CA -0.312 54.433 54.840 -0.157 0.000 1.042 372 L CB 0.159 42.007 42.059 -0.351 0.000 1.420 372 L HN 0.249 nan 8.230 nan 0.000 0.517 373 G N -0.486 108.277 108.800 -0.061 0.000 3.310 373 G HA2 0.453 4.412 3.960 -0.002 0.000 0.176 373 G HA3 0.453 4.412 3.960 -0.002 0.000 0.176 373 G C 0.962 175.852 174.900 -0.017 0.000 1.307 373 G CA 0.568 45.645 45.100 -0.039 0.000 0.935 373 G HN 0.170 nan 8.290 nan 0.000 0.628 374 A N -0.591 122.222 122.820 -0.012 0.000 1.872 374 A HA 0.146 4.465 4.320 -0.002 0.000 0.214 374 A C 1.833 179.415 177.584 -0.003 0.000 1.187 374 A CA 1.893 53.928 52.037 -0.003 0.000 0.614 374 A CB -0.265 18.733 19.000 -0.003 0.000 0.826 374 A HN 0.389 nan 8.150 nan 0.000 0.442 375 E N -0.217 119.979 120.200 -0.007 0.000 2.437 375 E HA 0.446 4.795 4.350 -0.002 0.000 0.195 375 E C 0.065 176.661 176.600 -0.007 0.000 1.029 375 E CA 0.251 56.647 56.400 -0.006 0.000 0.948 375 E CB 0.186 29.882 29.700 -0.006 0.000 1.082 375 E HN 0.499 nan 8.360 nan 0.000 0.456 376 A N 1.474 124.290 122.820 -0.007 0.000 2.444 376 A HA 0.097 4.416 4.320 -0.002 0.000 0.273 376 A C 0.221 177.805 177.584 -0.000 0.000 1.136 376 A CA -0.327 51.707 52.037 -0.005 0.000 0.799 376 A CB -0.096 18.900 19.000 -0.006 0.000 1.081 376 A HN 0.082 nan 8.150 nan 0.000 0.509 377 N N 2.971 121.667 118.700 -0.005 0.000 2.402 377 N HA 0.193 4.932 4.740 -0.002 0.000 0.259 377 N C -0.636 174.861 175.510 -0.022 0.000 1.167 377 N CA 0.161 53.202 53.050 -0.015 0.000 0.949 377 N CB 0.038 38.515 38.487 -0.016 0.000 1.212 377 N HN 0.601 nan 8.380 nan 0.000 0.493 378 L N 2.791 123.994 121.223 -0.033 0.000 2.892 378 L HA 0.340 4.679 4.340 -0.002 0.000 0.251 378 L C 1.668 178.468 176.870 -0.117 0.000 1.339 378 L CA -0.508 54.289 54.840 -0.071 0.000 0.900 378 L CB 0.902 42.934 42.059 -0.045 0.000 1.246 378 L HN 0.517 nan 8.230 nan 0.000 0.524 379 G N -0.003 108.741 108.800 -0.093 0.000 2.443 379 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.219 379 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.219 379 G C 1.449 176.284 174.900 -0.109 0.000 1.131 379 G CA 0.284 45.332 45.100 -0.086 0.000 0.775 379 G HN 0.352 nan 8.290 nan 0.000 0.547 380 K N -0.353 119.965 120.400 -0.136 0.000 2.432 380 K HA 0.214 4.533 4.320 -0.002 0.000 0.196 380 K C 2.333 178.782 176.600 -0.251 0.000 1.038 380 K CA 0.275 56.489 56.287 -0.121 0.000 0.986 380 K CB -0.064 32.404 32.500 -0.054 0.000 0.782 380 K HN 0.299 nan 8.250 nan 0.000 0.485 381 M N -0.193 119.130 119.600 -0.462 0.000 2.349 381 M HA 0.019 4.498 4.480 -0.002 0.000 0.266 381 M C 0.957 177.067 176.300 -0.316 0.000 1.076 381 M CA 0.638 55.489 55.300 -0.748 0.000 1.126 381 M CB 0.377 32.511 32.600 -0.778 0.000 1.392 381 M HN 0.178 nan 8.290 nan 0.000 0.440 382 G N -0.536 108.153 108.800 -0.185 0.000 2.548 382 G HA2 0.139 4.098 3.960 -0.002 0.000 0.301 382 G HA3 0.139 4.098 3.960 -0.002 0.000 0.301 382 G C -0.507 174.348 174.900 -0.074 0.000 1.349 382 G CA -0.171 44.863 45.100 -0.110 0.000 0.792 382 G HN 0.221 nan 8.290 nan 0.000 0.481 383 D N -1.010 119.354 120.400 -0.059 0.000 2.218 383 D HA -0.050 4.589 4.640 -0.002 0.000 0.204 383 D C 1.109 177.384 176.300 -0.041 0.000 0.976 383 D CA 1.783 55.758 54.000 -0.041 0.000 0.853 383 D CB -0.257 40.521 40.800 -0.036 0.000 0.939 383 D HN 0.647 nan 8.370 nan 0.000 0.481 384 T N -1.894 112.631 114.554 -0.049 0.000 2.893 384 T HA 0.294 4.643 4.350 -0.002 0.000 0.291 384 T C -0.412 174.261 174.700 -0.046 0.000 1.028 384 T CA -1.127 60.949 62.100 -0.040 0.000 0.995 384 T CB 1.847 70.695 68.868 -0.032 0.000 1.051 384 T HN -0.086 nan 8.240 nan 0.000 0.470 385 N N 3.949 122.627 118.700 -0.037 0.000 2.429 385 N HA 0.229 4.968 4.740 -0.002 0.000 0.271 385 N C -2.141 173.357 175.510 -0.021 0.000 1.272 385 N CA -1.259 51.769 53.050 -0.036 0.000 0.921 385 N CB 0.121 38.592 38.487 -0.026 0.000 1.128 385 N HN 0.511 nan 8.380 nan 0.000 0.481 386 P HA 0.267 nan 4.420 nan 0.000 0.288 386 P C -0.906 176.419 177.300 0.042 0.000 1.267 386 P CA -0.375 62.731 63.100 0.010 0.000 0.815 386 P CB 1.006 32.710 31.700 0.006 0.000 0.989 387 R N 1.412 121.946 120.500 0.057 0.000 2.210 387 R HA 0.345 4.684 4.340 -0.002 0.000 0.338 387 R C -0.266 176.104 176.300 0.117 0.000 1.062 387 R CA -0.781 55.361 56.100 0.070 0.000 0.902 387 R CB 0.494 30.830 30.300 0.060 0.000 1.050 387 R HN 0.289 nan 8.270 nan 0.000 0.461 388 V N 3.627 123.614 119.914 0.120 0.000 2.508 388 V HA 0.065 4.184 4.120 -0.002 0.000 0.281 388 V C 1.374 177.531 176.094 0.106 0.000 1.041 388 V CA 0.353 62.754 62.300 0.168 0.000 1.016 388 V CB 1.186 33.113 31.823 0.173 0.000 0.984 388 V HN 1.046 nan 8.190 nan 0.000 0.478 389 G N 4.727 113.611 108.800 0.140 0.000 2.624 389 G HA2 0.071 4.030 3.960 -0.002 0.000 0.216 389 G HA3 0.071 4.030 3.960 -0.002 0.000 0.216 389 G C 0.336 175.055 174.900 -0.302 0.000 1.274 389 G CA 0.446 45.525 45.100 -0.036 0.000 0.856 389 G HN 0.771 nan 8.290 nan 0.000 0.555 390 E N -1.373 118.458 120.200 -0.615 0.000 2.369 390 E HA 0.568 4.917 4.350 -0.002 0.000 0.270 390 E C -1.814 174.692 176.600 -0.157 0.000 0.909 390 E CA -0.898 55.248 56.400 -0.422 0.000 0.775 390 E CB 2.461 31.818 29.700 -0.571 0.000 1.270 390 E HN -0.013 nan 8.360 nan 0.000 0.445 391 V N 2.529 122.407 119.914 -0.059 0.000 2.320 391 V HA 0.172 4.291 4.120 -0.002 0.000 0.257 391 V C -0.527 175.594 176.094 0.044 0.000 0.996 391 V CA -0.578 61.778 62.300 0.093 0.000 0.928 391 V CB 0.239 32.056 31.823 -0.010 0.000 1.169 391 V HN 0.599 nan 8.190 nan 0.000 0.475 392 L N 2.816 124.051 121.223 0.021 0.000 2.456 392 L HA 0.315 4.654 4.340 -0.002 0.000 0.272 392 L C 0.517 177.270 176.870 -0.195 0.000 1.189 392 L CA 0.956 55.726 54.840 -0.116 0.000 0.846 392 L CB 0.401 42.382 42.059 -0.130 0.000 1.111 392 L HN 0.542 nan 8.230 nan 0.000 0.475 393 N N 1.552 120.001 118.700 -0.417 0.000 2.491 393 N HA 0.378 5.117 4.740 -0.002 0.000 0.274 393 N C -1.336 173.882 175.510 -0.486 0.000 1.023 393 N CA -0.424 52.344 53.050 -0.469 0.000 0.902 393 N CB 1.290 39.416 38.487 -0.602 0.000 1.267 393 N HN 0.466 nan 8.380 nan 0.000 0.503 394 S N 2.290 117.821 115.700 -0.281 0.000 2.478 394 S HA 0.507 4.976 4.470 -0.002 0.000 0.312 394 S C -0.277 174.398 174.600 0.125 0.000 1.094 394 S CA -0.505 57.661 58.200 -0.057 0.000 1.081 394 S CB 1.013 64.232 63.200 0.033 0.000 1.007 394 S HN 0.365 nan 8.310 nan 0.000 0.475 395 I N 2.954 123.629 120.570 0.174 0.000 2.562 395 I HA 0.458 4.627 4.170 -0.002 0.000 0.301 395 I C -1.034 175.188 176.117 0.175 0.000 1.003 395 I CA -0.910 60.533 61.300 0.238 0.000 1.127 395 I CB 1.716 39.918 38.000 0.337 0.000 1.304 395 I HN 0.343 nan 8.210 nan 0.000 0.446 396 L N 7.386 128.677 121.223 0.114 0.000 2.401 396 L HA 0.485 4.824 4.340 -0.002 0.000 0.263 396 L C -1.307 175.595 176.870 0.054 0.000 1.004 396 L CA -0.163 54.702 54.840 0.040 0.000 0.881 396 L CB 1.102 43.096 42.059 -0.110 0.000 1.219 396 L HN 0.475 nan 8.230 nan 0.000 0.441 397 L N 4.443 125.676 121.223 0.018 0.000 2.264 397 L HA 0.523 4.862 4.340 -0.002 0.000 0.289 397 L C -0.500 176.332 176.870 -0.062 0.000 1.044 397 L CA -0.143 54.662 54.840 -0.057 0.000 0.807 397 L CB 0.857 42.816 42.059 -0.168 0.000 1.192 397 L HN 0.629 nan 8.230 nan 0.000 0.425 398 E N 5.405 125.578 120.200 -0.045 0.000 2.199 398 E HA 0.423 4.772 4.350 -0.002 0.000 0.265 398 E C -1.475 175.076 176.600 -0.083 0.000 0.882 398 E CA -0.764 55.588 56.400 -0.080 0.000 0.759 398 E CB 2.507 32.155 29.700 -0.086 0.000 1.148 398 E HN 0.386 nan 8.360 nan 0.000 0.412 399 L N 3.119 124.291 121.223 -0.085 0.000 2.322 399 L HA 0.377 4.716 4.340 -0.002 0.000 0.281 399 L C -0.256 176.563 176.870 -0.084 0.000 1.014 399 L CA -0.181 54.606 54.840 -0.088 0.000 0.815 399 L CB 1.479 43.472 42.059 -0.110 0.000 1.247 399 L HN 0.480 nan 8.230 nan 0.000 0.421 400 Q N 1.554 121.305 119.800 -0.082 0.000 2.615 400 Q HA 0.807 5.146 4.340 -0.002 0.000 0.298 400 Q C -0.974 175.015 176.000 -0.018 0.000 1.023 400 Q CA -1.303 54.473 55.803 -0.046 0.000 0.768 400 Q CB 1.782 30.491 28.738 -0.049 0.000 1.500 400 Q HN 0.645 nan 8.270 nan 0.000 0.441 401 A N 0.406 123.238 122.820 0.021 0.000 2.511 401 A HA 0.555 4.874 4.320 -0.002 0.000 0.242 401 A C 0.241 177.849 177.584 0.040 0.000 1.069 401 A CA 0.635 52.709 52.037 0.062 0.000 0.763 401 A CB -0.167 18.874 19.000 0.068 0.000 1.001 401 A HN 0.634 nan 8.150 nan 0.000 0.498 402 G N 1.380 110.219 108.800 0.065 0.000 2.416 402 G HA2 0.591 4.550 3.960 -0.002 0.000 0.329 402 G HA3 0.591 4.550 3.960 -0.002 0.000 0.329 402 G C -0.630 174.299 174.900 0.049 0.000 1.173 402 G CA -0.339 44.787 45.100 0.042 0.000 0.929 402 G HN 0.771 nan 8.290 nan 0.000 0.475 412 Q N 0.081 119.824 119.800 -0.095 0.000 2.882 412 Q HA 0.408 4.747 4.340 -0.002 0.000 0.315 412 Q C -0.820 175.144 176.000 -0.060 0.000 1.004 412 Q CA -0.667 55.094 55.803 -0.069 0.000 0.777 412 Q CB 1.357 30.055 28.738 -0.068 0.000 1.506 412 Q HN 0.852 nan 8.270 nan 0.000 0.489 413 Q N 1.549 121.321 119.800 -0.046 0.000 2.311 413 Q HA 0.236 4.575 4.340 -0.002 0.000 0.272 413 Q C -2.062 173.913 176.000 -0.041 0.000 1.012 413 Q CA -1.457 54.323 55.803 -0.038 0.000 0.891 413 Q CB -0.051 28.669 28.738 -0.030 0.000 1.201 413 Q HN 0.129 nan 8.270 nan 0.000 0.391 414 P HA -0.098 nan 4.420 nan 0.000 0.261 414 P C 0.334 177.615 177.300 -0.032 0.000 1.173 414 P CA 0.996 64.073 63.100 -0.037 0.000 0.760 414 P CB 0.222 31.904 31.700 -0.030 0.000 0.783 415 G N 1.984 110.764 108.800 -0.034 0.000 2.221 415 G HA2 -0.261 3.698 3.960 -0.002 0.000 0.265 415 G HA3 -0.261 3.698 3.960 -0.002 0.000 0.265 415 G C 0.442 175.326 174.900 -0.028 0.000 1.041 415 G CA 0.172 45.255 45.100 -0.028 0.000 0.807 415 G HN 0.746 nan 8.290 nan 0.000 0.502 416 S N 0.490 116.170 115.700 -0.033 0.000 2.560 416 S HA 0.419 4.888 4.470 -0.002 0.000 0.284 416 S C 0.422 175.006 174.600 -0.027 0.000 1.327 416 S CA -0.324 57.858 58.200 -0.030 0.000 1.055 416 S CB 0.986 64.164 63.200 -0.037 0.000 0.868 416 S HN 0.253 nan 8.310 nan 0.000 0.506 417 P HA -0.100 nan 4.420 nan 0.000 0.222 417 P C 0.052 177.339 177.300 -0.020 0.000 1.147 417 P CA 0.875 63.963 63.100 -0.020 0.000 0.790 417 P CB -0.169 31.522 31.700 -0.016 0.000 0.780 418 E N 0.943 121.130 120.200 -0.023 0.000 2.201 418 E HA 0.330 4.679 4.350 -0.002 0.000 0.272 418 E C -0.861 175.720 176.600 -0.031 0.000 1.228 418 E CA -0.568 55.818 56.400 -0.023 0.000 1.305 418 E CB -0.007 29.681 29.700 -0.020 0.000 1.381 418 E HN -0.043 nan 8.360 nan 0.000 0.475 419 V N 1.986 121.880 119.914 -0.032 0.000 2.439 419 V HA 0.246 4.365 4.120 -0.002 0.000 0.277 419 V C -0.230 175.842 176.094 -0.037 0.000 1.008 419 V CA -1.070 61.208 62.300 -0.038 0.000 0.846 419 V CB 0.422 32.220 31.823 -0.042 0.000 1.031 419 V HN 0.494 nan 8.190 nan 0.000 0.441 420 L N 1.604 122.802 121.223 -0.041 0.000 2.281 420 L HA 0.740 5.079 4.340 -0.002 0.000 0.285 420 L C 0.110 176.945 176.870 -0.059 0.000 1.074 420 L CA -0.209 54.600 54.840 -0.052 0.000 0.817 420 L CB 0.749 42.769 42.059 -0.065 0.000 1.168 420 L HN 0.649 nan 8.230 nan 0.000 0.434 421 D N 3.180 123.549 120.400 -0.052 0.000 2.316 421 D HA 0.197 4.836 4.640 -0.002 0.000 0.245 421 D C -0.183 176.083 176.300 -0.058 0.000 1.171 421 D CA -0.380 53.594 54.000 -0.043 0.000 0.856 421 D CB 1.840 42.619 40.800 -0.035 0.000 1.090 421 D HN 0.364 nan 8.370 nan 0.000 0.476 422 V N 3.090 122.969 119.914 -0.058 0.000 2.461 422 V HA 0.284 4.403 4.120 -0.002 0.000 0.275 422 V C 0.428 176.509 176.094 -0.022 0.000 1.047 422 V CA -0.019 62.247 62.300 -0.056 0.000 0.955 422 V CB 1.309 33.094 31.823 -0.063 0.000 0.988 422 V HN 0.651 nan 8.190 nan 0.000 0.471 423 T N 6.703 121.241 114.554 -0.027 0.000 2.879 423 T HA 0.513 4.862 4.350 -0.002 0.000 0.290 423 T C -0.373 174.301 174.700 -0.043 0.000 0.993 423 T CA -0.362 61.720 62.100 -0.029 0.000 0.975 423 T CB 0.986 69.840 68.868 -0.025 0.000 0.981 423 T HN 0.383 nan 8.240 nan 0.000 0.439 424 L N 3.742 124.918 121.223 -0.079 0.000 2.353 424 L HA 0.367 4.706 4.340 -0.002 0.000 0.269 424 L C 0.748 177.641 176.870 0.039 0.000 1.085 424 L CA -0.506 54.256 54.840 -0.130 0.000 0.938 424 L CB 0.224 41.977 42.059 -0.511 0.000 1.312 424 L HN 0.714 nan 8.230 nan 0.000 0.429 425 S N -0.534 115.160 115.700 -0.011 0.000 2.661 425 S HA 0.471 4.940 4.470 -0.002 0.000 0.245 425 S C 0.054 174.312 174.600 -0.570 0.000 1.117 425 S CA -0.519 57.627 58.200 -0.090 0.000 1.091 425 S CB 0.161 63.364 63.200 0.005 0.000 0.887 425 S HN 0.529 nan 8.310 nan 0.000 0.491 426 S N -0.892 114.392 115.700 -0.692 0.000 2.597 426 S HA 0.557 5.026 4.470 -0.002 0.000 0.274 426 S C -3.530 171.066 174.600 -0.006 0.000 1.132 426 S CA -1.268 56.580 58.200 -0.587 0.000 0.835 426 S CB -0.089 63.072 63.200 -0.065 0.000 1.092 426 S HN 0.012 nan 8.310 nan 0.000 0.457 427 P HA 0.218 nan 4.420 nan 0.000 0.259 427 P C -0.730 176.778 177.300 0.347 0.000 1.155 427 P CA 0.637 63.918 63.100 0.302 0.000 0.759 427 P CB -0.465 31.321 31.700 0.145 0.000 0.753 428 F N 1.327 121.400 119.950 0.205 0.000 2.643 428 F HA 0.671 5.196 4.527 -0.002 0.000 0.314 428 F C -1.420 174.472 175.800 0.153 0.000 1.096 428 F CA -1.552 56.530 58.000 0.137 0.000 0.953 428 F CB 0.995 40.091 39.000 0.159 0.000 1.345 428 F HN -0.051 nan 8.300 nan 0.000 0.468 429 L N 2.255 123.575 121.223 0.161 0.000 2.352 429 L HA 0.654 4.992 4.340 -0.002 0.000 0.269 429 L C -0.807 176.273 176.870 0.350 0.000 1.034 429 L CA -1.000 53.889 54.840 0.083 0.000 0.806 429 L CB 1.750 43.667 42.059 -0.236 0.000 1.244 429 L HN 0.819 nan 8.230 nan 0.000 0.447 430 F N 0.270 120.388 119.950 0.279 0.000 2.599 430 F HA 0.933 5.459 4.527 -0.002 0.000 0.311 430 F C -0.804 175.179 175.800 0.305 0.000 1.076 430 F CA -0.927 57.242 58.000 0.282 0.000 0.937 430 F CB 1.785 40.910 39.000 0.209 0.000 1.282 430 F HN 0.450 nan 8.300 nan 0.000 0.460 431 A N 2.936 125.978 122.820 0.371 0.000 2.574 431 A HA 0.765 5.084 4.320 -0.002 0.000 0.297 431 A C -1.783 175.981 177.584 0.301 0.000 1.062 431 A CA -0.702 51.481 52.037 0.244 0.000 0.686 431 A CB 1.331 20.521 19.000 0.317 0.000 1.285 431 A HN 0.855 nan 8.150 nan 0.000 0.403 432 I N 1.787 122.512 120.570 0.260 0.000 2.404 432 I HA 0.438 4.607 4.170 -0.002 0.000 0.293 432 I C -1.144 175.151 176.117 0.297 0.000 0.992 432 I CA -0.559 60.870 61.300 0.215 0.000 1.149 432 I CB 1.669 39.706 38.000 0.062 0.000 1.315 432 I HN 0.754 nan 8.210 nan 0.000 0.446 433 Y N 6.303 126.688 120.300 0.141 0.000 2.442 433 Y HA 0.445 4.994 4.550 -0.002 0.000 0.344 433 Y C -0.828 175.160 175.900 0.146 0.000 0.976 433 Y CA -0.666 57.523 58.100 0.147 0.000 1.040 433 Y CB 1.638 40.165 38.460 0.111 0.000 1.228 433 Y HN 0.442 nan 8.280 nan 0.000 0.451 434 E N 5.798 125.714 120.200 -0.473 0.000 2.199 434 E HA 0.318 4.667 4.350 -0.002 0.000 0.265 434 E C -0.189 176.037 176.600 -0.622 0.000 0.882 434 E CA -0.404 55.793 56.400 -0.338 0.000 0.759 434 E CB 1.502 31.168 29.700 -0.056 0.000 1.148 434 E HN 0.999 nan 8.360 nan 0.000 0.412 435 R N 2.397 122.699 120.500 -0.329 0.000 2.073 435 R HA -0.053 4.286 4.340 -0.002 0.000 0.229 435 R C 1.123 177.358 176.300 -0.108 0.000 1.120 435 R CA 1.076 57.065 56.100 -0.184 0.000 0.967 435 R CB 0.183 30.504 30.300 0.035 0.000 0.862 435 R HN 0.481 nan 8.270 nan 0.000 0.436 436 D N 0.581 120.936 120.400 -0.074 0.000 2.092 436 D HA -0.143 4.496 4.640 -0.002 0.000 0.193 436 D C 2.074 178.344 176.300 -0.051 0.000 0.994 436 D CA 2.110 56.087 54.000 -0.038 0.000 0.828 436 D CB -0.203 40.586 40.800 -0.020 0.000 0.963 436 D HN 0.231 nan 8.370 nan 0.000 0.450 437 S N -0.837 114.819 115.700 -0.074 0.000 2.414 437 S HA 0.139 4.608 4.470 -0.002 0.000 0.227 437 S C 1.855 176.391 174.600 -0.107 0.000 1.022 437 S CA 1.079 59.233 58.200 -0.077 0.000 0.958 437 S CB 0.154 63.319 63.200 -0.059 0.000 0.797 437 S HN 0.373 nan 8.310 nan 0.000 0.493 438 G N 1.136 109.826 108.800 -0.184 0.000 2.137 438 G HA2 -0.032 3.927 3.960 -0.002 0.000 0.237 438 G HA3 -0.032 3.927 3.960 -0.002 0.000 0.237 438 G C 0.092 174.914 174.900 -0.129 0.000 1.002 438 G CA -0.049 44.969 45.100 -0.136 0.000 0.702 438 G HN 1.269 nan 8.290 nan 0.000 0.515 439 A N 0.015 122.683 122.820 -0.254 0.000 2.320 439 A HA 0.739 5.058 4.320 -0.002 0.000 0.287 439 A C 0.428 177.892 177.584 -0.201 0.000 1.181 439 A CA -0.296 51.572 52.037 -0.283 0.000 0.831 439 A CB 0.592 19.323 19.000 -0.449 0.000 1.102 439 A HN 0.806 nan 8.150 nan 0.000 0.513 440 L N 3.439 124.586 121.223 -0.127 0.000 2.278 440 L HA 0.255 4.594 4.340 -0.002 0.000 0.287 440 L C 1.089 177.825 176.870 -0.224 0.000 1.072 440 L CA -0.317 54.508 54.840 -0.026 0.000 0.819 440 L CB 0.607 42.639 42.059 -0.044 0.000 1.176 440 L HN 0.884 nan 8.230 nan 0.000 0.435 441 H N 3.728 122.762 119.070 -0.059 0.000 2.476 441 H HA 0.221 4.776 4.556 -0.002 0.000 0.292 441 H C -0.472 174.604 175.328 -0.421 0.000 1.019 441 H CA 0.710 56.669 56.048 -0.149 0.000 1.330 441 H CB 0.771 30.573 29.762 0.066 0.000 1.451 441 H HN 0.322 nan 8.280 nan 0.000 0.535 442 F N 0.553 120.507 119.950 0.006 0.000 2.608 442 F HA 0.349 4.875 4.527 -0.002 0.000 0.309 442 F C -1.036 174.695 175.800 -0.114 0.000 1.103 442 F CA -1.199 56.792 58.000 -0.016 0.000 0.954 442 F CB 2.190 41.195 39.000 0.009 0.000 1.267 442 F HN -0.175 nan 8.300 nan 0.000 0.444 443 L N 0.659 121.777 121.223 -0.174 0.000 2.582 443 L HA 1.130 5.469 4.340 -0.002 0.000 0.257 443 L C -0.702 175.494 176.870 -1.123 0.000 0.974 443 L CA -0.504 53.842 54.840 -0.823 0.000 0.851 443 L CB 1.867 43.260 42.059 -1.110 0.000 1.424 443 L HN 0.837 nan 8.230 nan 0.000 0.412 444 G N 0.529 108.334 108.800 -1.660 0.000 2.340 444 G HA2 0.523 4.482 3.960 -0.002 0.000 0.299 444 G HA3 0.523 4.482 3.960 -0.002 0.000 0.299 444 G C -2.198 172.500 174.900 -0.337 0.000 1.291 444 G CA -0.925 43.700 45.100 -0.791 0.000 0.841 444 G HN 0.779 nan 8.290 nan 0.000 0.500 445 R N -0.442 120.120 120.500 0.104 0.000 2.480 445 R HA 0.642 4.981 4.340 -0.002 0.000 0.306 445 R C -1.330 175.015 176.300 0.076 0.000 0.958 445 R CA -0.530 55.632 56.100 0.103 0.000 0.861 445 R CB 2.016 32.384 30.300 0.114 0.000 1.171 445 R HN 0.351 nan 8.270 nan 0.000 0.445 446 V N 5.415 125.247 119.914 -0.135 0.000 2.294 446 V HA 0.152 4.271 4.120 -0.002 0.000 0.272 446 V C -0.152 175.872 176.094 -0.118 0.000 1.027 446 V CA -0.324 61.822 62.300 -0.257 0.000 0.823 446 V CB 1.211 32.590 31.823 -0.739 0.000 1.030 446 V HN 0.872 nan 8.190 nan 0.000 0.457 447 D N 2.590 122.987 120.400 -0.005 0.000 2.301 447 D HA 0.076 4.715 4.640 -0.002 0.000 0.206 447 D C 0.608 177.003 176.300 0.159 0.000 0.979 447 D CA 0.797 54.852 54.000 0.091 0.000 0.874 447 D CB 0.495 41.318 40.800 0.038 0.000 0.968 447 D HN 0.501 nan 8.370 nan 0.000 0.510 448 N N 0.047 118.753 118.700 0.009 0.000 2.600 448 N HA 0.103 4.842 4.740 -0.002 0.000 0.272 448 N C -2.809 172.583 175.510 -0.195 0.000 1.095 448 N CA -0.994 52.011 53.050 -0.075 0.000 0.993 448 N CB 2.267 40.749 38.487 -0.008 0.000 1.603 448 N HN -0.264 nan 8.380 nan 0.000 0.526 449 P HA 0.204 nan 4.420 nan 0.000 0.231 449 P C -0.548 176.657 177.300 -0.158 0.000 1.833 449 P CA 0.220 63.166 63.100 -0.257 0.000 1.023 449 P CB -0.007 31.488 31.700 -0.342 0.000 1.643 450 Q N 0.000 119.735 119.800 -0.108 0.000 2.315 450 Q HA 0.000 4.339 4.340 -0.002 0.000 0.214 450 Q CA 0.000 55.768 55.803 -0.058 0.000 1.022 450 Q CB 0.000 28.713 28.738 -0.042 0.000 1.108 450 Q HN 0.000 nan 8.270 nan 0.000 0.481