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 3qki_1_B DATA FIRST_RESID 4 DATA SEQUENCE EITNLKSYKE LVTLSAEEKT KDLKDYLNDK NRSESLIKKF KNFYMDLSRQ DATA SEQUENCE RYSEKTLNKL VEYAEEVELK KKVEKTFMGE KVNMTENRSV LHTALRIPIE DATA SEQUENCE KINTHKIIID NKNVLEDVHG VLKKIEKYSD DIRNGVIKTC KNTKFKNVIC DATA SEQUENCE IGIGGSYLGT EFVYEAMKYY YYNMELNKNE KDQVNNFNNN YDQDNVFNVR DATA SEQUENCE FLANVDPNDV NRAIQNLDQY DTLVIIISKT FTTAETMLNA RSIKKWLSLK DATA SEQUENCE IKDDENLSKH MVAVSTNLKL TDEFGISRDN VFEFWDWVGG RFSVTSSVGI DATA SEQUENCE LPLSIAFGYK NMRNFLNGCH DMDEHFLHAD LKENIPVLLA LTSFYNSHFF DATA SEQUENCE DYKNVAILPY FQNLLKFSAH IQQLSMESNG KSVDRNNQPI HYNTCQVYFG DATA SEQUENCE EPGTNGQHSF YQLIHQGQVI PVELIGFKHS HFPIKFDKEV VSNHDELMTN DATA SEQUENCE FFAQADALAI GKTYEQVKEE NEKNKMSPEL LTHKVFNGNR PSTLLLFDEL DATA SEQUENCE NFYTCGLLLS LYESRIVAEG FLLNINSFDQ WGVELGKVLA KEVRNYFNDT DATA SEQUENCE RNQKKSDNTY NFNESTKILL NYYLS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.606 176.600 0.009 0.000 1.382 4 E CA 0.000 56.444 56.400 0.073 0.000 0.976 4 E CB 0.000 29.744 29.700 0.074 0.000 0.812 5 I N 1.348 121.898 120.570 -0.033 0.000 2.335 5 I HA -0.160 4.009 4.170 -0.001 0.000 0.251 5 I C 2.439 178.360 176.117 -0.325 0.000 1.129 5 I CA 2.076 63.319 61.300 -0.095 0.000 1.402 5 I CB -0.897 37.063 38.000 -0.067 0.000 1.069 5 I HN 0.010 nan 8.210 nan 0.000 0.424 6 T N -1.761 112.442 114.554 -0.585 0.000 3.098 6 T HA -0.005 4.344 4.350 -0.001 0.000 0.266 6 T C 1.110 175.689 174.700 -0.202 0.000 1.145 6 T CA 1.381 62.969 62.100 -0.854 0.000 1.092 6 T CB -0.961 67.606 68.868 -0.501 0.000 0.908 6 T HN 0.565 nan 8.240 nan 0.000 0.526 7 N N -0.028 118.638 118.700 -0.056 0.000 2.236 7 N HA 0.336 5.076 4.740 -0.001 0.000 0.196 7 N C -0.200 175.365 175.510 0.093 0.000 1.114 7 N CA -0.261 52.816 53.050 0.045 0.000 0.859 7 N CB 0.188 38.696 38.487 0.036 0.000 0.982 7 N HN 0.357 nan 8.380 nan 0.000 0.493 8 L N 1.397 122.701 121.223 0.135 0.000 2.426 8 L HA 0.068 4.407 4.340 -0.001 0.000 0.271 8 L C 1.797 178.798 176.870 0.218 0.000 1.169 8 L CA 0.009 54.956 54.840 0.178 0.000 0.836 8 L CB 0.814 43.020 42.059 0.244 0.000 1.112 8 L HN 0.156 nan 8.230 nan 0.000 0.465 9 K N 1.401 121.890 120.400 0.148 0.000 2.020 9 K HA -0.220 4.099 4.320 -0.001 0.000 0.212 9 K C 1.992 178.685 176.600 0.155 0.000 1.050 9 K CA 2.194 58.555 56.287 0.124 0.000 0.929 9 K CB -0.009 32.537 32.500 0.076 0.000 0.714 9 K HN 0.834 nan 8.250 nan 0.000 0.443 10 S N -0.517 115.296 115.700 0.189 0.000 2.423 10 S HA -0.187 4.283 4.470 -0.001 0.000 0.231 10 S C 1.995 176.746 174.600 0.251 0.000 1.014 10 S CA 0.886 59.209 58.200 0.204 0.000 0.965 10 S CB -0.656 62.684 63.200 0.233 0.000 0.785 10 S HN 0.485 nan 8.310 nan 0.000 0.495 11 Y N 2.459 122.927 120.300 0.280 0.000 2.163 11 Y HA 0.031 4.580 4.550 -0.001 0.000 0.288 11 Y C 2.317 178.304 175.900 0.145 0.000 1.136 11 Y CA 1.645 59.895 58.100 0.249 0.000 1.147 11 Y CB -0.322 38.329 38.460 0.318 0.000 0.987 11 Y HN 0.135 nan 8.280 nan 0.000 0.509 12 K N 0.097 120.701 120.400 0.339 0.000 2.103 12 K HA -0.206 4.113 4.320 -0.001 0.000 0.207 12 K C 1.957 178.584 176.600 0.045 0.000 1.048 12 K CA 1.957 58.366 56.287 0.203 0.000 0.930 12 K CB -0.158 32.447 32.500 0.174 0.000 0.716 12 K HN 0.470 nan 8.250 nan 0.000 0.444 13 E N 0.666 120.876 120.200 0.017 0.000 2.072 13 E HA -0.159 4.191 4.350 -0.001 0.000 0.191 13 E C 2.005 178.513 176.600 -0.154 0.000 0.985 13 E CA 0.844 57.219 56.400 -0.042 0.000 0.801 13 E CB -0.051 29.642 29.700 -0.012 0.000 0.750 13 E HN 0.219 nan 8.360 nan 0.000 0.452 14 L N 0.569 121.613 121.223 -0.297 0.000 2.131 14 L HA -0.181 4.158 4.340 -0.001 0.000 0.210 14 L C 2.404 178.795 176.870 -0.799 0.000 1.092 14 L CA 0.569 55.022 54.840 -0.644 0.000 0.759 14 L CB -0.282 41.143 42.059 -1.058 0.000 0.903 14 L HN 0.051 nan 8.230 nan 0.000 0.435 15 V N -0.174 119.428 119.914 -0.520 0.000 2.287 15 V HA -0.334 3.786 4.120 -0.001 0.000 0.248 15 V C 2.743 178.737 176.094 -0.167 0.000 1.053 15 V CA 2.503 64.677 62.300 -0.210 0.000 1.027 15 V CB -1.075 30.759 31.823 0.018 0.000 0.646 15 V HN 0.716 nan 8.190 nan 0.000 0.447 16 T N -1.844 112.633 114.554 -0.128 0.000 2.896 16 T HA -0.059 4.291 4.350 -0.001 0.000 0.263 16 T C 1.898 176.546 174.700 -0.086 0.000 1.050 16 T CA 1.220 63.269 62.100 -0.084 0.000 1.140 16 T CB -0.412 68.429 68.868 -0.045 0.000 0.877 16 T HN 0.341 nan 8.240 nan 0.000 0.457 17 L N 2.098 123.259 121.223 -0.103 0.000 2.046 17 L HA -0.082 4.258 4.340 -0.001 0.000 0.208 17 L C 3.297 180.160 176.870 -0.011 0.000 1.077 17 L CA 1.667 56.478 54.840 -0.048 0.000 0.747 17 L CB -0.751 41.278 42.059 -0.050 0.000 0.896 17 L HN 0.513 nan 8.230 nan 0.000 0.432 18 S N -0.001 115.647 115.700 -0.088 0.000 2.382 18 S HA -0.176 4.293 4.470 -0.001 0.000 0.228 18 S C 2.152 176.641 174.600 -0.185 0.000 1.027 18 S CA 0.853 58.994 58.200 -0.099 0.000 0.991 18 S CB -0.480 62.523 63.200 -0.329 0.000 0.823 18 S HN 0.353 nan 8.310 nan 0.000 0.469 19 A N 1.636 124.357 122.820 -0.165 0.000 1.933 19 A HA -0.095 4.225 4.320 -0.001 0.000 0.218 19 A C 2.190 179.736 177.584 -0.063 0.000 1.175 19 A CA 1.654 53.609 52.037 -0.136 0.000 0.628 19 A CB -0.826 18.113 19.000 -0.101 0.000 0.814 19 A HN 0.716 nan 8.150 nan 0.000 0.444 20 E N -0.469 119.718 120.200 -0.021 0.000 2.107 20 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 20 E C 1.775 178.418 176.600 0.071 0.000 0.982 20 E CA 0.904 57.316 56.400 0.020 0.000 0.809 20 E CB -0.043 29.673 29.700 0.027 0.000 0.756 20 E HN 0.507 nan 8.360 nan 0.000 0.459 21 E N 0.852 121.132 120.200 0.133 0.000 2.160 21 E HA -0.192 4.158 4.350 -0.001 0.000 0.195 21 E C 1.822 178.583 176.600 0.267 0.000 0.991 21 E CA 0.911 57.473 56.400 0.270 0.000 0.810 21 E CB -0.066 29.906 29.700 0.454 0.000 0.742 21 E HN 0.298 nan 8.360 nan 0.000 0.466 22 K N 0.158 120.651 120.400 0.154 0.000 2.280 22 K HA -0.083 4.236 4.320 -0.001 0.000 0.202 22 K C 1.988 178.648 176.600 0.099 0.000 1.047 22 K CA 1.508 57.875 56.287 0.132 0.000 0.942 22 K CB -0.109 32.361 32.500 -0.051 0.000 0.739 22 K HN 0.173 nan 8.250 nan 0.000 0.457 23 T N -1.669 112.923 114.554 0.063 0.000 3.107 23 T HA 0.121 4.471 4.350 -0.001 0.000 0.249 23 T C 0.359 175.069 174.700 0.016 0.000 1.096 23 T CA -0.202 61.917 62.100 0.032 0.000 1.012 23 T CB 0.155 69.031 68.868 0.012 0.000 0.977 23 T HN -0.069 nan 8.240 nan 0.000 0.527 24 K N 1.558 121.975 120.400 0.027 0.000 2.156 24 K HA 0.468 4.787 4.320 -0.001 0.000 0.254 24 K C -1.259 175.310 176.600 -0.052 0.000 0.950 24 K CA -0.894 55.352 56.287 -0.069 0.000 0.849 24 K CB 1.285 33.695 32.500 -0.150 0.000 1.100 24 K HN 0.132 nan 8.250 nan 0.000 0.434 25 D N 2.532 122.858 120.400 -0.123 0.000 2.198 25 D HA 0.127 4.766 4.640 -0.001 0.000 0.245 25 D C 1.306 177.573 176.300 -0.055 0.000 1.079 25 D CA -0.276 53.692 54.000 -0.054 0.000 0.854 25 D CB 1.581 42.360 40.800 -0.035 0.000 1.148 25 D HN 0.325 nan 8.370 nan 0.000 0.456 26 L N 2.068 123.327 121.223 0.060 0.000 2.079 26 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 26 L C 2.468 179.391 176.870 0.089 0.000 1.081 26 L CA 1.267 56.186 54.840 0.132 0.000 0.752 26 L CB -0.346 41.761 42.059 0.081 0.000 0.896 26 L HN 0.455 nan 8.230 nan 0.000 0.433 27 K N -0.540 119.882 120.400 0.038 0.000 2.103 27 K HA -0.214 4.105 4.320 -0.001 0.000 0.207 27 K C 1.300 177.912 176.600 0.021 0.000 1.048 27 K CA 1.810 58.113 56.287 0.027 0.000 0.930 27 K CB -0.345 32.165 32.500 0.015 0.000 0.716 27 K HN 0.293 nan 8.250 nan 0.000 0.444 28 D N 0.319 120.709 120.400 -0.017 0.000 2.123 28 D HA -0.105 4.535 4.640 -0.001 0.000 0.200 28 D C 1.968 178.281 176.300 0.020 0.000 0.976 28 D CA 1.041 55.016 54.000 -0.042 0.000 0.831 28 D CB -0.319 40.407 40.800 -0.123 0.000 0.974 28 D HN 0.200 nan 8.370 nan 0.000 0.469 29 Y N 1.236 121.546 120.300 0.016 0.000 2.165 29 Y HA -0.086 4.463 4.550 -0.001 0.000 0.286 29 Y C 2.392 178.299 175.900 0.012 0.000 1.155 29 Y CA 0.517 58.627 58.100 0.017 0.000 1.164 29 Y CB -0.740 37.728 38.460 0.015 0.000 0.978 29 Y HN -0.049 nan 8.280 nan 0.000 0.513 30 L N 0.040 121.363 121.223 0.168 0.000 2.633 30 L HA -0.152 4.187 4.340 -0.001 0.000 0.235 30 L C 1.341 178.250 176.870 0.065 0.000 1.163 30 L CA 0.576 55.471 54.840 0.091 0.000 0.859 30 L CB -0.369 41.726 42.059 0.060 0.000 0.973 30 L HN 0.201 nan 8.230 nan 0.000 0.451 31 N N -0.992 117.749 118.700 0.067 0.000 2.353 31 N HA -0.042 4.697 4.740 -0.001 0.000 0.185 31 N C 0.296 175.837 175.510 0.052 0.000 1.098 31 N CA 0.386 53.464 53.050 0.046 0.000 0.872 31 N CB 0.107 38.613 38.487 0.032 0.000 0.970 31 N HN 0.167 nan 8.380 nan 0.000 0.467 32 D N 1.232 121.678 120.400 0.076 0.000 2.411 32 D HA 0.066 4.705 4.640 -0.001 0.000 0.225 32 D C 0.992 177.325 176.300 0.054 0.000 1.156 32 D CA -0.085 53.959 54.000 0.072 0.000 0.874 32 D CB 0.878 41.745 40.800 0.111 0.000 1.034 32 D HN -0.055 nan 8.370 nan 0.000 0.502 33 K N 3.306 123.729 120.400 0.039 0.000 2.097 33 K HA -0.153 4.166 4.320 -0.001 0.000 0.206 33 K C 1.221 177.837 176.600 0.028 0.000 1.049 33 K CA 0.771 57.076 56.287 0.031 0.000 0.933 33 K CB 0.254 32.769 32.500 0.024 0.000 0.717 33 K HN 0.297 nan 8.250 nan 0.000 0.442 34 N N 0.914 119.631 118.700 0.027 0.000 2.084 34 N HA -0.185 4.554 4.740 -0.001 0.000 0.190 34 N C 1.803 177.322 175.510 0.016 0.000 1.030 34 N CA 1.040 54.101 53.050 0.019 0.000 0.849 34 N CB -0.245 38.254 38.487 0.020 0.000 1.012 34 N HN 0.261 nan 8.380 nan 0.000 0.423 35 R N 0.708 121.222 120.500 0.023 0.000 2.081 35 R HA 0.003 4.342 4.340 -0.001 0.000 0.235 35 R C 2.070 178.373 176.300 0.005 0.000 1.131 35 R CA 1.405 57.509 56.100 0.007 0.000 0.960 35 R CB -0.070 30.236 30.300 0.010 0.000 0.856 35 R HN 0.082 nan 8.270 nan 0.000 0.436 36 S N 0.732 116.444 115.700 0.020 0.000 2.368 36 S HA -0.144 4.325 4.470 -0.001 0.000 0.225 36 S C 1.603 176.218 174.600 0.025 0.000 1.030 36 S CA 1.489 59.705 58.200 0.026 0.000 0.999 36 S CB -0.152 63.070 63.200 0.036 0.000 0.844 36 S HN 0.453 nan 8.310 nan 0.000 0.459 37 E N 0.793 121.005 120.200 0.019 0.000 2.153 37 E HA -0.061 4.288 4.350 -0.001 0.000 0.194 37 E C 2.130 178.727 176.600 -0.005 0.000 0.988 37 E CA 1.081 57.487 56.400 0.011 0.000 0.811 37 E CB -0.076 29.629 29.700 0.009 0.000 0.746 37 E HN 0.329 nan 8.360 nan 0.000 0.466 38 S N 0.557 116.253 115.700 -0.006 0.000 2.395 38 S HA 0.020 4.490 4.470 -0.001 0.000 0.225 38 S C 1.718 176.309 174.600 -0.015 0.000 1.027 38 S CA 0.587 58.777 58.200 -0.017 0.000 0.965 38 S CB 0.121 63.308 63.200 -0.023 0.000 0.812 38 S HN 0.203 nan 8.310 nan 0.000 0.482 39 L N 0.824 122.047 121.223 0.001 0.000 2.607 39 L HA 0.368 4.708 4.340 -0.001 0.000 0.228 39 L C -0.271 176.615 176.870 0.027 0.000 1.123 39 L CA 0.253 55.106 54.840 0.022 0.000 0.890 39 L CB -0.113 41.973 42.059 0.046 0.000 1.103 39 L HN 0.182 nan 8.230 nan 0.000 0.468 40 I N 1.036 121.614 120.570 0.013 0.000 2.355 40 I HA 0.239 4.408 4.170 -0.001 0.000 0.288 40 I C -0.184 175.895 176.117 -0.064 0.000 0.999 40 I CA -0.326 60.984 61.300 0.016 0.000 1.163 40 I CB 1.149 39.192 38.000 0.071 0.000 1.316 40 I HN -0.056 nan 8.210 nan 0.000 0.454 41 K N 6.887 127.231 120.400 -0.093 0.000 2.203 41 K HA 0.576 4.895 4.320 -0.001 0.000 0.251 41 K C -0.823 175.570 176.600 -0.344 0.000 0.944 41 K CA -0.921 55.264 56.287 -0.171 0.000 0.829 41 K CB 2.338 34.782 32.500 -0.094 0.000 1.125 41 K HN 0.416 nan 8.250 nan 0.000 0.430 42 K N 1.546 121.695 120.400 -0.418 0.000 2.345 42 K HA 0.504 4.824 4.320 -0.001 0.000 0.255 42 K C -1.048 175.320 176.600 -0.388 0.000 0.934 42 K CA -0.734 55.217 56.287 -0.562 0.000 0.801 42 K CB 1.610 33.672 32.500 -0.729 0.000 1.137 42 K HN 0.483 nan 8.250 nan 0.000 0.424 43 F N 3.727 123.223 119.950 -0.757 0.000 2.671 43 F HA 0.271 4.798 4.527 -0.001 0.000 0.332 43 F C 0.164 175.722 175.800 -0.404 0.000 1.189 43 F CA -0.269 57.363 58.000 -0.612 0.000 0.988 43 F CB 0.721 39.264 39.000 -0.762 0.000 1.258 43 F HN 0.672 nan 8.300 nan 0.000 0.471 44 K N 2.651 122.611 120.400 -0.735 0.000 1.795 44 K HA -0.335 3.984 4.320 -0.001 0.000 0.138 44 K C 0.077 176.620 176.600 -0.095 0.000 1.027 44 K CA 1.881 57.922 56.287 -0.411 0.000 0.303 44 K CB -1.092 31.199 32.500 -0.348 0.000 0.699 44 K HN 0.806 nan 8.250 nan 0.000 0.789 45 N N 1.991 120.766 118.700 0.125 0.000 2.455 45 N HA 0.374 5.113 4.740 -0.001 0.000 0.258 45 N C -0.117 175.606 175.510 0.355 0.000 1.158 45 N CA -0.131 53.062 53.050 0.239 0.000 0.893 45 N CB -0.277 38.382 38.487 0.285 0.000 1.173 45 N HN 0.405 nan 8.380 nan 0.000 0.503 46 F N -2.467 117.518 119.950 0.058 0.000 2.654 46 F HA 0.551 5.077 4.527 -0.001 0.000 0.308 46 F C -1.775 174.070 175.800 0.074 0.000 1.108 46 F CA -1.663 56.285 58.000 -0.087 0.000 0.957 46 F CB 1.095 39.663 39.000 -0.721 0.000 1.309 46 F HN -0.155 nan 8.300 nan 0.000 0.446 47 Y N 3.375 123.641 120.300 -0.057 0.000 2.377 47 Y HA 0.579 5.128 4.550 -0.001 0.000 0.339 47 Y C -0.215 175.722 175.900 0.062 0.000 1.011 47 Y CA -1.224 56.833 58.100 -0.072 0.000 1.093 47 Y CB 2.284 40.744 38.460 -0.001 0.000 1.201 47 Y HN 0.759 nan 8.280 nan 0.000 0.455 48 M N 4.022 123.709 119.600 0.144 0.000 2.167 48 M HA 0.286 4.765 4.480 -0.001 0.000 0.333 48 M C -1.782 174.587 176.300 0.115 0.000 1.030 48 M CA -0.559 54.843 55.300 0.169 0.000 0.963 48 M CB 0.921 33.630 32.600 0.181 0.000 1.589 48 M HN 0.579 nan 8.290 nan 0.000 0.431 49 D N 5.504 125.972 120.400 0.113 0.000 2.441 49 D HA 0.282 4.922 4.640 -0.001 0.000 0.231 49 D C -0.168 176.160 176.300 0.045 0.000 1.073 49 D CA -0.220 53.828 54.000 0.082 0.000 0.850 49 D CB 0.890 41.745 40.800 0.090 0.000 1.062 49 D HN 0.762 nan 8.370 nan 0.000 0.524 50 L N 2.715 123.969 121.223 0.051 0.000 2.653 50 L HA 0.049 4.388 4.340 -0.001 0.000 0.231 50 L C 2.062 178.930 176.870 -0.002 0.000 1.153 50 L CA -0.017 54.853 54.840 0.050 0.000 0.933 50 L CB 0.014 42.158 42.059 0.142 0.000 1.175 50 L HN 0.326 nan 8.230 nan 0.000 0.473 51 S N -0.203 115.491 115.700 -0.010 0.000 2.447 51 S HA -0.137 4.332 4.470 -0.001 0.000 0.233 51 S C 1.586 176.132 174.600 -0.090 0.000 1.006 51 S CA 0.506 58.682 58.200 -0.040 0.000 0.957 51 S CB -0.225 62.972 63.200 -0.004 0.000 0.773 51 S HN 0.448 nan 8.310 nan 0.000 0.507 52 R N 1.471 121.913 120.500 -0.098 0.000 3.081 52 R HA 0.311 4.650 4.340 -0.001 0.000 0.280 52 R C -0.311 175.878 176.300 -0.185 0.000 1.372 52 R CA -0.039 55.995 56.100 -0.110 0.000 1.242 52 R CB 0.078 30.322 30.300 -0.093 0.000 1.316 52 R HN 0.422 nan 8.270 nan 0.000 0.585 53 Q N 0.634 120.240 119.800 -0.323 0.000 2.306 53 Q HA 0.268 4.607 4.340 -0.001 0.000 0.265 53 Q C -0.021 175.615 176.000 -0.607 0.000 1.022 53 Q CA -0.648 54.821 55.803 -0.556 0.000 0.853 53 Q CB 1.894 30.084 28.738 -0.913 0.000 1.327 53 Q HN 0.183 nan 8.270 nan 0.000 0.449 54 R N 2.315 122.566 120.500 -0.415 0.000 4.860 54 R HA 0.129 4.468 4.340 -0.001 0.000 0.191 54 R C -0.598 175.770 176.300 0.113 0.000 1.936 54 R CA 0.145 56.192 56.100 -0.088 0.000 1.609 54 R CB -0.893 29.345 30.300 -0.104 0.000 1.392 54 R HN 0.454 nan 8.270 nan 0.000 0.844 55 Y N -3.179 117.103 120.300 -0.030 0.000 2.544 55 Y HA 0.428 4.978 4.550 -0.001 0.000 0.342 55 Y C -0.111 175.524 175.900 -0.441 0.000 1.062 55 Y CA -1.581 56.425 58.100 -0.155 0.000 1.023 55 Y CB 0.891 39.132 38.460 -0.365 0.000 1.308 55 Y HN 0.033 nan 8.280 nan 0.000 0.457 56 S N 0.266 115.928 115.700 -0.063 0.000 2.655 56 S HA 0.228 4.697 4.470 -0.001 0.000 0.265 56 S C 0.437 174.974 174.600 -0.105 0.000 1.240 56 S CA -0.249 57.846 58.200 -0.176 0.000 0.986 56 S CB 1.375 64.631 63.200 0.093 0.000 0.985 56 S HN 0.868 nan 8.310 nan 0.000 0.562 57 E N 0.271 120.415 120.200 -0.093 0.000 2.153 57 E HA -0.131 4.218 4.350 -0.001 0.000 0.194 57 E C 1.766 178.302 176.600 -0.107 0.000 0.988 57 E CA 0.998 57.337 56.400 -0.100 0.000 0.811 57 E CB -0.144 29.519 29.700 -0.062 0.000 0.746 57 E HN 0.596 nan 8.360 nan 0.000 0.466 58 K N 0.096 120.459 120.400 -0.062 0.000 2.057 58 K HA -0.085 4.234 4.320 -0.001 0.000 0.207 58 K C 2.064 178.612 176.600 -0.087 0.000 1.049 58 K CA 1.528 57.783 56.287 -0.053 0.000 0.931 58 K CB -0.139 32.355 32.500 -0.011 0.000 0.714 58 K HN 0.002 nan 8.250 nan 0.000 0.440 59 T N 0.944 115.440 114.554 -0.097 0.000 2.821 59 T HA -0.100 4.249 4.350 -0.001 0.000 0.267 59 T C 1.496 176.004 174.700 -0.320 0.000 1.046 59 T CA 0.994 63.006 62.100 -0.146 0.000 1.139 59 T CB -0.151 68.688 68.868 -0.049 0.000 0.871 59 T HN 0.073 nan 8.240 nan 0.000 0.454 60 L N 1.923 122.872 121.223 -0.456 0.000 2.093 60 L HA 0.043 4.382 4.340 -0.001 0.000 0.208 60 L C 1.854 178.535 176.870 -0.315 0.000 1.085 60 L CA 1.505 55.976 54.840 -0.615 0.000 0.755 60 L CB -0.756 40.853 42.059 -0.750 0.000 0.904 60 L HN 0.074 nan 8.230 nan 0.000 0.435 61 N N -0.085 118.492 118.700 -0.205 0.000 2.166 61 N HA -0.204 4.535 4.740 -0.001 0.000 0.186 61 N C 1.815 177.271 175.510 -0.091 0.000 1.019 61 N CA 1.088 54.064 53.050 -0.123 0.000 0.856 61 N CB -0.220 38.214 38.487 -0.088 0.000 0.993 61 N HN 0.241 nan 8.380 nan 0.000 0.426 62 K N 1.163 121.504 120.400 -0.097 0.000 2.097 62 K HA 0.099 4.418 4.320 -0.001 0.000 0.205 62 K C 1.906 178.498 176.600 -0.012 0.000 1.050 62 K CA 0.648 56.904 56.287 -0.052 0.000 0.938 62 K CB -0.377 32.084 32.500 -0.065 0.000 0.718 62 K HN 0.111 nan 8.250 nan 0.000 0.442 63 L N -0.262 120.921 121.223 -0.066 0.000 2.083 63 L HA -0.170 4.169 4.340 -0.001 0.000 0.209 63 L C 2.120 179.031 176.870 0.068 0.000 1.083 63 L CA 0.860 55.711 54.840 0.020 0.000 0.752 63 L CB -0.329 41.676 42.059 -0.091 0.000 0.899 63 L HN -0.010 nan 8.230 nan 0.000 0.433 64 V N -0.420 119.484 119.914 -0.016 0.000 2.427 64 V HA -0.258 3.861 4.120 -0.001 0.000 0.248 64 V C 2.295 178.389 176.094 0.000 0.000 1.051 64 V CA 1.667 63.958 62.300 -0.015 0.000 1.048 64 V CB -0.448 31.344 31.823 -0.052 0.000 0.666 64 V HN 0.460 nan 8.190 nan 0.000 0.456 65 E N -0.937 119.270 120.200 0.011 0.000 2.110 65 E HA -0.248 4.101 4.350 -0.001 0.000 0.193 65 E C 2.057 178.680 176.600 0.039 0.000 0.988 65 E CA 1.554 57.962 56.400 0.014 0.000 0.804 65 E CB -0.221 29.489 29.700 0.018 0.000 0.745 65 E HN 0.776 nan 8.360 nan 0.000 0.458 66 Y N 1.164 121.460 120.300 -0.006 0.000 2.145 66 Y HA -0.225 4.324 4.550 -0.001 0.000 0.286 66 Y C 2.258 178.140 175.900 -0.029 0.000 1.145 66 Y CA 1.499 59.609 58.100 0.016 0.000 1.148 66 Y CB -0.278 38.228 38.460 0.076 0.000 0.981 66 Y HN -0.006 nan 8.280 nan 0.000 0.507 67 A N 0.337 123.133 122.820 -0.040 0.000 1.908 67 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 67 A C 2.042 179.523 177.584 -0.171 0.000 1.181 67 A CA 2.092 54.060 52.037 -0.115 0.000 0.627 67 A CB -0.772 18.219 19.000 -0.015 0.000 0.818 67 A HN 0.665 nan 8.150 nan 0.000 0.445 68 E N -0.835 119.289 120.200 -0.126 0.000 2.051 68 E HA -0.208 4.141 4.350 -0.001 0.000 0.192 68 E C 2.081 178.591 176.600 -0.151 0.000 0.991 68 E CA 1.230 57.557 56.400 -0.121 0.000 0.799 68 E CB -0.147 29.504 29.700 -0.082 0.000 0.748 68 E HN 0.784 nan 8.360 nan 0.000 0.449 69 E N 0.443 120.536 120.200 -0.180 0.000 2.153 69 E HA -0.155 4.195 4.350 -0.001 0.000 0.194 69 E C 1.965 178.419 176.600 -0.243 0.000 0.988 69 E CA 1.350 57.639 56.400 -0.184 0.000 0.811 69 E CB 0.210 29.822 29.700 -0.147 0.000 0.746 69 E HN 0.228 nan 8.360 nan 0.000 0.466 70 V N -1.941 117.749 119.914 -0.374 0.000 3.623 70 V HA 0.073 4.193 4.120 -0.001 0.000 0.271 70 V C 0.075 176.043 176.094 -0.210 0.000 1.248 70 V CA 0.604 62.716 62.300 -0.313 0.000 1.156 70 V CB -0.539 31.039 31.823 -0.409 0.000 0.870 70 V HN 0.240 nan 8.190 nan 0.000 0.453 71 E N -0.746 119.337 120.200 -0.195 0.000 2.320 71 E HA -0.279 4.070 4.350 -0.001 0.000 0.234 71 E C 0.824 177.299 176.600 -0.209 0.000 1.183 71 E CA 0.587 56.881 56.400 -0.177 0.000 0.713 71 E CB -1.563 28.042 29.700 -0.159 0.000 1.226 71 E HN 0.589 nan 8.360 nan 0.000 0.382 72 L N 0.899 122.013 121.223 -0.182 0.000 2.012 72 L HA -0.204 4.136 4.340 -0.001 0.000 0.210 72 L C 2.206 178.958 176.870 -0.197 0.000 1.073 72 L CA 2.109 56.859 54.840 -0.150 0.000 0.748 72 L CB -0.212 41.815 42.059 -0.052 0.000 0.891 72 L HN 0.146 nan 8.230 nan 0.000 0.431 73 K N -0.340 119.947 120.400 -0.188 0.000 2.063 73 K HA -0.257 4.062 4.320 -0.001 0.000 0.208 73 K C 2.248 178.699 176.600 -0.249 0.000 1.048 73 K CA 1.834 57.985 56.287 -0.226 0.000 0.928 73 K CB -0.223 32.160 32.500 -0.195 0.000 0.713 73 K HN 0.392 nan 8.250 nan 0.000 0.442 74 K N 1.540 121.804 120.400 -0.226 0.000 2.026 74 K HA -0.186 4.133 4.320 -0.001 0.000 0.208 74 K C 1.886 178.325 176.600 -0.269 0.000 1.048 74 K CA 1.630 57.788 56.287 -0.215 0.000 0.929 74 K CB 0.065 32.456 32.500 -0.182 0.000 0.713 74 K HN 0.005 nan 8.250 nan 0.000 0.439 75 K N 0.134 120.295 120.400 -0.398 0.000 2.057 75 K HA -0.081 4.238 4.320 -0.001 0.000 0.206 75 K C 2.035 178.336 176.600 -0.498 0.000 1.050 75 K CA 1.291 57.178 56.287 -0.667 0.000 0.935 75 K CB -0.018 31.684 32.500 -1.330 0.000 0.715 75 K HN -0.029 nan 8.250 nan 0.000 0.439 76 V N 1.653 121.380 119.914 -0.311 0.000 2.343 76 V HA -0.256 3.863 4.120 -0.001 0.000 0.247 76 V C 2.306 178.364 176.094 -0.060 0.000 1.051 76 V CA 1.880 64.136 62.300 -0.074 0.000 1.036 76 V CB -0.374 31.254 31.823 -0.324 0.000 0.654 76 V HN 0.393 nan 8.190 nan 0.000 0.451 77 E N 0.196 120.270 120.200 -0.210 0.000 2.077 77 E HA -0.272 4.078 4.350 -0.001 0.000 0.193 77 E C 2.255 178.810 176.600 -0.075 0.000 0.989 77 E CA 1.464 57.751 56.400 -0.188 0.000 0.800 77 E CB -0.043 29.521 29.700 -0.227 0.000 0.746 77 E HN 0.573 nan 8.360 nan 0.000 0.452 78 K N -0.350 119.994 120.400 -0.093 0.000 2.057 78 K HA -0.105 4.214 4.320 -0.001 0.000 0.207 78 K C 2.213 178.795 176.600 -0.030 0.000 1.049 78 K CA 1.791 58.037 56.287 -0.068 0.000 0.931 78 K CB -0.111 32.335 32.500 -0.090 0.000 0.714 78 K HN 0.129 nan 8.250 nan 0.000 0.440 79 T N 0.838 115.406 114.554 0.023 0.000 2.674 79 T HA -0.130 4.219 4.350 -0.001 0.000 0.265 79 T C 1.611 176.265 174.700 -0.077 0.000 1.039 79 T CA 1.392 63.489 62.100 -0.004 0.000 1.150 79 T CB -0.422 68.525 68.868 0.132 0.000 0.864 79 T HN 0.108 nan 8.240 nan 0.000 0.427 80 F N 0.884 120.742 119.950 -0.153 0.000 2.161 80 F HA -0.064 4.463 4.527 -0.001 0.000 0.300 80 F C 2.423 178.126 175.800 -0.163 0.000 1.089 80 F CA 0.728 58.632 58.000 -0.161 0.000 1.282 80 F CB -0.368 38.538 39.000 -0.156 0.000 1.010 80 F HN 0.062 nan 8.300 nan 0.000 0.485 81 M N -0.723 118.892 119.600 0.026 0.000 2.476 81 M HA 0.122 4.601 4.480 -0.001 0.000 0.262 81 M C 1.905 178.138 176.300 -0.111 0.000 1.079 81 M CA 1.266 56.538 55.300 -0.047 0.000 1.104 81 M CB -1.548 31.021 32.600 -0.053 0.000 1.409 81 M HN 0.336 nan 8.290 nan 0.000 0.467 82 G N 0.583 109.293 108.800 -0.150 0.000 2.144 82 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.218 82 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.218 82 G C -0.068 174.749 174.900 -0.139 0.000 0.988 82 G CA -0.147 44.830 45.100 -0.205 0.000 0.659 82 G HN 0.467 nan 8.290 nan 0.000 0.522 83 E N 0.370 120.513 120.200 -0.096 0.000 2.404 83 E HA 0.229 4.578 4.350 -0.001 0.000 0.261 83 E C 0.309 176.882 176.600 -0.044 0.000 1.074 83 E CA -0.112 56.253 56.400 -0.058 0.000 0.917 83 E CB 0.530 30.204 29.700 -0.043 0.000 0.965 83 E HN 0.271 nan 8.360 nan 0.000 0.433 84 K N 1.882 122.276 120.400 -0.010 0.000 2.408 84 K HA -0.004 4.315 4.320 -0.001 0.000 0.231 84 K C 1.181 177.812 176.600 0.052 0.000 1.261 84 K CA -0.130 56.168 56.287 0.018 0.000 1.193 84 K CB -0.361 32.162 32.500 0.038 0.000 1.431 84 K HN 0.353 nan 8.250 nan 0.000 0.243 85 V N -1.756 118.183 119.914 0.043 0.000 2.809 85 V HA -0.115 4.004 4.120 -0.001 0.000 0.256 85 V C 0.845 177.080 176.094 0.235 0.000 1.080 85 V CA 0.827 63.215 62.300 0.147 0.000 1.102 85 V CB -0.458 31.495 31.823 0.217 0.000 0.705 85 V HN 0.448 nan 8.190 nan 0.000 0.475 86 N N 1.986 120.780 118.700 0.156 0.000 2.605 86 N HA 0.152 4.892 4.740 -0.001 0.000 0.258 86 N C 0.761 176.398 175.510 0.213 0.000 1.156 86 N CA -0.076 53.128 53.050 0.256 0.000 1.008 86 N CB 0.785 39.385 38.487 0.188 0.000 1.354 86 N HN 0.645 nan 8.380 nan 0.000 0.509 87 M N 0.932 120.669 119.600 0.229 0.000 2.557 87 M HA 0.049 4.529 4.480 -0.001 0.000 0.259 87 M C 1.530 177.946 176.300 0.193 0.000 1.086 87 M CA 1.215 56.626 55.300 0.185 0.000 1.096 87 M CB -1.110 31.590 32.600 0.167 0.000 1.424 87 M HN 0.299 nan 8.290 nan 0.000 0.488 88 T N -2.675 112.034 114.554 0.259 0.000 3.044 88 T HA 0.170 4.520 4.350 -0.001 0.000 0.255 88 T C 1.507 176.439 174.700 0.387 0.000 1.073 88 T CA 0.651 62.949 62.100 0.329 0.000 1.125 88 T CB -0.223 68.953 68.868 0.513 0.000 0.908 88 T HN 0.584 nan 8.240 nan 0.000 0.480 89 E N 0.807 121.198 120.200 0.318 0.000 2.498 89 E HA 0.217 4.566 4.350 -0.001 0.000 0.203 89 E C -0.108 176.599 176.600 0.178 0.000 1.013 89 E CA -0.409 56.150 56.400 0.265 0.000 0.927 89 E CB 0.158 29.958 29.700 0.166 0.000 1.012 89 E HN 0.344 nan 8.360 nan 0.000 0.482 90 N N 2.134 120.929 118.700 0.159 0.000 2.696 90 N HA -0.189 4.550 4.740 -0.001 0.000 0.256 90 N C -1.364 174.208 175.510 0.104 0.000 1.031 90 N CA 0.636 53.757 53.050 0.118 0.000 0.730 90 N CB -0.550 37.997 38.487 0.101 0.000 0.894 90 N HN 0.121 nan 8.380 nan 0.000 0.544 91 R N -0.079 120.483 120.500 0.104 0.000 2.837 91 R HA 0.504 4.843 4.340 -0.001 0.000 0.271 91 R C -0.237 176.097 176.300 0.057 0.000 0.993 91 R CA -0.801 55.357 56.100 0.096 0.000 0.931 91 R CB 1.547 31.914 30.300 0.111 0.000 1.206 91 R HN 0.142 nan 8.270 nan 0.000 0.474 92 S N 0.331 116.069 115.700 0.063 0.000 2.614 92 S HA 0.306 4.775 4.470 -0.001 0.000 0.265 92 S C -0.226 174.353 174.600 -0.036 0.000 1.303 92 S CA -0.501 57.686 58.200 -0.021 0.000 1.000 92 S CB 1.118 64.278 63.200 -0.067 0.000 0.935 92 S HN 0.280 nan 8.310 nan 0.000 0.551 93 V N 2.837 122.629 119.914 -0.203 0.000 2.380 93 V HA 0.323 4.443 4.120 -0.001 0.000 0.272 93 V C -0.496 175.387 176.094 -0.352 0.000 1.011 93 V CA -0.167 61.934 62.300 -0.331 0.000 0.826 93 V CB 0.478 31.780 31.823 -0.870 0.000 1.040 93 V HN 0.729 nan 8.190 nan 0.000 0.441 94 L N 4.511 125.655 121.223 -0.132 0.000 3.255 94 L HA 0.296 4.635 4.340 -0.001 0.000 0.293 94 L C 1.906 178.764 176.870 -0.020 0.000 1.302 94 L CA -0.245 54.417 54.840 -0.297 0.000 0.977 94 L CB 0.066 41.674 42.059 -0.752 0.000 1.390 94 L HN 0.790 nan 8.230 nan 0.000 0.588 95 H N -1.691 117.440 119.070 0.101 0.000 2.456 95 H HA -0.123 4.433 4.556 -0.001 0.000 0.296 95 H C 1.801 177.200 175.328 0.117 0.000 1.079 95 H CA 1.655 57.825 56.048 0.202 0.000 1.322 95 H CB -0.702 29.177 29.762 0.195 0.000 1.388 95 H HN 0.440 nan 8.280 nan 0.000 0.538 96 T N -0.975 113.345 114.554 -0.390 0.000 2.881 96 T HA 0.053 4.402 4.350 -0.001 0.000 0.270 96 T C 2.311 176.986 174.700 -0.042 0.000 1.068 96 T CA 1.050 63.010 62.100 -0.234 0.000 1.131 96 T CB -0.530 67.922 68.868 -0.694 0.000 0.871 96 T HN 0.484 nan 8.240 nan 0.000 0.479 97 A N 1.502 124.267 122.820 -0.092 0.000 2.015 97 A HA 0.233 4.552 4.320 -0.001 0.000 0.219 97 A C 2.345 179.978 177.584 0.083 0.000 1.163 97 A CA 0.889 52.900 52.037 -0.044 0.000 0.646 97 A CB -0.844 18.001 19.000 -0.259 0.000 0.806 97 A HN 0.567 nan 8.150 nan 0.000 0.448 98 L N -0.216 121.127 121.223 0.201 0.000 2.191 98 L HA -0.164 4.176 4.340 -0.001 0.000 0.212 98 L C 2.431 179.395 176.870 0.157 0.000 1.103 98 L CA 1.455 56.442 54.840 0.246 0.000 0.769 98 L CB -0.354 41.910 42.059 0.341 0.000 0.908 98 L HN 0.513 nan 8.230 nan 0.000 0.438 99 R N 0.020 120.615 120.500 0.159 0.000 2.432 99 R HA 0.257 4.596 4.340 -0.001 0.000 0.260 99 R C 0.360 176.685 176.300 0.042 0.000 0.935 99 R CA -0.187 55.998 56.100 0.141 0.000 1.080 99 R CB -0.411 30.003 30.300 0.189 0.000 1.155 99 R HN 0.228 nan 8.270 nan 0.000 0.531 100 I N 5.215 125.791 120.570 0.010 0.000 2.598 100 I HA 0.075 4.244 4.170 -0.001 0.000 0.284 100 I C -1.776 174.316 176.117 -0.042 0.000 1.140 100 I CA -1.757 59.429 61.300 -0.190 0.000 1.420 100 I CB 0.723 38.722 38.000 -0.001 0.000 1.387 100 I HN -0.088 nan 8.210 nan 0.000 0.553 101 P HA 0.063 nan 4.420 nan 0.000 0.274 101 P C 0.844 178.111 177.300 -0.055 0.000 1.237 101 P CA -0.306 62.794 63.100 -0.001 0.000 0.793 101 P CB 1.220 32.881 31.700 -0.064 0.000 0.977 102 I N 1.410 121.856 120.570 -0.207 0.000 2.248 102 I HA -0.286 3.883 4.170 -0.001 0.000 0.248 102 I C 2.100 178.091 176.117 -0.211 0.000 1.107 102 I CA 1.726 62.737 61.300 -0.481 0.000 1.373 102 I CB -0.562 37.190 38.000 -0.413 0.000 1.055 102 I HN 0.438 nan 8.210 nan 0.000 0.418 103 E N 0.711 120.848 120.200 -0.105 0.000 2.333 103 E HA -0.248 4.101 4.350 -0.001 0.000 0.198 103 E C 1.337 177.918 176.600 -0.031 0.000 1.007 103 E CA 1.192 57.561 56.400 -0.051 0.000 0.845 103 E CB -0.442 29.247 29.700 -0.018 0.000 0.766 103 E HN 0.564 nan 8.360 nan 0.000 0.507 104 K N 0.289 120.655 120.400 -0.057 0.000 2.399 104 K HA 0.273 4.593 4.320 -0.001 0.000 0.204 104 K C 1.740 178.372 176.600 0.053 0.000 1.023 104 K CA -0.221 56.062 56.287 -0.008 0.000 1.127 104 K CB 0.232 32.593 32.500 -0.232 0.000 0.856 104 K HN 0.035 nan 8.250 nan 0.000 0.514 105 I N 1.595 122.161 120.570 -0.006 0.000 2.315 105 I HA -0.368 3.801 4.170 -0.001 0.000 0.251 105 I C 1.233 177.375 176.117 0.042 0.000 1.125 105 I CA 1.512 62.819 61.300 0.011 0.000 1.392 105 I CB 0.201 38.168 38.000 -0.055 0.000 1.065 105 I HN 0.279 nan 8.210 nan 0.000 0.424 106 N N -0.586 118.141 118.700 0.045 0.000 2.508 106 N HA -0.054 4.685 4.740 -0.001 0.000 0.186 106 N C 1.838 177.384 175.510 0.060 0.000 1.034 106 N CA 1.698 54.772 53.050 0.041 0.000 0.885 106 N CB -0.524 37.977 38.487 0.024 0.000 1.135 106 N HN 0.422 nan 8.380 nan 0.000 0.435 107 T N -1.329 113.289 114.554 0.107 0.000 2.833 107 T HA -0.102 4.248 4.350 -0.001 0.000 0.269 107 T C 0.965 175.711 174.700 0.076 0.000 1.054 107 T CA 1.294 63.467 62.100 0.121 0.000 1.135 107 T CB -0.331 68.666 68.868 0.215 0.000 0.869 107 T HN 0.197 nan 8.240 nan 0.000 0.466 108 H N 1.538 120.630 119.070 0.036 0.000 2.486 108 H HA 0.360 4.916 4.556 -0.001 0.000 0.284 108 H C 0.330 175.670 175.328 0.020 0.000 1.103 108 H CA -0.828 55.250 56.048 0.050 0.000 1.089 108 H CB 0.016 29.835 29.762 0.096 0.000 1.603 108 H HN 0.612 nan 8.280 nan 0.000 0.557 109 K N 1.032 121.474 120.400 0.070 0.000 2.518 109 K HA 0.102 4.421 4.320 -0.001 0.000 0.276 109 K C -0.602 175.982 176.600 -0.027 0.000 0.974 109 K CA 0.389 56.685 56.287 0.016 0.000 0.986 109 K CB 0.800 33.300 32.500 0.000 0.000 0.901 109 K HN 0.127 nan 8.250 nan 0.000 0.497 110 I N 3.232 123.760 120.570 -0.071 0.000 2.497 110 I HA 0.196 4.365 4.170 -0.001 0.000 0.284 110 I C -0.786 175.250 176.117 -0.136 0.000 1.060 110 I CA -0.967 60.257 61.300 -0.126 0.000 1.071 110 I CB 1.596 39.471 38.000 -0.208 0.000 1.216 110 I HN 0.525 nan 8.210 nan 0.000 0.442 111 I N 6.934 127.441 120.570 -0.105 0.000 2.301 111 I HA 0.369 4.539 4.170 -0.001 0.000 0.292 111 I C -0.142 175.921 176.117 -0.091 0.000 1.046 111 I CA -0.275 60.975 61.300 -0.083 0.000 1.282 111 I CB 0.574 38.542 38.000 -0.053 0.000 1.409 111 I HN 0.341 nan 8.210 nan 0.000 0.484 112 I N 5.575 126.093 120.570 -0.087 0.000 2.418 112 I HA 0.240 4.409 4.170 -0.001 0.000 0.287 112 I C 0.001 176.111 176.117 -0.011 0.000 1.008 112 I CA -0.389 60.875 61.300 -0.060 0.000 1.104 112 I CB 1.589 39.536 38.000 -0.087 0.000 1.264 112 I HN 0.520 nan 8.210 nan 0.000 0.438 113 D N 4.592 124.994 120.400 0.004 0.000 2.697 113 D HA -0.257 4.382 4.640 -0.001 0.000 0.235 113 D C 0.881 177.187 176.300 0.009 0.000 1.167 113 D CA 1.442 55.452 54.000 0.016 0.000 0.656 113 D CB -1.353 39.470 40.800 0.039 0.000 1.025 113 D HN 1.010 nan 8.370 nan 0.000 0.419 114 N N -2.951 115.747 118.700 -0.003 0.000 2.708 114 N HA -0.108 4.631 4.740 -0.001 0.000 0.249 114 N C 0.294 175.801 175.510 -0.004 0.000 1.097 114 N CA 2.463 55.510 53.050 -0.005 0.000 0.710 114 N CB -2.154 36.334 38.487 0.001 0.000 1.032 114 N HN 1.263 nan 8.380 nan 0.000 0.551 115 K N -0.223 120.170 120.400 -0.011 0.000 2.535 115 K HA 0.728 5.047 4.320 -0.001 0.000 0.251 115 K C -0.385 176.194 176.600 -0.035 0.000 0.942 115 K CA -0.168 56.112 56.287 -0.012 0.000 0.798 115 K CB 1.172 33.673 32.500 0.002 0.000 1.267 115 K HN 0.918 nan 8.250 nan 0.000 0.434 116 N N 2.108 120.789 118.700 -0.033 0.000 2.406 116 N HA 0.006 4.746 4.740 -0.001 0.000 0.265 116 N C 1.282 176.750 175.510 -0.070 0.000 1.203 116 N CA 0.178 53.199 53.050 -0.048 0.000 0.945 116 N CB 0.972 39.446 38.487 -0.023 0.000 1.165 116 N HN 0.793 nan 8.380 nan 0.000 0.485 117 V N 3.069 122.905 119.914 -0.130 0.000 2.568 117 V HA -0.218 3.902 4.120 -0.001 0.000 0.253 117 V C 1.882 177.874 176.094 -0.171 0.000 1.072 117 V CA 1.436 63.622 62.300 -0.191 0.000 1.084 117 V CB -0.835 30.794 31.823 -0.324 0.000 0.676 117 V HN 0.606 nan 8.190 nan 0.000 0.469 118 L N -0.271 120.903 121.223 -0.083 0.000 2.265 118 L HA -0.069 4.270 4.340 -0.001 0.000 0.215 118 L C 2.958 179.896 176.870 0.113 0.000 1.117 118 L CA 1.475 56.336 54.840 0.035 0.000 0.782 118 L CB -0.705 41.411 42.059 0.095 0.000 0.914 118 L HN 0.378 nan 8.230 nan 0.000 0.441 119 E N 0.160 120.389 120.200 0.049 0.000 2.106 119 E HA -0.176 4.174 4.350 -0.001 0.000 0.192 119 E C 1.613 178.259 176.600 0.076 0.000 0.984 119 E CA 0.997 57.441 56.400 0.074 0.000 0.806 119 E CB -0.056 29.668 29.700 0.040 0.000 0.750 119 E HN 0.526 nan 8.360 nan 0.000 0.458 120 D N 0.547 120.940 120.400 -0.011 0.000 2.117 120 D HA -0.091 4.548 4.640 -0.001 0.000 0.198 120 D C 2.191 178.538 176.300 0.077 0.000 0.982 120 D CA 0.601 54.606 54.000 0.010 0.000 0.828 120 D CB -0.031 40.612 40.800 -0.263 0.000 0.967 120 D HN -0.011 nan 8.370 nan 0.000 0.464 121 V N 1.545 121.391 119.914 -0.112 0.000 2.255 121 V HA -0.237 3.883 4.120 -0.001 0.000 0.247 121 V C 2.280 178.387 176.094 0.022 0.000 1.051 121 V CA 1.612 63.922 62.300 0.017 0.000 1.018 121 V CB -0.583 31.195 31.823 -0.075 0.000 0.641 121 V HN 0.326 nan 8.190 nan 0.000 0.445 122 H N -0.066 119.087 119.070 0.139 0.000 2.462 122 H HA -0.023 4.532 4.556 -0.001 0.000 0.292 122 H C 2.344 177.748 175.328 0.126 0.000 1.049 122 H CA 1.311 57.437 56.048 0.130 0.000 1.334 122 H CB -0.388 29.427 29.762 0.088 0.000 1.404 122 H HN 0.507 nan 8.280 nan 0.000 0.544 123 G N 0.534 109.463 108.800 0.216 0.000 2.418 123 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.217 123 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.217 123 G C 1.908 176.912 174.900 0.173 0.000 1.158 123 G CA 0.958 46.160 45.100 0.170 0.000 0.771 123 G HN 0.244 nan 8.290 nan 0.000 0.545 124 V N 0.969 121.029 119.914 0.243 0.000 2.307 124 V HA -0.090 4.029 4.120 -0.001 0.000 0.245 124 V C 2.911 179.131 176.094 0.211 0.000 1.045 124 V CA 1.336 63.785 62.300 0.249 0.000 1.024 124 V CB -0.491 31.531 31.823 0.332 0.000 0.651 124 V HN 0.324 nan 8.190 nan 0.000 0.449 125 L N -0.452 120.880 121.223 0.182 0.000 2.079 125 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 125 L C 2.587 179.447 176.870 -0.017 0.000 1.081 125 L CA 1.776 56.703 54.840 0.144 0.000 0.752 125 L CB -0.600 41.579 42.059 0.200 0.000 0.896 125 L HN 0.301 nan 8.230 nan 0.000 0.433 126 K N -0.052 120.370 120.400 0.036 0.000 2.097 126 K HA -0.206 4.113 4.320 -0.001 0.000 0.205 126 K C 2.177 178.771 176.600 -0.010 0.000 1.050 126 K CA 1.164 57.434 56.287 -0.028 0.000 0.938 126 K CB -0.061 32.464 32.500 0.041 0.000 0.718 126 K HN 0.154 nan 8.250 nan 0.000 0.442 127 K N 1.150 121.596 120.400 0.076 0.000 2.057 127 K HA -0.109 4.211 4.320 -0.001 0.000 0.206 127 K C 1.956 178.720 176.600 0.272 0.000 1.050 127 K CA 1.169 57.542 56.287 0.143 0.000 0.935 127 K CB -0.001 32.563 32.500 0.107 0.000 0.715 127 K HN 0.049 nan 8.250 nan 0.000 0.439 128 I N 0.937 121.639 120.570 0.219 0.000 2.202 128 I HA -0.249 3.920 4.170 -0.001 0.000 0.242 128 I C 2.566 178.682 176.117 -0.002 0.000 1.091 128 I CA 1.343 62.709 61.300 0.111 0.000 1.368 128 I CB -0.328 37.693 38.000 0.036 0.000 1.058 128 I HN 0.357 nan 8.210 nan 0.000 0.410 129 E N 1.709 121.742 120.200 -0.278 0.000 2.070 129 E HA -0.323 4.026 4.350 -0.001 0.000 0.197 129 E C 2.452 178.985 176.600 -0.112 0.000 1.004 129 E CA 2.365 58.503 56.400 -0.437 0.000 0.805 129 E CB -0.029 29.146 29.700 -0.875 0.000 0.744 129 E HN 0.416 nan 8.360 nan 0.000 0.451 130 K N 0.437 120.814 120.400 -0.038 0.000 2.002 130 K HA -0.207 4.113 4.320 -0.001 0.000 0.209 130 K C 1.885 178.532 176.600 0.078 0.000 1.048 130 K CA 1.641 57.946 56.287 0.030 0.000 0.930 130 K CB -1.479 31.053 32.500 0.052 0.000 0.714 130 K HN 0.423 nan 8.250 nan 0.000 0.438 131 Y N 2.223 122.548 120.300 0.043 0.000 2.145 131 Y HA -0.250 4.299 4.550 -0.001 0.000 0.286 131 Y C 2.913 178.806 175.900 -0.012 0.000 1.145 131 Y CA 2.754 60.889 58.100 0.060 0.000 1.148 131 Y CB -0.219 38.358 38.460 0.196 0.000 0.981 131 Y HN 0.404 nan 8.280 nan 0.000 0.507 132 S N -0.727 114.973 115.700 0.001 0.000 2.383 132 S HA -0.178 4.292 4.470 -0.001 0.000 0.227 132 S C 1.730 176.281 174.600 -0.082 0.000 1.026 132 S CA 1.363 59.505 58.200 -0.096 0.000 0.981 132 S CB -0.577 62.602 63.200 -0.036 0.000 0.818 132 S HN 0.466 nan 8.310 nan 0.000 0.472 133 D N 2.097 122.481 120.400 -0.026 0.000 2.117 133 D HA -0.067 4.572 4.640 -0.001 0.000 0.197 133 D C 1.565 177.853 176.300 -0.020 0.000 0.987 133 D CA 1.381 55.384 54.000 0.004 0.000 0.829 133 D CB -0.581 40.230 40.800 0.018 0.000 0.961 133 D HN 0.378 nan 8.370 nan 0.000 0.460 134 D N 0.102 120.461 120.400 -0.068 0.000 2.144 134 D HA -0.089 4.550 4.640 -0.001 0.000 0.199 134 D C 2.177 178.418 176.300 -0.099 0.000 0.984 134 D CA 0.265 54.217 54.000 -0.081 0.000 0.834 134 D CB -0.077 40.665 40.800 -0.097 0.000 0.955 134 D HN 0.191 nan 8.370 nan 0.000 0.465 135 I N 0.652 121.101 120.570 -0.203 0.000 2.202 135 I HA -0.179 3.990 4.170 -0.001 0.000 0.242 135 I C 2.191 178.367 176.117 0.097 0.000 1.091 135 I CA 1.077 62.313 61.300 -0.107 0.000 1.368 135 I CB -0.535 37.286 38.000 -0.298 0.000 1.058 135 I HN 0.016 nan 8.210 nan 0.000 0.410 136 R N 1.306 121.861 120.500 0.092 0.000 2.148 136 R HA -0.118 4.222 4.340 -0.001 0.000 0.223 136 R C 1.348 177.731 176.300 0.138 0.000 1.088 136 R CA 1.364 57.587 56.100 0.204 0.000 0.985 136 R CB -0.257 30.152 30.300 0.182 0.000 0.880 136 R HN 0.534 nan 8.270 nan 0.000 0.451 137 N N -0.807 117.940 118.700 0.078 0.000 2.230 137 N HA 0.072 4.811 4.740 -0.001 0.000 0.202 137 N C 0.735 176.272 175.510 0.044 0.000 1.119 137 N CA 0.553 53.638 53.050 0.058 0.000 0.851 137 N CB 0.882 39.396 38.487 0.045 0.000 0.990 137 N HN 0.156 nan 8.380 nan 0.000 0.497 138 G N -0.397 108.435 108.800 0.054 0.000 2.153 138 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.252 138 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.252 138 G C 0.697 175.611 174.900 0.023 0.000 0.994 138 G CA 0.460 45.585 45.100 0.041 0.000 0.698 138 G HN 0.253 nan 8.290 nan 0.000 0.521 139 V N -0.001 119.923 119.914 0.016 0.000 2.379 139 V HA 0.113 4.232 4.120 -0.001 0.000 0.245 139 V C 1.758 177.861 176.094 0.014 0.000 1.044 139 V CA 1.766 64.072 62.300 0.010 0.000 1.036 139 V CB -0.104 31.722 31.823 0.006 0.000 0.664 139 V HN 0.503 nan 8.190 nan 0.000 0.453 140 I N 0.869 121.443 120.570 0.007 0.000 2.315 140 I HA 0.263 4.433 4.170 -0.001 0.000 0.291 140 I C 0.087 176.271 176.117 0.111 0.000 1.006 140 I CA 0.151 61.474 61.300 0.038 0.000 1.265 140 I CB 0.781 38.751 38.000 -0.050 0.000 1.387 140 I HN 0.165 nan 8.210 nan 0.000 0.475 141 K N 3.512 123.963 120.400 0.085 0.000 2.313 141 K HA 0.530 4.849 4.320 -0.001 0.000 0.235 141 K C 0.068 176.552 176.600 -0.193 0.000 1.035 141 K CA -0.825 55.435 56.287 -0.044 0.000 0.868 141 K CB 1.738 34.196 32.500 -0.070 0.000 1.232 141 K HN 0.632 nan 8.250 nan 0.000 0.459 142 T N -2.677 111.513 114.554 -0.607 0.000 2.698 142 T HA -0.008 4.341 4.350 -0.001 0.000 0.295 142 T C 1.639 176.277 174.700 -0.104 0.000 1.007 142 T CA -0.301 61.382 62.100 -0.696 0.000 0.980 142 T CB 0.279 68.759 68.868 -0.646 0.000 1.036 142 T HN 0.886 nan 8.240 nan 0.000 0.526 143 C N -0.533 118.917 119.300 0.250 0.000 2.432 143 C HA 0.203 4.662 4.460 -0.001 0.000 0.282 143 C C 1.918 176.877 174.990 -0.052 0.000 1.388 143 C CA -0.062 59.033 59.018 0.129 0.000 1.777 143 C CB -1.283 26.551 27.740 0.157 0.000 1.882 143 C HN 0.702 nan 8.230 nan 0.000 0.520 144 K N 1.105 121.426 120.400 -0.131 0.000 2.417 144 K HA 0.097 4.416 4.320 -0.001 0.000 0.196 144 K C 0.570 177.081 176.600 -0.148 0.000 1.023 144 K CA 0.364 56.520 56.287 -0.218 0.000 1.122 144 K CB -0.929 31.374 32.500 -0.328 0.000 0.850 144 K HN 0.655 nan 8.250 nan 0.000 0.521 145 N N 0.995 119.624 118.700 -0.118 0.000 2.754 145 N HA -0.163 4.576 4.740 -0.001 0.000 0.248 145 N C -0.814 174.632 175.510 -0.107 0.000 1.093 145 N CA 1.121 54.114 53.050 -0.096 0.000 0.699 145 N CB -0.993 37.453 38.487 -0.069 0.000 1.016 145 N HN 0.406 nan 8.380 nan 0.000 0.552 146 T N -3.415 111.048 114.554 -0.150 0.000 2.910 146 T HA 0.500 4.849 4.350 -0.001 0.000 0.287 146 T C -0.016 174.576 174.700 -0.180 0.000 1.050 146 T CA -1.026 60.993 62.100 -0.136 0.000 1.011 146 T CB 1.704 70.500 68.868 -0.121 0.000 1.195 146 T HN 0.170 nan 8.240 nan 0.000 0.540 147 K N 0.323 120.656 120.400 -0.113 0.000 2.270 147 K HA 0.375 4.694 4.320 -0.001 0.000 0.276 147 K C -0.581 175.971 176.600 -0.080 0.000 1.023 147 K CA -0.424 55.827 56.287 -0.060 0.000 0.955 147 K CB 0.327 32.822 32.500 -0.008 0.000 0.975 147 K HN 0.445 nan 8.250 nan 0.000 0.471 148 F N 2.083 122.073 119.950 0.067 0.000 2.506 148 F HA -0.003 4.523 4.527 -0.001 0.000 0.351 148 F C 1.558 177.423 175.800 0.109 0.000 1.136 148 F CA 0.673 58.746 58.000 0.123 0.000 1.298 148 F CB 0.669 39.772 39.000 0.172 0.000 1.145 148 F HN 0.492 nan 8.300 nan 0.000 0.593 149 K N 0.644 121.206 120.400 0.270 0.000 2.424 149 K HA 0.176 4.496 4.320 -0.001 0.000 0.198 149 K C -0.334 176.399 176.600 0.223 0.000 1.190 149 K CA 0.042 56.376 56.287 0.078 0.000 0.935 149 K CB 0.401 32.926 32.500 0.043 0.000 1.087 149 K HN 0.454 nan 8.250 nan 0.000 0.524 150 N N 0.762 119.652 118.700 0.317 0.000 2.292 150 N HA 0.345 5.084 4.740 -0.001 0.000 0.303 150 N C -1.227 174.403 175.510 0.200 0.000 1.140 150 N CA -0.518 52.678 53.050 0.242 0.000 0.788 150 N CB 2.726 41.331 38.487 0.197 0.000 1.361 150 N HN -0.278 nan 8.380 nan 0.000 0.489 151 V N 1.733 121.665 119.914 0.031 0.000 2.482 151 V HA 0.451 4.570 4.120 -0.001 0.000 0.295 151 V C -0.230 175.735 176.094 -0.214 0.000 1.026 151 V CA -0.647 61.582 62.300 -0.118 0.000 0.856 151 V CB 1.545 33.212 31.823 -0.260 0.000 1.001 151 V HN 0.530 nan 8.190 nan 0.000 0.424 152 I N 3.905 124.381 120.570 -0.156 0.000 2.307 152 I HA 0.354 4.524 4.170 -0.001 0.000 0.289 152 I C -0.224 175.759 176.117 -0.224 0.000 1.021 152 I CA -0.152 61.025 61.300 -0.207 0.000 1.224 152 I CB 1.146 39.068 38.000 -0.131 0.000 1.376 152 I HN 0.511 nan 8.210 nan 0.000 0.470 153 C N 7.562 126.662 119.300 -0.333 0.000 2.303 153 C HA 0.489 4.948 4.460 -0.001 0.000 0.341 153 C C 0.472 175.388 174.990 -0.124 0.000 1.244 153 C CA -0.587 58.298 59.018 -0.222 0.000 1.765 153 C CB -0.738 26.862 27.740 -0.233 0.000 2.379 153 C HN 0.534 nan 8.230 nan 0.000 0.530 154 I N 3.842 124.357 120.570 -0.091 0.000 2.330 154 I HA 0.700 4.869 4.170 -0.001 0.000 0.289 154 I C 0.621 176.699 176.117 -0.064 0.000 1.001 154 I CA 0.396 61.641 61.300 -0.093 0.000 1.193 154 I CB 1.052 38.990 38.000 -0.104 0.000 1.345 154 I HN 0.856 nan 8.210 nan 0.000 0.461 155 G N 6.401 115.167 108.800 -0.057 0.000 2.519 155 G HA2 0.548 4.507 3.960 -0.001 0.000 0.292 155 G HA3 0.548 4.507 3.960 -0.001 0.000 0.292 155 G C -1.355 173.559 174.900 0.025 0.000 1.507 155 G CA -0.728 44.374 45.100 0.003 0.000 0.806 155 G HN 0.672 nan 8.290 nan 0.000 0.523 156 I N -0.726 119.899 120.570 0.091 0.000 2.863 156 I HA 0.884 5.053 4.170 -0.001 0.000 0.311 156 I C 1.197 177.467 176.117 0.254 0.000 1.026 156 I CA -0.099 61.295 61.300 0.156 0.000 1.077 156 I CB 1.810 39.847 38.000 0.061 0.000 1.262 156 I HN 1.716 nan 8.210 nan 0.000 0.461 157 G N 2.954 111.925 108.800 0.285 0.000 2.690 157 G HA2 -0.384 3.575 3.960 -0.001 0.000 0.334 157 G HA3 -0.384 3.575 3.960 -0.001 0.000 0.334 157 G C 0.959 175.835 174.900 -0.040 0.000 1.250 157 G CA 0.932 46.086 45.100 0.090 0.000 0.994 157 G HN 1.449 nan 8.290 nan 0.000 0.549 158 G N -0.661 108.121 108.800 -0.031 0.000 2.470 158 G HA2 0.082 4.041 3.960 -0.001 0.000 0.220 158 G HA3 0.082 4.041 3.960 -0.001 0.000 0.220 158 G C 1.955 176.825 174.900 -0.049 0.000 1.121 158 G CA 1.829 46.897 45.100 -0.053 0.000 0.766 158 G HN 1.009 nan 8.290 nan 0.000 0.553 159 S N -0.789 114.925 115.700 0.023 0.000 2.555 159 S HA 0.027 4.496 4.470 -0.001 0.000 0.230 159 S C 1.390 176.051 174.600 0.101 0.000 0.978 159 S CA 1.165 59.384 58.200 0.031 0.000 0.934 159 S CB -0.219 63.018 63.200 0.062 0.000 0.766 159 S HN 0.889 nan 8.310 nan 0.000 0.533 160 Y N -2.582 117.677 120.300 -0.067 0.000 2.450 160 Y HA 0.427 4.977 4.550 -0.001 0.000 0.279 160 Y C 1.237 176.997 175.900 -0.232 0.000 1.106 160 Y CA -0.420 57.614 58.100 -0.110 0.000 1.143 160 Y CB -0.308 38.134 38.460 -0.031 0.000 1.328 160 Y HN -0.033 nan 8.280 nan 0.000 0.553 161 L N 1.668 122.242 121.223 -1.083 0.000 2.013 161 L HA -0.132 4.208 4.340 -0.001 0.000 0.212 161 L C 2.684 179.283 176.870 -0.452 0.000 1.073 161 L CA 2.082 56.435 54.840 -0.811 0.000 0.753 161 L CB -0.885 40.867 42.059 -0.511 0.000 0.890 161 L HN 0.592 nan 8.230 nan 0.000 0.432 162 G N -1.116 107.387 108.800 -0.494 0.000 2.421 162 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.216 162 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.216 162 G C 1.548 176.249 174.900 -0.333 0.000 1.171 162 G CA 1.238 45.937 45.100 -0.668 0.000 0.775 162 G HN 0.325 nan 8.290 nan 0.000 0.543 163 T N 0.470 114.855 114.554 -0.281 0.000 2.652 163 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 163 T C 2.113 176.681 174.700 -0.220 0.000 1.039 163 T CA 1.615 63.600 62.100 -0.192 0.000 1.153 163 T CB -0.230 68.615 68.868 -0.038 0.000 0.863 163 T HN 0.536 nan 8.240 nan 0.000 0.428 164 E N 0.195 120.085 120.200 -0.516 0.000 2.110 164 E HA -0.142 4.208 4.350 -0.001 0.000 0.193 164 E C 1.947 178.500 176.600 -0.079 0.000 0.988 164 E CA 0.850 56.921 56.400 -0.548 0.000 0.804 164 E CB -0.228 28.967 29.700 -0.841 0.000 0.745 164 E HN 0.512 nan 8.360 nan 0.000 0.458 165 F N 1.042 120.889 119.950 -0.172 0.000 2.046 165 F HA -0.211 4.315 4.527 -0.001 0.000 0.297 165 F C 1.861 177.661 175.800 0.000 0.000 1.123 165 F CA 1.594 59.572 58.000 -0.037 0.000 1.199 165 F CB -0.959 38.035 39.000 -0.011 0.000 0.972 165 F HN -0.097 nan 8.300 nan 0.000 0.474 166 V N 0.104 119.552 119.914 -0.777 0.000 2.407 166 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 166 V C 2.231 178.178 176.094 -0.245 0.000 1.055 166 V CA 2.070 63.892 62.300 -0.796 0.000 1.049 166 V CB -1.429 29.911 31.823 -0.805 0.000 0.662 166 V HN 0.593 nan 8.190 nan 0.000 0.455 167 Y N 1.457 121.701 120.300 -0.092 0.000 2.070 167 Y HA -0.215 4.334 4.550 -0.001 0.000 0.280 167 Y C 2.657 178.652 175.900 0.159 0.000 1.148 167 Y CA 2.031 60.229 58.100 0.164 0.000 1.125 167 Y CB -0.241 38.351 38.460 0.220 0.000 0.975 167 Y HN 0.202 nan 8.280 nan 0.000 0.492 168 E N 0.272 120.459 120.200 -0.022 0.000 2.110 168 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 168 E C 2.378 178.957 176.600 -0.034 0.000 0.988 168 E CA 1.071 57.445 56.400 -0.043 0.000 0.804 168 E CB -0.639 29.142 29.700 0.136 0.000 0.745 168 E HN 0.586 nan 8.360 nan 0.000 0.458 169 A N 0.782 123.576 122.820 -0.044 0.000 1.902 169 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 169 A C 2.069 179.579 177.584 -0.124 0.000 1.181 169 A CA 1.476 53.495 52.037 -0.030 0.000 0.623 169 A CB -0.158 18.772 19.000 -0.117 0.000 0.818 169 A HN 0.110 nan 8.150 nan 0.000 0.443 170 M N 0.007 119.375 119.600 -0.386 0.000 2.501 170 M HA 0.033 4.512 4.480 -0.001 0.000 0.261 170 M C 1.923 177.739 176.300 -0.806 0.000 1.129 170 M CA 1.263 56.112 55.300 -0.752 0.000 1.126 170 M CB -0.842 31.036 32.600 -1.204 0.000 1.359 170 M HN 0.695 nan 8.290 nan 0.000 0.471 171 K N -0.039 119.975 120.400 -0.643 0.000 2.074 171 K HA -0.208 4.112 4.320 -0.001 0.000 0.209 171 K C 1.657 177.663 176.600 -0.990 0.000 1.048 171 K CA 1.839 57.663 56.287 -0.771 0.000 0.926 171 K CB -0.826 31.175 32.500 -0.832 0.000 0.713 171 K HN 0.190 nan 8.250 nan 0.000 0.444 172 Y N -0.142 119.902 120.300 -0.427 0.000 2.314 172 Y HA -0.124 4.425 4.550 -0.001 0.000 0.293 172 Y C 2.393 178.123 175.900 -0.283 0.000 1.129 172 Y CA 1.003 58.987 58.100 -0.192 0.000 1.201 172 Y CB -0.504 37.964 38.460 0.013 0.000 0.999 172 Y HN 0.171 nan 8.280 nan 0.000 0.541 173 Y N -0.772 119.155 120.300 -0.623 0.000 2.145 173 Y HA -0.355 4.194 4.550 -0.001 0.000 0.286 173 Y C 2.540 178.281 175.900 -0.265 0.000 1.145 173 Y CA 1.766 59.452 58.100 -0.690 0.000 1.148 173 Y CB -0.771 37.119 38.460 -0.948 0.000 0.981 173 Y HN 0.200 nan 8.280 nan 0.000 0.507 174 Y N -0.233 119.870 120.300 -0.329 0.000 2.114 174 Y HA -0.327 4.223 4.550 -0.001 0.000 0.284 174 Y C 1.923 177.797 175.900 -0.043 0.000 1.143 174 Y CA 2.010 60.017 58.100 -0.155 0.000 1.135 174 Y CB -1.118 37.229 38.460 -0.187 0.000 0.980 174 Y HN 0.184 nan 8.280 nan 0.000 0.499 175 Y N 0.545 120.757 120.300 -0.147 0.000 2.145 175 Y HA -0.213 4.336 4.550 -0.001 0.000 0.286 175 Y C 2.346 178.143 175.900 -0.172 0.000 1.145 175 Y CA 1.436 59.433 58.100 -0.172 0.000 1.148 175 Y CB -1.202 37.367 38.460 0.181 0.000 0.981 175 Y HN 0.235 nan 8.280 nan 0.000 0.507 176 N N -0.818 117.936 118.700 0.090 0.000 2.148 176 N HA -0.080 4.659 4.740 -0.001 0.000 0.186 176 N C 1.670 177.097 175.510 -0.138 0.000 1.031 176 N CA 1.258 54.327 53.050 0.032 0.000 0.848 176 N CB -0.442 38.147 38.487 0.171 0.000 1.005 176 N HN 0.220 nan 8.380 nan 0.000 0.427 177 M N 0.707 120.118 119.600 -0.314 0.000 2.287 177 M HA 0.071 4.550 4.480 -0.001 0.000 0.266 177 M C 1.938 178.057 176.300 -0.302 0.000 1.079 177 M CA 1.089 56.148 55.300 -0.403 0.000 1.146 177 M CB -0.202 31.894 32.600 -0.840 0.000 1.374 177 M HN 0.217 nan 8.290 nan 0.000 0.435 178 E N -0.152 119.871 120.200 -0.295 0.000 2.052 178 E HA -0.005 4.344 4.350 -0.001 0.000 0.192 178 E C 1.862 178.343 176.600 -0.198 0.000 0.958 178 E CA 0.411 56.695 56.400 -0.193 0.000 0.835 178 E CB -0.056 29.579 29.700 -0.108 0.000 0.811 178 E HN 0.324 nan 8.360 nan 0.000 0.462 179 L N 1.066 122.114 121.223 -0.292 0.000 2.046 179 L HA -0.111 4.229 4.340 -0.001 0.000 0.208 179 L C 1.987 178.753 176.870 -0.174 0.000 1.077 179 L CA 0.921 55.620 54.840 -0.234 0.000 0.747 179 L CB -0.408 41.483 42.059 -0.281 0.000 0.896 179 L HN 0.219 nan 8.230 nan 0.000 0.432 180 N N 0.197 118.793 118.700 -0.174 0.000 2.280 180 N HA 0.007 4.746 4.740 -0.001 0.000 0.192 180 N C -0.071 175.371 175.510 -0.114 0.000 1.109 180 N CA 0.056 53.018 53.050 -0.148 0.000 0.855 180 N CB 0.457 38.844 38.487 -0.166 0.000 0.974 180 N HN 0.225 nan 8.380 nan 0.000 0.482 181 K N 0.923 121.251 120.400 -0.120 0.000 3.035 181 K HA -0.179 4.140 4.320 -0.001 0.000 0.262 181 K C -0.817 175.726 176.600 -0.095 0.000 1.024 181 K CA 0.350 56.575 56.287 -0.102 0.000 0.748 181 K CB -2.035 30.419 32.500 -0.076 0.000 1.247 181 K HN 0.455 nan 8.250 nan 0.000 0.482 182 N N 1.349 119.986 118.700 -0.106 0.000 2.454 182 N HA 0.028 4.768 4.740 -0.001 0.000 0.254 182 N C -0.333 175.120 175.510 -0.096 0.000 1.228 182 N CA 0.177 53.169 53.050 -0.096 0.000 0.900 182 N CB 0.545 38.977 38.487 -0.091 0.000 1.089 182 N HN 0.169 nan 8.380 nan 0.000 0.449 183 E N 1.244 121.394 120.200 -0.084 0.000 2.191 183 E HA 0.125 4.474 4.350 -0.001 0.000 0.274 183 E C 0.133 176.688 176.600 -0.074 0.000 0.948 183 E CA -0.647 55.710 56.400 -0.072 0.000 0.802 183 E CB 1.786 31.451 29.700 -0.058 0.000 1.137 183 E HN 0.389 nan 8.360 nan 0.000 0.397 184 K N 1.316 121.671 120.400 -0.074 0.000 2.218 184 K HA -0.234 4.085 4.320 -0.001 0.000 0.205 184 K C 1.666 178.243 176.600 -0.038 0.000 1.046 184 K CA 1.989 58.234 56.287 -0.071 0.000 0.933 184 K CB -0.119 32.301 32.500 -0.133 0.000 0.728 184 K HN 0.732 nan 8.250 nan 0.000 0.454 185 D N 0.421 120.798 120.400 -0.038 0.000 2.277 185 D HA -0.060 4.579 4.640 -0.001 0.000 0.208 185 D C 0.564 176.837 176.300 -0.046 0.000 0.962 185 D CA 0.580 54.563 54.000 -0.028 0.000 0.865 185 D CB -0.111 40.675 40.800 -0.023 0.000 0.939 185 D HN 0.364 nan 8.370 nan 0.000 0.510 186 Q N -0.627 119.132 119.800 -0.068 0.000 2.260 186 Q HA 0.547 4.887 4.340 -0.001 0.000 0.242 186 Q C -0.015 175.899 176.000 -0.143 0.000 0.932 186 Q CA -0.619 55.127 55.803 -0.095 0.000 0.891 186 Q CB 2.537 31.215 28.738 -0.101 0.000 1.222 186 Q HN 0.473 nan 8.270 nan 0.000 0.453 187 V N -2.175 117.629 119.914 -0.183 0.000 3.167 187 V HA 0.523 4.642 4.120 -0.001 0.000 0.310 187 V C -0.799 175.080 176.094 -0.359 0.000 1.207 187 V CA -1.265 60.865 62.300 -0.285 0.000 1.059 187 V CB 1.948 33.621 31.823 -0.249 0.000 1.079 187 V HN 0.884 nan 8.190 nan 0.000 0.446 188 N N 0.672 119.027 118.700 -0.575 0.000 2.727 188 N HA -0.207 4.533 4.740 -0.001 0.000 0.251 188 N C -0.143 175.018 175.510 -0.580 0.000 1.040 188 N CA 1.255 53.917 53.050 -0.646 0.000 0.712 188 N CB -1.926 36.502 38.487 -0.098 0.000 0.912 188 N HN 1.010 nan 8.380 nan 0.000 0.545 189 N N -0.044 118.174 118.700 -0.803 0.000 3.115 189 N HA 0.120 4.860 4.740 -0.001 0.000 0.305 189 N C 0.517 176.012 175.510 -0.025 0.000 1.305 189 N CA -0.188 52.656 53.050 -0.343 0.000 1.154 189 N CB -0.249 38.081 38.487 -0.260 0.000 1.454 189 N HN 0.295 nan 8.380 nan 0.000 0.551 190 F N 0.142 120.213 119.950 0.201 0.000 2.408 190 F HA -0.053 4.474 4.527 -0.001 0.000 0.300 190 F C 1.616 177.544 175.800 0.214 0.000 1.090 190 F CA 0.567 58.754 58.000 0.312 0.000 1.427 190 F CB -0.003 39.141 39.000 0.240 0.000 1.070 190 F HN 0.263 nan 8.300 nan 0.000 0.549 191 N N 0.018 118.881 118.700 0.270 0.000 2.383 191 N HA -0.035 4.704 4.740 -0.001 0.000 0.192 191 N C -0.240 175.317 175.510 0.079 0.000 1.141 191 N CA 0.109 53.253 53.050 0.157 0.000 0.851 191 N CB -0.561 37.987 38.487 0.102 0.000 0.976 191 N HN 0.098 nan 8.380 nan 0.000 0.465 192 N N 1.801 120.552 118.700 0.085 0.000 2.356 192 N HA -0.028 4.712 4.740 -0.001 0.000 0.252 192 N C -0.157 175.190 175.510 -0.273 0.000 1.241 192 N CA 0.586 53.567 53.050 -0.115 0.000 0.861 192 N CB 0.237 38.663 38.487 -0.102 0.000 1.075 192 N HN 0.095 nan 8.380 nan 0.000 0.461 193 N N 2.002 120.469 118.700 -0.388 0.000 2.426 193 N HA 0.144 4.883 4.740 -0.001 0.000 0.275 193 N C -0.138 175.029 175.510 -0.572 0.000 1.019 193 N CA -0.124 52.736 53.050 -0.317 0.000 0.941 193 N CB 0.855 39.236 38.487 -0.175 0.000 1.123 193 N HN 0.513 nan 8.380 nan 0.000 0.486 194 Y N -0.823 119.413 120.300 -0.107 0.000 2.500 194 Y HA 0.160 4.709 4.550 -0.001 0.000 0.246 194 Y C 0.347 176.129 175.900 -0.196 0.000 1.146 194 Y CA -0.426 57.536 58.100 -0.231 0.000 1.230 194 Y CB 0.675 38.986 38.460 -0.249 0.000 1.214 194 Y HN 0.369 nan 8.280 nan 0.000 0.526 195 D N 1.693 122.075 120.400 -0.031 0.000 2.590 195 D HA 0.200 4.839 4.640 -0.001 0.000 0.280 195 D C -0.454 175.810 176.300 -0.059 0.000 1.197 195 D CA -0.150 53.829 54.000 -0.035 0.000 0.967 195 D CB -0.081 40.714 40.800 -0.007 0.000 0.987 195 D HN 0.482 nan 8.370 nan 0.000 0.508 196 Q N -0.007 119.745 119.800 -0.080 0.000 2.693 196 Q HA 0.459 4.798 4.340 -0.001 0.000 0.306 196 Q C -1.011 174.942 176.000 -0.078 0.000 0.969 196 Q CA -1.071 54.686 55.803 -0.076 0.000 0.757 196 Q CB 0.785 29.470 28.738 -0.089 0.000 1.494 196 Q HN -0.161 nan 8.270 nan 0.000 0.459 197 D N 1.558 121.920 120.400 -0.062 0.000 2.506 197 D HA 0.009 4.648 4.640 -0.001 0.000 0.234 197 D C -0.097 176.179 176.300 -0.039 0.000 1.143 197 D CA 0.961 54.923 54.000 -0.062 0.000 0.871 197 D CB 0.101 40.889 40.800 -0.021 0.000 1.190 197 D HN 0.633 nan 8.370 nan 0.000 0.459 198 N N 0.160 118.788 118.700 -0.120 0.000 2.735 198 N HA -0.172 4.567 4.740 -0.001 0.000 0.248 198 N C -0.998 174.625 175.510 0.188 0.000 1.083 198 N CA 0.351 53.394 53.050 -0.013 0.000 0.703 198 N CB -1.240 37.446 38.487 0.332 0.000 1.005 198 N HN 0.123 nan 8.380 nan 0.000 0.550 199 V N 1.510 121.405 119.914 -0.032 0.000 2.259 199 V HA 0.354 4.473 4.120 -0.001 0.000 0.267 199 V C 0.308 176.408 176.094 0.010 0.000 1.051 199 V CA -0.498 61.896 62.300 0.156 0.000 0.830 199 V CB -0.224 31.588 31.823 -0.019 0.000 1.080 199 V HN 0.076 nan 8.190 nan 0.000 0.467 200 F N 2.614 122.704 119.950 0.234 0.000 2.396 200 F HA 0.365 4.892 4.527 -0.001 0.000 0.343 200 F C 1.020 176.896 175.800 0.127 0.000 1.104 200 F CA -0.286 57.789 58.000 0.125 0.000 1.161 200 F CB 0.760 39.778 39.000 0.029 0.000 1.146 200 F HN 0.325 nan 8.300 nan 0.000 0.522 201 N N 3.236 122.071 118.700 0.225 0.000 2.482 201 N HA 0.154 4.893 4.740 -0.001 0.000 0.242 201 N C -1.196 174.331 175.510 0.029 0.000 1.100 201 N CA -0.002 53.131 53.050 0.139 0.000 0.946 201 N CB 0.415 38.961 38.487 0.098 0.000 1.227 201 N HN 0.280 nan 8.380 nan 0.000 0.508 202 V N 4.699 124.557 119.914 -0.092 0.000 2.432 202 V HA 0.463 4.582 4.120 -0.001 0.000 0.275 202 V C 0.548 176.338 176.094 -0.506 0.000 1.043 202 V CA -0.601 61.412 62.300 -0.478 0.000 0.925 202 V CB 1.024 32.237 31.823 -1.017 0.000 0.985 202 V HN 0.418 nan 8.190 nan 0.000 0.466 203 R N 3.406 123.559 120.500 -0.579 0.000 2.803 203 R HA 0.596 4.935 4.340 -0.001 0.000 0.276 203 R C -1.538 174.325 176.300 -0.730 0.000 0.978 203 R CA -0.596 55.235 56.100 -0.450 0.000 0.939 203 R CB 2.264 32.416 30.300 -0.247 0.000 1.179 203 R HN 0.545 nan 8.270 nan 0.000 0.472 204 F N 1.908 121.775 119.950 -0.137 0.000 2.445 204 F HA 0.301 4.827 4.527 -0.001 0.000 0.348 204 F C 0.054 175.707 175.800 -0.244 0.000 1.125 204 F CA -0.965 56.930 58.000 -0.175 0.000 0.983 204 F CB 1.354 40.294 39.000 -0.099 0.000 1.198 204 F HN 0.115 nan 8.300 nan 0.000 0.436 205 L N 4.183 125.327 121.223 -0.132 0.000 2.287 205 L HA 0.652 4.992 4.340 -0.001 0.000 0.280 205 L C 0.252 176.982 176.870 -0.234 0.000 1.055 205 L CA 0.238 54.976 54.840 -0.170 0.000 0.863 205 L CB 0.405 42.370 42.059 -0.158 0.000 1.245 205 L HN 0.714 nan 8.230 nan 0.000 0.432 206 A N 3.780 126.403 122.820 -0.328 0.000 2.026 206 A HA 0.250 4.570 4.320 -0.001 0.000 0.201 206 A C 0.863 178.317 177.584 -0.217 0.000 1.318 206 A CA -0.053 51.719 52.037 -0.441 0.000 0.857 206 A CB -0.119 18.255 19.000 -1.044 0.000 0.939 206 A HN 0.603 nan 8.150 nan 0.000 0.476 207 N N 0.430 119.038 118.700 -0.153 0.000 2.529 207 N HA 0.147 4.886 4.740 -0.001 0.000 0.278 207 N C 0.724 176.196 175.510 -0.064 0.000 1.146 207 N CA 0.126 53.130 53.050 -0.078 0.000 0.980 207 N CB 1.734 40.190 38.487 -0.051 0.000 1.124 207 N HN -0.028 nan 8.380 nan 0.000 0.458 208 V N 1.916 121.807 119.914 -0.038 0.000 2.970 208 V HA -0.107 4.012 4.120 -0.001 0.000 0.260 208 V C 0.371 176.454 176.094 -0.018 0.000 1.100 208 V CA 0.736 63.020 62.300 -0.027 0.000 1.122 208 V CB -0.701 31.115 31.823 -0.011 0.000 0.721 208 V HN 0.687 nan 8.190 nan 0.000 0.483 209 D N 1.165 121.554 120.400 -0.017 0.000 2.520 209 D HA -0.004 4.635 4.640 -0.001 0.000 0.243 209 D C -1.151 175.135 176.300 -0.023 0.000 1.160 209 D CA -1.569 52.425 54.000 -0.011 0.000 0.877 209 D CB 1.392 42.186 40.800 -0.010 0.000 1.150 209 D HN 0.249 nan 8.370 nan 0.000 0.494 210 P HA -0.146 nan 4.420 nan 0.000 0.223 210 P C 0.724 178.001 177.300 -0.039 0.000 1.144 210 P CA 0.542 63.624 63.100 -0.029 0.000 0.783 210 P CB 0.350 32.040 31.700 -0.018 0.000 0.771 211 N N 0.509 119.191 118.700 -0.030 0.000 2.205 211 N HA -0.159 4.581 4.740 -0.001 0.000 0.186 211 N C 1.534 177.015 175.510 -0.047 0.000 1.015 211 N CA 1.286 54.316 53.050 -0.032 0.000 0.862 211 N CB -0.870 37.606 38.487 -0.019 0.000 0.986 211 N HN 0.168 nan 8.380 nan 0.000 0.429 212 D N 0.276 120.644 120.400 -0.053 0.000 2.224 212 D HA -0.024 4.615 4.640 -0.001 0.000 0.205 212 D C 1.878 178.116 176.300 -0.103 0.000 0.965 212 D CA 0.196 54.153 54.000 -0.071 0.000 0.852 212 D CB 0.205 40.961 40.800 -0.074 0.000 0.947 212 D HN -0.059 nan 8.370 nan 0.000 0.494 213 V N 0.542 120.391 119.914 -0.108 0.000 2.307 213 V HA -0.217 3.902 4.120 -0.001 0.000 0.245 213 V C 2.301 178.284 176.094 -0.185 0.000 1.045 213 V CA 1.770 63.977 62.300 -0.155 0.000 1.024 213 V CB -0.711 31.037 31.823 -0.126 0.000 0.651 213 V HN 0.333 nan 8.190 nan 0.000 0.449 214 N N -0.223 118.402 118.700 -0.126 0.000 2.061 214 N HA -0.251 4.489 4.740 -0.001 0.000 0.193 214 N C 2.098 177.539 175.510 -0.116 0.000 1.030 214 N CA 1.559 54.543 53.050 -0.111 0.000 0.856 214 N CB -0.001 38.448 38.487 -0.064 0.000 1.023 214 N HN 0.433 nan 8.380 nan 0.000 0.424 215 R N 0.208 120.650 120.500 -0.098 0.000 2.075 215 R HA -0.012 4.327 4.340 -0.001 0.000 0.232 215 R C 2.395 178.624 176.300 -0.118 0.000 1.126 215 R CA 1.193 57.245 56.100 -0.080 0.000 0.963 215 R CB -0.279 29.991 30.300 -0.049 0.000 0.858 215 R HN 0.228 nan 8.270 nan 0.000 0.435 216 A N 1.822 124.541 122.820 -0.168 0.000 1.908 216 A HA -0.153 4.166 4.320 -0.001 0.000 0.218 216 A C 2.141 179.538 177.584 -0.312 0.000 1.181 216 A CA 1.632 53.536 52.037 -0.222 0.000 0.627 216 A CB -0.659 18.191 19.000 -0.250 0.000 0.818 216 A HN 0.502 nan 8.150 nan 0.000 0.445 217 I N -3.582 116.732 120.570 -0.426 0.000 3.684 217 I HA 0.079 4.249 4.170 -0.001 0.000 0.304 217 I C 0.774 176.756 176.117 -0.226 0.000 1.278 217 I CA -0.055 60.890 61.300 -0.591 0.000 1.272 217 I CB -0.247 37.102 38.000 -1.084 0.000 1.029 217 I HN 0.173 nan 8.210 nan 0.000 0.458 218 Q N 3.252 122.968 119.800 -0.140 0.000 2.247 218 Q HA -0.074 4.265 4.340 -0.001 0.000 0.288 218 Q C -0.028 175.972 176.000 0.000 0.000 1.079 218 Q CA 0.572 56.346 55.803 -0.048 0.000 0.932 218 Q CB 0.238 28.953 28.738 -0.038 0.000 1.133 218 Q HN 0.591 nan 8.270 nan 0.000 0.377 219 N N 1.656 120.378 118.700 0.036 0.000 2.778 219 N HA -0.229 4.510 4.740 -0.001 0.000 0.249 219 N C -0.812 174.754 175.510 0.093 0.000 1.069 219 N CA 0.878 53.963 53.050 0.059 0.000 0.831 219 N CB -1.373 37.140 38.487 0.043 0.000 1.142 219 N HN 0.492 nan 8.380 nan 0.000 0.573 220 L N 0.461 121.768 121.223 0.140 0.000 2.325 220 L HA 0.379 4.718 4.340 -0.001 0.000 0.279 220 L C 0.577 177.636 176.870 0.315 0.000 1.054 220 L CA -0.669 54.307 54.840 0.227 0.000 0.804 220 L CB 1.230 43.441 42.059 0.254 0.000 1.200 220 L HN -0.103 nan 8.230 nan 0.000 0.436 221 D N 1.515 122.041 120.400 0.210 0.000 2.198 221 D HA 0.136 4.775 4.640 -0.001 0.000 0.245 221 D C 0.628 176.938 176.300 0.016 0.000 1.079 221 D CA -0.322 53.725 54.000 0.078 0.000 0.854 221 D CB 1.863 42.698 40.800 0.059 0.000 1.148 221 D HN 0.439 nan 8.370 nan 0.000 0.456 222 Q N 2.083 121.653 119.800 -0.383 0.000 2.152 222 Q HA -0.204 4.135 4.340 -0.001 0.000 0.206 222 Q C 1.201 177.080 176.000 -0.202 0.000 0.985 222 Q CA 1.691 57.117 55.803 -0.628 0.000 0.863 222 Q CB -0.300 27.800 28.738 -1.063 0.000 0.904 222 Q HN 0.611 nan 8.270 nan 0.000 0.422 223 Y N 0.481 120.706 120.300 -0.125 0.000 2.403 223 Y HA -0.142 4.407 4.550 -0.001 0.000 0.291 223 Y C 1.179 177.145 175.900 0.110 0.000 1.143 223 Y CA 0.835 58.914 58.100 -0.034 0.000 1.257 223 Y CB -0.006 38.415 38.460 -0.066 0.000 0.984 223 Y HN 0.166 nan 8.280 nan 0.000 0.550 224 D N -1.426 119.128 120.400 0.257 0.000 2.369 224 D HA 0.063 4.703 4.640 -0.001 0.000 0.211 224 D C 0.062 176.584 176.300 0.370 0.000 1.077 224 D CA 0.354 54.473 54.000 0.200 0.000 0.842 224 D CB 0.244 41.139 40.800 0.159 0.000 0.947 224 D HN 0.100 nan 8.370 nan 0.000 0.509 225 T N 1.600 116.450 114.554 0.494 0.000 2.767 225 T HA 0.377 4.727 4.350 -0.001 0.000 0.284 225 T C -0.162 174.928 174.700 0.650 0.000 0.973 225 T CA -0.563 61.862 62.100 0.543 0.000 0.996 225 T CB 1.851 71.024 68.868 0.508 0.000 0.927 225 T HN -0.106 nan 8.240 nan 0.000 0.456 226 L N 5.068 126.504 121.223 0.356 0.000 2.289 226 L HA 0.640 4.979 4.340 -0.001 0.000 0.285 226 L C -0.847 176.052 176.870 0.050 0.000 1.049 226 L CA -0.377 54.455 54.840 -0.013 0.000 0.804 226 L CB 1.124 42.860 42.059 -0.539 0.000 1.195 226 L HN 0.425 nan 8.230 nan 0.000 0.428 227 V N 6.742 126.707 119.914 0.086 0.000 2.384 227 V HA 0.453 4.573 4.120 -0.001 0.000 0.287 227 V C -0.004 176.096 176.094 0.011 0.000 1.020 227 V CA -0.429 61.914 62.300 0.072 0.000 0.850 227 V CB 1.434 33.359 31.823 0.171 0.000 0.987 227 V HN 0.576 nan 8.190 nan 0.000 0.436 228 I N 6.123 126.661 120.570 -0.053 0.000 2.355 228 I HA 0.475 4.644 4.170 -0.001 0.000 0.288 228 I C -0.549 175.542 176.117 -0.044 0.000 0.999 228 I CA -0.339 60.920 61.300 -0.069 0.000 1.163 228 I CB 1.556 39.469 38.000 -0.144 0.000 1.316 228 I HN 0.442 nan 8.210 nan 0.000 0.454 229 I N 7.464 128.038 120.570 0.007 0.000 2.312 229 I HA 0.358 4.527 4.170 -0.001 0.000 0.290 229 I C -0.325 175.845 176.117 0.087 0.000 1.008 229 I CA -0.286 61.012 61.300 -0.003 0.000 1.226 229 I CB 1.004 38.956 38.000 -0.080 0.000 1.371 229 I HN 0.403 nan 8.210 nan 0.000 0.468 230 I N 5.807 126.391 120.570 0.022 0.000 2.354 230 I HA 0.403 4.572 4.170 -0.001 0.000 0.286 230 I C 0.016 176.182 176.117 0.082 0.000 1.007 230 I CA 0.003 61.334 61.300 0.051 0.000 1.167 230 I CB 1.337 39.323 38.000 -0.023 0.000 1.320 230 I HN 0.519 nan 8.210 nan 0.000 0.458 231 S N 4.937 120.759 115.700 0.204 0.000 2.584 231 S HA 0.228 4.698 4.470 -0.001 0.000 0.282 231 S C 0.370 175.138 174.600 0.281 0.000 1.138 231 S CA -0.764 57.552 58.200 0.194 0.000 0.987 231 S CB 1.122 64.346 63.200 0.040 0.000 1.137 231 S HN 0.633 nan 8.310 nan 0.000 0.457 232 K N 2.682 123.217 120.400 0.225 0.000 2.020 232 K HA -0.100 4.220 4.320 -0.001 0.000 0.212 232 K C 2.018 178.598 176.600 -0.033 0.000 1.050 232 K CA 3.030 59.280 56.287 -0.062 0.000 0.929 232 K CB -0.695 31.634 32.500 -0.285 0.000 0.714 232 K HN 0.776 nan 8.250 nan 0.000 0.443 233 T N -3.317 111.253 114.554 0.027 0.000 3.043 233 T HA -0.025 4.324 4.350 -0.001 0.000 0.263 233 T C 0.783 175.579 174.700 0.160 0.000 1.094 233 T CA 0.557 62.685 62.100 0.046 0.000 1.127 233 T CB -0.337 68.546 68.868 0.026 0.000 0.905 233 T HN 0.244 nan 8.240 nan 0.000 0.490 234 F N 1.987 121.909 119.950 -0.048 0.000 3.034 234 F HA -0.264 4.262 4.527 -0.001 0.000 0.286 234 F C 1.167 176.947 175.800 -0.034 0.000 0.804 234 F CA 0.987 58.951 58.000 -0.061 0.000 1.161 234 F CB -1.871 37.086 39.000 -0.071 0.000 1.317 234 F HN 0.545 nan 8.300 nan 0.000 0.453 235 T N -5.316 109.244 114.554 0.010 0.000 3.016 235 T HA 0.179 4.529 4.350 -0.001 0.000 0.271 235 T C 0.639 175.320 174.700 -0.032 0.000 0.968 235 T CA 0.582 62.678 62.100 -0.006 0.000 0.891 235 T CB -0.033 68.854 68.868 0.031 0.000 1.149 235 T HN 0.140 nan 8.240 nan 0.000 0.524 236 T N 3.133 117.659 114.554 -0.046 0.000 2.750 236 T HA 0.344 4.693 4.350 -0.001 0.000 0.277 236 T C 1.785 176.455 174.700 -0.050 0.000 0.996 236 T CA 0.356 62.434 62.100 -0.038 0.000 1.195 236 T CB 0.484 69.328 68.868 -0.040 0.000 0.963 236 T HN 0.502 nan 8.240 nan 0.000 0.516 237 A N 4.438 127.245 122.820 -0.022 0.000 1.884 237 A HA -0.234 4.085 4.320 -0.001 0.000 0.219 237 A C 2.183 179.752 177.584 -0.025 0.000 1.197 237 A CA 1.976 54.004 52.037 -0.015 0.000 0.637 237 A CB -0.544 18.459 19.000 0.004 0.000 0.827 237 A HN 0.800 nan 8.150 nan 0.000 0.450 238 E N -0.777 119.408 120.200 -0.026 0.000 2.028 238 E HA -0.071 4.279 4.350 -0.001 0.000 0.191 238 E C 2.187 178.751 176.600 -0.060 0.000 0.988 238 E CA 1.707 58.088 56.400 -0.032 0.000 0.799 238 E CB -0.729 28.956 29.700 -0.025 0.000 0.755 238 E HN 0.602 nan 8.360 nan 0.000 0.447 239 T N 1.059 115.565 114.554 -0.079 0.000 2.684 239 T HA -0.163 4.187 4.350 -0.001 0.000 0.267 239 T C 1.665 176.261 174.700 -0.174 0.000 1.036 239 T CA 1.466 63.491 62.100 -0.125 0.000 1.148 239 T CB -0.124 68.664 68.868 -0.134 0.000 0.863 239 T HN 0.044 nan 8.240 nan 0.000 0.436 240 M N 0.555 120.044 119.600 -0.184 0.000 2.200 240 M HA 0.155 4.635 4.480 -0.001 0.000 0.265 240 M C 2.250 178.511 176.300 -0.064 0.000 1.066 240 M CA 0.809 55.989 55.300 -0.201 0.000 1.127 240 M CB -1.493 30.988 32.600 -0.199 0.000 1.379 240 M HN 0.197 nan 8.290 nan 0.000 0.420 241 L N 1.188 122.390 121.223 -0.036 0.000 2.093 241 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 241 L C 1.946 178.818 176.870 0.002 0.000 1.085 241 L CA 1.790 56.632 54.840 0.002 0.000 0.755 241 L CB -0.902 41.160 42.059 0.004 0.000 0.904 241 L HN 0.234 nan 8.230 nan 0.000 0.435 242 N N 0.119 118.801 118.700 -0.031 0.000 2.188 242 N HA -0.100 4.639 4.740 -0.001 0.000 0.184 242 N C 1.832 177.337 175.510 -0.008 0.000 1.018 242 N CA 1.469 54.498 53.050 -0.035 0.000 0.858 242 N CB -0.345 38.100 38.487 -0.071 0.000 0.989 242 N HN 0.521 nan 8.380 nan 0.000 0.426 243 A N 1.564 124.367 122.820 -0.028 0.000 1.877 243 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 243 A C 2.250 180.009 177.584 0.292 0.000 1.186 243 A CA 1.162 53.218 52.037 0.032 0.000 0.620 243 A CB -0.420 18.414 19.000 -0.276 0.000 0.822 243 A HN 0.236 nan 8.150 nan 0.000 0.443 244 R N -0.224 120.433 120.500 0.263 0.000 2.096 244 R HA -0.079 4.261 4.340 -0.001 0.000 0.235 244 R C 2.498 178.876 176.300 0.131 0.000 1.127 244 R CA 1.565 57.796 56.100 0.218 0.000 0.968 244 R CB -0.379 30.006 30.300 0.141 0.000 0.861 244 R HN 0.522 nan 8.270 nan 0.000 0.440 245 S N 0.759 116.518 115.700 0.098 0.000 2.368 245 S HA -0.047 4.422 4.470 -0.001 0.000 0.224 245 S C 1.906 176.581 174.600 0.126 0.000 1.029 245 S CA 0.820 59.068 58.200 0.080 0.000 0.988 245 S CB -0.042 63.179 63.200 0.035 0.000 0.838 245 S HN 0.169 nan 8.310 nan 0.000 0.462 246 I N 1.773 122.425 120.570 0.136 0.000 2.439 246 I HA -0.050 4.119 4.170 -0.001 0.000 0.251 246 I C 2.331 178.631 176.117 0.305 0.000 1.139 246 I CA 1.141 62.568 61.300 0.211 0.000 1.438 246 I CB -0.910 37.163 38.000 0.122 0.000 1.085 246 I HN 0.308 nan 8.210 nan 0.000 0.427 247 K N 1.187 121.732 120.400 0.241 0.000 2.097 247 K HA -0.163 4.156 4.320 -0.001 0.000 0.205 247 K C 2.092 178.753 176.600 0.101 0.000 1.050 247 K CA 1.041 57.433 56.287 0.175 0.000 0.938 247 K CB 0.170 32.733 32.500 0.104 0.000 0.718 247 K HN 0.087 nan 8.250 nan 0.000 0.442 248 K N -0.018 120.443 120.400 0.103 0.000 2.057 248 K HA -0.202 4.118 4.320 -0.001 0.000 0.207 248 K C 1.843 178.505 176.600 0.105 0.000 1.049 248 K CA 1.516 57.846 56.287 0.072 0.000 0.931 248 K CB -0.455 32.087 32.500 0.070 0.000 0.714 248 K HN 0.377 nan 8.250 nan 0.000 0.440 249 W N 2.073 123.362 121.300 -0.018 0.000 2.355 249 W HA -0.146 4.513 4.660 -0.001 0.000 0.309 249 W C 1.741 178.231 176.519 -0.049 0.000 1.206 249 W CA 1.170 58.496 57.345 -0.031 0.000 1.284 249 W CB -0.446 29.001 29.460 -0.021 0.000 1.145 249 W HN -0.074 nan 8.180 nan 0.000 0.502 250 L N 0.313 121.496 121.223 -0.067 0.000 2.042 250 L HA -0.261 4.078 4.340 -0.001 0.000 0.210 250 L C 2.450 179.138 176.870 -0.304 0.000 1.076 250 L CA 1.809 56.461 54.840 -0.313 0.000 0.749 250 L CB -1.095 40.940 42.059 -0.039 0.000 0.893 250 L HN -0.124 nan 8.230 nan 0.000 0.432 251 S N -0.158 115.450 115.700 -0.154 0.000 2.547 251 S HA -0.025 4.445 4.470 -0.001 0.000 0.235 251 S C 1.852 176.362 174.600 -0.150 0.000 0.980 251 S CA 0.597 58.722 58.200 -0.126 0.000 0.941 251 S CB -0.177 62.982 63.200 -0.068 0.000 0.763 251 S HN 0.310 nan 8.310 nan 0.000 0.532 252 L N 0.408 121.502 121.223 -0.213 0.000 2.201 252 L HA -0.044 4.296 4.340 -0.001 0.000 0.212 252 L C 2.315 179.041 176.870 -0.239 0.000 1.105 252 L CA 1.094 55.812 54.840 -0.204 0.000 0.775 252 L CB -0.201 41.720 42.059 -0.231 0.000 0.913 252 L HN 0.219 nan 8.230 nan 0.000 0.440 253 K N -0.532 119.663 120.400 -0.342 0.000 2.443 253 K HA 0.308 4.627 4.320 -0.001 0.000 0.200 253 K C 0.605 177.102 176.600 -0.172 0.000 1.278 253 K CA 0.173 56.242 56.287 -0.362 0.000 0.925 253 K CB 0.969 32.972 32.500 -0.827 0.000 1.225 253 K HN 0.136 nan 8.250 nan 0.000 0.514 254 I N 3.190 123.642 120.570 -0.197 0.000 2.316 254 I HA 0.130 4.299 4.170 -0.001 0.000 0.286 254 I C 0.918 176.993 176.117 -0.071 0.000 1.107 254 I CA -0.093 61.155 61.300 -0.088 0.000 1.219 254 I CB 0.702 38.591 38.000 -0.184 0.000 1.455 254 I HN -0.038 nan 8.210 nan 0.000 0.498 255 K N 2.561 122.939 120.400 -0.037 0.000 2.314 255 K HA 0.045 4.365 4.320 -0.001 0.000 0.198 255 K C 0.708 177.296 176.600 -0.020 0.000 1.045 255 K CA 0.465 56.731 56.287 -0.035 0.000 0.988 255 K CB 0.006 32.488 32.500 -0.030 0.000 0.783 255 K HN 0.714 nan 8.250 nan 0.000 0.484 256 D N 1.966 122.362 120.400 -0.007 0.000 2.304 256 D HA 0.034 4.674 4.640 -0.001 0.000 0.250 256 D C 0.354 176.661 176.300 0.012 0.000 1.107 256 D CA -0.538 53.463 54.000 0.002 0.000 0.885 256 D CB 0.618 41.423 40.800 0.009 0.000 1.192 256 D HN -0.068 nan 8.370 nan 0.000 0.436 257 D N 0.174 120.580 120.400 0.010 0.000 2.149 257 D HA -0.173 4.467 4.640 -0.001 0.000 0.198 257 D C 1.689 178.014 176.300 0.043 0.000 0.990 257 D CA 1.302 55.313 54.000 0.019 0.000 0.839 257 D CB 0.018 40.824 40.800 0.009 0.000 0.948 257 D HN 0.797 nan 8.370 nan 0.000 0.460 258 E N 0.191 120.416 120.200 0.043 0.000 2.152 258 E HA -0.135 4.214 4.350 -0.001 0.000 0.192 258 E C 1.549 178.201 176.600 0.088 0.000 0.983 258 E CA 0.553 56.988 56.400 0.058 0.000 0.818 258 E CB 0.229 29.956 29.700 0.044 0.000 0.758 258 E HN 0.083 nan 8.360 nan 0.000 0.467 259 N N 0.575 119.325 118.700 0.082 0.000 2.207 259 N HA -0.117 4.622 4.740 -0.001 0.000 0.182 259 N C 1.746 177.364 175.510 0.180 0.000 1.020 259 N CA 0.452 53.574 53.050 0.120 0.000 0.858 259 N CB -0.277 38.251 38.487 0.069 0.000 0.991 259 N HN 0.150 nan 8.380 nan 0.000 0.427 260 L N 1.467 122.759 121.223 0.115 0.000 2.079 260 L HA -0.112 4.227 4.340 -0.001 0.000 0.210 260 L C 2.215 179.210 176.870 0.208 0.000 1.081 260 L CA 1.427 56.343 54.840 0.126 0.000 0.752 260 L CB -0.940 41.155 42.059 0.060 0.000 0.896 260 L HN 0.221 nan 8.230 nan 0.000 0.433 261 S N -1.815 113.989 115.700 0.174 0.000 2.447 261 S HA -0.163 4.306 4.470 -0.001 0.000 0.233 261 S C 1.870 176.595 174.600 0.209 0.000 1.006 261 S CA 0.702 59.005 58.200 0.172 0.000 0.957 261 S CB -0.468 62.803 63.200 0.118 0.000 0.773 261 S HN 0.492 nan 8.310 nan 0.000 0.507 262 K N 0.220 120.782 120.400 0.270 0.000 2.288 262 K HA 0.044 4.363 4.320 -0.001 0.000 0.201 262 K C 1.365 178.160 176.600 0.324 0.000 1.048 262 K CA 1.001 57.466 56.287 0.297 0.000 0.956 262 K CB -0.162 32.524 32.500 0.309 0.000 0.746 262 K HN 0.614 nan 8.250 nan 0.000 0.461 263 H N -0.922 118.328 119.070 0.299 0.000 2.652 263 H HA 0.254 4.810 4.556 -0.001 0.000 0.274 263 H C -0.019 175.421 175.328 0.188 0.000 1.021 263 H CA 0.089 56.330 56.048 0.321 0.000 1.187 263 H CB 0.520 30.471 29.762 0.315 0.000 1.505 263 H HN 0.047 nan 8.280 nan 0.000 0.530 264 M N 1.519 121.266 119.600 0.246 0.000 2.326 264 M HA 0.333 4.812 4.480 -0.001 0.000 0.306 264 M C -0.704 175.668 176.300 0.120 0.000 1.054 264 M CA -0.873 54.545 55.300 0.197 0.000 0.922 264 M CB 3.421 36.183 32.600 0.270 0.000 1.632 264 M HN -0.122 nan 8.290 nan 0.000 0.436 265 V N 0.861 120.817 119.914 0.070 0.000 2.962 265 V HA 1.060 5.179 4.120 -0.001 0.000 0.313 265 V C -1.466 174.654 176.094 0.044 0.000 1.099 265 V CA -0.380 61.936 62.300 0.026 0.000 0.971 265 V CB 1.974 33.767 31.823 -0.051 0.000 1.028 265 V HN 0.997 nan 8.190 nan 0.000 0.430 266 A N 3.579 126.418 122.820 0.032 0.000 2.401 266 A HA 0.879 5.198 4.320 -0.001 0.000 0.310 266 A C -1.020 176.597 177.584 0.056 0.000 1.075 266 A CA -0.644 51.409 52.037 0.027 0.000 0.746 266 A CB 2.147 21.012 19.000 -0.226 0.000 1.277 266 A HN 1.515 nan 8.150 nan 0.000 0.425 267 V N 1.911 121.875 119.914 0.083 0.000 2.304 267 V HA 0.687 4.806 4.120 -0.001 0.000 0.278 267 V C 0.092 176.307 176.094 0.201 0.000 1.018 267 V CA 0.100 62.455 62.300 0.092 0.000 0.814 267 V CB 0.365 32.161 31.823 -0.045 0.000 1.021 267 V HN 1.038 nan 8.190 nan 0.000 0.440 268 S N 2.727 118.499 115.700 0.120 0.000 2.615 268 S HA 0.481 4.950 4.470 -0.001 0.000 0.268 268 S C 0.619 175.121 174.600 -0.162 0.000 1.146 268 S CA 0.326 58.544 58.200 0.030 0.000 0.818 268 S CB 2.164 65.300 63.200 -0.106 0.000 1.111 268 S HN 0.792 nan 8.310 nan 0.000 0.465 269 T N -0.616 113.793 114.554 -0.242 0.000 2.985 269 T HA 0.293 4.642 4.350 -0.001 0.000 0.254 269 T C 0.399 174.988 174.700 -0.185 0.000 1.021 269 T CA -0.061 61.884 62.100 -0.258 0.000 0.957 269 T CB -0.325 68.345 68.868 -0.330 0.000 1.047 269 T HN 0.384 nan 8.240 nan 0.000 0.511 270 N N 2.118 120.721 118.700 -0.162 0.000 2.605 270 N HA 0.226 4.965 4.740 -0.001 0.000 0.258 270 N C 0.887 176.297 175.510 -0.168 0.000 1.156 270 N CA -0.267 52.714 53.050 -0.115 0.000 1.008 270 N CB -0.054 38.417 38.487 -0.026 0.000 1.354 270 N HN 0.412 nan 8.380 nan 0.000 0.509 271 L N 1.895 123.033 121.223 -0.142 0.000 2.201 271 L HA -0.110 4.229 4.340 -0.001 0.000 0.212 271 L C 2.384 179.194 176.870 -0.099 0.000 1.105 271 L CA 0.849 55.603 54.840 -0.143 0.000 0.775 271 L CB -0.162 41.829 42.059 -0.113 0.000 0.913 271 L HN 0.472 nan 8.230 nan 0.000 0.440 272 K N 1.022 121.388 120.400 -0.057 0.000 2.026 272 K HA -0.161 4.158 4.320 -0.001 0.000 0.208 272 K C 2.102 178.708 176.600 0.009 0.000 1.048 272 K CA 1.332 57.609 56.287 -0.017 0.000 0.929 272 K CB -0.022 32.478 32.500 0.000 0.000 0.713 272 K HN 0.268 nan 8.250 nan 0.000 0.439 273 L N 0.888 122.124 121.223 0.021 0.000 2.156 273 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 273 L C 2.676 179.616 176.870 0.118 0.000 1.095 273 L CA 1.546 56.461 54.840 0.126 0.000 0.770 273 L CB -0.780 41.415 42.059 0.226 0.000 0.914 273 L HN 0.453 nan 8.230 nan 0.000 0.439 274 T N -4.096 110.329 114.554 -0.215 0.000 2.777 274 T HA -0.207 4.143 4.350 -0.001 0.000 0.266 274 T C 1.602 176.288 174.700 -0.023 0.000 1.040 274 T CA 1.210 63.090 62.100 -0.367 0.000 1.141 274 T CB -0.309 68.178 68.868 -0.635 0.000 0.868 274 T HN 0.232 nan 8.240 nan 0.000 0.444 275 D N 1.275 121.661 120.400 -0.023 0.000 2.097 275 D HA -0.101 4.539 4.640 -0.001 0.000 0.195 275 D C 2.220 178.565 176.300 0.074 0.000 0.989 275 D CA 1.282 55.293 54.000 0.019 0.000 0.827 275 D CB -0.154 40.645 40.800 -0.002 0.000 0.966 275 D HN 0.587 nan 8.370 nan 0.000 0.456 276 E N -0.538 119.722 120.200 0.101 0.000 2.153 276 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 276 E C 1.805 178.497 176.600 0.153 0.000 0.988 276 E CA 0.419 56.888 56.400 0.114 0.000 0.811 276 E CB -0.108 29.668 29.700 0.127 0.000 0.746 276 E HN 0.207 nan 8.360 nan 0.000 0.466 277 F N -0.268 119.749 119.950 0.111 0.000 2.502 277 F HA 0.029 4.556 4.527 -0.001 0.000 0.298 277 F C 1.395 177.258 175.800 0.105 0.000 1.111 277 F CA 1.363 59.455 58.000 0.153 0.000 1.445 277 F CB 0.498 39.693 39.000 0.325 0.000 1.081 277 F HN 0.103 nan 8.300 nan 0.000 0.558 278 G N 1.021 109.922 108.800 0.169 0.000 2.131 278 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.201 278 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.201 278 G C 0.083 175.072 174.900 0.147 0.000 1.000 278 G CA -0.014 45.145 45.100 0.099 0.000 0.680 278 G HN 0.290 nan 8.290 nan 0.000 0.514 279 I N 1.676 122.352 120.570 0.176 0.000 2.365 279 I HA 0.433 4.602 4.170 -0.001 0.000 0.291 279 I C 1.183 177.321 176.117 0.034 0.000 1.004 279 I CA -0.389 60.982 61.300 0.118 0.000 1.311 279 I CB 1.651 39.706 38.000 0.092 0.000 1.401 279 I HN 0.191 nan 8.210 nan 0.000 0.491 280 S N 5.006 120.721 115.700 0.026 0.000 2.579 280 S HA 0.130 4.600 4.470 -0.001 0.000 0.275 280 S C 1.447 176.009 174.600 -0.063 0.000 1.345 280 S CA -0.386 57.811 58.200 -0.005 0.000 1.031 280 S CB 0.710 63.919 63.200 0.016 0.000 0.892 280 S HN 0.514 nan 8.310 nan 0.000 0.529 281 R N 1.900 122.356 120.500 -0.073 0.000 2.152 281 R HA -0.029 4.310 4.340 -0.001 0.000 0.232 281 R C 1.042 177.237 176.300 -0.175 0.000 1.117 281 R CA 1.233 57.262 56.100 -0.118 0.000 0.981 281 R CB -0.847 29.399 30.300 -0.091 0.000 0.870 281 R HN 0.696 nan 8.270 nan 0.000 0.451 282 D N -0.023 120.290 120.400 -0.145 0.000 2.363 282 D HA -0.052 4.587 4.640 -0.001 0.000 0.220 282 D C 0.339 176.446 176.300 -0.323 0.000 0.994 282 D CA 0.608 54.493 54.000 -0.191 0.000 0.890 282 D CB -0.013 40.743 40.800 -0.073 0.000 0.906 282 D HN 0.102 nan 8.370 nan 0.000 0.530 283 N N -0.336 118.203 118.700 -0.269 0.000 2.238 283 N HA 0.064 4.803 4.740 -0.001 0.000 0.222 283 N C -0.757 174.586 175.510 -0.278 0.000 1.133 283 N CA 0.028 52.920 53.050 -0.262 0.000 0.854 283 N CB 1.240 39.681 38.487 -0.076 0.000 1.041 283 N HN -0.111 nan 8.380 nan 0.000 0.510 284 V N 1.411 121.055 119.914 -0.450 0.000 2.384 284 V HA 0.444 4.563 4.120 -0.001 0.000 0.287 284 V C -0.744 175.041 176.094 -0.515 0.000 1.020 284 V CA -0.731 61.368 62.300 -0.334 0.000 0.850 284 V CB 0.792 32.450 31.823 -0.275 0.000 0.987 284 V HN -0.039 nan 8.190 nan 0.000 0.436 285 F N 3.331 123.172 119.950 -0.182 0.000 2.426 285 F HA 0.469 4.996 4.527 -0.001 0.000 0.348 285 F C 0.635 176.346 175.800 -0.147 0.000 1.124 285 F CA -0.685 57.221 58.000 -0.157 0.000 1.008 285 F CB 1.388 40.288 39.000 -0.167 0.000 1.139 285 F HN 0.628 nan 8.300 nan 0.000 0.452 286 E N 4.041 124.193 120.200 -0.080 0.000 2.318 286 E HA 0.593 4.942 4.350 -0.001 0.000 0.265 286 E C -1.338 174.935 176.600 -0.545 0.000 1.069 286 E CA -0.461 55.771 56.400 -0.280 0.000 0.893 286 E CB 1.624 31.129 29.700 -0.325 0.000 1.076 286 E HN 0.452 nan 8.360 nan 0.000 0.414 287 F N -0.812 118.470 119.950 -1.114 0.000 2.715 287 F HA 0.676 5.202 4.527 -0.001 0.000 0.318 287 F C -1.601 173.272 175.800 -1.546 0.000 1.141 287 F CA -1.411 55.709 58.000 -1.468 0.000 0.950 287 F CB 0.971 39.587 39.000 -0.640 0.000 1.374 287 F HN 0.394 nan 8.300 nan 0.000 0.477 288 W N 1.249 122.221 121.300 -0.546 0.000 2.820 288 W HA 0.224 4.884 4.660 -0.001 0.000 0.350 288 W C 0.372 176.431 176.519 -0.766 0.000 1.116 288 W CA -0.209 56.617 57.345 -0.864 0.000 1.146 288 W CB 1.535 30.093 29.460 -1.504 0.000 1.433 288 W HN 0.754 nan 8.180 nan 0.000 0.561 289 D N -0.419 119.749 120.400 -0.386 0.000 2.263 289 D HA -0.211 4.428 4.640 -0.001 0.000 0.208 289 D C 1.500 177.790 176.300 -0.017 0.000 0.971 289 D CA 1.203 55.093 54.000 -0.182 0.000 0.867 289 D CB -0.584 40.171 40.800 -0.075 0.000 0.929 289 D HN 0.558 nan 8.370 nan 0.000 0.492 290 W N 0.668 122.050 121.300 0.137 0.000 3.180 290 W HA 0.318 4.977 4.660 -0.001 0.000 0.254 290 W C -0.568 176.035 176.519 0.140 0.000 1.318 290 W CA -0.612 56.787 57.345 0.090 0.000 1.608 290 W CB -0.423 29.058 29.460 0.036 0.000 1.124 290 W HN -0.254 nan 8.180 nan 0.000 0.694 291 V N 2.536 122.600 119.914 0.250 0.000 2.318 291 V HA 0.467 4.586 4.120 -0.001 0.000 0.271 291 V C 0.924 177.206 176.094 0.314 0.000 1.030 291 V CA -0.658 61.849 62.300 0.345 0.000 0.844 291 V CB 0.352 32.380 31.823 0.341 0.000 1.015 291 V HN 0.121 nan 8.190 nan 0.000 0.460 292 G N 3.144 112.165 108.800 0.368 0.000 2.442 292 G HA2 0.410 4.370 3.960 -0.001 0.000 0.249 292 G HA3 0.410 4.370 3.960 -0.001 0.000 0.249 292 G C 1.114 176.214 174.900 0.334 0.000 1.263 292 G CA 0.196 45.521 45.100 0.375 0.000 0.846 292 G HN 0.877 nan 8.290 nan 0.000 0.555 293 G N 1.950 110.883 108.800 0.221 0.000 2.529 293 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.219 293 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.219 293 G C 1.723 176.663 174.900 0.066 0.000 1.177 293 G CA 1.035 46.220 45.100 0.140 0.000 0.773 293 G HN 0.792 nan 8.290 nan 0.000 0.573 294 R N -0.588 119.908 120.500 -0.006 0.000 2.316 294 R HA 0.160 4.499 4.340 -0.001 0.000 0.202 294 R C 0.821 176.929 176.300 -0.319 0.000 1.029 294 R CA 0.763 56.745 56.100 -0.195 0.000 1.018 294 R CB -0.347 29.729 30.300 -0.373 0.000 0.888 294 R HN 0.408 nan 8.270 nan 0.000 0.471 295 F N 0.933 120.897 119.950 0.024 0.000 2.698 295 F HA 0.213 4.739 4.527 -0.001 0.000 0.304 295 F C 1.604 177.453 175.800 0.081 0.000 1.108 295 F CA -0.282 57.700 58.000 -0.029 0.000 1.263 295 F CB 1.057 39.896 39.000 -0.268 0.000 1.013 295 F HN 0.074 nan 8.300 nan 0.000 0.532 296 S N -1.433 114.377 115.700 0.185 0.000 2.548 296 S HA -0.036 4.433 4.470 -0.001 0.000 0.215 296 S C 1.951 176.562 174.600 0.019 0.000 0.976 296 S CA 0.660 58.917 58.200 0.095 0.000 0.908 296 S CB -0.349 62.838 63.200 -0.021 0.000 0.781 296 S HN 0.191 nan 8.310 nan 0.000 0.519 297 V N 3.539 123.476 119.914 0.039 0.000 2.469 297 V HA -0.150 3.970 4.120 -0.001 0.000 0.251 297 V C 2.610 178.761 176.094 0.095 0.000 1.064 297 V CA 2.471 64.777 62.300 0.009 0.000 1.066 297 V CB -1.130 30.670 31.823 -0.038 0.000 0.667 297 V HN 0.899 nan 8.190 nan 0.000 0.461 298 T N -1.961 112.719 114.554 0.209 0.000 3.148 298 T HA 0.111 4.460 4.350 -0.001 0.000 0.253 298 T C 0.913 175.739 174.700 0.209 0.000 1.134 298 T CA 0.565 62.823 62.100 0.263 0.000 1.051 298 T CB -0.344 68.718 68.868 0.323 0.000 0.959 298 T HN 0.703 nan 8.240 nan 0.000 0.525 299 S N 1.293 117.076 115.700 0.139 0.000 2.690 299 S HA 0.394 4.863 4.470 -0.001 0.000 0.285 299 S C 1.755 176.346 174.600 -0.015 0.000 1.135 299 S CA -0.065 58.201 58.200 0.111 0.000 1.020 299 S CB 1.058 64.291 63.200 0.055 0.000 1.159 299 S HN 0.359 nan 8.310 nan 0.000 0.534 300 S N 0.071 115.732 115.700 -0.065 0.000 2.420 300 S HA -0.137 4.333 4.470 -0.001 0.000 0.237 300 S C 1.817 176.274 174.600 -0.239 0.000 1.023 300 S CA 1.218 59.345 58.200 -0.122 0.000 0.991 300 S CB -1.332 61.831 63.200 -0.061 0.000 0.792 300 S HN 0.596 nan 8.310 nan 0.000 0.488 301 V N 2.117 121.804 119.914 -0.378 0.000 2.250 301 V HA -0.213 3.906 4.120 -0.001 0.000 0.253 301 V C 2.730 178.694 176.094 -0.217 0.000 1.065 301 V CA 2.274 64.344 62.300 -0.384 0.000 1.039 301 V CB -1.484 30.042 31.823 -0.496 0.000 0.647 301 V HN 0.704 nan 8.190 nan 0.000 0.446 302 G N -1.347 107.354 108.800 -0.165 0.000 2.651 302 G HA2 0.013 3.972 3.960 -0.001 0.000 0.207 302 G HA3 0.013 3.972 3.960 -0.001 0.000 0.207 302 G C 1.339 176.159 174.900 -0.134 0.000 1.131 302 G CA 0.278 45.298 45.100 -0.132 0.000 0.816 302 G HN 0.336 nan 8.290 nan 0.000 0.534 303 I N 1.104 121.620 120.570 -0.090 0.000 2.286 303 I HA -0.073 4.096 4.170 -0.001 0.000 0.248 303 I C 2.545 178.598 176.117 -0.107 0.000 1.115 303 I CA 0.719 61.989 61.300 -0.051 0.000 1.392 303 I CB -1.051 36.986 38.000 0.062 0.000 1.065 303 I HN 0.156 nan 8.210 nan 0.000 0.418 304 L N 2.642 123.743 121.223 -0.203 0.000 1.973 304 L HA -0.048 4.291 4.340 -0.001 0.000 0.208 304 L C -0.427 176.258 176.870 -0.308 0.000 1.073 304 L CA 2.308 56.948 54.840 -0.333 0.000 0.746 304 L CB -2.001 39.699 42.059 -0.599 0.000 0.891 304 L HN 0.063 nan 8.230 nan 0.000 0.433 305 P HA -0.165 nan 4.420 nan 0.000 0.218 305 P C 2.062 179.143 177.300 -0.365 0.000 1.149 305 P CA 1.657 64.559 63.100 -0.329 0.000 0.817 305 P CB -0.037 31.498 31.700 -0.276 0.000 0.785 306 L N -0.692 120.361 121.223 -0.282 0.000 2.156 306 L HA -0.050 4.289 4.340 -0.001 0.000 0.208 306 L C 2.590 179.287 176.870 -0.288 0.000 1.095 306 L CA 1.175 55.833 54.840 -0.304 0.000 0.770 306 L CB -0.934 41.040 42.059 -0.142 0.000 0.914 306 L HN -0.055 nan 8.230 nan 0.000 0.439 307 S N -0.024 115.560 115.700 -0.194 0.000 2.406 307 S HA -0.032 4.437 4.470 -0.001 0.000 0.228 307 S C 1.965 176.437 174.600 -0.213 0.000 1.020 307 S CA 0.917 59.047 58.200 -0.117 0.000 0.965 307 S CB -0.130 63.094 63.200 0.041 0.000 0.798 307 S HN 0.267 nan 8.310 nan 0.000 0.488 308 I N 1.670 122.033 120.570 -0.345 0.000 2.202 308 I HA -0.197 3.972 4.170 -0.001 0.000 0.242 308 I C 2.690 178.371 176.117 -0.726 0.000 1.091 308 I CA 1.194 62.172 61.300 -0.537 0.000 1.368 308 I CB -0.436 37.188 38.000 -0.626 0.000 1.058 308 I HN 0.265 nan 8.210 nan 0.000 0.410 309 A N 0.365 122.753 122.820 -0.720 0.000 1.898 309 A HA -0.139 4.180 4.320 -0.001 0.000 0.216 309 A C 1.734 178.943 177.584 -0.625 0.000 1.181 309 A CA 1.721 53.342 52.037 -0.694 0.000 0.620 309 A CB -0.495 17.894 19.000 -1.018 0.000 0.819 309 A HN 0.435 nan 8.150 nan 0.000 0.442 310 F N -1.522 118.184 119.950 -0.408 0.000 2.746 310 F HA 0.466 4.993 4.527 -0.001 0.000 0.313 310 F C 1.154 176.727 175.800 -0.379 0.000 1.095 310 F CA -0.203 57.372 58.000 -0.710 0.000 1.224 310 F CB -0.213 38.499 39.000 -0.480 0.000 1.060 310 F HN 0.400 nan 8.300 nan 0.000 0.584 311 G N 0.141 108.902 108.800 -0.065 0.000 2.785 311 G HA2 -0.289 3.670 3.960 -0.001 0.000 0.686 311 G HA3 -0.289 3.670 3.960 -0.001 0.000 0.686 311 G C 0.023 174.913 174.900 -0.017 0.000 1.155 311 G CA -0.336 44.769 45.100 0.008 0.000 0.760 311 G HN 0.162 nan 8.290 nan 0.000 0.624 312 Y N 1.509 121.779 120.300 -0.049 0.000 2.165 312 Y HA -0.141 4.408 4.550 -0.001 0.000 0.286 312 Y C 2.798 178.681 175.900 -0.029 0.000 1.155 312 Y CA 2.748 60.830 58.100 -0.030 0.000 1.164 312 Y CB -0.069 38.395 38.460 0.006 0.000 0.978 312 Y HN 0.669 nan 8.280 nan 0.000 0.513 313 K N -0.142 120.238 120.400 -0.033 0.000 2.074 313 K HA -0.227 4.092 4.320 -0.001 0.000 0.209 313 K C 1.796 178.265 176.600 -0.219 0.000 1.048 313 K CA 1.559 57.794 56.287 -0.085 0.000 0.926 313 K CB -0.241 32.263 32.500 0.007 0.000 0.713 313 K HN 0.401 nan 8.250 nan 0.000 0.444 314 N N 0.329 118.821 118.700 -0.345 0.000 2.142 314 N HA -0.107 4.633 4.740 -0.001 0.000 0.186 314 N C 1.669 176.843 175.510 -0.561 0.000 1.023 314 N CA 1.136 53.748 53.050 -0.731 0.000 0.852 314 N CB -0.096 37.528 38.487 -1.438 0.000 0.998 314 N HN 0.127 nan 8.380 nan 0.000 0.424 315 M N 0.452 119.814 119.600 -0.398 0.000 2.296 315 M HA -0.026 4.453 4.480 -0.001 0.000 0.265 315 M C 1.967 178.167 176.300 -0.167 0.000 1.064 315 M CA 0.840 56.023 55.300 -0.196 0.000 1.109 315 M CB -0.898 31.587 32.600 -0.191 0.000 1.396 315 M HN 0.008 nan 8.290 nan 0.000 0.430 316 R N 1.102 121.363 120.500 -0.398 0.000 2.092 316 R HA -0.043 4.297 4.340 -0.001 0.000 0.231 316 R C 1.704 178.004 176.300 -0.000 0.000 1.119 316 R CA 1.402 57.347 56.100 -0.259 0.000 0.970 316 R CB -0.466 29.655 30.300 -0.298 0.000 0.864 316 R HN 0.318 nan 8.270 nan 0.000 0.440 317 N N -0.163 118.559 118.700 0.036 0.000 2.142 317 N HA -0.162 4.578 4.740 -0.001 0.000 0.186 317 N C 1.442 177.117 175.510 0.275 0.000 1.023 317 N CA 1.318 54.479 53.050 0.186 0.000 0.852 317 N CB -0.454 38.147 38.487 0.190 0.000 0.998 317 N HN 0.223 nan 8.380 nan 0.000 0.424 318 F N 1.773 121.798 119.950 0.124 0.000 2.095 318 F HA -0.076 4.450 4.527 -0.001 0.000 0.298 318 F C 2.048 177.900 175.800 0.086 0.000 1.104 318 F CA 1.132 59.204 58.000 0.121 0.000 1.232 318 F CB -0.337 38.747 39.000 0.139 0.000 0.987 318 F HN -0.063 nan 8.300 nan 0.000 0.475 319 L N 0.215 121.541 121.223 0.171 0.000 2.083 319 L HA -0.264 4.075 4.340 -0.001 0.000 0.209 319 L C 2.156 179.083 176.870 0.095 0.000 1.083 319 L CA 1.238 56.140 54.840 0.104 0.000 0.752 319 L CB -0.885 41.266 42.059 0.152 0.000 0.899 319 L HN 0.183 nan 8.230 nan 0.000 0.433 320 N N 0.430 119.220 118.700 0.150 0.000 2.166 320 N HA -0.130 4.609 4.740 -0.001 0.000 0.186 320 N C 1.862 177.491 175.510 0.197 0.000 1.019 320 N CA 1.460 54.663 53.050 0.256 0.000 0.856 320 N CB -0.705 37.984 38.487 0.336 0.000 0.993 320 N HN 0.341 nan 8.380 nan 0.000 0.426 321 G N 0.540 109.268 108.800 -0.121 0.000 2.421 321 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.216 321 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.216 321 G C 1.860 176.603 174.900 -0.263 0.000 1.171 321 G CA 1.059 45.771 45.100 -0.648 0.000 0.775 321 G HN 0.368 nan 8.290 nan 0.000 0.543 322 C N -0.243 118.928 119.300 -0.214 0.000 2.413 322 C HA -0.058 4.401 4.460 -0.001 0.000 0.276 322 C C 2.550 177.618 174.990 0.129 0.000 1.236 322 C CA 1.078 60.059 59.018 -0.062 0.000 1.735 322 C CB -1.208 26.486 27.740 -0.076 0.000 2.031 322 C HN 0.684 nan 8.230 nan 0.000 0.474 323 H N 1.204 120.325 119.070 0.085 0.000 2.321 323 H HA -0.108 4.447 4.556 -0.001 0.000 0.300 323 H C 1.731 177.194 175.328 0.225 0.000 1.087 323 H CA 2.115 58.262 56.048 0.165 0.000 1.319 323 H CB -0.414 29.438 29.762 0.149 0.000 1.379 323 H HN 0.376 nan 8.280 nan 0.000 0.501 324 D N -0.338 120.160 120.400 0.162 0.000 2.144 324 D HA -0.146 4.493 4.640 -0.001 0.000 0.199 324 D C 2.167 178.658 176.300 0.318 0.000 0.984 324 D CA 1.202 55.345 54.000 0.239 0.000 0.834 324 D CB -0.329 40.711 40.800 0.400 0.000 0.955 324 D HN 0.383 nan 8.370 nan 0.000 0.465 325 M N 0.946 120.708 119.600 0.269 0.000 2.200 325 M HA -0.096 4.383 4.480 -0.001 0.000 0.265 325 M C 0.982 177.425 176.300 0.239 0.000 1.066 325 M CA 1.399 56.831 55.300 0.221 0.000 1.127 325 M CB -0.233 32.488 32.600 0.202 0.000 1.379 325 M HN -0.237 nan 8.290 nan 0.000 0.420 326 D N 0.293 120.854 120.400 0.268 0.000 2.104 326 D HA -0.182 4.458 4.640 -0.001 0.000 0.194 326 D C 1.946 178.439 176.300 0.322 0.000 0.994 326 D CA 1.403 55.669 54.000 0.443 0.000 0.830 326 D CB -0.341 40.728 40.800 0.448 0.000 0.959 326 D HN 0.440 nan 8.370 nan 0.000 0.452 327 E N -0.074 120.200 120.200 0.124 0.000 2.077 327 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 327 E C 2.055 178.718 176.600 0.106 0.000 0.989 327 E CA 0.865 57.319 56.400 0.090 0.000 0.800 327 E CB -0.382 29.353 29.700 0.059 0.000 0.746 327 E HN 0.519 nan 8.360 nan 0.000 0.452 328 H N 0.148 119.217 119.070 -0.001 0.000 2.321 328 H HA -0.149 4.406 4.556 -0.001 0.000 0.300 328 H C 1.896 177.190 175.328 -0.056 0.000 1.087 328 H CA 1.768 57.728 56.048 -0.146 0.000 1.319 328 H CB -0.410 28.954 29.762 -0.663 0.000 1.379 328 H HN 0.106 nan 8.280 nan 0.000 0.501 329 F N 0.481 120.327 119.950 -0.172 0.000 2.126 329 F HA -0.158 4.368 4.527 -0.001 0.000 0.299 329 F C 2.157 177.763 175.800 -0.323 0.000 1.096 329 F CA 1.491 59.389 58.000 -0.170 0.000 1.255 329 F CB -0.890 38.159 39.000 0.083 0.000 0.997 329 F HN 0.345 nan 8.300 nan 0.000 0.479 330 L N -0.202 120.642 121.223 -0.633 0.000 2.044 330 L HA -0.161 4.179 4.340 -0.001 0.000 0.205 330 L C 2.477 178.858 176.870 -0.814 0.000 1.075 330 L CA 2.002 56.184 54.840 -1.098 0.000 0.747 330 L CB -1.052 40.050 42.059 -1.594 0.000 0.903 330 L HN 0.182 nan 8.230 nan 0.000 0.435 331 H N -0.414 118.438 119.070 -0.363 0.000 2.486 331 H HA 0.365 4.920 4.556 -0.001 0.000 0.287 331 H C 1.047 176.230 175.328 -0.242 0.000 1.010 331 H CA 0.436 56.329 56.048 -0.258 0.000 1.324 331 H CB -0.392 29.272 29.762 -0.163 0.000 1.446 331 H HN 0.385 nan 8.280 nan 0.000 0.537 332 A N 2.326 125.009 122.820 -0.228 0.000 2.498 332 A HA -0.002 4.318 4.320 -0.001 0.000 0.239 332 A C -0.057 177.414 177.584 -0.188 0.000 1.068 332 A CA -0.291 51.597 52.037 -0.249 0.000 0.766 332 A CB 0.078 18.747 19.000 -0.550 0.000 1.003 332 A HN 0.155 nan 8.150 nan 0.000 0.497 333 D N 1.731 122.062 120.400 -0.115 0.000 2.443 333 D HA 0.076 4.715 4.640 -0.001 0.000 0.239 333 D C 1.533 177.778 176.300 -0.093 0.000 1.136 333 D CA 0.049 53.993 54.000 -0.093 0.000 0.879 333 D CB 0.619 41.381 40.800 -0.063 0.000 1.195 333 D HN 0.477 nan 8.370 nan 0.000 0.443 334 L N 2.097 123.270 121.223 -0.083 0.000 2.051 334 L HA -0.291 4.049 4.340 -0.001 0.000 0.214 334 L C 2.386 179.229 176.870 -0.045 0.000 1.076 334 L CA 1.753 56.556 54.840 -0.061 0.000 0.758 334 L CB -0.592 41.434 42.059 -0.054 0.000 0.890 334 L HN 0.512 nan 8.230 nan 0.000 0.433 335 K N -0.780 119.590 120.400 -0.049 0.000 2.362 335 K HA -0.115 4.205 4.320 -0.001 0.000 0.200 335 K C 1.014 177.594 176.600 -0.033 0.000 1.046 335 K CA 1.140 57.399 56.287 -0.047 0.000 0.952 335 K CB 0.031 32.500 32.500 -0.052 0.000 0.753 335 K HN 0.244 nan 8.250 nan 0.000 0.466 336 E N 0.703 120.888 120.200 -0.026 0.000 2.603 336 E HA 0.076 4.425 4.350 -0.001 0.000 0.211 336 E C -0.665 175.958 176.600 0.038 0.000 0.995 336 E CA -0.098 56.305 56.400 0.005 0.000 0.990 336 E CB 0.347 30.051 29.700 0.007 0.000 1.036 336 E HN 0.229 nan 8.360 nan 0.000 0.475 337 N N 1.776 120.471 118.700 -0.008 0.000 2.500 337 N HA 0.176 4.915 4.740 -0.001 0.000 0.236 337 N C 1.072 176.663 175.510 0.134 0.000 1.022 337 N CA -0.026 53.004 53.050 -0.034 0.000 0.935 337 N CB 0.468 38.901 38.487 -0.090 0.000 1.147 337 N HN 0.018 nan 8.380 nan 0.000 0.512 338 I N 4.760 125.534 120.570 0.340 0.000 2.091 338 I HA -0.211 3.959 4.170 -0.001 0.000 0.239 338 I C -0.694 175.501 176.117 0.130 0.000 1.061 338 I CA 1.271 62.693 61.300 0.202 0.000 1.317 338 I CB -0.901 37.190 38.000 0.151 0.000 1.031 338 I HN 0.457 nan 8.210 nan 0.000 0.401 339 P HA -0.093 nan 4.420 nan 0.000 0.218 339 P C 1.936 179.258 177.300 0.038 0.000 1.149 339 P CA 1.093 64.178 63.100 -0.025 0.000 0.817 339 P CB 0.004 31.563 31.700 -0.236 0.000 0.785 340 V N -0.316 119.684 119.914 0.143 0.000 2.307 340 V HA -0.205 3.914 4.120 -0.001 0.000 0.245 340 V C 2.485 178.640 176.094 0.102 0.000 1.045 340 V CA 1.580 63.975 62.300 0.160 0.000 1.024 340 V CB -1.211 30.708 31.823 0.161 0.000 0.651 340 V HN 0.047 nan 8.190 nan 0.000 0.449 341 L N -0.878 120.391 121.223 0.077 0.000 2.083 341 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 341 L C 2.412 179.335 176.870 0.088 0.000 1.083 341 L CA 1.065 55.940 54.840 0.059 0.000 0.752 341 L CB -0.524 41.561 42.059 0.042 0.000 0.899 341 L HN 0.332 nan 8.230 nan 0.000 0.433 342 L N 0.055 121.323 121.223 0.076 0.000 2.027 342 L HA -0.104 4.235 4.340 -0.001 0.000 0.206 342 L C 2.652 179.580 176.870 0.096 0.000 1.074 342 L CA 1.978 56.857 54.840 0.065 0.000 0.745 342 L CB -0.721 41.328 42.059 -0.018 0.000 0.898 342 L HN 0.137 nan 8.230 nan 0.000 0.433 343 A N -0.707 122.169 122.820 0.092 0.000 1.902 343 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 343 A C 2.270 179.982 177.584 0.213 0.000 1.181 343 A CA 1.921 54.042 52.037 0.140 0.000 0.623 343 A CB -0.863 18.212 19.000 0.126 0.000 0.818 343 A HN 0.480 nan 8.150 nan 0.000 0.443 344 L N -0.805 120.534 121.223 0.194 0.000 2.083 344 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 344 L C 2.798 179.876 176.870 0.346 0.000 1.083 344 L CA 1.716 56.706 54.840 0.250 0.000 0.752 344 L CB -0.794 41.346 42.059 0.136 0.000 0.899 344 L HN 0.352 nan 8.230 nan 0.000 0.433 345 T N -1.436 113.291 114.554 0.289 0.000 2.708 345 T HA -0.216 4.133 4.350 -0.001 0.000 0.266 345 T C 2.147 177.059 174.700 0.353 0.000 1.037 345 T CA 1.728 64.049 62.100 0.368 0.000 1.146 345 T CB -0.184 68.858 68.868 0.290 0.000 0.865 345 T HN 0.282 nan 8.240 nan 0.000 0.435 346 S N 0.542 116.408 115.700 0.277 0.000 2.359 346 S HA -0.125 4.344 4.470 -0.001 0.000 0.224 346 S C 1.793 176.564 174.600 0.286 0.000 1.035 346 S CA 1.265 59.610 58.200 0.242 0.000 1.018 346 S CB -0.607 62.727 63.200 0.224 0.000 0.876 346 S HN 0.460 nan 8.310 nan 0.000 0.448 347 F N 1.115 121.179 119.950 0.189 0.000 2.095 347 F HA -0.106 4.420 4.527 -0.001 0.000 0.298 347 F C 2.031 177.935 175.800 0.173 0.000 1.104 347 F CA 1.937 60.021 58.000 0.139 0.000 1.232 347 F CB -0.993 38.055 39.000 0.081 0.000 0.987 347 F HN 0.409 nan 8.300 nan 0.000 0.475 348 Y N 1.537 121.929 120.300 0.154 0.000 2.114 348 Y HA -0.267 4.282 4.550 -0.001 0.000 0.284 348 Y C 2.382 178.403 175.900 0.201 0.000 1.143 348 Y CA 2.300 60.557 58.100 0.263 0.000 1.135 348 Y CB -0.932 37.766 38.460 0.396 0.000 0.980 348 Y HN 0.058 nan 8.280 nan 0.000 0.499 349 N N -0.449 118.361 118.700 0.183 0.000 2.120 349 N HA -0.193 4.546 4.740 -0.001 0.000 0.188 349 N C 2.174 177.666 175.510 -0.030 0.000 1.024 349 N CA 1.498 54.577 53.050 0.047 0.000 0.852 349 N CB -0.727 37.860 38.487 0.166 0.000 1.003 349 N HN 0.416 nan 8.380 nan 0.000 0.424 350 S N -0.078 115.614 115.700 -0.013 0.000 2.345 350 S HA -0.072 4.397 4.470 -0.001 0.000 0.219 350 S C 1.749 176.189 174.600 -0.266 0.000 1.031 350 S CA 0.812 58.978 58.200 -0.058 0.000 0.984 350 S CB -0.250 62.982 63.200 0.054 0.000 0.874 350 S HN 0.402 nan 8.310 nan 0.000 0.451 351 H N -1.137 117.547 119.070 -0.643 0.000 2.363 351 H HA 0.015 4.570 4.556 -0.001 0.000 0.301 351 H C 1.504 176.183 175.328 -1.081 0.000 1.074 351 H CA 1.647 57.092 56.048 -1.005 0.000 1.354 351 H CB -0.089 28.668 29.762 -1.675 0.000 1.397 351 H HN 0.498 nan 8.280 nan 0.000 0.516 352 F N -1.462 118.268 119.950 -0.366 0.000 2.714 352 F HA 0.093 4.619 4.527 -0.001 0.000 0.294 352 F C 1.276 176.684 175.800 -0.652 0.000 1.120 352 F CA 0.220 57.918 58.000 -0.503 0.000 1.398 352 F CB 0.104 38.731 39.000 -0.622 0.000 1.120 352 F HN -0.010 nan 8.300 nan 0.000 0.589 353 F N -0.698 118.928 119.950 -0.540 0.000 2.728 353 F HA 0.204 4.730 4.527 -0.001 0.000 0.314 353 F C 0.366 175.720 175.800 -0.743 0.000 1.094 353 F CA -0.435 57.106 58.000 -0.763 0.000 1.217 353 F CB 0.130 38.367 39.000 -1.271 0.000 1.056 353 F HN -0.194 nan 8.300 nan 0.000 0.577 354 D N -0.221 119.978 120.400 -0.335 0.000 2.870 354 D HA -0.256 4.383 4.640 -0.001 0.000 0.228 354 D C -0.947 175.351 176.300 -0.003 0.000 1.147 354 D CA 0.491 54.380 54.000 -0.185 0.000 0.757 354 D CB -1.353 39.361 40.800 -0.142 0.000 1.091 354 D HN 0.117 nan 8.370 nan 0.000 0.429 355 Y N 0.385 120.680 120.300 -0.008 0.000 2.627 355 Y HA 0.260 4.810 4.550 -0.001 0.000 0.347 355 Y C 1.504 177.382 175.900 -0.037 0.000 1.099 355 Y CA -0.695 57.394 58.100 -0.019 0.000 1.408 355 Y CB 0.433 38.878 38.460 -0.025 0.000 1.247 355 Y HN -0.034 nan 8.280 nan 0.000 0.506 356 K N 1.931 122.399 120.400 0.113 0.000 2.504 356 K HA 0.128 4.448 4.320 -0.001 0.000 0.199 356 K C -0.125 176.487 176.600 0.019 0.000 1.028 356 K CA 0.113 56.426 56.287 0.045 0.000 1.164 356 K CB 0.101 32.613 32.500 0.019 0.000 0.877 356 K HN 0.510 nan 8.250 nan 0.000 0.508 357 N N 0.338 119.042 118.700 0.008 0.000 2.357 357 N HA 0.356 5.095 4.740 -0.001 0.000 0.284 357 N C -1.390 174.048 175.510 -0.120 0.000 1.236 357 N CA -0.555 52.481 53.050 -0.023 0.000 0.774 357 N CB 2.808 41.319 38.487 0.042 0.000 1.534 357 N HN -0.274 nan 8.380 nan 0.000 0.478 358 V N 0.652 120.405 119.914 -0.268 0.000 2.623 358 V HA 0.584 4.703 4.120 -0.001 0.000 0.304 358 V C -0.574 175.255 176.094 -0.442 0.000 1.054 358 V CA -0.874 61.156 62.300 -0.449 0.000 0.882 358 V CB 1.572 32.833 31.823 -0.937 0.000 1.002 358 V HN 0.826 nan 8.190 nan 0.000 0.424 359 A N 6.184 128.739 122.820 -0.441 0.000 2.260 359 A HA 0.806 5.125 4.320 -0.001 0.000 0.314 359 A C -0.541 176.840 177.584 -0.338 0.000 1.257 359 A CA -0.415 51.194 52.037 -0.714 0.000 0.871 359 A CB 0.322 18.924 19.000 -0.663 0.000 1.166 359 A HN 0.619 nan 8.150 nan 0.000 0.522 360 I N 4.232 124.640 120.570 -0.269 0.000 2.306 360 I HA 0.228 4.398 4.170 -0.001 0.000 0.288 360 I C -0.562 175.566 176.117 0.019 0.000 1.036 360 I CA -0.053 61.216 61.300 -0.052 0.000 1.221 360 I CB 0.554 38.516 38.000 -0.064 0.000 1.385 360 I HN 0.523 nan 8.210 nan 0.000 0.472 361 L N 8.779 130.070 121.223 0.114 0.000 2.445 361 L HA 0.352 4.692 4.340 -0.001 0.000 0.252 361 L C -2.382 174.658 176.870 0.283 0.000 1.105 361 L CA -1.552 53.403 54.840 0.193 0.000 0.943 361 L CB 1.222 43.437 42.059 0.259 0.000 1.277 361 L HN 0.289 nan 8.230 nan 0.000 0.465 362 P HA 0.049 nan 4.420 nan 0.000 0.282 362 P C -0.861 176.589 177.300 0.251 0.000 1.262 362 P CA -0.129 63.135 63.100 0.273 0.000 0.773 362 P CB 0.600 32.435 31.700 0.226 0.000 0.879 363 Y N 3.683 124.118 120.300 0.224 0.000 2.735 363 Y HA 0.359 4.908 4.550 -0.001 0.000 0.354 363 Y C -0.216 175.876 175.900 0.321 0.000 1.288 363 Y CA 0.234 58.455 58.100 0.202 0.000 1.836 363 Y CB -0.565 37.991 38.460 0.161 0.000 1.920 363 Y HN 0.239 nan 8.280 nan 0.000 0.438 364 F N 0.568 120.579 119.950 0.103 0.000 3.102 364 F HA 0.132 4.658 4.527 -0.001 0.000 0.359 364 F C 0.706 176.521 175.800 0.026 0.000 1.243 364 F CA -1.205 56.850 58.000 0.091 0.000 1.215 364 F CB 0.969 40.071 39.000 0.171 0.000 1.549 364 F HN 0.011 nan 8.300 nan 0.000 0.657 365 Q N 2.139 121.854 119.800 -0.141 0.000 2.234 365 Q HA -0.134 4.205 4.340 -0.001 0.000 0.206 365 Q C 1.257 177.239 176.000 -0.029 0.000 0.980 365 Q CA 2.143 57.893 55.803 -0.088 0.000 0.869 365 Q CB -0.074 28.585 28.738 -0.132 0.000 0.912 365 Q HN 0.592 nan 8.270 nan 0.000 0.436 366 N N -0.468 118.180 118.700 -0.086 0.000 2.453 366 N HA -0.074 4.666 4.740 -0.001 0.000 0.183 366 N C 0.484 176.121 175.510 0.211 0.000 1.041 366 N CA 0.629 53.736 53.050 0.095 0.000 0.900 366 N CB 0.040 38.615 38.487 0.146 0.000 0.961 366 N HN 0.342 nan 8.380 nan 0.000 0.443 367 L N 1.708 123.093 121.223 0.271 0.000 2.645 367 L HA 0.167 4.506 4.340 -0.001 0.000 0.234 367 L C 1.836 178.854 176.870 0.247 0.000 1.165 367 L CA -0.108 54.897 54.840 0.275 0.000 0.944 367 L CB -0.355 41.842 42.059 0.230 0.000 1.149 367 L HN 0.157 nan 8.230 nan 0.000 0.446 368 L N -2.136 119.198 121.223 0.185 0.000 2.261 368 L HA -0.129 4.210 4.340 -0.001 0.000 0.216 368 L C 1.698 178.662 176.870 0.157 0.000 1.114 368 L CA 1.421 56.349 54.840 0.148 0.000 0.777 368 L CB -0.328 41.797 42.059 0.109 0.000 0.910 368 L HN 0.135 nan 8.230 nan 0.000 0.440 369 K N -0.623 119.899 120.400 0.203 0.000 2.373 369 K HA 0.107 4.426 4.320 -0.001 0.000 0.202 369 K C 1.330 178.046 176.600 0.194 0.000 1.025 369 K CA -0.000 56.392 56.287 0.176 0.000 1.115 369 K CB 0.094 32.691 32.500 0.162 0.000 0.858 369 K HN 0.268 nan 8.250 nan 0.000 0.525 370 F N 2.124 122.077 119.950 0.006 0.000 2.084 370 F HA -0.175 4.351 4.527 -0.001 0.000 0.296 370 F C 2.465 178.088 175.800 -0.295 0.000 1.111 370 F CA 1.474 59.282 58.000 -0.321 0.000 1.224 370 F CB -0.501 38.276 39.000 -0.372 0.000 0.991 370 F HN 0.007 nan 8.300 nan 0.000 0.471 371 S N 0.180 115.731 115.700 -0.248 0.000 2.374 371 S HA -0.253 4.216 4.470 -0.001 0.000 0.227 371 S C 2.319 176.763 174.600 -0.261 0.000 1.037 371 S CA 1.563 59.586 58.200 -0.295 0.000 1.024 371 S CB -0.950 62.199 63.200 -0.085 0.000 0.861 371 S HN 0.548 nan 8.310 nan 0.000 0.456 372 A N 0.368 123.101 122.820 -0.145 0.000 1.933 372 A HA -0.136 4.184 4.320 -0.001 0.000 0.218 372 A C 1.976 179.445 177.584 -0.192 0.000 1.175 372 A CA 2.199 54.165 52.037 -0.120 0.000 0.628 372 A CB -1.254 17.715 19.000 -0.050 0.000 0.814 372 A HN 0.823 nan 8.150 nan 0.000 0.444 373 H N -0.014 118.853 119.070 -0.337 0.000 2.326 373 H HA -0.047 4.508 4.556 -0.001 0.000 0.301 373 H C 1.728 176.762 175.328 -0.490 0.000 1.081 373 H CA 1.719 57.537 56.048 -0.384 0.000 1.334 373 H CB -0.183 29.388 29.762 -0.319 0.000 1.385 373 H HN 0.291 nan 8.280 nan 0.000 0.504 374 I N 1.042 121.090 120.570 -0.870 0.000 2.264 374 I HA -0.271 3.898 4.170 -0.001 0.000 0.248 374 I C 2.336 178.022 176.117 -0.718 0.000 1.111 374 I CA 1.282 62.026 61.300 -0.927 0.000 1.382 374 I CB -1.319 36.041 38.000 -1.067 0.000 1.060 374 I HN 0.482 nan 8.210 nan 0.000 0.418 375 Q N 0.045 119.556 119.800 -0.482 0.000 2.030 375 Q HA -0.280 4.060 4.340 -0.001 0.000 0.204 375 Q C 2.309 178.104 176.000 -0.342 0.000 0.986 375 Q CA 2.093 57.705 55.803 -0.318 0.000 0.843 375 Q CB -0.145 28.497 28.738 -0.159 0.000 0.904 375 Q HN 0.582 nan 8.270 nan 0.000 0.420 376 Q N 0.234 119.826 119.800 -0.346 0.000 2.016 376 Q HA -0.192 4.148 4.340 -0.001 0.000 0.200 376 Q C 2.190 177.947 176.000 -0.406 0.000 0.978 376 Q CA 1.078 56.697 55.803 -0.306 0.000 0.833 376 Q CB -0.140 28.450 28.738 -0.246 0.000 0.895 376 Q HN 0.315 nan 8.270 nan 0.000 0.427 377 L N 0.670 121.536 121.223 -0.595 0.000 2.021 377 L HA -0.222 4.118 4.340 -0.001 0.000 0.215 377 L C 2.132 178.688 176.870 -0.523 0.000 1.074 377 L CA 2.338 56.778 54.840 -0.666 0.000 0.760 377 L CB -0.701 40.851 42.059 -0.846 0.000 0.889 377 L HN 0.160 nan 8.230 nan 0.000 0.433 378 S N -0.909 114.449 115.700 -0.569 0.000 2.336 378 S HA -0.074 4.395 4.470 -0.001 0.000 0.216 378 S C 1.838 176.246 174.600 -0.321 0.000 1.032 378 S CA 1.627 59.510 58.200 -0.529 0.000 0.973 378 S CB -0.292 62.226 63.200 -1.136 0.000 0.888 378 S HN 0.436 nan 8.310 nan 0.000 0.455 379 M N 1.230 120.658 119.600 -0.288 0.000 2.132 379 M HA -0.080 4.399 4.480 -0.001 0.000 0.263 379 M C 2.361 178.594 176.300 -0.111 0.000 1.065 379 M CA 1.354 56.576 55.300 -0.130 0.000 1.122 379 M CB -0.341 32.212 32.600 -0.078 0.000 1.365 379 M HN 0.327 nan 8.290 nan 0.000 0.411 380 E N -0.181 119.929 120.200 -0.150 0.000 2.158 380 E HA -0.102 4.248 4.350 -0.001 0.000 0.191 380 E C 1.828 178.362 176.600 -0.109 0.000 0.982 380 E CA 1.019 57.350 56.400 -0.116 0.000 0.823 380 E CB 0.273 29.899 29.700 -0.123 0.000 0.766 380 E HN 0.377 nan 8.360 nan 0.000 0.468 381 S N 0.904 116.514 115.700 -0.149 0.000 2.345 381 S HA -0.031 4.439 4.470 -0.001 0.000 0.219 381 S C 1.366 175.891 174.600 -0.125 0.000 1.031 381 S CA 0.953 59.071 58.200 -0.136 0.000 0.984 381 S CB -0.038 63.070 63.200 -0.153 0.000 0.874 381 S HN 0.278 nan 8.310 nan 0.000 0.451 382 N N 0.756 119.397 118.700 -0.097 0.000 2.236 382 N HA 0.164 4.903 4.740 -0.001 0.000 0.196 382 N C 0.555 176.067 175.510 0.003 0.000 1.114 382 N CA 0.076 53.101 53.050 -0.042 0.000 0.859 382 N CB 0.274 38.756 38.487 -0.009 0.000 0.982 382 N HN 0.314 nan 8.380 nan 0.000 0.493 383 G N 1.108 109.901 108.800 -0.012 0.000 3.213 383 G HA2 0.136 4.095 3.960 -0.001 0.000 0.263 383 G HA3 0.136 4.095 3.960 -0.001 0.000 0.263 383 G C 0.225 175.127 174.900 0.002 0.000 0.829 383 G CA -0.123 44.980 45.100 0.005 0.000 1.983 383 G HN -0.117 nan 8.290 nan 0.000 0.616 384 K N -0.027 120.375 120.400 0.005 0.000 2.352 384 K HA 0.572 4.891 4.320 -0.001 0.000 0.240 384 K C 0.273 176.852 176.600 -0.036 0.000 1.017 384 K CA -0.905 55.382 56.287 0.001 0.000 0.851 384 K CB 1.879 34.386 32.500 0.012 0.000 1.261 384 K HN 0.217 nan 8.250 nan 0.000 0.451 385 S N -1.583 114.083 115.700 -0.057 0.000 3.082 385 S HA 0.272 4.741 4.470 -0.001 0.000 0.253 385 S C -0.422 174.081 174.600 -0.162 0.000 0.961 385 S CA -0.511 57.605 58.200 -0.139 0.000 1.129 385 S CB 0.084 63.206 63.200 -0.130 0.000 1.083 385 S HN 0.160 nan 8.310 nan 0.000 0.605 386 V N 2.933 122.791 119.914 -0.092 0.000 2.668 386 V HA 0.458 4.577 4.120 -0.001 0.000 0.304 386 V C -0.768 175.319 176.094 -0.012 0.000 1.071 386 V CA -0.880 61.382 62.300 -0.063 0.000 0.894 386 V CB 1.909 33.717 31.823 -0.025 0.000 1.008 386 V HN 0.551 nan 8.190 nan 0.000 0.425 387 D N 4.056 124.458 120.400 0.003 0.000 2.414 387 D HA 0.186 4.825 4.640 -0.001 0.000 0.251 387 D C 0.937 177.293 176.300 0.094 0.000 1.252 387 D CA -0.551 53.497 54.000 0.080 0.000 0.999 387 D CB 0.827 41.711 40.800 0.140 0.000 1.093 387 D HN 0.360 nan 8.370 nan 0.000 0.515 388 R N -0.952 119.623 120.500 0.126 0.000 2.328 388 R HA 0.007 4.347 4.340 -0.001 0.000 0.207 388 R C 0.531 176.893 176.300 0.102 0.000 1.056 388 R CA 0.734 56.913 56.100 0.131 0.000 1.016 388 R CB -0.513 29.889 30.300 0.170 0.000 0.872 388 R HN 0.509 nan 8.270 nan 0.000 0.471 389 N N 0.688 119.439 118.700 0.086 0.000 2.235 389 N HA 0.057 4.796 4.740 -0.001 0.000 0.209 389 N C -0.555 174.984 175.510 0.049 0.000 1.122 389 N CA -0.209 52.880 53.050 0.064 0.000 0.845 389 N CB 0.530 39.054 38.487 0.062 0.000 1.004 389 N HN 0.066 nan 8.380 nan 0.000 0.499 390 N N 0.353 119.081 118.700 0.048 0.000 2.800 390 N HA -0.158 4.582 4.740 -0.001 0.000 0.250 390 N C -1.043 174.473 175.510 0.010 0.000 1.078 390 N CA 0.893 53.959 53.050 0.026 0.000 0.804 390 N CB -0.940 37.556 38.487 0.016 0.000 1.135 390 N HN 0.386 nan 8.380 nan 0.000 0.565 391 Q N 0.264 120.073 119.800 0.015 0.000 2.257 391 Q HA 0.444 4.783 4.340 -0.001 0.000 0.255 391 Q C -2.262 173.711 176.000 -0.044 0.000 0.920 391 Q CA -1.689 54.114 55.803 0.001 0.000 0.927 391 Q CB 0.886 29.640 28.738 0.026 0.000 1.229 391 Q HN 0.100 nan 8.270 nan 0.000 0.433 392 P HA 0.048 nan 4.420 nan 0.000 0.267 392 P C -0.579 176.544 177.300 -0.294 0.000 1.205 392 P CA -0.049 62.951 63.100 -0.167 0.000 0.765 392 P CB 0.337 31.963 31.700 -0.123 0.000 0.828 393 I N -0.546 119.747 120.570 -0.462 0.000 2.797 393 I HA 0.482 4.651 4.170 -0.001 0.000 0.307 393 I C 0.521 176.131 176.117 -0.844 0.000 1.033 393 I CA -0.229 60.715 61.300 -0.594 0.000 1.071 393 I CB 1.507 39.083 38.000 -0.707 0.000 1.255 393 I HN 0.324 nan 8.210 nan 0.000 0.445 394 H N 1.689 120.607 119.070 -0.254 0.000 2.893 394 H HA 0.201 4.756 4.556 -0.001 0.000 0.270 394 H C -0.555 174.709 175.328 -0.107 0.000 1.095 394 H CA 0.005 55.968 56.048 -0.141 0.000 1.186 394 H CB -0.079 29.651 29.762 -0.054 0.000 1.562 394 H HN 0.714 nan 8.280 nan 0.000 0.536 395 Y N 0.540 120.861 120.300 0.035 0.000 2.281 395 Y HA 0.275 4.824 4.550 -0.001 0.000 0.337 395 Y C 0.421 176.268 175.900 -0.089 0.000 1.304 395 Y CA -1.454 56.620 58.100 -0.043 0.000 1.465 395 Y CB 0.054 38.530 38.460 0.028 0.000 1.350 395 Y HN -0.253 nan 8.280 nan 0.000 0.575 396 N N 0.918 119.595 118.700 -0.039 0.000 2.492 396 N HA 0.119 4.858 4.740 -0.001 0.000 0.262 396 N C 0.316 175.963 175.510 0.227 0.000 1.202 396 N CA 0.525 53.543 53.050 -0.053 0.000 0.926 396 N CB 0.974 39.301 38.487 -0.266 0.000 1.078 396 N HN 0.922 nan 8.380 nan 0.000 0.454 397 T N -1.982 112.665 114.554 0.154 0.000 2.766 397 T HA 0.225 4.574 4.350 -0.001 0.000 0.245 397 T C 0.540 175.346 174.700 0.176 0.000 1.045 397 T CA -0.607 61.618 62.100 0.208 0.000 1.038 397 T CB -0.099 68.843 68.868 0.122 0.000 2.089 397 T HN 0.469 nan 8.240 nan 0.000 0.546 398 C N 2.274 121.659 119.300 0.141 0.000 2.611 398 C HA 0.294 4.754 4.460 -0.001 0.000 0.416 398 C C 0.857 175.943 174.990 0.160 0.000 1.366 398 C CA 0.021 59.137 59.018 0.163 0.000 1.761 398 C CB -1.206 26.605 27.740 0.119 0.000 2.619 398 C HN 0.793 nan 8.230 nan 0.000 0.606 399 Q N 2.340 122.261 119.800 0.203 0.000 2.535 399 Q HA 0.337 4.677 4.340 -0.001 0.000 0.228 399 Q C -0.177 175.925 176.000 0.170 0.000 1.062 399 Q CA -0.032 55.842 55.803 0.117 0.000 0.967 399 Q CB 0.417 29.145 28.738 -0.016 0.000 1.273 399 Q HN 0.663 nan 8.270 nan 0.000 0.554 400 V N 1.998 121.964 119.914 0.087 0.000 2.488 400 V HA 0.116 4.235 4.120 -0.001 0.000 0.277 400 V C -0.821 175.361 176.094 0.147 0.000 1.046 400 V CA -0.032 62.340 62.300 0.119 0.000 0.986 400 V CB -0.180 31.665 31.823 0.036 0.000 0.989 400 V HN 0.545 nan 8.190 nan 0.000 0.475 401 Y N 6.058 126.395 120.300 0.062 0.000 2.342 401 Y HA 0.692 5.242 4.550 -0.001 0.000 0.334 401 Y C 0.077 176.055 175.900 0.130 0.000 1.067 401 Y CA -0.382 57.749 58.100 0.051 0.000 1.128 401 Y CB 1.628 40.050 38.460 -0.063 0.000 1.200 401 Y HN 0.707 nan 8.280 nan 0.000 0.464 402 F N -0.312 119.627 119.950 -0.018 0.000 2.831 402 F HA 0.970 5.497 4.527 -0.001 0.000 0.318 402 F C -0.487 175.280 175.800 -0.054 0.000 1.174 402 F CA -0.982 56.976 58.000 -0.070 0.000 0.918 402 F CB 1.566 40.468 39.000 -0.163 0.000 1.364 402 F HN 0.686 nan 8.300 nan 0.000 0.475 403 G N 0.808 109.504 108.800 -0.172 0.000 2.350 403 G HA2 0.457 4.416 3.960 -0.001 0.000 0.305 403 G HA3 0.457 4.416 3.960 -0.001 0.000 0.305 403 G C -2.527 172.475 174.900 0.169 0.000 1.479 403 G CA -0.935 44.095 45.100 -0.117 0.000 0.949 403 G HN 0.736 nan 8.290 nan 0.000 0.651 404 E N -0.099 120.275 120.200 0.289 0.000 2.356 404 E HA 0.566 4.916 4.350 -0.001 0.000 0.275 404 E C -2.632 174.027 176.600 0.098 0.000 0.904 404 E CA -1.511 55.012 56.400 0.205 0.000 0.757 404 E CB 2.602 32.452 29.700 0.250 0.000 1.232 404 E HN 0.285 nan 8.360 nan 0.000 0.442 405 P HA 0.104 nan 4.420 nan 0.000 0.269 405 P C 0.048 177.206 177.300 -0.237 0.000 1.209 405 P CA -0.078 62.998 63.100 -0.040 0.000 0.776 405 P CB 0.474 32.173 31.700 -0.001 0.000 0.876 406 G N 0.495 108.959 108.800 -0.561 0.000 2.432 406 G HA2 0.197 4.157 3.960 -0.001 0.000 0.257 406 G HA3 0.197 4.157 3.960 -0.001 0.000 0.257 406 G C 0.841 175.356 174.900 -0.642 0.000 1.238 406 G CA -0.140 44.277 45.100 -1.139 0.000 0.838 406 G HN 0.457 nan 8.290 nan 0.000 0.547 407 T N 1.333 115.671 114.554 -0.359 0.000 3.129 407 T HA -0.028 4.322 4.350 -0.001 0.000 0.251 407 T C 2.060 176.567 174.700 -0.322 0.000 1.117 407 T CA 0.391 62.288 62.100 -0.338 0.000 1.034 407 T CB -0.382 68.455 68.868 -0.052 0.000 0.968 407 T HN 0.422 nan 8.240 nan 0.000 0.526 408 N N 1.561 120.125 118.700 -0.226 0.000 2.043 408 N HA -0.052 4.687 4.740 -0.001 0.000 0.193 408 N C 2.133 177.461 175.510 -0.303 0.000 1.037 408 N CA 1.638 54.595 53.050 -0.154 0.000 0.851 408 N CB -1.022 37.419 38.487 -0.077 0.000 1.027 408 N HN 0.509 nan 8.380 nan 0.000 0.422 409 G N 0.645 109.204 108.800 -0.402 0.000 2.422 409 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.218 409 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.218 409 G C 1.393 175.532 174.900 -1.268 0.000 1.146 409 G CA 0.780 45.435 45.100 -0.742 0.000 0.769 409 G HN 0.408 nan 8.290 nan 0.000 0.547 410 Q N -0.359 118.595 119.800 -1.410 0.000 2.096 410 Q HA -0.193 4.147 4.340 -0.001 0.000 0.204 410 Q C 1.934 177.280 176.000 -1.091 0.000 0.982 410 Q CA 1.337 55.960 55.803 -1.966 0.000 0.850 410 Q CB -0.159 27.765 28.738 -1.357 0.000 0.901 410 Q HN 0.597 nan 8.270 nan 0.000 0.422 411 H N -0.894 117.887 119.070 -0.482 0.000 2.539 411 H HA 0.118 4.674 4.556 -0.001 0.000 0.267 411 H C 1.536 176.746 175.328 -0.197 0.000 0.982 411 H CA 0.797 56.693 56.048 -0.254 0.000 1.146 411 H CB 0.619 30.279 29.762 -0.169 0.000 1.382 411 H HN 0.223 nan 8.280 nan 0.000 0.577 412 S N 0.432 115.991 115.700 -0.236 0.000 2.559 412 S HA -0.008 4.461 4.470 -0.001 0.000 0.212 412 S C 1.104 175.711 174.600 0.011 0.000 0.994 412 S CA 0.080 58.218 58.200 -0.103 0.000 0.903 412 S CB 0.016 63.164 63.200 -0.086 0.000 0.861 412 S HN 0.256 nan 8.310 nan 0.000 0.601 413 F N -0.801 119.249 119.950 0.167 0.000 2.729 413 F HA 0.595 5.121 4.527 -0.001 0.000 0.315 413 F C 0.817 176.825 175.800 0.348 0.000 1.102 413 F CA -0.880 57.257 58.000 0.228 0.000 1.204 413 F CB -0.521 38.624 39.000 0.241 0.000 1.052 413 F HN 0.081 nan 8.300 nan 0.000 0.551 414 Y N 1.660 121.981 120.300 0.035 0.000 2.483 414 Y HA -0.128 4.421 4.550 -0.001 0.000 0.291 414 Y C 2.603 178.677 175.900 0.289 0.000 1.143 414 Y CA 1.083 59.297 58.100 0.191 0.000 1.289 414 Y CB -0.889 37.663 38.460 0.154 0.000 0.983 414 Y HN 0.338 nan 8.280 nan 0.000 0.556 415 Q N 0.809 120.823 119.800 0.358 0.000 2.077 415 Q HA -0.224 4.116 4.340 -0.001 0.000 0.206 415 Q C 2.235 178.369 176.000 0.223 0.000 0.989 415 Q CA 2.077 58.034 55.803 0.257 0.000 0.853 415 Q CB -0.864 27.976 28.738 0.170 0.000 0.907 415 Q HN 0.601 nan 8.270 nan 0.000 0.418 416 L N -0.567 120.785 121.223 0.215 0.000 2.046 416 L HA -0.087 4.252 4.340 -0.001 0.000 0.208 416 L C 2.249 179.184 176.870 0.108 0.000 1.077 416 L CA 1.324 56.249 54.840 0.141 0.000 0.747 416 L CB -0.229 41.909 42.059 0.132 0.000 0.896 416 L HN 0.377 nan 8.230 nan 0.000 0.432 417 I N -0.938 119.714 120.570 0.137 0.000 2.361 417 I HA -0.306 3.863 4.170 -0.001 0.000 0.251 417 I C 2.263 178.297 176.117 -0.139 0.000 1.133 417 I CA 1.019 62.296 61.300 -0.039 0.000 1.413 417 I CB -0.611 37.302 38.000 -0.146 0.000 1.073 417 I HN 0.411 nan 8.210 nan 0.000 0.424 418 H N 0.149 119.272 119.070 0.088 0.000 2.431 418 H HA 0.082 4.637 4.556 -0.001 0.000 0.295 418 H C 1.514 176.865 175.328 0.039 0.000 1.038 418 H CA 1.011 57.139 56.048 0.134 0.000 1.360 418 H CB 0.436 30.386 29.762 0.313 0.000 1.433 418 H HN 0.457 nan 8.280 nan 0.000 0.536 419 Q N -0.328 119.527 119.800 0.092 0.000 2.211 419 Q HA 0.195 4.534 4.340 -0.001 0.000 0.242 419 Q C 1.073 177.065 176.000 -0.013 0.000 0.825 419 Q CA -0.025 55.762 55.803 -0.028 0.000 0.951 419 Q CB 1.963 30.621 28.738 -0.133 0.000 1.130 419 Q HN 0.197 nan 8.270 nan 0.000 0.496 420 G N 1.272 110.079 108.800 0.011 0.000 2.849 420 G HA2 0.148 4.107 3.960 -0.001 0.000 0.174 420 G HA3 0.148 4.107 3.960 -0.001 0.000 0.174 420 G C -0.447 174.444 174.900 -0.015 0.000 1.370 420 G CA -0.487 44.613 45.100 0.001 0.000 1.040 420 G HN 0.193 nan 8.290 nan 0.000 0.582 421 Q N -0.332 119.455 119.800 -0.023 0.000 2.361 421 Q HA 0.295 4.635 4.340 -0.001 0.000 0.276 421 Q C -0.560 175.384 176.000 -0.092 0.000 1.022 421 Q CA -0.454 55.325 55.803 -0.039 0.000 0.898 421 Q CB 0.973 29.691 28.738 -0.033 0.000 1.246 421 Q HN 0.098 nan 8.270 nan 0.000 0.410 422 V N 4.599 124.418 119.914 -0.158 0.000 2.479 422 V HA 0.111 4.230 4.120 -0.001 0.000 0.281 422 V C 0.105 175.931 176.094 -0.447 0.000 1.031 422 V CA 0.203 62.286 62.300 -0.362 0.000 1.038 422 V CB -0.151 31.328 31.823 -0.575 0.000 0.981 422 V HN 0.644 nan 8.190 nan 0.000 0.478 423 I N 7.618 127.979 120.570 -0.348 0.000 2.448 423 I HA 0.364 4.533 4.170 -0.001 0.000 0.281 423 I C -2.434 173.521 176.117 -0.269 0.000 1.027 423 I CA -1.852 59.304 61.300 -0.241 0.000 1.111 423 I CB 2.044 40.016 38.000 -0.047 0.000 1.236 423 I HN 0.450 nan 8.210 nan 0.000 0.452 424 P HA 0.059 nan 4.420 nan 0.000 0.264 424 P C -0.638 176.554 177.300 -0.180 0.000 1.193 424 P CA -0.109 62.872 63.100 -0.198 0.000 0.763 424 P CB 0.554 32.192 31.700 -0.103 0.000 0.810 425 V N 0.245 120.054 119.914 -0.176 0.000 2.769 425 V HA 0.588 4.707 4.120 -0.001 0.000 0.312 425 V C -0.384 175.657 176.094 -0.088 0.000 1.058 425 V CA -0.766 61.438 62.300 -0.161 0.000 0.952 425 V CB 2.211 33.910 31.823 -0.206 0.000 1.019 425 V HN 0.359 nan 8.190 nan 0.000 0.445 426 E N 3.797 123.980 120.200 -0.028 0.000 2.186 426 E HA 0.541 4.891 4.350 -0.001 0.000 0.255 426 E C -1.311 175.356 176.600 0.111 0.000 0.881 426 E CA -0.433 56.008 56.400 0.068 0.000 0.752 426 E CB 1.952 31.759 29.700 0.178 0.000 1.176 426 E HN 0.676 nan 8.360 nan 0.000 0.421 427 L N 4.571 125.840 121.223 0.077 0.000 2.295 427 L HA 0.562 4.901 4.340 -0.001 0.000 0.285 427 L C -0.267 176.800 176.870 0.327 0.000 1.035 427 L CA -0.697 54.240 54.840 0.162 0.000 0.806 427 L CB 0.801 42.765 42.059 -0.159 0.000 1.214 427 L HN 0.422 nan 8.230 nan 0.000 0.426 428 I N 2.309 123.116 120.570 0.395 0.000 2.418 428 I HA 0.652 4.821 4.170 -0.001 0.000 0.287 428 I C 0.356 176.466 176.117 -0.012 0.000 1.008 428 I CA -0.189 61.226 61.300 0.191 0.000 1.104 428 I CB 1.974 40.024 38.000 0.083 0.000 1.264 428 I HN 0.665 nan 8.210 nan 0.000 0.438 429 G N 4.818 113.300 108.800 -0.531 0.000 2.680 429 G HA2 0.825 4.785 3.960 -0.001 0.000 0.290 429 G HA3 0.825 4.785 3.960 -0.001 0.000 0.290 429 G C -1.572 172.679 174.900 -1.081 0.000 1.355 429 G CA -0.442 44.092 45.100 -0.943 0.000 0.903 429 G HN 0.300 nan 8.290 nan 0.000 0.474 430 F N -0.904 118.905 119.950 -0.234 0.000 2.588 430 F HA 0.488 5.015 4.527 -0.001 0.000 0.314 430 F C 1.208 177.042 175.800 0.057 0.000 1.069 430 F CA -0.940 57.005 58.000 -0.092 0.000 0.931 430 F CB 2.866 41.704 39.000 -0.270 0.000 1.260 430 F HN 0.398 nan 8.300 nan 0.000 0.465 431 K N -0.142 120.362 120.400 0.173 0.000 2.228 431 K HA 0.042 4.361 4.320 -0.001 0.000 0.202 431 K C -0.068 176.357 176.600 -0.292 0.000 1.051 431 K CA 0.861 57.128 56.287 -0.032 0.000 0.960 431 K CB 0.016 32.431 32.500 -0.142 0.000 0.743 431 K HN 0.450 nan 8.250 nan 0.000 0.458 432 H N -1.099 118.003 119.070 0.053 0.000 2.747 432 H HA 0.196 4.751 4.556 -0.001 0.000 0.371 432 H C -0.691 174.437 175.328 -0.332 0.000 1.161 432 H CA -0.618 55.323 56.048 -0.178 0.000 1.167 432 H CB 2.063 31.816 29.762 -0.014 0.000 1.732 432 H HN -0.113 nan 8.280 nan 0.000 0.544 433 S N -0.295 115.191 115.700 -0.357 0.000 2.652 433 S HA 0.111 4.581 4.470 -0.001 0.000 0.270 433 S C 0.822 175.507 174.600 0.140 0.000 1.243 433 S CA -0.341 57.762 58.200 -0.162 0.000 0.999 433 S CB 0.501 63.594 63.200 -0.178 0.000 0.973 433 S HN 0.676 nan 8.310 nan 0.000 0.544 434 H N 0.646 119.778 119.070 0.103 0.000 2.551 434 H HA 0.219 4.775 4.556 -0.001 0.000 0.266 434 H C -0.550 174.867 175.328 0.149 0.000 0.964 434 H CA 0.336 56.471 56.048 0.144 0.000 1.180 434 H CB 0.339 30.193 29.762 0.153 0.000 1.408 434 H HN 0.442 nan 8.280 nan 0.000 0.563 435 F N 2.401 122.348 119.950 -0.005 0.000 2.794 435 F HA 0.275 4.801 4.527 -0.001 0.000 0.353 435 F C -2.629 173.096 175.800 -0.125 0.000 1.371 435 F CA -2.770 55.176 58.000 -0.090 0.000 1.173 435 F CB 0.866 39.777 39.000 -0.148 0.000 1.693 435 F HN -0.167 nan 8.300 nan 0.000 0.606 436 P HA 0.211 nan 4.420 nan 0.000 0.267 436 P C -0.485 176.572 177.300 -0.405 0.000 1.205 436 P CA 0.441 63.397 63.100 -0.239 0.000 0.765 436 P CB 1.384 32.985 31.700 -0.165 0.000 0.828 437 I N 2.984 123.388 120.570 -0.276 0.000 2.498 437 I HA 0.448 4.617 4.170 -0.001 0.000 0.290 437 I C 0.085 176.005 176.117 -0.330 0.000 1.032 437 I CA -0.799 60.282 61.300 -0.365 0.000 1.073 437 I CB 2.219 40.102 38.000 -0.195 0.000 1.251 437 I HN 0.208 nan 8.210 nan 0.000 0.426 438 K N 6.545 126.636 120.400 -0.514 0.000 2.588 438 K HA 0.523 4.843 4.320 -0.001 0.000 0.250 438 K C -2.103 174.207 176.600 -0.483 0.000 0.972 438 K CA -0.307 55.769 56.287 -0.352 0.000 0.821 438 K CB 0.969 33.373 32.500 -0.159 0.000 1.249 438 K HN 0.322 nan 8.250 nan 0.000 0.442 439 F N 2.789 122.773 119.950 0.055 0.000 2.450 439 F HA 0.276 4.802 4.527 -0.001 0.000 0.332 439 F C 1.157 176.980 175.800 0.037 0.000 1.093 439 F CA -0.697 57.334 58.000 0.052 0.000 1.003 439 F CB 1.633 40.667 39.000 0.058 0.000 1.151 439 F HN 0.596 nan 8.300 nan 0.000 0.474 440 D N 1.521 122.046 120.400 0.208 0.000 2.192 440 D HA -0.275 4.365 4.640 -0.001 0.000 0.189 440 D C 2.129 178.490 176.300 0.101 0.000 1.007 440 D CA 2.415 56.486 54.000 0.119 0.000 0.859 440 D CB -0.239 40.620 40.800 0.098 0.000 0.936 440 D HN 0.621 nan 8.370 nan 0.000 0.447 441 K N 1.337 121.804 120.400 0.111 0.000 2.432 441 K HA -0.035 4.284 4.320 -0.001 0.000 0.196 441 K C 0.991 177.640 176.600 0.083 0.000 1.038 441 K CA 0.591 56.925 56.287 0.078 0.000 0.986 441 K CB -0.293 32.240 32.500 0.056 0.000 0.782 441 K HN 0.137 nan 8.250 nan 0.000 0.485 442 E N 0.367 120.638 120.200 0.119 0.000 2.373 442 E HA 0.088 4.438 4.350 -0.001 0.000 0.267 442 E C 1.297 177.943 176.600 0.076 0.000 1.032 442 E CA -0.126 56.340 56.400 0.110 0.000 0.889 442 E CB 1.714 31.509 29.700 0.159 0.000 0.984 442 E HN -0.009 nan 8.360 nan 0.000 0.425 443 V N 2.208 122.160 119.914 0.063 0.000 2.343 443 V HA -0.170 3.949 4.120 -0.001 0.000 0.247 443 V C 1.063 177.185 176.094 0.047 0.000 1.051 443 V CA 1.679 64.007 62.300 0.047 0.000 1.036 443 V CB -0.305 31.542 31.823 0.041 0.000 0.654 443 V HN 0.562 nan 8.190 nan 0.000 0.451 444 V N -3.441 116.507 119.914 0.056 0.000 3.159 444 V HA 0.729 4.848 4.120 -0.001 0.000 0.308 444 V C -0.223 175.906 176.094 0.057 0.000 1.190 444 V CA -0.603 61.728 62.300 0.052 0.000 1.037 444 V CB 1.647 33.500 31.823 0.050 0.000 1.060 444 V HN 0.223 nan 8.190 nan 0.000 0.437 445 S N 1.120 116.847 115.700 0.046 0.000 2.579 445 S HA 0.167 4.637 4.470 -0.001 0.000 0.275 445 S C 0.738 175.378 174.600 0.066 0.000 1.345 445 S CA 0.417 58.638 58.200 0.034 0.000 1.031 445 S CB 0.252 63.473 63.200 0.036 0.000 0.892 445 S HN 0.857 nan 8.310 nan 0.000 0.529 446 N N 1.088 119.827 118.700 0.065 0.000 2.149 446 N HA -0.137 4.602 4.740 -0.001 0.000 0.188 446 N C 1.461 177.033 175.510 0.103 0.000 1.019 446 N CA 1.887 54.992 53.050 0.092 0.000 0.857 446 N CB -0.839 37.708 38.487 0.100 0.000 0.997 446 N HN 0.904 nan 8.380 nan 0.000 0.426 447 H N 0.352 119.444 119.070 0.037 0.000 2.389 447 H HA -0.021 4.534 4.556 -0.001 0.000 0.299 447 H C 1.047 176.420 175.328 0.075 0.000 1.081 447 H CA 1.515 57.598 56.048 0.057 0.000 1.345 447 H CB -0.078 29.716 29.762 0.053 0.000 1.393 447 H HN 0.095 nan 8.280 nan 0.000 0.520 448 D N -0.209 120.232 120.400 0.069 0.000 2.144 448 D HA -0.133 4.506 4.640 -0.001 0.000 0.199 448 D C 2.159 178.478 176.300 0.033 0.000 0.984 448 D CA 1.205 55.230 54.000 0.041 0.000 0.834 448 D CB -0.219 40.621 40.800 0.066 0.000 0.955 448 D HN 0.449 nan 8.370 nan 0.000 0.465 449 E N 0.480 120.708 120.200 0.047 0.000 2.058 449 E HA -0.162 4.188 4.350 -0.001 0.000 0.194 449 E C 1.984 178.624 176.600 0.066 0.000 0.997 449 E CA 0.625 57.062 56.400 0.062 0.000 0.801 449 E CB -0.469 29.274 29.700 0.073 0.000 0.746 449 E HN 0.205 nan 8.360 nan 0.000 0.450 450 L N -0.149 121.097 121.223 0.037 0.000 2.012 450 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 450 L C 2.071 178.993 176.870 0.086 0.000 1.073 450 L CA 1.921 56.803 54.840 0.071 0.000 0.748 450 L CB -0.444 41.613 42.059 -0.002 0.000 0.891 450 L HN 0.231 nan 8.230 nan 0.000 0.431 451 M N -0.628 118.949 119.600 -0.039 0.000 2.394 451 M HA -0.070 4.409 4.480 -0.001 0.000 0.264 451 M C 2.237 178.644 176.300 0.179 0.000 1.073 451 M CA 1.561 56.859 55.300 -0.003 0.000 1.111 451 M CB -1.732 30.825 32.600 -0.073 0.000 1.401 451 M HN 0.612 nan 8.290 nan 0.000 0.448 452 T N -1.080 113.569 114.554 0.159 0.000 2.803 452 T HA -0.125 4.224 4.350 -0.001 0.000 0.269 452 T C 1.596 176.384 174.700 0.146 0.000 1.052 452 T CA 1.424 63.632 62.100 0.180 0.000 1.136 452 T CB -0.424 68.510 68.868 0.110 0.000 0.864 452 T HN 0.366 nan 8.240 nan 0.000 0.467 453 N N 0.352 119.109 118.700 0.095 0.000 2.300 453 N HA 0.025 4.764 4.740 -0.001 0.000 0.179 453 N C 1.540 176.929 175.510 -0.201 0.000 1.016 453 N CA 0.963 54.040 53.050 0.044 0.000 0.876 453 N CB -0.386 38.222 38.487 0.202 0.000 0.979 453 N HN 0.461 nan 8.380 nan 0.000 0.432 454 F N 1.605 121.194 119.950 -0.602 0.000 2.069 454 F HA -0.168 4.358 4.527 -0.001 0.000 0.298 454 F C 1.820 177.242 175.800 -0.631 0.000 1.113 454 F CA 1.488 58.907 58.000 -0.969 0.000 1.214 454 F CB -0.387 38.047 39.000 -0.944 0.000 0.978 454 F HN -0.171 nan 8.300 nan 0.000 0.474 455 F N 0.457 120.335 119.950 -0.121 0.000 2.128 455 F HA 0.012 4.538 4.527 -0.001 0.000 0.295 455 F C 2.628 178.337 175.800 -0.151 0.000 1.100 455 F CA 1.167 59.077 58.000 -0.150 0.000 1.260 455 F CB -1.542 37.448 39.000 -0.016 0.000 1.009 455 F HN 0.050 nan 8.300 nan 0.000 0.476 456 A N -0.315 122.550 122.820 0.075 0.000 1.902 456 A HA -0.186 4.134 4.320 -0.001 0.000 0.217 456 A C 2.226 179.809 177.584 -0.002 0.000 1.181 456 A CA 1.382 53.438 52.037 0.031 0.000 0.623 456 A CB -0.621 18.403 19.000 0.039 0.000 0.818 456 A HN 0.308 nan 8.150 nan 0.000 0.443 457 Q N -0.494 119.292 119.800 -0.025 0.000 2.050 457 Q HA -0.132 4.208 4.340 -0.001 0.000 0.202 457 Q C 2.495 178.469 176.000 -0.044 0.000 0.980 457 Q CA 1.663 57.491 55.803 0.043 0.000 0.840 457 Q CB -0.767 28.040 28.738 0.115 0.000 0.898 457 Q HN 0.650 nan 8.270 nan 0.000 0.424 458 A N 1.616 124.333 122.820 -0.172 0.000 1.883 458 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 458 A C 1.790 179.316 177.584 -0.096 0.000 1.186 458 A CA 1.912 53.835 52.037 -0.189 0.000 0.624 458 A CB -0.477 18.348 19.000 -0.291 0.000 0.822 458 A HN 0.250 nan 8.150 nan 0.000 0.444 459 D N -0.027 120.339 120.400 -0.056 0.000 2.117 459 D HA -0.026 4.614 4.640 -0.001 0.000 0.198 459 D C 2.267 178.560 176.300 -0.012 0.000 0.982 459 D CA 1.515 55.500 54.000 -0.024 0.000 0.828 459 D CB -0.528 40.267 40.800 -0.008 0.000 0.967 459 D HN 0.414 nan 8.370 nan 0.000 0.464 460 A N 0.767 123.590 122.820 0.005 0.000 1.908 460 A HA -0.143 4.177 4.320 -0.001 0.000 0.218 460 A C 2.402 180.049 177.584 0.105 0.000 1.181 460 A CA 1.003 53.053 52.037 0.022 0.000 0.627 460 A CB -0.819 18.202 19.000 0.035 0.000 0.818 460 A HN 0.205 nan 8.150 nan 0.000 0.445 461 L N -1.008 120.265 121.223 0.084 0.000 2.056 461 L HA -0.182 4.157 4.340 -0.001 0.000 0.207 461 L C 3.110 179.973 176.870 -0.012 0.000 1.078 461 L CA 1.054 55.883 54.840 -0.018 0.000 0.749 461 L CB -0.509 41.439 42.059 -0.185 0.000 0.901 461 L HN 0.456 nan 8.230 nan 0.000 0.433 462 A N 0.703 123.510 122.820 -0.022 0.000 1.855 462 A HA -0.177 4.143 4.320 -0.001 0.000 0.215 462 A C 2.186 179.781 177.584 0.018 0.000 1.191 462 A CA 1.861 53.890 52.037 -0.013 0.000 0.613 462 A CB -0.627 18.361 19.000 -0.020 0.000 0.829 462 A HN 0.529 nan 8.150 nan 0.000 0.442 463 I N -3.393 117.188 120.570 0.018 0.000 2.584 463 I HA 0.392 4.562 4.170 -0.001 0.000 0.255 463 I C 1.376 177.517 176.117 0.040 0.000 1.145 463 I CA 0.763 62.076 61.300 0.022 0.000 1.462 463 I CB -0.796 37.207 38.000 0.005 0.000 1.102 463 I HN 0.544 nan 8.210 nan 0.000 0.433 464 G N 1.987 110.819 108.800 0.053 0.000 2.601 464 G HA2 -0.349 3.610 3.960 -0.001 0.000 0.261 464 G HA3 -0.349 3.610 3.960 -0.001 0.000 0.261 464 G C -0.217 174.713 174.900 0.049 0.000 1.289 464 G CA 0.468 45.635 45.100 0.111 0.000 0.920 464 G HN 0.802 nan 8.290 nan 0.000 0.571 465 K N -0.033 120.453 120.400 0.145 0.000 2.651 465 K HA 0.525 4.844 4.320 -0.001 0.000 0.259 465 K C 0.445 177.141 176.600 0.160 0.000 1.017 465 K CA 0.110 56.462 56.287 0.108 0.000 0.897 465 K CB 0.820 33.362 32.500 0.069 0.000 1.262 465 K HN 1.187 nan 8.250 nan 0.000 0.460 466 T N 0.975 115.596 114.554 0.111 0.000 2.813 466 T HA 0.004 4.353 4.350 -0.001 0.000 0.297 466 T C 1.161 175.946 174.700 0.141 0.000 1.036 466 T CA -0.221 61.955 62.100 0.128 0.000 1.044 466 T CB 0.478 69.406 68.868 0.100 0.000 0.993 466 T HN 0.576 nan 8.240 nan 0.000 0.535 467 Y N 1.117 121.446 120.300 0.048 0.000 2.165 467 Y HA -0.134 4.415 4.550 -0.001 0.000 0.286 467 Y C 2.495 178.417 175.900 0.036 0.000 1.155 467 Y CA 2.081 60.205 58.100 0.039 0.000 1.164 467 Y CB -0.220 38.254 38.460 0.024 0.000 0.978 467 Y HN 0.702 nan 8.280 nan 0.000 0.513 468 E N 0.181 120.443 120.200 0.103 0.000 2.150 468 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 468 E C 2.072 178.646 176.600 -0.043 0.000 0.985 468 E CA 1.351 57.761 56.400 0.016 0.000 0.814 468 E CB -0.241 29.504 29.700 0.075 0.000 0.752 468 E HN 0.703 nan 8.360 nan 0.000 0.466 469 Q N 0.100 119.891 119.800 -0.016 0.000 2.119 469 Q HA -0.070 4.269 4.340 -0.001 0.000 0.201 469 Q C 2.353 178.324 176.000 -0.049 0.000 0.972 469 Q CA 1.013 56.804 55.803 -0.020 0.000 0.847 469 Q CB 0.059 28.800 28.738 0.004 0.000 0.903 469 Q HN 0.081 nan 8.270 nan 0.000 0.433 470 V N 1.327 121.196 119.914 -0.075 0.000 2.295 470 V HA -0.284 3.835 4.120 -0.001 0.000 0.246 470 V C 2.251 178.241 176.094 -0.174 0.000 1.049 470 V CA 1.898 64.137 62.300 -0.102 0.000 1.024 470 V CB -0.463 31.296 31.823 -0.107 0.000 0.648 470 V HN 0.306 nan 8.190 nan 0.000 0.447 471 K N -0.107 120.116 120.400 -0.294 0.000 2.057 471 K HA -0.251 4.068 4.320 -0.001 0.000 0.207 471 K C 2.241 178.770 176.600 -0.119 0.000 1.049 471 K CA 1.926 58.057 56.287 -0.260 0.000 0.931 471 K CB -0.112 32.195 32.500 -0.321 0.000 0.714 471 K HN 0.580 nan 8.250 nan 0.000 0.440 472 E N 0.481 120.630 120.200 -0.086 0.000 2.077 472 E HA -0.254 4.095 4.350 -0.001 0.000 0.193 472 E C 1.833 178.410 176.600 -0.038 0.000 0.989 472 E CA 1.506 57.878 56.400 -0.046 0.000 0.800 472 E CB 0.049 29.731 29.700 -0.031 0.000 0.746 472 E HN 0.315 nan 8.360 nan 0.000 0.452 473 E N 0.516 120.692 120.200 -0.041 0.000 2.150 473 E HA -0.201 4.149 4.350 -0.001 0.000 0.193 473 E C 1.704 178.287 176.600 -0.027 0.000 0.985 473 E CA 1.382 57.765 56.400 -0.028 0.000 0.814 473 E CB -0.155 29.532 29.700 -0.022 0.000 0.752 473 E HN 0.150 nan 8.360 nan 0.000 0.466 474 N N 0.314 118.989 118.700 -0.041 0.000 2.512 474 N HA -0.103 4.637 4.740 -0.001 0.000 0.183 474 N C 1.018 176.514 175.510 -0.024 0.000 1.073 474 N CA 0.786 53.816 53.050 -0.034 0.000 0.911 474 N CB 0.077 38.533 38.487 -0.051 0.000 0.964 474 N HN 0.287 nan 8.380 nan 0.000 0.447 475 E N -0.243 119.943 120.200 -0.024 0.000 2.160 475 E HA -0.151 4.198 4.350 -0.001 0.000 0.195 475 E C 1.435 178.029 176.600 -0.009 0.000 0.991 475 E CA 0.900 57.292 56.400 -0.014 0.000 0.810 475 E CB 0.165 29.857 29.700 -0.013 0.000 0.742 475 E HN 0.403 nan 8.360 nan 0.000 0.466 476 K N -0.059 120.335 120.400 -0.010 0.000 2.214 476 K HA 0.063 4.383 4.320 -0.001 0.000 0.201 476 K C 1.734 178.332 176.600 -0.005 0.000 1.049 476 K CA 0.313 56.596 56.287 -0.006 0.000 0.978 476 K CB 0.083 32.579 32.500 -0.006 0.000 0.842 476 K HN 0.013 nan 8.250 nan 0.000 0.474 477 N N 1.692 120.389 118.700 -0.005 0.000 2.188 477 N HA -0.102 4.637 4.740 -0.001 0.000 0.184 477 N C -0.071 175.438 175.510 -0.001 0.000 1.018 477 N CA 0.729 53.777 53.050 -0.002 0.000 0.858 477 N CB -0.078 38.408 38.487 -0.001 0.000 0.989 477 N HN 0.109 nan 8.380 nan 0.000 0.426 478 K N -0.271 120.127 120.400 -0.003 0.000 3.096 478 K HA -0.189 4.131 4.320 -0.001 0.000 0.266 478 K C -0.085 176.517 176.600 0.003 0.000 1.043 478 K CA 0.145 56.431 56.287 -0.000 0.000 0.758 478 K CB -1.544 30.957 32.500 0.001 0.000 1.260 478 K HN 0.360 nan 8.250 nan 0.000 0.481 479 M N 0.594 120.197 119.600 0.004 0.000 2.240 479 M HA 0.051 4.530 4.480 -0.001 0.000 0.333 479 M C 0.430 176.738 176.300 0.015 0.000 1.110 479 M CA 0.399 55.704 55.300 0.008 0.000 1.173 479 M CB 1.007 33.614 32.600 0.011 0.000 1.458 479 M HN 0.166 nan 8.290 nan 0.000 0.458 480 S N 4.311 120.022 115.700 0.018 0.000 2.596 480 S HA 0.079 4.548 4.470 -0.001 0.000 0.298 480 S C -1.510 173.116 174.600 0.043 0.000 1.255 480 S CA -1.237 56.979 58.200 0.027 0.000 1.083 480 S CB 0.397 63.612 63.200 0.025 0.000 0.837 480 S HN 0.535 nan 8.310 nan 0.000 0.499 481 P HA -0.185 nan 4.420 nan 0.000 0.218 481 P C 1.310 178.676 177.300 0.110 0.000 1.146 481 P CA 1.020 64.160 63.100 0.067 0.000 0.813 481 P CB -0.013 31.726 31.700 0.064 0.000 0.778 482 E N 0.813 121.071 120.200 0.097 0.000 2.268 482 E HA -0.132 4.218 4.350 -0.001 0.000 0.195 482 E C 1.806 178.499 176.600 0.155 0.000 0.995 482 E CA 0.867 57.334 56.400 0.113 0.000 0.836 482 E CB -1.155 28.593 29.700 0.080 0.000 0.763 482 E HN 0.328 nan 8.360 nan 0.000 0.491 483 L N 0.598 121.913 121.223 0.153 0.000 2.554 483 L HA 0.082 4.422 4.340 -0.001 0.000 0.226 483 L C 2.483 179.511 176.870 0.263 0.000 1.137 483 L CA 0.022 55.001 54.840 0.231 0.000 0.863 483 L CB -0.332 41.783 42.059 0.093 0.000 0.985 483 L HN 0.023 nan 8.230 nan 0.000 0.451 484 L N 0.004 121.338 121.223 0.184 0.000 2.187 484 L HA -0.205 4.135 4.340 -0.001 0.000 0.213 484 L C 2.804 179.789 176.870 0.193 0.000 1.100 484 L CA 1.762 56.681 54.840 0.133 0.000 0.765 484 L CB -1.234 40.812 42.059 -0.021 0.000 0.904 484 L HN 0.486 nan 8.230 nan 0.000 0.437 485 T N -4.096 110.597 114.554 0.232 0.000 2.759 485 T HA -0.252 4.098 4.350 -0.001 0.000 0.269 485 T C 1.737 176.412 174.700 -0.042 0.000 1.042 485 T CA 1.271 63.431 62.100 0.099 0.000 1.140 485 T CB -0.632 68.202 68.868 -0.058 0.000 0.864 485 T HN 0.399 nan 8.240 nan 0.000 0.455 486 H N 1.561 120.655 119.070 0.040 0.000 2.518 486 H HA 0.092 4.647 4.556 -0.001 0.000 0.289 486 H C 1.758 177.057 175.328 -0.049 0.000 1.051 486 H CA 1.052 57.094 56.048 -0.010 0.000 1.280 486 H CB 0.056 29.817 29.762 -0.001 0.000 1.380 486 H HN 0.502 nan 8.280 nan 0.000 0.566 487 K N 0.747 121.201 120.400 0.091 0.000 2.358 487 K HA 0.152 4.471 4.320 -0.001 0.000 0.197 487 K C 0.178 176.832 176.600 0.089 0.000 1.025 487 K CA -0.089 56.243 56.287 0.074 0.000 1.104 487 K CB 1.148 33.718 32.500 0.116 0.000 0.855 487 K HN -0.096 nan 8.250 nan 0.000 0.531 488 V N 1.845 121.781 119.914 0.038 0.000 2.614 488 V HA 0.126 4.245 4.120 -0.001 0.000 0.291 488 V C -0.259 175.831 176.094 -0.007 0.000 1.049 488 V CA 0.022 62.389 62.300 0.110 0.000 1.038 488 V CB 0.334 32.234 31.823 0.127 0.000 0.980 488 V HN 0.042 nan 8.190 nan 0.000 0.481 489 F N 3.898 123.885 119.950 0.062 0.000 2.382 489 F HA 0.430 4.956 4.527 -0.001 0.000 0.361 489 F C 1.332 177.170 175.800 0.064 0.000 1.109 489 F CA -0.647 57.395 58.000 0.071 0.000 1.031 489 F CB 1.181 40.226 39.000 0.075 0.000 1.234 489 F HN 0.439 nan 8.300 nan 0.000 0.445 490 N N 2.193 120.997 118.700 0.174 0.000 2.364 490 N HA -0.030 4.709 4.740 -0.001 0.000 0.183 490 N C 1.349 176.933 175.510 0.123 0.000 1.022 490 N CA 1.017 54.141 53.050 0.124 0.000 0.883 490 N CB -0.106 38.426 38.487 0.075 0.000 0.965 490 N HN 0.899 nan 8.380 nan 0.000 0.438 491 G N 1.497 110.387 108.800 0.150 0.000 2.645 491 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.246 491 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.246 491 G C 0.028 174.965 174.900 0.063 0.000 1.322 491 G CA 0.131 45.294 45.100 0.106 0.000 0.898 491 G HN 0.316 nan 8.290 nan 0.000 0.573 492 N N -1.147 117.579 118.700 0.043 0.000 2.714 492 N HA -0.178 4.562 4.740 -0.001 0.000 0.250 492 N C 0.415 175.919 175.510 -0.011 0.000 1.117 492 N CA 1.875 54.945 53.050 0.034 0.000 0.719 492 N CB -0.665 37.868 38.487 0.077 0.000 1.081 492 N HN 0.851 nan 8.380 nan 0.000 0.557 493 R N 1.075 121.543 120.500 -0.054 0.000 2.198 493 R HA 0.293 4.632 4.340 -0.001 0.000 0.339 493 R C -2.031 174.174 176.300 -0.159 0.000 1.020 493 R CA -1.259 54.758 56.100 -0.139 0.000 0.864 493 R CB 1.071 31.274 30.300 -0.160 0.000 1.105 493 R HN 0.063 nan 8.270 nan 0.000 0.463 494 P HA 0.080 nan 4.420 nan 0.000 0.274 494 P C -0.909 176.289 177.300 -0.170 0.000 1.231 494 P CA -0.361 62.638 63.100 -0.169 0.000 0.790 494 P CB 1.517 33.114 31.700 -0.171 0.000 0.951 495 S N -0.239 115.370 115.700 -0.151 0.000 2.537 495 S HA 0.573 5.043 4.470 -0.001 0.000 0.270 495 S C -0.868 173.667 174.600 -0.109 0.000 1.142 495 S CA -0.626 57.488 58.200 -0.143 0.000 0.870 495 S CB 1.103 64.196 63.200 -0.178 0.000 1.112 495 S HN 0.311 nan 8.310 nan 0.000 0.466 496 T N 2.807 117.316 114.554 -0.074 0.000 2.797 496 T HA 0.577 4.926 4.350 -0.001 0.000 0.279 496 T C -0.637 174.036 174.700 -0.045 0.000 0.991 496 T CA -0.574 61.509 62.100 -0.028 0.000 0.979 496 T CB 0.649 69.533 68.868 0.028 0.000 0.943 496 T HN 0.584 nan 8.240 nan 0.000 0.444 497 L N 3.782 124.980 121.223 -0.041 0.000 2.322 497 L HA 0.579 4.918 4.340 -0.001 0.000 0.281 497 L C -1.075 175.861 176.870 0.109 0.000 1.014 497 L CA -1.004 53.809 54.840 -0.045 0.000 0.815 497 L CB 1.288 43.250 42.059 -0.161 0.000 1.247 497 L HN 0.369 nan 8.230 nan 0.000 0.421 498 L N 5.020 126.350 121.223 0.179 0.000 2.342 498 L HA 0.463 4.802 4.340 -0.001 0.000 0.276 498 L C -0.760 176.119 176.870 0.016 0.000 0.997 498 L CA -0.125 54.764 54.840 0.082 0.000 0.838 498 L CB 1.667 43.765 42.059 0.064 0.000 1.224 498 L HN 0.347 nan 8.230 nan 0.000 0.416 499 L N 4.332 125.530 121.223 -0.042 0.000 2.316 499 L HA 0.648 4.988 4.340 -0.001 0.000 0.280 499 L C -1.112 175.661 176.870 -0.161 0.000 1.006 499 L CA 0.058 54.818 54.840 -0.133 0.000 0.836 499 L CB 0.600 42.650 42.059 -0.015 0.000 1.221 499 L HN 0.226 nan 8.230 nan 0.000 0.418 500 F N 2.487 122.302 119.950 -0.224 0.000 2.450 500 F HA 0.366 4.892 4.527 -0.001 0.000 0.328 500 F C 1.367 177.226 175.800 0.097 0.000 1.068 500 F CA -0.368 57.636 58.000 0.007 0.000 1.007 500 F CB 1.084 40.067 39.000 -0.027 0.000 1.251 500 F HN 0.651 nan 8.300 nan 0.000 0.492 501 D N -0.236 120.401 120.400 0.396 0.000 2.137 501 D HA -0.076 4.563 4.640 -0.001 0.000 0.202 501 D C 0.145 176.696 176.300 0.419 0.000 0.970 501 D CA 1.024 55.223 54.000 0.331 0.000 0.837 501 D CB 0.062 41.033 40.800 0.285 0.000 0.981 501 D HN 0.623 nan 8.370 nan 0.000 0.475 502 E N -1.256 119.174 120.200 0.383 0.000 2.392 502 E HA 0.372 4.722 4.350 -0.001 0.000 0.279 502 E C -1.802 174.774 176.600 -0.041 0.000 0.964 502 E CA -0.923 55.599 56.400 0.203 0.000 0.777 502 E CB 1.787 31.577 29.700 0.150 0.000 1.249 502 E HN -0.001 nan 8.360 nan 0.000 0.449 503 L N 4.671 125.573 121.223 -0.536 0.000 2.352 503 L HA 0.364 4.703 4.340 -0.001 0.000 0.272 503 L C -1.000 175.535 176.870 -0.558 0.000 1.109 503 L CA -0.106 54.251 54.840 -0.805 0.000 0.952 503 L CB -0.672 40.429 42.059 -1.596 0.000 1.314 503 L HN 0.516 nan 8.230 nan 0.000 0.427 504 N N 1.755 120.112 118.700 -0.572 0.000 2.741 504 N HA 0.336 5.075 4.740 -0.001 0.000 0.310 504 N C 0.624 175.800 175.510 -0.556 0.000 1.295 504 N CA -0.601 51.882 53.050 -0.944 0.000 0.893 504 N CB -0.000 38.135 38.487 -0.587 0.000 1.247 504 N HN 0.130 nan 8.380 nan 0.000 0.596 505 F N -1.263 118.500 119.950 -0.312 0.000 2.134 505 F HA -0.074 4.452 4.527 -0.001 0.000 0.299 505 F C 2.159 178.015 175.800 0.092 0.000 1.097 505 F CA 1.372 59.349 58.000 -0.039 0.000 1.264 505 F CB -0.518 38.500 39.000 0.030 0.000 1.001 505 F HN 0.576 nan 8.300 nan 0.000 0.479 506 Y N 0.779 121.162 120.300 0.137 0.000 2.114 506 Y HA -0.279 4.270 4.550 -0.001 0.000 0.284 506 Y C 2.570 178.490 175.900 0.033 0.000 1.143 506 Y CA 2.280 60.431 58.100 0.086 0.000 1.135 506 Y CB -0.844 37.668 38.460 0.086 0.000 0.980 506 Y HN -0.066 nan 8.280 nan 0.000 0.499 507 T N -0.696 113.896 114.554 0.064 0.000 2.788 507 T HA -0.271 4.078 4.350 -0.001 0.000 0.268 507 T C 2.017 176.589 174.700 -0.214 0.000 1.044 507 T CA 1.450 63.524 62.100 -0.044 0.000 1.139 507 T CB -1.029 67.838 68.868 -0.002 0.000 0.867 507 T HN 0.612 nan 8.240 nan 0.000 0.454 508 C N 1.342 120.538 119.300 -0.173 0.000 2.422 508 C HA 0.074 4.534 4.460 -0.001 0.000 0.279 508 C C 2.994 177.968 174.990 -0.026 0.000 1.305 508 C CA 0.733 59.708 59.018 -0.071 0.000 1.757 508 C CB -1.496 26.228 27.740 -0.026 0.000 1.962 508 C HN 0.692 nan 8.230 nan 0.000 0.499 509 G N 0.192 108.782 108.800 -0.350 0.000 2.404 509 G HA2 -0.112 3.847 3.960 -0.001 0.000 0.215 509 G HA3 -0.112 3.847 3.960 -0.001 0.000 0.215 509 G C 1.597 176.290 174.900 -0.345 0.000 1.174 509 G CA 0.833 45.440 45.100 -0.821 0.000 0.780 509 G HN 0.548 nan 8.290 nan 0.000 0.537 510 L N -0.338 120.737 121.223 -0.246 0.000 2.012 510 L HA -0.099 4.241 4.340 -0.001 0.000 0.210 510 L C 2.735 179.645 176.870 0.066 0.000 1.073 510 L CA 0.805 55.631 54.840 -0.024 0.000 0.748 510 L CB -0.465 41.672 42.059 0.131 0.000 0.891 510 L HN 0.241 nan 8.230 nan 0.000 0.431 511 L N -0.262 120.966 121.223 0.009 0.000 2.017 511 L HA -0.213 4.126 4.340 -0.001 0.000 0.208 511 L C 2.338 179.387 176.870 0.299 0.000 1.073 511 L CA 1.581 56.476 54.840 0.092 0.000 0.745 511 L CB -0.512 41.440 42.059 -0.179 0.000 0.894 511 L HN 0.126 nan 8.230 nan 0.000 0.432 512 L N -1.109 120.305 121.223 0.319 0.000 1.994 512 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 512 L C 2.691 179.751 176.870 0.317 0.000 1.071 512 L CA 2.262 57.365 54.840 0.437 0.000 0.745 512 L CB -1.047 41.299 42.059 0.478 0.000 0.892 512 L HN 0.437 nan 8.230 nan 0.000 0.431 513 S N -1.055 114.760 115.700 0.192 0.000 2.399 513 S HA -0.167 4.302 4.470 -0.001 0.000 0.231 513 S C 2.051 176.737 174.600 0.143 0.000 1.022 513 S CA 1.319 59.628 58.200 0.181 0.000 0.983 513 S CB -0.607 62.680 63.200 0.145 0.000 0.803 513 S HN 0.444 nan 8.310 nan 0.000 0.480 514 L N 0.711 122.023 121.223 0.149 0.000 2.012 514 L HA -0.057 4.283 4.340 -0.001 0.000 0.210 514 L C 1.914 178.752 176.870 -0.052 0.000 1.073 514 L CA 2.067 56.942 54.840 0.059 0.000 0.748 514 L CB -1.135 40.981 42.059 0.095 0.000 0.891 514 L HN 0.406 nan 8.230 nan 0.000 0.431 515 Y N 0.169 120.517 120.300 0.080 0.000 2.263 515 Y HA -0.123 4.426 4.550 -0.001 0.000 0.292 515 Y C 2.573 178.466 175.900 -0.011 0.000 1.130 515 Y CA 1.622 59.740 58.100 0.029 0.000 1.179 515 Y CB -0.289 38.182 38.460 0.018 0.000 0.998 515 Y HN 0.322 nan 8.280 nan 0.000 0.532 516 E N -0.502 119.804 120.200 0.178 0.000 2.077 516 E HA -0.184 4.166 4.350 -0.001 0.000 0.193 516 E C 2.272 178.968 176.600 0.161 0.000 0.989 516 E CA 1.580 58.111 56.400 0.219 0.000 0.800 516 E CB -0.200 29.702 29.700 0.336 0.000 0.746 516 E HN 0.329 nan 8.360 nan 0.000 0.452 517 S N 0.699 116.358 115.700 -0.068 0.000 2.356 517 S HA -0.161 4.309 4.470 -0.001 0.000 0.223 517 S C 1.861 176.135 174.600 -0.544 0.000 1.032 517 S CA 0.762 58.585 58.200 -0.628 0.000 1.005 517 S CB -0.208 62.349 63.200 -1.071 0.000 0.867 517 S HN 0.207 nan 8.310 nan 0.000 0.449 518 R N 1.286 121.606 120.500 -0.300 0.000 2.083 518 R HA -0.102 4.238 4.340 -0.001 0.000 0.237 518 R C 1.969 178.247 176.300 -0.036 0.000 1.137 518 R CA 1.398 57.400 56.100 -0.163 0.000 0.951 518 R CB -0.654 29.514 30.300 -0.219 0.000 0.851 518 R HN 0.316 nan 8.270 nan 0.000 0.434 519 I N 0.870 121.434 120.570 -0.009 0.000 2.226 519 I HA -0.202 3.968 4.170 -0.001 0.000 0.245 519 I C 2.577 178.719 176.117 0.042 0.000 1.100 519 I CA 0.775 62.086 61.300 0.018 0.000 1.374 519 I CB -1.115 36.868 38.000 -0.029 0.000 1.057 519 I HN -0.013 nan 8.210 nan 0.000 0.413 520 V N 1.332 121.331 119.914 0.142 0.000 2.295 520 V HA -0.270 3.849 4.120 -0.001 0.000 0.246 520 V C 2.818 179.020 176.094 0.179 0.000 1.049 520 V CA 1.867 64.281 62.300 0.191 0.000 1.024 520 V CB -1.123 30.996 31.823 0.494 0.000 0.648 520 V HN 0.457 nan 8.190 nan 0.000 0.447 521 A N -0.666 122.355 122.820 0.335 0.000 1.902 521 A HA -0.290 4.029 4.320 -0.001 0.000 0.217 521 A C 2.257 179.974 177.584 0.221 0.000 1.181 521 A CA 2.106 54.382 52.037 0.398 0.000 0.623 521 A CB -0.556 18.673 19.000 0.382 0.000 0.818 521 A HN 0.613 nan 8.150 nan 0.000 0.443 522 E N -0.763 119.514 120.200 0.127 0.000 2.110 522 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 522 E C 2.074 178.715 176.600 0.068 0.000 0.988 522 E CA 0.903 57.369 56.400 0.111 0.000 0.804 522 E CB -0.377 29.402 29.700 0.132 0.000 0.745 522 E HN 0.558 nan 8.360 nan 0.000 0.458 523 G N 0.131 108.900 108.800 -0.051 0.000 2.440 523 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.218 523 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.218 523 G C 1.157 176.012 174.900 -0.075 0.000 1.154 523 G CA 0.715 45.721 45.100 -0.157 0.000 0.767 523 G HN 0.205 nan 8.290 nan 0.000 0.552 524 F N 0.754 120.753 119.950 0.081 0.000 2.186 524 F HA 0.137 4.664 4.527 -0.001 0.000 0.299 524 F C 2.630 178.436 175.800 0.010 0.000 1.090 524 F CA 0.323 58.361 58.000 0.063 0.000 1.307 524 F CB -0.605 38.442 39.000 0.078 0.000 1.019 524 F HN 0.029 nan 8.300 nan 0.000 0.489 525 L N -0.665 120.644 121.223 0.143 0.000 2.046 525 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 525 L C 2.217 179.069 176.870 -0.030 0.000 1.077 525 L CA 1.142 55.953 54.840 -0.048 0.000 0.747 525 L CB -0.741 41.162 42.059 -0.261 0.000 0.896 525 L HN 0.146 nan 8.230 nan 0.000 0.432 526 L N -0.523 120.769 121.223 0.114 0.000 2.478 526 L HA -0.054 4.285 4.340 -0.001 0.000 0.223 526 L C 0.685 177.737 176.870 0.304 0.000 1.140 526 L CA 0.097 55.101 54.840 0.273 0.000 0.842 526 L CB -0.423 41.833 42.059 0.328 0.000 0.953 526 L HN 0.423 nan 8.230 nan 0.000 0.452 527 N N 0.729 119.561 118.700 0.221 0.000 2.740 527 N HA -0.210 4.529 4.740 -0.001 0.000 0.248 527 N C -0.411 175.226 175.510 0.212 0.000 1.062 527 N CA 0.733 53.918 53.050 0.225 0.000 0.704 527 N CB -1.094 37.516 38.487 0.205 0.000 0.968 527 N HN 0.571 nan 8.380 nan 0.000 0.547 528 I N -4.288 116.374 120.570 0.153 0.000 3.023 528 I HA 0.577 4.746 4.170 -0.001 0.000 0.312 528 I C 0.287 176.415 176.117 0.019 0.000 1.056 528 I CA -1.203 60.153 61.300 0.092 0.000 1.033 528 I CB 1.522 39.566 38.000 0.074 0.000 1.233 528 I HN -0.022 nan 8.210 nan 0.000 0.462 529 N N 1.834 120.546 118.700 0.021 0.000 2.437 529 N HA 0.237 4.976 4.740 -0.001 0.000 0.243 529 N C 0.140 175.532 175.510 -0.198 0.000 1.041 529 N CA -0.050 52.994 53.050 -0.010 0.000 0.940 529 N CB 0.972 39.537 38.487 0.131 0.000 1.133 529 N HN 0.631 nan 8.380 nan 0.000 0.506 530 S N 2.539 117.872 115.700 -0.612 0.000 2.555 530 S HA 0.061 4.530 4.470 -0.001 0.000 0.230 530 S C 0.705 174.911 174.600 -0.658 0.000 0.978 530 S CA 0.435 58.171 58.200 -0.773 0.000 0.934 530 S CB -0.237 62.244 63.200 -1.197 0.000 0.766 530 S HN 0.636 nan 8.310 nan 0.000 0.533 531 F N 1.388 121.373 119.950 0.058 0.000 2.721 531 F HA 0.242 4.768 4.527 -0.001 0.000 0.301 531 F C 0.781 176.599 175.800 0.030 0.000 1.096 531 F CA -0.747 57.300 58.000 0.077 0.000 1.308 531 F CB 0.153 39.183 39.000 0.050 0.000 1.086 531 F HN 0.118 nan 8.300 nan 0.000 0.587 532 D N -0.341 120.103 120.400 0.075 0.000 2.569 532 D HA 0.316 4.955 4.640 -0.001 0.000 0.266 532 D C -0.169 176.026 176.300 -0.175 0.000 1.164 532 D CA -0.671 53.258 54.000 -0.118 0.000 1.071 532 D CB 0.562 41.276 40.800 -0.144 0.000 1.183 532 D HN 0.023 nan 8.370 nan 0.000 0.613 533 Q N -0.752 118.823 119.800 -0.377 0.000 3.214 533 Q HA 0.111 4.450 4.340 -0.001 0.000 0.277 533 Q C -0.758 175.116 176.000 -0.211 0.000 0.737 533 Q CA -0.534 55.143 55.803 -0.210 0.000 0.971 533 Q CB -1.347 27.313 28.738 -0.129 0.000 1.528 533 Q HN 0.749 nan 8.270 nan 0.000 0.375 534 W N 0.938 122.254 121.300 0.027 0.000 2.525 534 W HA 0.077 4.736 4.660 -0.001 0.000 0.259 534 W C 1.965 178.491 176.519 0.012 0.000 1.253 534 W CA 1.117 58.474 57.345 0.021 0.000 1.262 534 W CB 0.152 29.624 29.460 0.019 0.000 1.122 534 W HN 0.603 nan 8.180 nan 0.000 0.607 535 G N 0.380 109.286 108.800 0.177 0.000 2.559 535 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.216 535 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.216 535 G C 1.327 176.270 174.900 0.071 0.000 1.126 535 G CA 1.197 46.361 45.100 0.106 0.000 0.778 535 G HN 0.315 nan 8.290 nan 0.000 0.543 536 V N -3.045 116.905 119.914 0.061 0.000 3.608 536 V HA 0.253 4.372 4.120 -0.001 0.000 0.269 536 V C 1.852 177.979 176.094 0.055 0.000 1.245 536 V CA 1.065 63.388 62.300 0.039 0.000 1.138 536 V CB 0.130 31.959 31.823 0.009 0.000 0.841 536 V HN 0.317 nan 8.190 nan 0.000 0.451 537 E N 0.410 120.666 120.200 0.094 0.000 2.028 537 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 537 E C 2.054 178.698 176.600 0.073 0.000 0.988 537 E CA 1.557 58.019 56.400 0.103 0.000 0.799 537 E CB -0.177 29.623 29.700 0.168 0.000 0.755 537 E HN 0.530 nan 8.360 nan 0.000 0.447 538 L N 0.806 122.069 121.223 0.067 0.000 2.013 538 L HA -0.132 4.208 4.340 -0.001 0.000 0.212 538 L C 2.190 179.082 176.870 0.036 0.000 1.073 538 L CA 2.330 57.198 54.840 0.046 0.000 0.753 538 L CB -0.966 41.117 42.059 0.039 0.000 0.890 538 L HN 0.140 nan 8.230 nan 0.000 0.432 539 G N -1.189 107.630 108.800 0.032 0.000 2.418 539 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.217 539 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.217 539 G C 1.744 176.656 174.900 0.021 0.000 1.158 539 G CA 0.869 45.982 45.100 0.022 0.000 0.771 539 G HN 0.426 nan 8.290 nan 0.000 0.545 540 K N -0.045 120.372 120.400 0.028 0.000 2.026 540 K HA -0.035 4.285 4.320 -0.001 0.000 0.208 540 K C 2.627 179.245 176.600 0.030 0.000 1.048 540 K CA 1.219 57.522 56.287 0.028 0.000 0.929 540 K CB -0.257 32.263 32.500 0.033 0.000 0.713 540 K HN 0.180 nan 8.250 nan 0.000 0.439 541 V N 1.881 121.817 119.914 0.036 0.000 2.255 541 V HA -0.275 3.844 4.120 -0.001 0.000 0.247 541 V C 2.315 178.430 176.094 0.035 0.000 1.051 541 V CA 1.722 64.043 62.300 0.035 0.000 1.018 541 V CB -0.382 31.461 31.823 0.034 0.000 0.641 541 V HN 0.343 nan 8.190 nan 0.000 0.445 542 L N -0.071 121.173 121.223 0.035 0.000 2.141 542 L HA -0.115 4.224 4.340 -0.001 0.000 0.209 542 L C 2.659 179.553 176.870 0.039 0.000 1.094 542 L CA 1.311 56.179 54.840 0.046 0.000 0.763 542 L CB -0.772 41.313 42.059 0.043 0.000 0.908 542 L HN 0.377 nan 8.230 nan 0.000 0.437 543 A N 0.337 123.165 122.820 0.013 0.000 1.969 543 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 543 A C 2.369 179.949 177.584 -0.008 0.000 1.169 543 A CA 1.727 53.754 52.037 -0.017 0.000 0.635 543 A CB -0.324 18.669 19.000 -0.012 0.000 0.810 543 A HN 0.312 nan 8.150 nan 0.000 0.445 544 K N 0.053 120.468 120.400 0.025 0.000 2.097 544 K HA -0.191 4.129 4.320 -0.001 0.000 0.206 544 K C 2.005 178.652 176.600 0.079 0.000 1.049 544 K CA 1.721 58.034 56.287 0.045 0.000 0.933 544 K CB -0.169 32.358 32.500 0.045 0.000 0.717 544 K HN 0.603 nan 8.250 nan 0.000 0.442 545 E N -0.126 120.135 120.200 0.102 0.000 2.072 545 E HA -0.153 4.196 4.350 -0.001 0.000 0.191 545 E C 1.757 178.515 176.600 0.263 0.000 0.985 545 E CA 1.302 57.823 56.400 0.201 0.000 0.801 545 E CB 0.160 29.960 29.700 0.165 0.000 0.750 545 E HN 0.173 nan 8.360 nan 0.000 0.452 546 V N 1.294 121.260 119.914 0.087 0.000 2.358 546 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 546 V C 2.596 178.462 176.094 -0.380 0.000 1.047 546 V CA 1.964 64.130 62.300 -0.224 0.000 1.035 546 V CB -0.661 30.872 31.823 -0.483 0.000 0.658 546 V HN 0.285 nan 8.190 nan 0.000 0.452 547 R N 0.501 120.903 120.500 -0.163 0.000 2.096 547 R HA -0.207 4.132 4.340 -0.001 0.000 0.240 547 R C 2.243 178.599 176.300 0.094 0.000 1.139 547 R CA 2.082 58.171 56.100 -0.018 0.000 0.952 547 R CB -0.306 30.020 30.300 0.044 0.000 0.854 547 R HN 0.539 nan 8.270 nan 0.000 0.436 548 N N -0.187 118.607 118.700 0.156 0.000 2.120 548 N HA -0.207 4.532 4.740 -0.001 0.000 0.188 548 N C 1.581 177.235 175.510 0.242 0.000 1.024 548 N CA 1.185 54.382 53.050 0.245 0.000 0.852 548 N CB -0.528 38.169 38.487 0.349 0.000 1.003 548 N HN 0.303 nan 8.380 nan 0.000 0.424 549 Y N 1.013 121.295 120.300 -0.031 0.000 2.181 549 Y HA -0.088 4.461 4.550 -0.001 0.000 0.288 549 Y C 2.144 178.069 175.900 0.042 0.000 1.146 549 Y CA 1.398 59.309 58.100 -0.316 0.000 1.164 549 Y CB -0.650 37.526 38.460 -0.473 0.000 0.982 549 Y HN -0.006 nan 8.280 nan 0.000 0.515 550 F N -0.214 119.706 119.950 -0.049 0.000 2.102 550 F HA -0.299 4.227 4.527 -0.001 0.000 0.298 550 F C 2.444 178.193 175.800 -0.084 0.000 1.105 550 F CA 0.954 58.910 58.000 -0.073 0.000 1.239 550 F CB -0.482 38.539 39.000 0.035 0.000 0.991 550 F HN 0.184 nan 8.300 nan 0.000 0.474 551 N N 0.903 119.708 118.700 0.174 0.000 2.043 551 N HA -0.204 4.535 4.740 -0.001 0.000 0.193 551 N C 1.197 176.730 175.510 0.038 0.000 1.037 551 N CA 2.135 55.243 53.050 0.097 0.000 0.851 551 N CB -0.465 38.087 38.487 0.108 0.000 1.027 551 N HN 0.077 nan 8.380 nan 0.000 0.422 552 D N -1.042 119.373 120.400 0.025 0.000 2.144 552 D HA -0.084 4.555 4.640 -0.001 0.000 0.199 552 D C 1.707 177.956 176.300 -0.085 0.000 0.984 552 D CA 1.346 55.346 54.000 -0.000 0.000 0.834 552 D CB -0.717 40.126 40.800 0.072 0.000 0.955 552 D HN 0.358 nan 8.370 nan 0.000 0.465 553 T N 1.072 115.498 114.554 -0.213 0.000 2.770 553 T HA -0.054 4.295 4.350 -0.001 0.000 0.263 553 T C 1.915 176.539 174.700 -0.127 0.000 1.039 553 T CA 0.607 62.565 62.100 -0.237 0.000 1.142 553 T CB 0.122 68.725 68.868 -0.440 0.000 0.868 553 T HN 0.012 nan 8.240 nan 0.000 0.435 554 R N 1.863 122.305 120.500 -0.098 0.000 2.120 554 R HA 0.078 4.417 4.340 -0.001 0.000 0.234 554 R C 1.678 177.946 176.300 -0.054 0.000 1.123 554 R CA 0.880 56.931 56.100 -0.081 0.000 0.975 554 R CB -0.618 29.641 30.300 -0.069 0.000 0.866 554 R HN 0.445 nan 8.270 nan 0.000 0.446 555 N N 0.716 119.395 118.700 -0.035 0.000 2.299 555 N HA -0.058 4.681 4.740 -0.001 0.000 0.187 555 N C 0.381 175.881 175.510 -0.017 0.000 1.099 555 N CA 0.796 53.834 53.050 -0.019 0.000 0.867 555 N CB 0.398 38.884 38.487 -0.001 0.000 0.974 555 N HN 0.271 nan 8.380 nan 0.000 0.477 556 Q N -0.273 119.511 119.800 -0.027 0.000 2.439 556 Q HA -0.171 4.169 4.340 -0.001 0.000 0.325 556 Q C 0.072 176.073 176.000 0.001 0.000 1.372 556 Q CA 1.730 57.522 55.803 -0.018 0.000 0.909 556 Q CB -3.001 25.727 28.738 -0.017 0.000 1.167 556 Q HN 0.713 nan 8.270 nan 0.000 0.418 557 K N -1.093 119.313 120.400 0.010 0.000 2.640 557 K HA 0.836 5.155 4.320 -0.001 0.000 0.245 557 K C 0.018 176.646 176.600 0.047 0.000 0.962 557 K CA 0.350 56.652 56.287 0.026 0.000 0.896 557 K CB 0.573 33.087 32.500 0.024 0.000 1.147 557 K HN 1.849 nan 8.250 nan 0.000 0.445 558 K N 0.815 121.249 120.400 0.056 0.000 2.436 558 K HA 0.589 4.908 4.320 -0.001 0.000 0.275 558 K C 0.688 177.334 176.600 0.077 0.000 0.999 558 K CA 0.390 56.726 56.287 0.082 0.000 0.980 558 K CB 0.194 32.737 32.500 0.073 0.000 0.919 558 K HN 1.682 nan 8.250 nan 0.000 0.484 559 S N -1.348 114.412 115.700 0.100 0.000 2.751 559 S HA 0.620 5.090 4.470 -0.001 0.000 0.310 559 S C 1.062 175.682 174.600 0.035 0.000 1.128 559 S CA 0.310 58.553 58.200 0.072 0.000 0.931 559 S CB 1.262 64.521 63.200 0.098 0.000 1.177 559 S HN 0.963 nan 8.310 nan 0.000 0.530 560 D N -0.076 120.328 120.400 0.007 0.000 2.363 560 D HA 0.161 4.800 4.640 -0.001 0.000 0.226 560 D C 0.347 176.599 176.300 -0.080 0.000 1.020 560 D CA 0.052 54.037 54.000 -0.025 0.000 0.892 560 D CB -0.624 40.165 40.800 -0.017 0.000 0.900 560 D HN 0.459 nan 8.370 nan 0.000 0.531 561 N N 0.458 119.087 118.700 -0.118 0.000 2.530 561 N HA 0.466 5.205 4.740 -0.001 0.000 0.273 561 N C 0.072 175.266 175.510 -0.527 0.000 1.173 561 N CA 0.520 53.380 53.050 -0.316 0.000 0.967 561 N CB 1.466 39.753 38.487 -0.332 0.000 1.109 561 N HN 0.508 nan 8.380 nan 0.000 0.453 562 T N 1.413 115.617 114.554 -0.584 0.000 2.797 562 T HA 0.526 4.876 4.350 -0.001 0.000 0.279 562 T C -0.800 173.464 174.700 -0.726 0.000 0.991 562 T CA -0.497 61.298 62.100 -0.508 0.000 0.979 562 T CB 0.214 68.928 68.868 -0.257 0.000 0.943 562 T HN 0.291 nan 8.240 nan 0.000 0.444 563 Y N 2.351 122.528 120.300 -0.206 0.000 2.341 563 Y HA 0.454 5.003 4.550 -0.001 0.000 0.338 563 Y C 0.573 176.172 175.900 -0.502 0.000 0.965 563 Y CA -1.455 56.344 58.100 -0.503 0.000 1.108 563 Y CB 1.690 39.786 38.460 -0.607 0.000 1.180 563 Y HN 0.707 nan 8.280 nan 0.000 0.458 564 N N 4.162 122.583 118.700 -0.466 0.000 2.844 564 N HA 0.241 4.981 4.740 -0.001 0.000 0.268 564 N C -1.676 173.672 175.510 -0.270 0.000 1.574 564 N CA -0.168 52.717 53.050 -0.276 0.000 0.838 564 N CB 0.237 38.628 38.487 -0.160 0.000 1.177 564 N HN 0.360 nan 8.380 nan 0.000 0.495 565 F N 1.431 121.358 119.950 -0.040 0.000 2.389 565 F HA 0.226 4.753 4.527 -0.001 0.000 0.337 565 F C 1.296 177.068 175.800 -0.046 0.000 1.112 565 F CA -0.876 57.081 58.000 -0.071 0.000 1.192 565 F CB 0.420 39.329 39.000 -0.150 0.000 1.185 565 F HN 0.401 nan 8.300 nan 0.000 0.552 566 N N 0.838 119.638 118.700 0.167 0.000 2.317 566 N HA 0.015 4.754 4.740 -0.001 0.000 0.245 566 N C 0.625 176.178 175.510 0.071 0.000 1.294 566 N CA -0.239 52.861 53.050 0.084 0.000 0.924 566 N CB 0.392 38.912 38.487 0.056 0.000 1.186 566 N HN 0.461 nan 8.380 nan 0.000 0.495 567 E N -0.149 120.078 120.200 0.045 0.000 2.110 567 E HA -0.130 4.220 4.350 -0.001 0.000 0.193 567 E C 1.620 178.236 176.600 0.027 0.000 0.988 567 E CA 1.221 57.643 56.400 0.036 0.000 0.804 567 E CB -0.507 29.209 29.700 0.027 0.000 0.745 567 E HN 0.656 nan 8.360 nan 0.000 0.458 568 S N 0.401 116.113 115.700 0.020 0.000 2.357 568 S HA -0.081 4.389 4.470 -0.001 0.000 0.221 568 S C 2.119 176.718 174.600 -0.001 0.000 1.031 568 S CA 1.419 59.625 58.200 0.010 0.000 0.982 568 S CB -0.323 62.881 63.200 0.007 0.000 0.853 568 S HN 0.289 nan 8.310 nan 0.000 0.458 569 T N 2.563 117.108 114.554 -0.015 0.000 2.720 569 T HA -0.089 4.260 4.350 -0.001 0.000 0.268 569 T C 1.741 176.371 174.700 -0.117 0.000 1.037 569 T CA 1.167 63.215 62.100 -0.087 0.000 1.144 569 T CB -0.218 68.581 68.868 -0.114 0.000 0.864 569 T HN 0.384 nan 8.240 nan 0.000 0.444 570 K N 0.501 120.877 120.400 -0.041 0.000 2.057 570 K HA -0.008 4.311 4.320 -0.001 0.000 0.207 570 K C 2.235 178.849 176.600 0.023 0.000 1.049 570 K CA 1.177 57.456 56.287 -0.013 0.000 0.931 570 K CB -0.348 32.183 32.500 0.052 0.000 0.714 570 K HN 0.353 nan 8.250 nan 0.000 0.440 571 I N 0.726 121.314 120.570 0.032 0.000 2.142 571 I HA -0.286 3.883 4.170 -0.001 0.000 0.240 571 I C 2.130 178.300 176.117 0.087 0.000 1.078 571 I CA 1.057 62.388 61.300 0.051 0.000 1.343 571 I CB -0.201 37.817 38.000 0.031 0.000 1.046 571 I HN 0.045 nan 8.210 nan 0.000 0.405 572 L N 0.087 121.354 121.223 0.074 0.000 2.093 572 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 572 L C 2.342 179.317 176.870 0.175 0.000 1.085 572 L CA 1.558 56.478 54.840 0.134 0.000 0.755 572 L CB -0.484 41.629 42.059 0.090 0.000 0.904 572 L HN 0.186 nan 8.230 nan 0.000 0.435 573 L N -0.891 120.387 121.223 0.092 0.000 2.093 573 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 573 L C 2.258 179.268 176.870 0.232 0.000 1.085 573 L CA 0.832 55.770 54.840 0.162 0.000 0.755 573 L CB -0.602 41.456 42.059 -0.000 0.000 0.904 573 L HN 0.354 nan 8.230 nan 0.000 0.435 574 N N -0.564 118.243 118.700 0.179 0.000 2.120 574 N HA -0.245 4.494 4.740 -0.001 0.000 0.188 574 N C 1.743 177.357 175.510 0.174 0.000 1.024 574 N CA 1.333 54.482 53.050 0.165 0.000 0.852 574 N CB -0.391 38.178 38.487 0.136 0.000 1.003 574 N HN 0.310 nan 8.380 nan 0.000 0.424 575 Y N 0.624 120.966 120.300 0.070 0.000 2.163 575 Y HA -0.209 4.341 4.550 -0.001 0.000 0.288 575 Y C 2.386 178.311 175.900 0.042 0.000 1.136 575 Y CA 1.161 59.289 58.100 0.047 0.000 1.147 575 Y CB -0.992 37.498 38.460 0.049 0.000 0.987 575 Y HN 0.075 nan 8.280 nan 0.000 0.509 576 Y N 0.426 120.647 120.300 -0.132 0.000 2.151 576 Y HA -0.241 4.309 4.550 -0.001 0.000 0.284 576 Y C 1.823 177.570 175.900 -0.254 0.000 1.166 576 Y CA 2.138 60.092 58.100 -0.244 0.000 1.163 576 Y CB -0.471 37.939 38.460 -0.083 0.000 0.974 576 Y HN 0.187 nan 8.280 nan 0.000 0.511 577 L N -0.102 121.019 121.223 -0.170 0.000 2.558 577 L HA 0.076 4.416 4.340 -0.001 0.000 0.225 577 L C 1.153 177.904 176.870 -0.199 0.000 1.128 577 L CA 0.272 54.981 54.840 -0.219 0.000 0.868 577 L CB -0.407 41.630 42.059 -0.037 0.000 1.006 577 L HN 0.171 nan 8.230 nan 0.000 0.454 578 S N 0.000 115.596 115.700 -0.174 0.000 2.498 578 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 578 S CA 0.000 58.131 58.200 -0.116 0.000 1.107 578 S CB 0.000 63.189 63.200 -0.018 0.000 0.593 578 S HN 0.000 nan 8.310 nan 0.000 0.517