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 2gak_1_B DATA FIRST_RESID 44 DATA SEQUENCE RHLELXXXXX XXNVNCTKIL QGDPEEIQKV KXXXXXXXXX XRPRWTPHDY DATA SEQUENCE INMTRDcASF IRTRKYIVEP LTKEEVGFPI AYSIVVHHKI EMLDRLLRAI DATA SEQUENCE YMPQNFYcIH VDRKAEESFL AAVQGIAScF DNVFVASQLE SVVYASWTRV DATA SEQUENCE KADLNcMKDL YRMNANWKYL INLCGMDFPI KTNLEIVRKL KCSTGENNLE DATA SEQUENCE TEKMPPNKEE RWKKRYAVVD GKLTNTGIVK APPPLKTPLF SGSAYFVVTR DATA SEQUENCE EYVGYVLENE NIQKLMEWAQ DTYSPDEFLW ATIQRIPEVP GSFPSSNKYD DATA SEQUENCE LSDMNAIARF VKWQYFEGDV SNGAPYPPcS GVHVRSVcVF GAGDLSWMLR DATA SEQUENCE QHHLFANKFD MDVDPFAIQC LDEHLRRKAL E 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 44 R HA 0.000 nan 4.340 nan 0.000 0.208 44 R C 0.000 176.321 176.300 0.034 0.000 0.893 44 R CA 0.000 56.125 56.100 0.041 0.000 0.921 44 R CB 0.000 30.315 30.300 0.026 0.000 0.687 45 H N 0.771 119.834 119.070 -0.012 0.000 2.518 45 H HA 0.032 4.588 4.556 -0.000 0.000 0.289 45 H C 1.236 176.556 175.328 -0.013 0.000 1.051 45 H CA 0.838 56.879 56.048 -0.011 0.000 1.280 45 H CB 0.238 29.995 29.762 -0.008 0.000 1.380 45 H HN 0.222 nan 8.280 nan 0.000 0.566 46 L N 0.527 121.441 121.223 -0.514 0.000 2.640 46 L HA 0.162 4.502 4.340 -0.000 0.000 0.230 46 L C 0.588 177.345 176.870 -0.188 0.000 1.123 46 L CA -0.092 54.526 54.840 -0.371 0.000 0.900 46 L CB 0.233 42.031 42.059 -0.434 0.000 1.146 46 L HN 0.117 nan 8.230 nan 0.000 0.484 47 E N 0.763 120.881 120.200 -0.136 0.000 2.404 47 E HA 0.207 4.557 4.350 -0.000 0.000 0.261 47 E C -0.405 176.151 176.600 -0.074 0.000 1.074 47 E CA -0.064 56.282 56.400 -0.090 0.000 0.917 47 E CB 1.052 30.715 29.700 -0.061 0.000 0.965 47 E HN 0.174 nan 8.360 nan 0.000 0.433 57 V N 1.108 121.129 119.914 0.178 0.000 2.539 57 V HA 0.394 4.514 4.120 -0.000 0.000 0.292 57 V C 0.047 176.203 176.094 0.102 0.000 1.045 57 V CA -0.831 61.575 62.300 0.177 0.000 0.945 57 V CB 1.636 33.668 31.823 0.349 0.000 0.993 57 V HN 0.459 nan 8.190 nan 0.000 0.464 58 N N 2.968 121.707 118.700 0.065 0.000 2.402 58 N HA 0.034 4.774 4.740 -0.000 0.000 0.259 58 N C 0.977 176.510 175.510 0.039 0.000 1.167 58 N CA -0.044 53.029 53.050 0.038 0.000 0.949 58 N CB 0.977 39.478 38.487 0.023 0.000 1.212 58 N HN 0.774 nan 8.380 nan 0.000 0.493 59 C N 1.676 120.995 119.300 0.031 0.000 2.429 59 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 59 C C 2.747 177.738 174.990 0.001 0.000 1.262 59 C CA 1.607 60.638 59.018 0.022 0.000 1.733 59 C CB -1.240 26.506 27.740 0.010 0.000 2.010 59 C HN 0.879 nan 8.230 nan 0.000 0.483 60 T N -0.002 114.552 114.554 0.001 0.000 2.720 60 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 60 T C 1.613 176.304 174.700 -0.015 0.000 1.037 60 T CA 1.624 63.718 62.100 -0.010 0.000 1.144 60 T CB -0.406 68.462 68.868 0.000 0.000 0.864 60 T HN 0.605 nan 8.240 nan 0.000 0.444 61 K N 0.338 120.736 120.400 -0.004 0.000 2.097 61 K HA 0.067 4.387 4.320 -0.000 0.000 0.205 61 K C 2.304 178.900 176.600 -0.006 0.000 1.050 61 K CA 1.038 57.323 56.287 -0.003 0.000 0.938 61 K CB -0.222 32.280 32.500 0.003 0.000 0.718 61 K HN 0.302 nan 8.250 nan 0.000 0.442 62 I N 1.434 122.004 120.570 -0.000 0.000 2.179 62 I HA -0.232 3.938 4.170 -0.000 0.000 0.242 62 I C 2.182 178.285 176.117 -0.023 0.000 1.088 62 I CA 1.493 62.794 61.300 0.001 0.000 1.357 62 I CB -0.888 37.127 38.000 0.025 0.000 1.051 62 I HN 0.176 nan 8.210 nan 0.000 0.409 63 L N -0.099 121.091 121.223 -0.055 0.000 2.201 63 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 63 L C 2.220 179.037 176.870 -0.088 0.000 1.105 63 L CA 0.952 55.724 54.840 -0.114 0.000 0.775 63 L CB -0.497 41.440 42.059 -0.203 0.000 0.913 63 L HN 0.338 nan 8.230 nan 0.000 0.440 64 Q N -0.139 119.630 119.800 -0.051 0.000 2.403 64 Q HA 0.087 4.427 4.340 -0.000 0.000 0.203 64 Q C 1.269 177.263 176.000 -0.011 0.000 0.932 64 Q CA 0.513 56.296 55.803 -0.033 0.000 0.945 64 Q CB 0.470 29.194 28.738 -0.022 0.000 1.045 64 Q HN 0.579 nan 8.270 nan 0.000 0.511 65 G N 2.206 111.002 108.800 -0.006 0.000 2.147 65 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.244 65 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.244 65 G C -0.282 174.625 174.900 0.011 0.000 1.005 65 G CA 0.214 45.322 45.100 0.013 0.000 0.713 65 G HN 0.408 nan 8.290 nan 0.000 0.515 66 D N 0.496 120.898 120.400 0.003 0.000 2.426 66 D HA 0.173 4.813 4.640 -0.000 0.000 0.261 66 D C -0.190 176.110 176.300 0.001 0.000 1.245 66 D CA -1.135 52.867 54.000 0.002 0.000 0.917 66 D CB 0.849 41.649 40.800 -0.000 0.000 1.123 66 D HN 0.172 nan 8.370 nan 0.000 0.508 67 P HA -0.168 nan 4.420 nan 0.000 0.216 67 P C 1.092 178.388 177.300 -0.007 0.000 1.150 67 P CA 0.957 64.057 63.100 -0.001 0.000 0.843 67 P CB 0.352 32.053 31.700 0.002 0.000 0.787 68 E N -0.149 120.047 120.200 -0.007 0.000 2.038 68 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 68 E C 1.890 178.480 176.600 -0.016 0.000 1.000 68 E CA 1.203 57.596 56.400 -0.010 0.000 0.803 68 E CB -0.831 28.865 29.700 -0.007 0.000 0.750 68 E HN 0.365 nan 8.360 nan 0.000 0.448 69 E N 0.517 120.709 120.200 -0.013 0.000 2.107 69 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 69 E C 2.234 178.814 176.600 -0.033 0.000 0.982 69 E CA 0.209 56.598 56.400 -0.018 0.000 0.809 69 E CB -0.166 29.532 29.700 -0.003 0.000 0.756 69 E HN 0.216 nan 8.360 nan 0.000 0.459 70 I N 1.606 122.161 120.570 -0.024 0.000 2.151 70 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 70 I C 2.351 178.437 176.117 -0.051 0.000 1.080 70 I CA 1.522 62.804 61.300 -0.030 0.000 1.339 70 I CB -1.302 36.690 38.000 -0.014 0.000 1.039 70 I HN 0.197 nan 8.210 nan 0.000 0.409 71 Q N 0.380 120.154 119.800 -0.043 0.000 2.046 71 Q HA -0.226 4.114 4.340 -0.000 0.000 0.200 71 Q C 2.291 178.248 176.000 -0.072 0.000 0.975 71 Q CA 1.453 57.227 55.803 -0.050 0.000 0.836 71 Q CB -0.265 28.452 28.738 -0.035 0.000 0.896 71 Q HN 0.451 nan 8.270 nan 0.000 0.428 72 K N 0.667 121.026 120.400 -0.068 0.000 2.127 72 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 72 K C 1.843 178.354 176.600 -0.150 0.000 1.047 72 K CA 1.519 57.756 56.287 -0.083 0.000 0.927 72 K CB 0.064 32.529 32.500 -0.058 0.000 0.716 72 K HN 0.052 nan 8.250 nan 0.000 0.450 73 V N 0.446 120.245 119.914 -0.192 0.000 2.446 73 V HA -0.066 4.054 4.120 -0.000 0.000 0.244 73 V C 1.393 177.297 176.094 -0.317 0.000 1.039 73 V CA 1.037 63.116 62.300 -0.369 0.000 1.045 73 V CB -0.198 31.407 31.823 -0.362 0.000 0.681 73 V HN 0.216 nan 8.190 nan 0.000 0.459 86 P HA 0.146 nan 4.420 nan 0.000 0.265 86 P C -1.158 176.057 177.300 -0.141 0.000 1.187 86 P CA -0.207 62.834 63.100 -0.099 0.000 0.766 86 P CB 0.492 32.116 31.700 -0.127 0.000 0.820 87 R N 2.044 122.463 120.500 -0.134 0.000 2.808 87 R HA 0.139 4.479 4.340 -0.000 0.000 0.254 87 R C -1.409 174.903 176.300 0.020 0.000 1.145 87 R CA -0.691 55.335 56.100 -0.124 0.000 1.066 87 R CB 0.528 30.811 30.300 -0.028 0.000 1.268 87 R HN 0.360 nan 8.270 nan 0.000 0.447 88 W N 3.297 124.652 121.300 0.092 0.000 2.193 88 W HA 0.110 4.769 4.660 -0.000 0.000 0.338 88 W C 0.854 177.496 176.519 0.205 0.000 1.310 88 W CA 0.139 57.551 57.345 0.112 0.000 1.243 88 W CB 0.896 30.387 29.460 0.051 0.000 1.165 88 W HN 0.627 nan 8.180 nan 0.000 0.566 89 T N -0.279 114.534 114.554 0.432 0.000 2.937 89 T HA 0.362 4.712 4.350 -0.000 0.000 0.283 89 T C -1.839 173.102 174.700 0.401 0.000 1.012 89 T CA -1.933 60.379 62.100 0.354 0.000 0.997 89 T CB 2.122 71.151 68.868 0.268 0.000 1.136 89 T HN -0.033 nan 8.240 nan 0.000 0.551 90 P HA -0.125 nan 4.420 nan 0.000 0.216 90 P C 1.009 178.391 177.300 0.136 0.000 1.150 90 P CA 1.403 64.638 63.100 0.226 0.000 0.843 90 P CB -0.133 31.673 31.700 0.177 0.000 0.787 91 H N -1.299 117.844 119.070 0.123 0.000 2.423 91 H HA -0.085 4.471 4.556 -0.000 0.000 0.297 91 H C 1.703 177.055 175.328 0.040 0.000 1.075 91 H CA 1.335 57.424 56.048 0.068 0.000 1.342 91 H CB -0.723 29.074 29.762 0.059 0.000 1.395 91 H HN 0.173 nan 8.280 nan 0.000 0.530 92 D N -0.268 120.234 120.400 0.170 0.000 2.117 92 D HA -0.157 4.483 4.640 -0.000 0.000 0.198 92 D C 1.672 177.857 176.300 -0.192 0.000 0.982 92 D CA 1.134 55.129 54.000 -0.008 0.000 0.828 92 D CB -0.271 40.539 40.800 0.017 0.000 0.967 92 D HN 0.414 nan 8.370 nan 0.000 0.464 93 Y N 1.181 121.409 120.300 -0.122 0.000 2.200 93 Y HA -0.069 4.481 4.550 -0.000 0.000 0.290 93 Y C 2.513 178.261 175.900 -0.254 0.000 1.137 93 Y CA 0.518 58.489 58.100 -0.214 0.000 1.163 93 Y CB -0.253 38.110 38.460 -0.162 0.000 0.988 93 Y HN -0.078 nan 8.280 nan 0.000 0.518 94 I N 0.088 120.627 120.570 -0.051 0.000 2.194 94 I HA -0.382 3.788 4.170 -0.000 0.000 0.246 94 I C 2.258 178.294 176.117 -0.135 0.000 1.093 94 I CA 1.958 63.183 61.300 -0.126 0.000 1.355 94 I CB -0.364 37.546 38.000 -0.151 0.000 1.046 94 I HN 0.298 nan 8.210 nan 0.000 0.413 95 N N 1.171 119.805 118.700 -0.110 0.000 2.173 95 N HA -0.182 4.558 4.740 -0.000 0.000 0.184 95 N C 1.944 177.363 175.510 -0.150 0.000 1.025 95 N CA 1.315 54.302 53.050 -0.105 0.000 0.852 95 N CB -0.253 38.196 38.487 -0.064 0.000 0.998 95 N HN 0.195 nan 8.380 nan 0.000 0.427 96 M N 0.193 119.666 119.600 -0.210 0.000 2.202 96 M HA -0.143 4.337 4.480 -0.000 0.000 0.262 96 M C 1.132 177.304 176.300 -0.213 0.000 1.063 96 M CA 1.926 57.089 55.300 -0.229 0.000 1.097 96 M CB -0.342 32.019 32.600 -0.398 0.000 1.382 96 M HN 0.421 nan 8.290 nan 0.000 0.413 97 T N -2.727 111.612 114.554 -0.357 0.000 3.100 97 T HA 0.083 4.432 4.350 -0.000 0.000 0.253 97 T C 1.644 176.169 174.700 -0.293 0.000 1.118 97 T CA -0.110 61.693 62.100 -0.496 0.000 1.058 97 T CB -0.285 68.179 68.868 -0.674 0.000 0.953 97 T HN 0.359 nan 8.240 nan 0.000 0.515 98 R N 1.804 122.184 120.500 -0.200 0.000 2.117 98 R HA -0.027 4.312 4.340 -0.000 0.000 0.243 98 R C 0.490 176.714 176.300 -0.127 0.000 1.143 98 R CA 1.259 57.272 56.100 -0.145 0.000 0.968 98 R CB -0.640 29.596 30.300 -0.107 0.000 0.863 98 R HN 0.474 nan 8.270 nan 0.000 0.444 99 D N -0.126 120.207 120.400 -0.112 0.000 2.493 99 D HA 0.091 4.731 4.640 -0.000 0.000 0.235 99 D C 0.708 176.960 176.300 -0.080 0.000 1.117 99 D CA -0.336 53.614 54.000 -0.084 0.000 0.930 99 D CB 0.272 41.038 40.800 -0.057 0.000 1.010 99 D HN -0.048 nan 8.370 nan 0.000 0.514 100 c N 2.717 121.241 118.600 -0.127 0.000 2.401 100 c HA -0.135 4.435 4.570 -0.000 0.000 0.276 100 c C 2.713 176.744 174.090 -0.098 0.000 1.233 100 c CA 1.178 57.412 56.329 -0.158 0.000 1.753 100 c CB -1.031 41.325 42.510 -0.257 0.000 2.029 100 c HN 0.791 nan 8.230 nan 0.000 0.478 101 A N 1.257 124.026 122.820 -0.086 0.000 1.908 101 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 101 A C 2.303 179.867 177.584 -0.034 0.000 1.181 101 A CA 2.728 54.730 52.037 -0.059 0.000 0.627 101 A CB -0.871 18.101 19.000 -0.047 0.000 0.818 101 A HN 0.741 nan 8.150 nan 0.000 0.445 102 S N -1.362 114.325 115.700 -0.021 0.000 2.371 102 S HA -0.112 4.357 4.470 -0.000 0.000 0.224 102 S C 1.850 176.446 174.600 -0.006 0.000 1.029 102 S CA 1.204 59.396 58.200 -0.014 0.000 0.978 102 S CB -0.775 62.416 63.200 -0.016 0.000 0.833 102 S HN 0.540 nan 8.310 nan 0.000 0.466 103 F N 2.785 122.651 119.950 -0.140 0.000 2.069 103 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 103 F C 1.993 177.738 175.800 -0.092 0.000 1.113 103 F CA 1.367 59.274 58.000 -0.154 0.000 1.214 103 F CB -0.547 38.325 39.000 -0.213 0.000 0.978 103 F HN 0.143 nan 8.300 nan 0.000 0.474 104 I N 0.136 120.636 120.570 -0.117 0.000 2.208 104 I HA -0.333 3.837 4.170 -0.000 0.000 0.245 104 I C 2.730 178.810 176.117 -0.060 0.000 1.097 104 I CA 1.803 63.023 61.300 -0.133 0.000 1.363 104 I CB -0.567 37.385 38.000 -0.081 0.000 1.051 104 I HN 0.183 nan 8.210 nan 0.000 0.413 105 R N 0.863 121.334 120.500 -0.049 0.000 2.062 105 R HA -0.171 4.169 4.340 -0.000 0.000 0.231 105 R C 2.497 178.775 176.300 -0.037 0.000 1.136 105 R CA 2.312 58.402 56.100 -0.016 0.000 0.948 105 R CB -0.445 29.852 30.300 -0.004 0.000 0.845 105 R HN 0.460 nan 8.270 nan 0.000 0.430 106 T N -0.939 113.571 114.554 -0.073 0.000 2.788 106 T HA -0.049 4.301 4.350 -0.000 0.000 0.268 106 T C 1.922 176.566 174.700 -0.093 0.000 1.044 106 T CA 0.708 62.766 62.100 -0.070 0.000 1.139 106 T CB -0.226 68.596 68.868 -0.076 0.000 0.867 106 T HN 0.187 nan 8.240 nan 0.000 0.454 107 R N 1.377 121.753 120.500 -0.206 0.000 2.236 107 R HA 0.155 4.495 4.340 -0.000 0.000 0.208 107 R C 0.552 176.803 176.300 -0.081 0.000 1.036 107 R CA 0.318 56.310 56.100 -0.181 0.000 1.001 107 R CB -0.305 29.739 30.300 -0.427 0.000 0.896 107 R HN 0.575 nan 8.270 nan 0.000 0.464 108 K N -0.181 120.195 120.400 -0.040 0.000 3.161 108 K HA -0.195 4.125 4.320 -0.000 0.000 0.270 108 K C -0.954 175.634 176.600 -0.021 0.000 1.115 108 K CA 0.380 56.649 56.287 -0.030 0.000 0.789 108 K CB -1.927 30.530 32.500 -0.071 0.000 1.256 108 K HN 0.186 nan 8.250 nan 0.000 0.492 109 Y N 0.464 120.710 120.300 -0.091 0.000 2.397 109 Y HA 0.129 4.679 4.550 -0.000 0.000 0.335 109 Y C 1.422 177.346 175.900 0.039 0.000 1.213 109 Y CA -0.808 57.267 58.100 -0.041 0.000 1.391 109 Y CB 0.579 39.015 38.460 -0.041 0.000 1.293 109 Y HN 0.064 nan 8.280 nan 0.000 0.557 110 I N 4.732 125.435 120.570 0.223 0.000 2.301 110 I HA 0.033 4.203 4.170 -0.000 0.000 0.292 110 I C 0.564 176.870 176.117 0.314 0.000 1.046 110 I CA -0.294 61.115 61.300 0.181 0.000 1.282 110 I CB 0.668 38.718 38.000 0.083 0.000 1.409 110 I HN 0.517 nan 8.210 nan 0.000 0.484 111 V N 2.345 122.416 119.914 0.262 0.000 3.271 111 V HA 0.434 4.553 4.120 -0.000 0.000 0.327 111 V C 0.309 176.512 176.094 0.181 0.000 1.389 111 V CA 0.032 62.514 62.300 0.302 0.000 1.156 111 V CB -0.263 31.722 31.823 0.270 0.000 1.103 111 V HN 0.596 nan 8.190 nan 0.000 0.453 112 E N 1.225 121.500 120.200 0.124 0.000 2.275 112 E HA 0.495 4.844 4.350 -0.000 0.000 0.270 112 E C -3.005 173.624 176.600 0.048 0.000 0.882 112 E CA -1.864 54.583 56.400 0.078 0.000 0.758 112 E CB 2.689 32.431 29.700 0.069 0.000 1.195 112 E HN 0.166 nan 8.360 nan 0.000 0.419 113 P HA 0.039 nan 4.420 nan 0.000 0.266 113 P C 0.621 177.931 177.300 0.016 0.000 1.195 113 P CA -0.183 62.927 63.100 0.016 0.000 0.768 113 P CB 0.670 32.381 31.700 0.018 0.000 0.838 114 L N 0.906 122.132 121.223 0.006 0.000 2.209 114 L HA 0.107 4.447 4.340 -0.000 0.000 0.207 114 L C 1.282 178.154 176.870 0.003 0.000 1.094 114 L CA 1.599 56.439 54.840 0.001 0.000 0.790 114 L CB -0.902 41.148 42.059 -0.014 0.000 0.932 114 L HN 0.497 nan 8.230 nan 0.000 0.447 115 T N -5.926 108.632 114.554 0.006 0.000 2.883 115 T HA 0.310 4.660 4.350 -0.000 0.000 0.301 115 T C 0.575 175.287 174.700 0.020 0.000 1.158 115 T CA -0.844 61.261 62.100 0.008 0.000 1.007 115 T CB 1.702 70.570 68.868 -0.000 0.000 1.186 115 T HN -0.118 nan 8.240 nan 0.000 0.499 116 K N 0.299 120.712 120.400 0.021 0.000 2.148 116 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 116 K C 2.027 178.653 176.600 0.043 0.000 1.050 116 K CA 1.355 57.660 56.287 0.031 0.000 0.942 116 K CB -0.027 32.489 32.500 0.027 0.000 0.724 116 K HN 0.806 nan 8.250 nan 0.000 0.446 117 E N 1.561 121.782 120.200 0.034 0.000 2.077 117 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 117 E C 1.513 178.159 176.600 0.077 0.000 0.989 117 E CA 1.318 57.744 56.400 0.043 0.000 0.800 117 E CB 0.185 29.889 29.700 0.007 0.000 0.746 117 E HN 0.312 nan 8.360 nan 0.000 0.452 118 E N -0.247 119.988 120.200 0.059 0.000 2.152 118 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 118 E C 2.147 178.812 176.600 0.108 0.000 0.983 118 E CA 0.927 57.379 56.400 0.086 0.000 0.818 118 E CB 0.208 29.934 29.700 0.043 0.000 0.758 118 E HN 0.136 nan 8.360 nan 0.000 0.467 119 V N 0.757 120.717 119.914 0.076 0.000 2.407 119 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 119 V C 2.172 178.322 176.094 0.093 0.000 1.055 119 V CA 1.921 64.262 62.300 0.068 0.000 1.049 119 V CB -0.574 31.279 31.823 0.050 0.000 0.662 119 V HN 0.399 nan 8.190 nan 0.000 0.455 120 G N -2.359 106.510 108.800 0.116 0.000 2.920 120 G HA2 -0.049 3.910 3.960 -0.000 0.000 0.208 120 G HA3 -0.049 3.910 3.960 -0.000 0.000 0.208 120 G C 0.331 175.347 174.900 0.192 0.000 1.159 120 G CA -0.012 45.166 45.100 0.129 0.000 0.784 120 G HN 0.465 nan 8.290 nan 0.000 0.535 121 F N 1.409 121.394 119.950 0.060 0.000 2.660 121 F HA 0.419 4.945 4.527 -0.000 0.000 0.352 121 F C -2.502 173.358 175.800 0.100 0.000 1.257 121 F CA -2.438 55.611 58.000 0.082 0.000 1.200 121 F CB 1.999 41.038 39.000 0.065 0.000 1.473 121 F HN -0.134 nan 8.300 nan 0.000 0.561 122 P HA 0.248 nan 4.420 nan 0.000 0.271 122 P C -0.556 176.845 177.300 0.167 0.000 1.216 122 P CA 0.280 63.467 63.100 0.145 0.000 0.776 122 P CB 1.115 32.955 31.700 0.233 0.000 0.881 123 I N 1.432 122.073 120.570 0.120 0.000 2.569 123 I HA 0.624 4.794 4.170 -0.000 0.000 0.296 123 I C -0.020 175.959 176.117 -0.230 0.000 1.028 123 I CA -0.986 60.314 61.300 0.001 0.000 1.082 123 I CB 2.136 40.096 38.000 -0.068 0.000 1.264 123 I HN 0.284 nan 8.210 nan 0.000 0.429 124 A N 5.410 127.952 122.820 -0.465 0.000 2.340 124 A HA 0.817 5.137 4.320 -0.000 0.000 0.331 124 A C -1.636 175.504 177.584 -0.739 0.000 1.140 124 A CA -0.294 51.309 52.037 -0.723 0.000 0.801 124 A CB 0.814 18.889 19.000 -1.542 0.000 1.234 124 A HN 0.610 nan 8.150 nan 0.000 0.469 125 Y N 0.169 120.197 120.300 -0.453 0.000 2.462 125 Y HA 0.563 5.113 4.550 -0.000 0.000 0.346 125 Y C 0.482 176.247 175.900 -0.224 0.000 0.976 125 Y CA -0.326 57.594 58.100 -0.300 0.000 1.044 125 Y CB 2.602 40.931 38.460 -0.219 0.000 1.230 125 Y HN 0.593 nan 8.280 nan 0.000 0.455 126 S N 4.347 120.039 115.700 -0.013 0.000 2.566 126 S HA 0.623 5.093 4.470 -0.000 0.000 0.324 126 S C -1.112 173.481 174.600 -0.012 0.000 1.081 126 S CA -0.472 57.711 58.200 -0.027 0.000 1.105 126 S CB -0.263 62.919 63.200 -0.031 0.000 0.981 126 S HN 0.547 nan 8.310 nan 0.000 0.464 127 I N 5.208 125.784 120.570 0.010 0.000 2.328 127 I HA 0.365 4.535 4.170 -0.000 0.000 0.287 127 I C -0.638 175.526 176.117 0.078 0.000 1.012 127 I CA -0.905 60.408 61.300 0.022 0.000 1.195 127 I CB 1.762 39.770 38.000 0.013 0.000 1.350 127 I HN 0.267 nan 8.210 nan 0.000 0.464 128 V N 7.671 127.640 119.914 0.091 0.000 2.348 128 V HA 0.393 4.513 4.120 -0.000 0.000 0.270 128 V C 0.218 176.436 176.094 0.207 0.000 1.037 128 V CA -0.430 61.963 62.300 0.155 0.000 0.872 128 V CB 1.296 33.161 31.823 0.071 0.000 1.002 128 V HN 0.572 nan 8.190 nan 0.000 0.464 129 V N 2.457 122.535 119.914 0.273 0.000 3.141 129 V HA 0.775 4.895 4.120 -0.000 0.000 0.312 129 V C -0.010 176.299 176.094 0.359 0.000 1.157 129 V CA -0.268 62.212 62.300 0.300 0.000 1.041 129 V CB 2.036 34.051 31.823 0.320 0.000 1.071 129 V HN 0.931 nan 8.190 nan 0.000 0.441 130 H N -1.164 117.968 119.070 0.103 0.000 3.943 130 H HA 0.509 5.065 4.556 -0.000 0.000 0.265 130 H C 0.156 175.108 175.328 -0.627 0.000 1.133 130 H CA 0.531 56.512 56.048 -0.111 0.000 1.188 130 H CB 0.107 29.793 29.762 -0.127 0.000 1.486 130 H HN 1.159 nan 8.280 nan 0.000 0.795 131 H N -0.454 117.755 119.070 -1.434 0.000 2.863 131 H HA 0.336 4.891 4.556 -0.000 0.000 0.274 131 H C -1.078 173.781 175.328 -0.782 0.000 1.457 131 H CA -1.157 53.990 56.048 -1.500 0.000 1.151 131 H CB 0.333 29.609 29.762 -0.811 0.000 1.844 131 H HN 0.127 nan 8.280 nan 0.000 0.562 132 K N 0.472 120.541 120.400 -0.551 0.000 4.361 132 K HA -0.169 4.151 4.320 -0.000 0.000 0.294 132 K C 0.592 177.240 176.600 0.081 0.000 0.970 132 K CA 0.682 56.803 56.287 -0.276 0.000 0.913 132 K CB -1.014 31.183 32.500 -0.505 0.000 1.583 132 K HN 0.501 nan 8.250 nan 0.000 0.438 133 I N 1.408 122.145 120.570 0.278 0.000 2.264 133 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 133 I C 2.297 178.353 176.117 -0.102 0.000 1.111 133 I CA 1.988 63.362 61.300 0.124 0.000 1.382 133 I CB -0.089 37.882 38.000 -0.048 0.000 1.060 133 I HN 0.567 nan 8.210 nan 0.000 0.418 134 E N -0.283 119.961 120.200 0.074 0.000 2.110 134 E HA -0.238 4.111 4.350 -0.000 0.000 0.193 134 E C 2.251 178.931 176.600 0.133 0.000 0.988 134 E CA 1.309 57.836 56.400 0.211 0.000 0.804 134 E CB -0.096 29.792 29.700 0.312 0.000 0.745 134 E HN 0.508 nan 8.360 nan 0.000 0.458 135 M N 0.065 119.711 119.600 0.075 0.000 2.175 135 M HA -0.124 4.355 4.480 -0.000 0.000 0.264 135 M C 2.368 178.723 176.300 0.091 0.000 1.063 135 M CA 0.657 56.003 55.300 0.076 0.000 1.119 135 M CB -0.166 32.456 32.600 0.037 0.000 1.377 135 M HN 0.224 nan 8.290 nan 0.000 0.415 136 L N 0.999 122.263 121.223 0.067 0.000 2.027 136 L HA -0.193 4.147 4.340 -0.000 0.000 0.206 136 L C 1.870 178.755 176.870 0.024 0.000 1.074 136 L CA 2.227 57.096 54.840 0.050 0.000 0.745 136 L CB -0.822 41.267 42.059 0.050 0.000 0.898 136 L HN 0.230 nan 8.230 nan 0.000 0.433 137 D N -0.643 119.764 120.400 0.013 0.000 2.104 137 D HA -0.268 4.372 4.640 -0.000 0.000 0.194 137 D C 2.391 178.765 176.300 0.122 0.000 0.994 137 D CA 1.553 55.629 54.000 0.126 0.000 0.830 137 D CB -0.096 40.831 40.800 0.211 0.000 0.959 137 D HN 0.298 nan 8.370 nan 0.000 0.452 138 R N -0.851 119.727 120.500 0.130 0.000 2.075 138 R HA -0.086 4.254 4.340 -0.000 0.000 0.232 138 R C 2.273 178.630 176.300 0.094 0.000 1.126 138 R CA 1.018 57.192 56.100 0.123 0.000 0.963 138 R CB -0.372 30.033 30.300 0.175 0.000 0.858 138 R HN 0.269 nan 8.270 nan 0.000 0.435 139 L N 0.807 122.084 121.223 0.089 0.000 2.027 139 L HA -0.129 4.210 4.340 -0.000 0.000 0.206 139 L C 1.943 178.688 176.870 -0.210 0.000 1.074 139 L CA 1.634 56.424 54.840 -0.083 0.000 0.745 139 L CB -0.696 41.359 42.059 -0.006 0.000 0.898 139 L HN 0.245 nan 8.230 nan 0.000 0.433 140 L N -0.291 120.845 121.223 -0.145 0.000 1.989 140 L HA -0.286 4.053 4.340 -0.000 0.000 0.211 140 L C 2.876 179.564 176.870 -0.303 0.000 1.071 140 L CA 2.108 56.824 54.840 -0.207 0.000 0.749 140 L CB -0.431 41.573 42.059 -0.091 0.000 0.890 140 L HN 0.427 nan 8.230 nan 0.000 0.431 141 R N -0.256 119.984 120.500 -0.433 0.000 2.091 141 R HA -0.205 4.135 4.340 -0.000 0.000 0.238 141 R C 2.140 178.170 176.300 -0.450 0.000 1.136 141 R CA 1.603 57.206 56.100 -0.828 0.000 0.959 141 R CB -0.257 29.472 30.300 -0.953 0.000 0.856 141 R HN 0.469 nan 8.270 nan 0.000 0.437 142 A N 1.187 123.796 122.820 -0.352 0.000 2.019 142 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 142 A C 2.025 179.422 177.584 -0.312 0.000 1.164 142 A CA 1.530 53.359 52.037 -0.346 0.000 0.644 142 A CB -0.449 18.204 19.000 -0.578 0.000 0.805 142 A HN 0.629 nan 8.150 nan 0.000 0.449 143 I N -5.787 114.606 120.570 -0.294 0.000 4.057 143 I HA 0.314 4.484 4.170 -0.000 0.000 0.334 143 I C 0.668 176.722 176.117 -0.106 0.000 1.308 143 I CA -0.598 60.582 61.300 -0.199 0.000 1.125 143 I CB -0.044 37.775 38.000 -0.301 0.000 1.034 143 I HN 0.134 nan 8.210 nan 0.000 0.401 144 Y N 3.679 123.774 120.300 -0.342 0.000 2.442 144 Y HA 0.500 5.050 4.550 -0.000 0.000 0.330 144 Y C -0.159 175.679 175.900 -0.104 0.000 1.129 144 Y CA 0.346 58.212 58.100 -0.391 0.000 1.365 144 Y CB 0.511 38.673 38.460 -0.497 0.000 1.233 144 Y HN 0.083 nan 8.280 nan 0.000 0.529 145 M N 7.882 126.965 119.600 -0.862 0.000 2.470 145 M HA 0.233 4.713 4.480 -0.000 0.000 0.285 145 M C -2.128 173.692 176.300 -0.800 0.000 1.213 145 M CA -2.453 52.523 55.300 -0.541 0.000 0.901 145 M CB 1.875 34.376 32.600 -0.165 0.000 1.718 145 M HN 0.299 nan 8.290 nan 0.000 0.469 146 P HA -0.158 nan 4.420 nan 0.000 0.218 146 P C 1.203 178.390 177.300 -0.189 0.000 1.149 146 P CA 1.328 64.330 63.100 -0.164 0.000 0.817 146 P CB 0.127 31.847 31.700 0.033 0.000 0.785 147 Q N -0.374 119.318 119.800 -0.180 0.000 2.432 147 Q HA 0.012 4.352 4.340 -0.000 0.000 0.205 147 Q C 0.321 176.114 176.000 -0.346 0.000 0.945 147 Q CA 0.802 56.493 55.803 -0.187 0.000 0.924 147 Q CB -0.895 27.809 28.738 -0.057 0.000 1.016 147 Q HN 0.380 nan 8.270 nan 0.000 0.503 148 N N -0.401 118.092 118.700 -0.345 0.000 2.418 148 N HA 0.465 5.204 4.740 -0.000 0.000 0.283 148 N C -1.217 173.821 175.510 -0.786 0.000 1.267 148 N CA -0.486 52.320 53.050 -0.406 0.000 0.975 148 N CB 0.531 38.870 38.487 -0.245 0.000 1.167 148 N HN -0.060 nan 8.380 nan 0.000 0.581 149 F N 0.294 119.992 119.950 -0.420 0.000 2.556 149 F HA 0.402 4.928 4.527 -0.000 0.000 0.314 149 F C -1.133 174.327 175.800 -0.567 0.000 1.106 149 F CA -0.604 57.246 58.000 -0.249 0.000 0.911 149 F CB 1.207 40.114 39.000 -0.156 0.000 1.190 149 F HN 0.297 nan 8.300 nan 0.000 0.448 150 Y N 1.795 122.217 120.300 0.203 0.000 2.327 150 Y HA 0.437 4.987 4.550 -0.000 0.000 0.325 150 Y C -0.417 175.270 175.900 -0.356 0.000 0.999 150 Y CA -0.999 57.104 58.100 0.006 0.000 1.195 150 Y CB 1.738 40.200 38.460 0.002 0.000 1.132 150 Y HN 0.676 nan 8.280 nan 0.000 0.455 151 c N 6.406 124.794 118.600 -0.353 0.000 2.295 151 c HA 0.729 5.299 4.570 -0.000 0.000 0.331 151 c C -0.197 173.703 174.090 -0.316 0.000 1.280 151 c CA -0.646 55.220 56.329 -0.772 0.000 1.746 151 c CB -1.252 41.006 42.510 -0.421 0.000 2.328 151 c HN 0.796 nan 8.230 nan 0.000 0.521 152 I N 7.038 127.427 120.570 -0.302 0.000 2.355 152 I HA 0.275 4.445 4.170 -0.000 0.000 0.288 152 I C 0.024 176.137 176.117 -0.006 0.000 0.999 152 I CA -0.223 61.024 61.300 -0.089 0.000 1.163 152 I CB 0.779 38.729 38.000 -0.084 0.000 1.316 152 I HN 0.690 nan 8.210 nan 0.000 0.454 153 H N 7.284 126.349 119.070 -0.007 0.000 2.640 153 H HA 0.370 4.925 4.556 -0.000 0.000 0.297 153 H C -1.378 174.000 175.328 0.083 0.000 1.073 153 H CA -0.414 55.657 56.048 0.038 0.000 1.305 153 H CB 1.298 31.086 29.762 0.044 0.000 1.404 153 H HN 0.271 nan 8.280 nan 0.000 0.459 154 V N 6.447 126.261 119.914 -0.167 0.000 2.383 154 V HA -0.007 4.112 4.120 -0.000 0.000 0.275 154 V C 0.788 176.838 176.094 -0.075 0.000 1.036 154 V CA -0.790 61.523 62.300 0.021 0.000 0.889 154 V CB 1.238 33.085 31.823 0.041 0.000 0.985 154 V HN 0.789 nan 8.190 nan 0.000 0.459 155 D N 4.233 124.721 120.400 0.148 0.000 2.525 155 D HA -0.024 4.616 4.640 -0.000 0.000 0.235 155 D C 1.199 177.551 176.300 0.086 0.000 1.137 155 D CA -0.124 53.969 54.000 0.156 0.000 0.868 155 D CB 0.805 41.717 40.800 0.186 0.000 1.180 155 D HN 0.328 nan 8.370 nan 0.000 0.465 156 R N 3.024 123.562 120.500 0.064 0.000 2.241 156 R HA -0.094 4.246 4.340 -0.000 0.000 0.224 156 R C 1.349 177.687 176.300 0.063 0.000 1.101 156 R CA 0.805 56.936 56.100 0.051 0.000 0.995 156 R CB -0.014 30.316 30.300 0.051 0.000 0.870 156 R HN 0.500 nan 8.270 nan 0.000 0.463 157 K N -0.039 120.402 120.400 0.068 0.000 2.444 157 K HA 0.181 4.500 4.320 -0.000 0.000 0.193 157 K C 0.613 177.256 176.600 0.072 0.000 1.024 157 K CA -0.033 56.288 56.287 0.057 0.000 1.077 157 K CB 0.485 33.005 32.500 0.033 0.000 0.833 157 K HN 0.016 nan 8.250 nan 0.000 0.517 158 A N 1.976 124.859 122.820 0.106 0.000 2.448 158 A HA 0.018 4.337 4.320 -0.000 0.000 0.239 158 A C 0.185 177.853 177.584 0.141 0.000 1.080 158 A CA -0.199 51.918 52.037 0.133 0.000 0.779 158 A CB 0.269 19.427 19.000 0.262 0.000 1.026 158 A HN 0.110 nan 8.150 nan 0.000 0.499 159 E N 0.735 121.023 120.200 0.147 0.000 2.413 159 E HA -0.024 4.326 4.350 -0.000 0.000 0.263 159 E C 1.309 178.013 176.600 0.173 0.000 1.015 159 E CA 0.593 57.083 56.400 0.150 0.000 0.916 159 E CB 0.561 30.355 29.700 0.156 0.000 0.947 159 E HN 0.816 nan 8.360 nan 0.000 0.440 160 E N 1.338 121.609 120.200 0.117 0.000 2.118 160 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 160 E C 1.475 178.110 176.600 0.058 0.000 0.992 160 E CA 1.649 58.098 56.400 0.081 0.000 0.804 160 E CB -0.111 29.624 29.700 0.058 0.000 0.741 160 E HN 0.394 nan 8.360 nan 0.000 0.458 161 S N 0.237 115.984 115.700 0.077 0.000 2.402 161 S HA -0.185 4.285 4.470 -0.000 0.000 0.229 161 S C 1.864 176.477 174.600 0.022 0.000 1.021 161 S CA 0.775 58.967 58.200 -0.013 0.000 0.974 161 S CB -0.658 62.574 63.200 0.054 0.000 0.800 161 S HN 0.422 nan 8.310 nan 0.000 0.484 162 F N 2.274 122.218 119.950 -0.010 0.000 2.113 162 F HA 0.094 4.620 4.527 -0.000 0.000 0.297 162 F C 1.968 177.746 175.800 -0.037 0.000 1.103 162 F CA 1.095 59.087 58.000 -0.014 0.000 1.248 162 F CB -0.687 38.325 39.000 0.021 0.000 0.999 162 F HN 0.269 nan 8.300 nan 0.000 0.475 163 L N 1.069 122.286 121.223 -0.011 0.000 2.012 163 L HA -0.100 4.240 4.340 -0.000 0.000 0.210 163 L C 2.429 179.191 176.870 -0.181 0.000 1.073 163 L CA 2.281 57.054 54.840 -0.111 0.000 0.748 163 L CB -1.557 40.504 42.059 0.004 0.000 0.891 163 L HN 0.177 nan 8.230 nan 0.000 0.431 164 A N -0.559 122.180 122.820 -0.136 0.000 1.902 164 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 164 A C 2.450 179.912 177.584 -0.204 0.000 1.181 164 A CA 1.976 53.923 52.037 -0.150 0.000 0.623 164 A CB -1.191 17.726 19.000 -0.138 0.000 0.818 164 A HN 0.618 nan 8.150 nan 0.000 0.443 165 A N -0.652 122.020 122.820 -0.248 0.000 1.898 165 A HA 0.028 4.348 4.320 -0.000 0.000 0.216 165 A C 2.232 179.604 177.584 -0.352 0.000 1.181 165 A CA 1.709 53.588 52.037 -0.263 0.000 0.620 165 A CB -0.895 17.965 19.000 -0.234 0.000 0.819 165 A HN 0.375 nan 8.150 nan 0.000 0.442 166 V N -0.026 119.598 119.914 -0.483 0.000 2.295 166 V HA -0.264 3.855 4.120 -0.000 0.000 0.246 166 V C 2.739 178.679 176.094 -0.256 0.000 1.049 166 V CA 2.045 64.086 62.300 -0.433 0.000 1.024 166 V CB -0.736 30.781 31.823 -0.510 0.000 0.648 166 V HN 0.537 nan 8.190 nan 0.000 0.447 167 Q N 0.114 119.787 119.800 -0.210 0.000 2.124 167 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 167 Q C 2.387 178.294 176.000 -0.155 0.000 0.977 167 Q CA 1.873 57.594 55.803 -0.136 0.000 0.850 167 Q CB -0.834 27.840 28.738 -0.106 0.000 0.901 167 Q HN 0.707 nan 8.270 nan 0.000 0.429 168 G N 0.984 109.663 108.800 -0.202 0.000 2.446 168 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 168 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 168 G C 1.578 176.288 174.900 -0.316 0.000 1.168 168 G CA 0.776 45.730 45.100 -0.245 0.000 0.771 168 G HN 0.312 nan 8.290 nan 0.000 0.551 169 I N 1.304 121.687 120.570 -0.312 0.000 2.202 169 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 169 I C 3.335 179.409 176.117 -0.071 0.000 1.091 169 I CA 0.975 62.099 61.300 -0.293 0.000 1.368 169 I CB -0.321 37.583 38.000 -0.160 0.000 1.058 169 I HN 0.250 nan 8.210 nan 0.000 0.410 170 A N 0.200 122.997 122.820 -0.039 0.000 1.908 170 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 170 A C 2.386 180.017 177.584 0.079 0.000 1.181 170 A CA 2.169 54.251 52.037 0.074 0.000 0.627 170 A CB -0.791 18.224 19.000 0.026 0.000 0.818 170 A HN 0.404 nan 8.150 nan 0.000 0.445 171 S N -1.391 114.284 115.700 -0.042 0.000 2.537 171 S HA -0.133 4.337 4.470 -0.000 0.000 0.240 171 S C 1.381 175.885 174.600 -0.160 0.000 0.981 171 S CA 1.023 59.180 58.200 -0.072 0.000 0.948 171 S CB -0.611 62.526 63.200 -0.105 0.000 0.759 171 S HN 0.689 nan 8.310 nan 0.000 0.531 172 c N 0.684 119.100 118.600 -0.308 0.000 2.697 172 c HA 0.377 4.946 4.570 -0.000 0.000 0.267 172 c C 0.121 173.695 174.090 -0.860 0.000 1.278 172 c CA -0.501 55.445 56.329 -0.639 0.000 1.708 172 c CB -1.380 40.569 42.510 -0.935 0.000 1.860 172 c HN 0.388 nan 8.230 nan 0.000 0.589 173 F N 1.057 120.958 119.950 -0.080 0.000 2.547 173 F HA 0.315 4.842 4.527 -0.000 0.000 0.316 173 F C 0.680 176.537 175.800 0.095 0.000 1.121 173 F CA -1.103 56.894 58.000 -0.004 0.000 0.911 173 F CB 0.869 39.844 39.000 -0.041 0.000 1.179 173 F HN 0.009 nan 8.300 nan 0.000 0.443 174 D N -0.581 119.985 120.400 0.277 0.000 2.371 174 D HA -0.128 4.512 4.640 -0.000 0.000 0.221 174 D C 0.685 177.177 176.300 0.319 0.000 0.986 174 D CA 0.796 54.937 54.000 0.235 0.000 0.899 174 D CB -0.335 40.566 40.800 0.168 0.000 0.902 174 D HN 0.470 nan 8.370 nan 0.000 0.530 175 N N 0.249 119.189 118.700 0.400 0.000 2.204 175 N HA 0.045 4.785 4.740 -0.000 0.000 0.219 175 N C -0.732 175.129 175.510 0.586 0.000 1.151 175 N CA -0.286 53.029 53.050 0.442 0.000 0.867 175 N CB 0.657 39.248 38.487 0.172 0.000 1.043 175 N HN 0.034 nan 8.380 nan 0.000 0.516 176 V N 1.773 122.004 119.914 0.527 0.000 2.588 176 V HA 0.679 4.799 4.120 -0.000 0.000 0.304 176 V C -0.909 175.424 176.094 0.399 0.000 1.042 176 V CA -0.837 61.694 62.300 0.383 0.000 0.877 176 V CB 0.961 32.906 31.823 0.202 0.000 0.996 176 V HN 0.266 nan 8.190 nan 0.000 0.425 177 F N 2.604 122.656 119.950 0.170 0.000 2.711 177 F HA 0.871 5.398 4.527 -0.000 0.000 0.313 177 F C -1.150 174.701 175.800 0.085 0.000 1.141 177 F CA -1.331 56.737 58.000 0.113 0.000 0.941 177 F CB 1.448 40.518 39.000 0.118 0.000 1.349 177 F HN 0.165 nan 8.300 nan 0.000 0.464 178 V N 2.435 122.456 119.914 0.178 0.000 2.481 178 V HA 0.665 4.785 4.120 -0.000 0.000 0.286 178 V C 0.661 176.889 176.094 0.224 0.000 1.042 178 V CA -0.489 61.851 62.300 0.066 0.000 0.928 178 V CB 1.013 32.857 31.823 0.035 0.000 0.986 178 V HN 1.138 nan 8.190 nan 0.000 0.462 179 A N 3.776 126.676 122.820 0.132 0.000 2.586 179 A HA 0.171 4.490 4.320 -0.000 0.000 0.231 179 A C 1.576 179.279 177.584 0.200 0.000 1.055 179 A CA 0.615 52.796 52.037 0.241 0.000 0.756 179 A CB 0.100 19.220 19.000 0.201 0.000 0.988 179 A HN 1.307 nan 8.150 nan 0.000 0.509 180 S N 1.034 116.862 115.700 0.214 0.000 2.481 180 S HA -0.021 4.449 4.470 -0.000 0.000 0.231 180 S C 0.570 175.236 174.600 0.109 0.000 0.996 180 S CA 1.083 59.365 58.200 0.137 0.000 0.942 180 S CB -0.173 63.096 63.200 0.115 0.000 0.768 180 S HN 0.738 nan 8.310 nan 0.000 0.520 181 Q N 0.317 120.194 119.800 0.128 0.000 2.323 181 Q HA 0.691 5.031 4.340 -0.000 0.000 0.271 181 Q C -1.564 174.514 176.000 0.130 0.000 1.048 181 Q CA -0.444 55.431 55.803 0.119 0.000 0.792 181 Q CB 2.368 31.186 28.738 0.133 0.000 1.280 181 Q HN 0.303 nan 8.270 nan 0.000 0.441 182 L N 1.661 122.932 121.223 0.079 0.000 2.386 182 L HA 0.555 4.895 4.340 -0.000 0.000 0.271 182 L C -0.271 176.694 176.870 0.158 0.000 0.993 182 L CA -0.974 53.868 54.840 0.003 0.000 0.819 182 L CB 1.887 43.843 42.059 -0.172 0.000 1.294 182 L HN 0.483 nan 8.230 nan 0.000 0.414 183 E N 0.929 121.361 120.200 0.387 0.000 2.232 183 E HA 0.314 4.664 4.350 -0.000 0.000 0.264 183 E C -0.784 175.934 176.600 0.197 0.000 0.973 183 E CA -0.550 56.001 56.400 0.252 0.000 0.849 183 E CB 2.164 31.984 29.700 0.199 0.000 1.198 183 E HN 0.371 nan 8.360 nan 0.000 0.407 184 S N 0.978 116.751 115.700 0.122 0.000 2.434 184 S HA 0.270 4.740 4.470 -0.000 0.000 0.318 184 S C -0.488 174.154 174.600 0.070 0.000 1.062 184 S CA -0.647 57.607 58.200 0.089 0.000 1.116 184 S CB -0.242 62.998 63.200 0.066 0.000 0.977 184 S HN 0.248 nan 8.310 nan 0.000 0.480 185 V N 6.085 126.037 119.914 0.064 0.000 2.508 185 V HA 0.288 4.408 4.120 -0.000 0.000 0.281 185 V C 0.233 176.322 176.094 -0.008 0.000 1.041 185 V CA -0.418 61.888 62.300 0.010 0.000 1.016 185 V CB 1.072 32.889 31.823 -0.009 0.000 0.984 185 V HN 0.658 nan 8.190 nan 0.000 0.478 186 V N 5.348 125.258 119.914 -0.007 0.000 2.435 186 V HA 0.269 4.389 4.120 -0.000 0.000 0.290 186 V C -0.283 175.814 176.094 0.005 0.000 1.030 186 V CA -0.915 61.394 62.300 0.016 0.000 0.881 186 V CB 1.497 33.339 31.823 0.031 0.000 0.983 186 V HN 0.762 nan 8.190 nan 0.000 0.445 187 Y N 4.977 125.234 120.300 -0.073 0.000 2.805 187 Y HA 0.241 4.791 4.550 -0.000 0.000 0.331 187 Y C 1.127 176.947 175.900 -0.132 0.000 1.241 187 Y CA 0.831 58.880 58.100 -0.085 0.000 1.546 187 Y CB 0.143 38.575 38.460 -0.048 0.000 1.248 187 Y HN 1.055 nan 8.280 nan 0.000 0.559 188 A N 3.050 125.345 122.820 -0.876 0.000 3.172 188 A HA -0.239 4.080 4.320 -0.000 0.000 0.263 188 A C 0.835 178.065 177.584 -0.589 0.000 1.215 188 A CA 1.108 52.589 52.037 -0.927 0.000 1.065 188 A CB -2.373 15.857 19.000 -1.284 0.000 1.148 188 A HN 1.451 nan 8.150 nan 0.000 0.904 189 S N -1.720 113.785 115.700 -0.325 0.000 2.745 189 S HA 0.507 4.977 4.470 -0.000 0.000 0.292 189 S C 0.812 175.352 174.600 -0.100 0.000 1.133 189 S CA 0.332 58.438 58.200 -0.158 0.000 0.998 189 S CB 0.949 64.125 63.200 -0.039 0.000 1.087 189 S HN 1.189 nan 8.310 nan 0.000 0.551 190 W N 1.788 122.985 121.300 -0.172 0.000 2.331 190 W HA -0.220 4.440 4.660 -0.000 0.000 0.291 190 W C 1.816 178.269 176.519 -0.110 0.000 1.214 190 W CA 2.279 59.530 57.345 -0.156 0.000 1.228 190 W CB -0.994 28.396 29.460 -0.116 0.000 1.135 190 W HN 0.959 nan 8.180 nan 0.000 0.537 191 T N -0.620 113.876 114.554 -0.097 0.000 2.849 191 T HA -0.277 4.073 4.350 -0.000 0.000 0.270 191 T C 1.701 176.244 174.700 -0.262 0.000 1.066 191 T CA 1.584 63.590 62.100 -0.156 0.000 1.130 191 T CB -0.554 68.303 68.868 -0.018 0.000 0.864 191 T HN 0.083 nan 8.240 nan 0.000 0.481 192 R N 1.122 121.461 120.500 -0.268 0.000 2.115 192 R HA 0.122 4.461 4.340 -0.000 0.000 0.226 192 R C 2.153 178.275 176.300 -0.298 0.000 1.100 192 R CA 1.102 57.053 56.100 -0.248 0.000 0.980 192 R CB -1.083 29.088 30.300 -0.215 0.000 0.875 192 R HN 0.385 nan 8.270 nan 0.000 0.445 193 V N 0.792 120.417 119.914 -0.483 0.000 2.379 193 V HA -0.133 3.987 4.120 -0.000 0.000 0.245 193 V C 2.174 177.962 176.094 -0.511 0.000 1.044 193 V CA 1.882 63.864 62.300 -0.530 0.000 1.036 193 V CB -0.486 30.655 31.823 -1.135 0.000 0.664 193 V HN 0.263 nan 8.190 nan 0.000 0.453 194 K N 1.282 121.237 120.400 -0.742 0.000 2.103 194 K HA -0.128 4.192 4.320 -0.000 0.000 0.207 194 K C 2.024 178.502 176.600 -0.203 0.000 1.048 194 K CA 1.725 57.765 56.287 -0.412 0.000 0.930 194 K CB -0.712 31.607 32.500 -0.303 0.000 0.716 194 K HN 0.397 nan 8.250 nan 0.000 0.444 195 A N 0.967 123.601 122.820 -0.309 0.000 1.883 195 A HA -0.199 4.120 4.320 -0.000 0.000 0.217 195 A C 1.873 179.319 177.584 -0.230 0.000 1.186 195 A CA 2.104 53.825 52.037 -0.527 0.000 0.624 195 A CB -0.720 17.738 19.000 -0.903 0.000 0.822 195 A HN 0.416 nan 8.150 nan 0.000 0.444 196 D N -0.206 120.134 120.400 -0.100 0.000 2.144 196 D HA -0.063 4.577 4.640 -0.000 0.000 0.200 196 D C 1.976 178.340 176.300 0.107 0.000 0.978 196 D CA 0.874 54.901 54.000 0.045 0.000 0.833 196 D CB -0.219 40.674 40.800 0.156 0.000 0.961 196 D HN 0.447 nan 8.370 nan 0.000 0.470 197 L N 0.947 122.239 121.223 0.114 0.000 2.083 197 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 197 L C 2.078 179.024 176.870 0.126 0.000 1.083 197 L CA 0.729 55.655 54.840 0.143 0.000 0.752 197 L CB -0.341 41.790 42.059 0.120 0.000 0.899 197 L HN -0.040 nan 8.230 nan 0.000 0.433 198 N N -0.517 118.249 118.700 0.111 0.000 2.084 198 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 198 N C 1.864 177.483 175.510 0.181 0.000 1.030 198 N CA 1.566 54.709 53.050 0.155 0.000 0.849 198 N CB -0.741 37.868 38.487 0.203 0.000 1.012 198 N HN 0.322 nan 8.380 nan 0.000 0.423 199 c N 0.716 119.416 118.600 0.166 0.000 2.440 199 c HA 0.086 4.655 4.570 -0.000 0.000 0.278 199 c C 2.757 176.951 174.090 0.173 0.000 1.295 199 c CA 0.278 56.708 56.329 0.169 0.000 1.738 199 c CB -0.864 41.704 42.510 0.096 0.000 1.987 199 c HN 0.459 nan 8.230 nan 0.000 0.492 200 M N 0.406 120.100 119.600 0.156 0.000 2.080 200 M HA -0.215 4.265 4.480 -0.000 0.000 0.260 200 M C 2.341 178.782 176.300 0.235 0.000 1.068 200 M CA 1.813 57.224 55.300 0.185 0.000 1.109 200 M CB -0.570 32.122 32.600 0.153 0.000 1.342 200 M HN 0.381 nan 8.290 nan 0.000 0.405 201 K N 0.469 120.984 120.400 0.191 0.000 2.009 201 K HA -0.221 4.099 4.320 -0.000 0.000 0.210 201 K C 1.414 178.144 176.600 0.217 0.000 1.049 201 K CA 2.080 58.478 56.287 0.186 0.000 0.929 201 K CB -0.065 32.521 32.500 0.143 0.000 0.714 201 K HN 0.219 nan 8.250 nan 0.000 0.440 202 D N 0.772 121.304 120.400 0.220 0.000 2.084 202 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 202 D C 2.054 178.474 176.300 0.199 0.000 0.990 202 D CA 1.177 55.298 54.000 0.202 0.000 0.826 202 D CB -0.266 40.747 40.800 0.355 0.000 0.971 202 D HN 0.227 nan 8.370 nan 0.000 0.453 203 L N -0.415 120.979 121.223 0.284 0.000 2.046 203 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 203 L C 2.465 179.595 176.870 0.433 0.000 1.077 203 L CA 0.986 55.955 54.840 0.216 0.000 0.747 203 L CB -0.470 41.573 42.059 -0.027 0.000 0.896 203 L HN 0.056 nan 8.230 nan 0.000 0.432 204 Y N 1.426 121.961 120.300 0.392 0.000 2.145 204 Y HA -0.262 4.288 4.550 -0.000 0.000 0.286 204 Y C 2.845 178.811 175.900 0.111 0.000 1.145 204 Y CA 1.845 60.147 58.100 0.336 0.000 1.148 204 Y CB -0.111 38.469 38.460 0.200 0.000 0.981 204 Y HN 0.121 nan 8.280 nan 0.000 0.507 205 R N 0.477 121.067 120.500 0.151 0.000 2.193 205 R HA -0.068 4.272 4.340 -0.000 0.000 0.213 205 R C 2.024 178.275 176.300 -0.082 0.000 1.055 205 R CA 1.508 57.608 56.100 -0.000 0.000 0.995 205 R CB -0.845 29.495 30.300 0.067 0.000 0.893 205 R HN 0.552 nan 8.270 nan 0.000 0.459 206 M N -0.306 119.247 119.600 -0.079 0.000 2.419 206 M HA 0.151 4.631 4.480 -0.000 0.000 0.264 206 M C 0.020 176.189 176.300 -0.218 0.000 1.082 206 M CA 0.999 56.207 55.300 -0.153 0.000 1.119 206 M CB 0.224 32.698 32.600 -0.210 0.000 1.398 206 M HN 0.101 nan 8.290 nan 0.000 0.453 207 N N 0.198 118.752 118.700 -0.244 0.000 2.431 207 N HA 0.364 5.103 4.740 -0.000 0.000 0.275 207 N C -1.144 174.164 175.510 -0.336 0.000 1.091 207 N CA 0.297 53.171 53.050 -0.293 0.000 0.922 207 N CB 2.155 40.261 38.487 -0.635 0.000 1.666 207 N HN 0.165 nan 8.380 nan 0.000 0.484 208 A N 3.021 125.643 122.820 -0.331 0.000 2.387 208 A HA 0.227 4.547 4.320 -0.000 0.000 0.234 208 A C 0.780 178.120 177.584 -0.407 0.000 1.253 208 A CA 0.033 51.797 52.037 -0.455 0.000 0.894 208 A CB -0.379 18.417 19.000 -0.340 0.000 0.963 208 A HN 0.816 nan 8.150 nan 0.000 0.508 209 N N -0.194 118.347 118.700 -0.265 0.000 2.322 209 N HA 0.064 4.803 4.740 -0.000 0.000 0.181 209 N C 0.351 175.799 175.510 -0.103 0.000 1.088 209 N CA -0.436 52.521 53.050 -0.155 0.000 0.885 209 N CB 0.044 38.524 38.487 -0.012 0.000 1.013 209 N HN 0.784 nan 8.380 nan 0.000 0.472 210 W N 2.198 123.443 121.300 -0.092 0.000 2.193 210 W HA 0.218 4.878 4.660 0.000 0.000 0.338 210 W C 0.352 176.765 176.519 -0.176 0.000 1.310 210 W CA -0.457 56.844 57.345 -0.073 0.000 1.243 210 W CB 0.486 29.958 29.460 0.019 0.000 1.165 210 W HN -0.160 nan 8.180 nan 0.000 0.566 211 K N 2.228 122.634 120.400 0.009 0.000 2.099 211 K HA 0.008 4.328 4.320 -0.000 0.000 0.203 211 K C -0.126 176.469 176.600 -0.007 0.000 1.047 211 K CA 1.060 57.230 56.287 -0.196 0.000 0.963 211 K CB -0.213 31.872 32.500 -0.692 0.000 0.759 211 K HN 0.444 nan 8.250 nan 0.000 0.451 212 Y N -0.810 119.638 120.300 0.247 0.000 2.581 212 Y HA 0.411 4.961 4.550 -0.000 0.000 0.345 212 Y C -0.814 175.216 175.900 0.216 0.000 1.036 212 Y CA -1.429 56.834 58.100 0.270 0.000 1.042 212 Y CB 1.653 40.211 38.460 0.163 0.000 1.289 212 Y HN -0.185 nan 8.280 nan 0.000 0.471 213 L N 3.470 124.880 121.223 0.310 0.000 2.341 213 L HA 0.733 5.073 4.340 -0.000 0.000 0.278 213 L C -1.581 175.295 176.870 0.010 0.000 1.005 213 L CA -0.416 54.406 54.840 -0.030 0.000 0.818 213 L CB 0.948 43.027 42.059 0.033 0.000 1.259 213 L HN 0.526 nan 8.230 nan 0.000 0.418 214 I N 5.590 126.009 120.570 -0.253 0.000 2.418 214 I HA 0.388 4.557 4.170 -0.000 0.000 0.287 214 I C -0.790 175.144 176.117 -0.306 0.000 1.008 214 I CA -0.780 60.363 61.300 -0.262 0.000 1.104 214 I CB 1.682 39.500 38.000 -0.303 0.000 1.264 214 I HN 0.715 nan 8.210 nan 0.000 0.438 215 N N 8.436 126.812 118.700 -0.541 0.000 2.473 215 N HA 0.663 5.403 4.740 -0.000 0.000 0.291 215 N C -1.256 174.061 175.510 -0.322 0.000 1.083 215 N CA -0.398 52.379 53.050 -0.456 0.000 0.951 215 N CB 2.113 40.146 38.487 -0.757 0.000 1.164 215 N HN 0.500 nan 8.380 nan 0.000 0.480 216 L N -0.320 120.786 121.223 -0.195 0.000 2.341 216 L HA 0.630 4.970 4.340 -0.000 0.000 0.254 216 L C -0.104 176.741 176.870 -0.043 0.000 1.040 216 L CA -1.134 53.581 54.840 -0.209 0.000 0.837 216 L CB 2.028 43.907 42.059 -0.299 0.000 1.425 216 L HN 0.853 nan 8.230 nan 0.000 0.414 217 C N -2.055 117.231 119.300 -0.023 0.000 2.913 217 C HA 0.727 5.187 4.460 -0.000 0.000 0.322 217 C C 1.547 176.587 174.990 0.083 0.000 1.292 217 C CA -0.018 59.055 59.018 0.091 0.000 1.649 217 C CB 0.917 28.765 27.740 0.180 0.000 2.139 217 C HN 0.985 nan 8.230 nan 0.000 0.475 218 G N 0.218 109.100 108.800 0.138 0.000 2.462 218 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.220 218 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.220 218 G C 1.034 176.020 174.900 0.143 0.000 1.121 218 G CA 0.788 45.968 45.100 0.133 0.000 0.758 218 G HN 0.796 nan 8.290 nan 0.000 0.559 219 M N 0.999 120.694 119.600 0.158 0.000 2.453 219 M HA 0.213 4.693 4.480 -0.000 0.000 0.239 219 M C -0.361 176.109 176.300 0.284 0.000 1.151 219 M CA -0.118 55.299 55.300 0.195 0.000 0.989 219 M CB 0.417 33.107 32.600 0.150 0.000 1.548 219 M HN -0.048 nan 8.290 nan 0.000 0.479 220 D N 0.117 120.654 120.400 0.227 0.000 2.348 220 D HA 0.438 5.078 4.640 -0.000 0.000 0.249 220 D C -1.217 175.354 176.300 0.453 0.000 1.110 220 D CA 0.291 54.467 54.000 0.294 0.000 0.967 220 D CB 1.640 42.466 40.800 0.043 0.000 1.139 220 D HN -0.049 nan 8.370 nan 0.000 0.466 221 F N 0.442 120.600 119.950 0.346 0.000 2.650 221 F HA 0.256 4.783 4.527 -0.000 0.000 0.310 221 F C -2.441 173.454 175.800 0.159 0.000 1.112 221 F CA -1.739 56.312 58.000 0.085 0.000 0.986 221 F CB 2.422 41.088 39.000 -0.556 0.000 1.285 221 F HN 0.030 nan 8.300 nan 0.000 0.440 222 P HA 0.306 nan 4.420 nan 0.000 0.274 222 P C 0.152 177.277 177.300 -0.292 0.000 1.231 222 P CA 0.019 62.666 63.100 -0.756 0.000 0.790 222 P CB 1.422 32.521 31.700 -1.002 0.000 0.951 223 I N -2.552 117.856 120.570 -0.270 0.000 4.050 223 I HA 0.410 4.580 4.170 -0.000 0.000 0.327 223 I C -0.124 175.915 176.117 -0.131 0.000 1.473 223 I CA -0.304 60.940 61.300 -0.094 0.000 1.124 223 I CB 0.153 38.140 38.000 -0.022 0.000 1.129 223 I HN -0.039 nan 8.210 nan 0.000 0.428 224 K N 2.066 122.320 120.400 -0.243 0.000 2.469 224 K HA 0.445 4.765 4.320 -0.000 0.000 0.254 224 K C -0.194 176.268 176.600 -0.231 0.000 0.939 224 K CA -0.338 55.825 56.287 -0.205 0.000 0.812 224 K CB 2.531 34.910 32.500 -0.202 0.000 1.301 224 K HN 0.206 nan 8.250 nan 0.000 0.433 225 T N -2.084 112.365 114.554 -0.174 0.000 2.788 225 T HA 0.086 4.436 4.350 -0.000 0.000 0.287 225 T C 1.244 175.871 174.700 -0.122 0.000 1.007 225 T CA -0.388 61.617 62.100 -0.157 0.000 1.005 225 T CB 0.891 69.676 68.868 -0.138 0.000 1.012 225 T HN 0.579 nan 8.240 nan 0.000 0.530 226 N N -0.327 118.323 118.700 -0.083 0.000 2.104 226 N HA -0.140 4.600 4.740 -0.000 0.000 0.190 226 N C 1.804 177.292 175.510 -0.037 0.000 1.024 226 N CA 1.305 54.341 53.050 -0.023 0.000 0.853 226 N CB -0.333 38.156 38.487 0.004 0.000 1.008 226 N HN 0.598 nan 8.380 nan 0.000 0.424 227 L N 1.885 123.073 121.223 -0.059 0.000 2.046 227 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 227 L C 2.009 178.819 176.870 -0.100 0.000 1.077 227 L CA 1.695 56.493 54.840 -0.070 0.000 0.747 227 L CB -0.596 41.423 42.059 -0.067 0.000 0.896 227 L HN 0.149 nan 8.230 nan 0.000 0.432 228 E N -0.477 119.661 120.200 -0.104 0.000 2.150 228 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 228 E C 2.266 178.789 176.600 -0.129 0.000 0.985 228 E CA 1.486 57.817 56.400 -0.115 0.000 0.814 228 E CB -0.175 29.458 29.700 -0.113 0.000 0.752 228 E HN 0.581 nan 8.360 nan 0.000 0.466 229 I N 0.475 120.977 120.570 -0.114 0.000 2.202 229 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 229 I C 2.375 178.398 176.117 -0.156 0.000 1.091 229 I CA 0.701 61.940 61.300 -0.101 0.000 1.368 229 I CB -0.204 37.786 38.000 -0.018 0.000 1.058 229 I HN -0.023 nan 8.210 nan 0.000 0.410 230 V N 0.988 120.804 119.914 -0.163 0.000 2.282 230 V HA -0.337 3.782 4.120 -0.000 0.000 0.249 230 V C 2.592 178.372 176.094 -0.523 0.000 1.057 230 V CA 2.030 64.115 62.300 -0.360 0.000 1.032 230 V CB -0.749 30.930 31.823 -0.240 0.000 0.645 230 V HN 0.381 nan 8.190 nan 0.000 0.447 231 R N -0.290 120.021 120.500 -0.315 0.000 2.081 231 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 231 R C 2.402 178.557 176.300 -0.242 0.000 1.131 231 R CA 1.357 57.298 56.100 -0.265 0.000 0.960 231 R CB -0.298 29.901 30.300 -0.169 0.000 0.856 231 R HN 0.489 nan 8.270 nan 0.000 0.436 232 K N 0.510 120.780 120.400 -0.217 0.000 2.148 232 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 232 K C 2.052 178.511 176.600 -0.234 0.000 1.050 232 K CA 0.894 57.067 56.287 -0.191 0.000 0.942 232 K CB 0.003 32.399 32.500 -0.173 0.000 0.724 232 K HN 0.188 nan 8.250 nan 0.000 0.446 233 L N 0.806 121.834 121.223 -0.326 0.000 2.109 233 L HA -0.143 4.196 4.340 -0.000 0.000 0.207 233 L C 2.184 178.908 176.870 -0.243 0.000 1.086 233 L CA 1.186 55.776 54.840 -0.418 0.000 0.760 233 L CB -0.278 41.526 42.059 -0.425 0.000 0.910 233 L HN 0.089 nan 8.230 nan 0.000 0.437 234 K N -0.621 119.573 120.400 -0.343 0.000 2.148 234 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 234 K C 2.123 178.693 176.600 -0.049 0.000 1.050 234 K CA 1.156 57.348 56.287 -0.158 0.000 0.942 234 K CB -0.236 32.108 32.500 -0.260 0.000 0.724 234 K HN 0.345 nan 8.250 nan 0.000 0.446 235 C N 0.582 119.827 119.300 -0.093 0.000 2.432 235 C HA -0.016 4.444 4.460 -0.000 0.000 0.282 235 C C 2.439 177.428 174.990 -0.002 0.000 1.388 235 C CA 0.721 59.711 59.018 -0.047 0.000 1.777 235 C CB -0.647 27.052 27.740 -0.069 0.000 1.882 235 C HN 0.391 nan 8.230 nan 0.000 0.520 236 S N 0.202 115.906 115.700 0.007 0.000 2.561 236 S HA -0.053 4.417 4.470 -0.000 0.000 0.225 236 S C 1.049 175.740 174.600 0.153 0.000 0.977 236 S CA 1.019 59.267 58.200 0.079 0.000 0.926 236 S CB -0.579 62.666 63.200 0.074 0.000 0.769 236 S HN 0.887 nan 8.310 nan 0.000 0.533 237 T N 0.017 114.658 114.554 0.146 0.000 3.361 237 T HA -0.175 4.175 4.350 -0.000 0.000 0.417 237 T C 1.102 175.906 174.700 0.174 0.000 0.769 237 T CA 0.786 62.977 62.100 0.152 0.000 2.085 237 T CB -2.486 66.441 68.868 0.099 0.000 1.689 237 T HN 1.086 nan 8.240 nan 0.000 0.639 238 G N -0.129 108.819 108.800 0.246 0.000 2.184 238 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.264 238 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.264 238 G C -0.120 174.861 174.900 0.135 0.000 0.975 238 G CA 0.415 45.608 45.100 0.155 0.000 0.642 238 G HN 0.924 nan 8.290 nan 0.000 0.536 239 E N 0.792 121.125 120.200 0.222 0.000 2.250 239 E HA 0.379 4.729 4.350 -0.000 0.000 0.269 239 E C 0.287 177.032 176.600 0.241 0.000 1.018 239 E CA -0.747 55.773 56.400 0.199 0.000 0.873 239 E CB 0.656 30.530 29.700 0.290 0.000 1.134 239 E HN 0.344 nan 8.360 nan 0.000 0.403 240 N N 1.777 120.518 118.700 0.069 0.000 2.434 240 N HA 0.175 4.915 4.740 -0.000 0.000 0.266 240 N C -0.268 175.302 175.510 0.099 0.000 1.223 240 N CA -0.209 52.860 53.050 0.031 0.000 0.972 240 N CB 0.657 38.973 38.487 -0.286 0.000 1.207 240 N HN 0.332 nan 8.380 nan 0.000 0.525 241 N N 0.851 119.616 118.700 0.108 0.000 2.533 241 N HA 0.392 5.131 4.740 -0.000 0.000 0.289 241 N C -1.699 173.902 175.510 0.151 0.000 1.103 241 N CA -0.282 52.869 53.050 0.168 0.000 0.877 241 N CB 0.781 39.342 38.487 0.122 0.000 1.419 241 N HN 0.598 nan 8.380 nan 0.000 0.517 242 L N -0.342 120.996 121.223 0.191 0.000 2.710 242 L HA 0.600 4.940 4.340 -0.000 0.000 0.260 242 L C -0.282 176.748 176.870 0.265 0.000 0.993 242 L CA -1.044 53.929 54.840 0.221 0.000 0.877 242 L CB 1.641 43.820 42.059 0.201 0.000 1.461 242 L HN 0.251 nan 8.230 nan 0.000 0.413 243 E N 0.652 121.024 120.200 0.286 0.000 2.415 243 E HA 0.307 4.657 4.350 -0.000 0.000 0.263 243 E C -0.953 175.819 176.600 0.285 0.000 0.995 243 E CA 0.323 56.898 56.400 0.291 0.000 0.915 243 E CB 0.709 30.587 29.700 0.297 0.000 0.951 243 E HN 0.708 nan 8.360 nan 0.000 0.449 244 T N 4.106 118.834 114.554 0.291 0.000 3.842 244 T HA 0.230 4.580 4.350 -0.000 0.000 0.336 244 T C -1.510 173.403 174.700 0.355 0.000 0.900 244 T CA -0.604 61.674 62.100 0.297 0.000 1.022 244 T CB 0.531 69.511 68.868 0.186 0.000 1.068 244 T HN 0.569 nan 8.240 nan 0.000 0.464 245 E N 2.224 122.674 120.200 0.417 0.000 2.312 245 E HA 0.391 4.741 4.350 -0.000 0.000 0.267 245 E C -0.826 176.012 176.600 0.397 0.000 0.894 245 E CA -1.207 55.430 56.400 0.396 0.000 0.773 245 E CB 2.117 31.968 29.700 0.253 0.000 1.241 245 E HN 0.532 nan 8.360 nan 0.000 0.432 246 K N 2.125 122.679 120.400 0.256 0.000 2.530 246 K HA -0.079 4.241 4.320 -0.000 0.000 0.280 246 K C -0.134 176.447 176.600 -0.031 0.000 1.004 246 K CA 0.004 56.272 56.287 -0.033 0.000 1.071 246 K CB 0.337 32.842 32.500 0.009 0.000 0.876 246 K HN 0.390 nan 8.250 nan 0.000 0.487 247 M N 7.460 126.968 119.600 -0.154 0.000 2.268 247 M HA 0.170 4.650 4.480 -0.000 0.000 0.349 247 M C -2.295 174.023 176.300 0.031 0.000 1.485 247 M CA -1.621 53.663 55.300 -0.025 0.000 1.094 247 M CB 0.634 33.191 32.600 -0.073 0.000 1.843 247 M HN 0.358 nan 8.290 nan 0.000 0.460 248 P HA 0.210 nan 4.420 nan 0.000 0.271 248 P C -2.308 175.041 177.300 0.081 0.000 1.226 248 P CA -0.946 62.192 63.100 0.064 0.000 0.765 248 P CB 0.324 32.062 31.700 0.063 0.000 0.835 249 P HA -0.197 nan 4.420 nan 0.000 0.219 249 P C 0.836 178.149 177.300 0.022 0.000 1.146 249 P CA 1.320 64.454 63.100 0.057 0.000 0.808 249 P CB -0.334 31.384 31.700 0.030 0.000 0.779 250 N N -0.704 118.004 118.700 0.014 0.000 2.573 250 N HA -0.117 4.622 4.740 -0.000 0.000 0.187 250 N C 1.134 176.636 175.510 -0.014 0.000 1.107 250 N CA 0.916 53.958 53.050 -0.012 0.000 0.918 250 N CB -0.596 37.883 38.487 -0.015 0.000 0.966 250 N HN 0.087 nan 8.380 nan 0.000 0.448 251 K N 0.088 120.505 120.400 0.029 0.000 2.372 251 K HA 0.016 4.336 4.320 -0.000 0.000 0.200 251 K C 1.054 177.645 176.600 -0.015 0.000 1.022 251 K CA 0.119 56.436 56.287 0.050 0.000 1.125 251 K CB 0.217 32.802 32.500 0.142 0.000 0.855 251 K HN 0.511 nan 8.250 nan 0.000 0.524 252 E N 1.270 121.382 120.200 -0.147 0.000 2.219 252 E HA -0.222 4.128 4.350 -0.000 0.000 0.198 252 E C 0.872 176.985 176.600 -0.811 0.000 0.998 252 E CA 1.085 57.094 56.400 -0.652 0.000 0.818 252 E CB 0.033 29.417 29.700 -0.526 0.000 0.741 252 E HN 0.119 nan 8.360 nan 0.000 0.477 253 E N 0.940 120.922 120.200 -0.363 0.000 2.409 253 E HA -0.077 4.273 4.350 -0.000 0.000 0.198 253 E C 1.869 178.441 176.600 -0.046 0.000 1.024 253 E CA 0.422 56.689 56.400 -0.222 0.000 0.861 253 E CB -0.133 29.499 29.700 -0.112 0.000 0.788 253 E HN 0.418 nan 8.360 nan 0.000 0.521 254 R N 0.060 120.524 120.500 -0.059 0.000 2.148 254 R HA -0.077 4.263 4.340 -0.000 0.000 0.227 254 R C 1.817 178.261 176.300 0.240 0.000 1.103 254 R CA 1.398 57.574 56.100 0.126 0.000 0.983 254 R CB -0.026 30.422 30.300 0.246 0.000 0.874 254 R HN 0.368 nan 8.270 nan 0.000 0.451 255 W N -1.122 120.239 121.300 0.102 0.000 2.725 255 W HA 0.323 4.983 4.660 0.000 0.000 0.336 255 W C 0.539 177.101 176.519 0.071 0.000 1.012 255 W CA -0.422 56.935 57.345 0.019 0.000 1.566 255 W CB -0.028 29.392 29.460 -0.066 0.000 1.068 255 W HN -0.158 nan 8.180 nan 0.000 0.546 256 K N 1.178 121.399 120.400 -0.297 0.000 2.418 256 K HA 0.061 4.381 4.320 -0.000 0.000 0.195 256 K C 0.512 177.071 176.600 -0.068 0.000 1.035 256 K CA 0.675 56.842 56.287 -0.201 0.000 1.003 256 K CB 0.261 32.507 32.500 -0.422 0.000 0.793 256 K HN -0.162 nan 8.250 nan 0.000 0.494 257 K N 1.031 121.409 120.400 -0.037 0.000 2.328 257 K HA 0.264 4.584 4.320 -0.000 0.000 0.246 257 K C -0.579 175.995 176.600 -0.043 0.000 0.955 257 K CA -0.746 55.488 56.287 -0.088 0.000 0.817 257 K CB 2.281 34.653 32.500 -0.213 0.000 1.208 257 K HN -0.046 nan 8.250 nan 0.000 0.432 258 R N 1.668 122.093 120.500 -0.125 0.000 2.357 258 R HA 0.255 4.595 4.340 -0.000 0.000 0.296 258 R C -0.998 175.192 176.300 -0.183 0.000 1.052 258 R CA -0.120 55.941 56.100 -0.066 0.000 0.988 258 R CB 0.412 30.671 30.300 -0.068 0.000 1.025 258 R HN 0.498 nan 8.270 nan 0.000 0.469 259 Y N 1.833 122.131 120.300 -0.004 0.000 2.446 259 Y HA 0.618 5.168 4.550 -0.000 0.000 0.338 259 Y C 0.110 176.026 175.900 0.027 0.000 1.055 259 Y CA -0.635 57.488 58.100 0.037 0.000 1.101 259 Y CB 2.431 40.954 38.460 0.104 0.000 1.221 259 Y HN 0.737 nan 8.280 nan 0.000 0.460 260 A N 1.567 124.474 122.820 0.144 0.000 2.414 260 A HA 0.677 4.997 4.320 -0.000 0.000 0.306 260 A C -1.465 176.187 177.584 0.114 0.000 1.054 260 A CA -0.788 51.307 52.037 0.097 0.000 0.724 260 A CB 0.956 19.980 19.000 0.039 0.000 1.267 260 A HN 0.501 nan 8.150 nan 0.000 0.418 261 V N 2.454 122.425 119.914 0.095 0.000 2.397 261 V HA 0.233 4.353 4.120 -0.000 0.000 0.262 261 V C -0.153 175.983 176.094 0.071 0.000 1.047 261 V CA 0.004 62.358 62.300 0.091 0.000 1.003 261 V CB 0.401 32.269 31.823 0.075 0.000 1.037 261 V HN 0.525 nan 8.190 nan 0.000 0.480 262 V N 4.860 124.819 119.914 0.074 0.000 2.334 262 V HA 0.388 4.508 4.120 -0.000 0.000 0.281 262 V C 0.590 176.715 176.094 0.052 0.000 1.016 262 V CA -0.430 61.903 62.300 0.054 0.000 0.832 262 V CB 1.127 32.978 31.823 0.047 0.000 0.999 262 V HN 1.013 nan 8.190 nan 0.000 0.439 263 D N 4.305 124.730 120.400 0.042 0.000 2.723 263 D HA -0.198 4.442 4.640 -0.000 0.000 0.236 263 D C 1.227 177.553 176.300 0.043 0.000 1.138 263 D CA 1.542 55.564 54.000 0.037 0.000 0.676 263 D CB -0.876 39.944 40.800 0.033 0.000 1.069 263 D HN 1.400 nan 8.370 nan 0.000 0.430 264 G N -0.382 108.447 108.800 0.047 0.000 2.205 264 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.261 264 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.261 264 G C 0.132 175.073 174.900 0.070 0.000 0.980 264 G CA 0.866 45.996 45.100 0.050 0.000 0.632 264 G HN 0.432 nan 8.290 nan 0.000 0.533 265 K N -0.042 120.409 120.400 0.085 0.000 2.345 265 K HA 0.618 4.938 4.320 -0.000 0.000 0.255 265 K C -0.427 176.264 176.600 0.151 0.000 0.934 265 K CA -1.211 55.151 56.287 0.124 0.000 0.801 265 K CB 2.353 34.925 32.500 0.120 0.000 1.137 265 K HN 0.218 nan 8.250 nan 0.000 0.424 266 L N 2.839 124.178 121.223 0.194 0.000 2.418 266 L HA 0.184 4.524 4.340 -0.000 0.000 0.274 266 L C 0.035 177.110 176.870 0.342 0.000 1.135 266 L CA 0.816 55.800 54.840 0.239 0.000 0.870 266 L CB 0.259 42.435 42.059 0.194 0.000 1.154 266 L HN 0.818 nan 8.230 nan 0.000 0.462 267 T N 1.481 116.220 114.554 0.309 0.000 2.906 267 T HA 0.368 4.718 4.350 -0.000 0.000 0.295 267 T C -0.215 174.540 174.700 0.091 0.000 1.061 267 T CA -1.022 61.229 62.100 0.251 0.000 1.000 267 T CB 1.154 70.088 68.868 0.111 0.000 1.103 267 T HN 0.550 nan 8.240 nan 0.000 0.486 268 N N 1.615 120.240 118.700 -0.124 0.000 2.452 268 N HA 0.077 4.817 4.740 -0.000 0.000 0.266 268 N C 1.417 176.716 175.510 -0.351 0.000 1.209 268 N CA 0.567 53.232 53.050 -0.642 0.000 0.929 268 N CB 1.389 39.622 38.487 -0.423 0.000 1.063 268 N HN 0.899 nan 8.380 nan 0.000 0.472 269 T N 0.496 114.829 114.554 -0.368 0.000 3.065 269 T HA 0.193 4.543 4.350 -0.000 0.000 0.252 269 T C 1.281 175.878 174.700 -0.171 0.000 1.099 269 T CA 0.599 62.582 62.100 -0.195 0.000 1.063 269 T CB -0.097 68.685 68.868 -0.142 0.000 0.948 269 T HN 0.605 nan 8.240 nan 0.000 0.506 270 G N 1.544 110.212 108.800 -0.220 0.000 2.205 270 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.261 270 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.261 270 G C 0.079 174.905 174.900 -0.123 0.000 0.980 270 G CA 0.087 45.093 45.100 -0.157 0.000 0.632 270 G HN 0.666 nan 8.290 nan 0.000 0.533 271 I N 1.810 122.306 120.570 -0.123 0.000 2.471 271 I HA 0.250 4.420 4.170 -0.000 0.000 0.286 271 I C 1.082 177.155 176.117 -0.074 0.000 1.079 271 I CA -0.576 60.674 61.300 -0.083 0.000 1.398 271 I CB 1.209 39.166 38.000 -0.070 0.000 1.403 271 I HN -0.095 nan 8.210 nan 0.000 0.530 272 V N 7.758 127.643 119.914 -0.047 0.000 2.521 272 V HA 0.060 4.180 4.120 -0.000 0.000 0.286 272 V C 0.564 176.664 176.094 0.010 0.000 1.034 272 V CA -0.191 62.094 62.300 -0.025 0.000 1.045 272 V CB 0.320 32.134 31.823 -0.016 0.000 0.974 272 V HN 0.655 nan 8.190 nan 0.000 0.480 273 K N 2.932 123.358 120.400 0.043 0.000 2.095 273 K HA 0.731 5.050 4.320 -0.000 0.000 0.252 273 K C 0.230 176.953 176.600 0.205 0.000 0.977 273 K CA -0.456 55.897 56.287 0.109 0.000 0.900 273 K CB 1.529 34.092 32.500 0.105 0.000 1.060 273 K HN 0.803 nan 8.250 nan 0.000 0.449 274 A N 2.465 125.449 122.820 0.273 0.000 2.327 274 A HA 0.347 4.667 4.320 -0.000 0.000 0.255 274 A C -2.255 175.555 177.584 0.375 0.000 1.099 274 A CA -1.078 51.112 52.037 0.255 0.000 0.801 274 A CB -0.421 18.702 19.000 0.205 0.000 1.062 274 A HN 0.416 nan 8.150 nan 0.000 0.496 275 P HA 0.288 nan 4.420 nan 0.000 0.272 275 P C -2.510 174.660 177.300 -0.216 0.000 1.230 275 P CA -0.985 62.190 63.100 0.124 0.000 0.788 275 P CB -0.325 31.395 31.700 0.034 0.000 0.949 276 P HA 0.038 nan 4.420 nan 0.000 0.265 276 P C -1.967 174.824 177.300 -0.848 0.000 1.193 276 P CA -0.722 61.493 63.100 -1.474 0.000 0.765 276 P CB -0.673 30.299 31.700 -1.215 0.000 0.823 277 P HA 0.103 nan 4.420 nan 0.000 0.225 277 P C -1.228 175.902 177.300 -0.283 0.000 1.768 277 P CA 0.202 63.067 63.100 -0.392 0.000 0.943 277 P CB -0.352 31.182 31.700 -0.275 0.000 1.936 278 L N -2.787 118.267 121.223 -0.282 0.000 2.612 278 L HA 0.474 4.814 4.340 -0.000 0.000 0.256 278 L C 1.041 177.822 176.870 -0.148 0.000 0.949 278 L CA -1.107 53.622 54.840 -0.183 0.000 0.867 278 L CB 0.596 42.554 42.059 -0.170 0.000 1.417 278 L HN -0.264 nan 8.230 nan 0.000 0.414 279 K N 0.152 120.498 120.400 -0.091 0.000 2.025 279 K HA 0.050 4.370 4.320 -0.000 0.000 0.207 279 K C 0.163 176.732 176.600 -0.052 0.000 1.049 279 K CA 1.485 57.735 56.287 -0.063 0.000 0.933 279 K CB 0.051 32.530 32.500 -0.036 0.000 0.714 279 K HN 0.876 nan 8.250 nan 0.000 0.438 280 T N 3.644 118.180 114.554 -0.030 0.000 2.940 280 T HA 0.097 4.447 4.350 -0.000 0.000 0.309 280 T C -2.357 172.336 174.700 -0.011 0.000 1.056 280 T CA -1.095 61.021 62.100 0.027 0.000 1.137 280 T CB 1.092 70.001 68.868 0.069 0.000 0.976 280 T HN 0.165 nan 8.240 nan 0.000 0.547 281 P HA 0.274 nan 4.420 nan 0.000 0.274 281 P C -0.322 176.869 177.300 -0.182 0.000 1.256 281 P CA -0.612 62.387 63.100 -0.168 0.000 0.795 281 P CB 0.481 32.019 31.700 -0.271 0.000 1.038 282 L N 0.942 121.937 121.223 -0.380 0.000 2.395 282 L HA 0.373 4.713 4.340 -0.000 0.000 0.269 282 L C -0.031 176.649 176.870 -0.316 0.000 1.133 282 L CA -0.067 54.577 54.840 -0.327 0.000 0.812 282 L CB -0.006 41.617 42.059 -0.726 0.000 1.125 282 L HN 0.282 nan 8.230 nan 0.000 0.452 283 F N 0.128 120.072 119.950 -0.009 0.000 2.561 283 F HA 0.352 4.879 4.527 -0.000 0.000 0.321 283 F C 0.443 176.331 175.800 0.148 0.000 1.065 283 F CA -0.514 57.534 58.000 0.080 0.000 0.934 283 F CB 2.154 41.224 39.000 0.117 0.000 1.215 283 F HN 0.319 nan 8.300 nan 0.000 0.471 284 S N 0.847 116.738 115.700 0.318 0.000 2.554 284 S HA 0.842 5.312 4.470 -0.000 0.000 0.278 284 S C -0.042 174.739 174.600 0.302 0.000 1.242 284 S CA 0.200 58.571 58.200 0.284 0.000 1.051 284 S CB 0.852 64.179 63.200 0.212 0.000 0.986 284 S HN 0.960 nan 8.310 nan 0.000 0.502 285 G N 1.924 110.893 108.800 0.283 0.000 2.827 285 G HA2 0.569 4.528 3.960 -0.000 0.000 0.202 285 G HA3 0.569 4.528 3.960 -0.000 0.000 0.202 285 G C -0.986 174.062 174.900 0.248 0.000 1.185 285 G CA -0.028 45.237 45.100 0.276 0.000 0.920 285 G HN 0.948 nan 8.290 nan 0.000 0.550 286 S N -1.577 114.279 115.700 0.260 0.000 2.671 286 S HA 0.628 5.098 4.470 -0.000 0.000 0.299 286 S C 1.141 175.826 174.600 0.141 0.000 1.116 286 S CA 0.700 59.021 58.200 0.201 0.000 0.912 286 S CB 1.503 64.864 63.200 0.268 0.000 1.130 286 S HN 1.637 nan 8.310 nan 0.000 0.501 287 A N 1.091 123.815 122.820 -0.160 0.000 2.119 287 A HA 0.273 4.593 4.320 -0.000 0.000 0.216 287 A C -0.256 177.089 177.584 -0.397 0.000 1.152 287 A CA 0.715 52.602 52.037 -0.250 0.000 0.708 287 A CB -0.472 18.189 19.000 -0.565 0.000 0.805 287 A HN 0.702 nan 8.150 nan 0.000 0.460 288 Y N -0.157 120.183 120.300 0.066 0.000 2.342 288 Y HA 0.547 5.096 4.550 -0.000 0.000 0.334 288 Y C -0.134 175.713 175.900 -0.087 0.000 1.067 288 Y CA -1.887 56.107 58.100 -0.177 0.000 1.128 288 Y CB 0.573 38.985 38.460 -0.081 0.000 1.200 288 Y HN 0.289 nan 8.280 nan 0.000 0.464 289 F N -1.218 118.747 119.950 0.025 0.000 2.715 289 F HA 0.881 5.408 4.527 -0.000 0.000 0.318 289 F C -1.710 174.047 175.800 -0.073 0.000 1.141 289 F CA -2.031 55.927 58.000 -0.069 0.000 0.950 289 F CB 0.983 39.813 39.000 -0.283 0.000 1.374 289 F HN 0.067 nan 8.300 nan 0.000 0.477 290 V N 2.552 122.633 119.914 0.277 0.000 2.445 290 V HA 0.619 4.739 4.120 -0.000 0.000 0.283 290 V C -0.860 175.369 176.094 0.225 0.000 1.014 290 V CA -0.473 61.959 62.300 0.220 0.000 0.852 290 V CB 1.181 33.072 31.823 0.112 0.000 1.021 290 V HN 0.986 nan 8.190 nan 0.000 0.435 291 V N 1.551 121.591 119.914 0.210 0.000 2.914 291 V HA 0.857 4.977 4.120 -0.000 0.000 0.314 291 V C 0.317 176.390 176.094 -0.034 0.000 1.084 291 V CA -0.568 61.676 62.300 -0.092 0.000 0.963 291 V CB 1.910 33.303 31.823 -0.717 0.000 1.025 291 V HN 0.810 nan 8.190 nan 0.000 0.432 292 T N 0.063 114.425 114.554 -0.320 0.000 2.856 292 T HA 0.250 4.600 4.350 -0.000 0.000 0.306 292 T C 1.015 175.617 174.700 -0.164 0.000 1.062 292 T CA 0.439 62.207 62.100 -0.553 0.000 1.083 292 T CB 0.849 69.417 68.868 -0.500 0.000 0.984 292 T HN 0.968 nan 8.240 nan 0.000 0.542 293 R N 0.473 120.810 120.500 -0.272 0.000 2.127 293 R HA -0.138 4.202 4.340 -0.000 0.000 0.238 293 R C 1.919 178.150 176.300 -0.116 0.000 1.134 293 R CA 1.691 57.545 56.100 -0.410 0.000 0.975 293 R CB -0.281 29.404 30.300 -1.024 0.000 0.865 293 R HN 0.788 nan 8.270 nan 0.000 0.447 294 E N -0.602 119.525 120.200 -0.121 0.000 2.110 294 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 294 E C 1.466 178.080 176.600 0.023 0.000 0.988 294 E CA 1.405 57.785 56.400 -0.034 0.000 0.804 294 E CB -0.409 29.249 29.700 -0.070 0.000 0.745 294 E HN 0.484 nan 8.360 nan 0.000 0.458 295 Y N 0.485 120.713 120.300 -0.121 0.000 2.145 295 Y HA -0.244 4.306 4.550 -0.000 0.000 0.286 295 Y C 2.009 177.871 175.900 -0.063 0.000 1.145 295 Y CA 1.272 59.309 58.100 -0.106 0.000 1.148 295 Y CB -0.155 38.215 38.460 -0.151 0.000 0.981 295 Y HN -0.122 nan 8.280 nan 0.000 0.507 296 V N 0.332 120.357 119.914 0.186 0.000 2.287 296 V HA -0.304 3.815 4.120 -0.000 0.000 0.248 296 V C 2.639 178.580 176.094 -0.256 0.000 1.053 296 V CA 2.041 64.378 62.300 0.063 0.000 1.027 296 V CB -1.611 30.370 31.823 0.263 0.000 0.646 296 V HN 0.656 nan 8.190 nan 0.000 0.447 297 G N -1.896 106.632 108.800 -0.453 0.000 2.442 297 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.219 297 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.219 297 G C 1.567 176.245 174.900 -0.369 0.000 1.141 297 G CA 1.113 45.699 45.100 -0.857 0.000 0.763 297 G HN 0.554 nan 8.290 nan 0.000 0.554 298 Y N 0.720 120.837 120.300 -0.304 0.000 2.200 298 Y HA -0.067 4.483 4.550 -0.001 0.000 0.290 298 Y C 2.919 178.663 175.900 -0.259 0.000 1.137 298 Y CA 1.339 59.288 58.100 -0.252 0.000 1.163 298 Y CB -0.098 38.212 38.460 -0.250 0.000 0.988 298 Y HN 0.045 nan 8.280 nan 0.000 0.518 299 V N 0.337 120.165 119.914 -0.143 0.000 2.343 299 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 299 V C 2.276 178.299 176.094 -0.118 0.000 1.051 299 V CA 2.037 64.258 62.300 -0.131 0.000 1.036 299 V CB -0.662 31.107 31.823 -0.091 0.000 0.654 299 V HN 0.424 nan 8.190 nan 0.000 0.451 300 L N -0.668 120.456 121.223 -0.165 0.000 2.217 300 L HA -0.111 4.229 4.340 -0.000 0.000 0.211 300 L C 2.316 179.090 176.870 -0.159 0.000 1.107 300 L CA 1.457 56.211 54.840 -0.144 0.000 0.783 300 L CB -0.320 41.611 42.059 -0.212 0.000 0.919 300 L HN 0.434 nan 8.230 nan 0.000 0.442 301 E N -1.526 118.533 120.200 -0.235 0.000 2.364 301 E HA 0.026 4.376 4.350 -0.000 0.000 0.203 301 E C 0.649 177.083 176.600 -0.277 0.000 0.888 301 E CA -0.319 55.947 56.400 -0.224 0.000 0.989 301 E CB 0.247 29.815 29.700 -0.220 0.000 0.985 301 E HN 0.260 nan 8.360 nan 0.000 0.499 302 N N 2.264 120.696 118.700 -0.448 0.000 2.447 302 N HA -0.086 4.654 4.740 -0.000 0.000 0.263 302 N C 0.479 175.834 175.510 -0.259 0.000 1.226 302 N CA 0.387 53.137 53.050 -0.501 0.000 0.906 302 N CB 0.849 38.765 38.487 -0.952 0.000 1.060 302 N HN 0.184 nan 8.380 nan 0.000 0.468 303 E N 3.073 123.160 120.200 -0.188 0.000 2.051 303 E HA -0.211 4.138 4.350 -0.000 0.000 0.192 303 E C 1.006 177.554 176.600 -0.086 0.000 0.991 303 E CA 1.185 57.518 56.400 -0.111 0.000 0.799 303 E CB 0.032 29.680 29.700 -0.087 0.000 0.748 303 E HN 0.612 nan 8.360 nan 0.000 0.449 304 N N 0.797 119.447 118.700 -0.084 0.000 2.166 304 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 304 N C 1.743 177.227 175.510 -0.043 0.000 1.019 304 N CA 0.861 53.879 53.050 -0.054 0.000 0.856 304 N CB -0.147 38.320 38.487 -0.033 0.000 0.993 304 N HN 0.147 nan 8.380 nan 0.000 0.426 305 I N 1.402 121.941 120.570 -0.051 0.000 2.286 305 I HA -0.176 3.994 4.170 -0.000 0.000 0.248 305 I C 1.995 178.103 176.117 -0.014 0.000 1.115 305 I CA 1.050 62.335 61.300 -0.024 0.000 1.392 305 I CB -1.046 36.930 38.000 -0.039 0.000 1.065 305 I HN 0.171 nan 8.210 nan 0.000 0.418 306 Q N 0.974 120.752 119.800 -0.036 0.000 2.084 306 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 306 Q C 2.116 178.110 176.000 -0.009 0.000 0.978 306 Q CA 1.178 56.972 55.803 -0.015 0.000 0.844 306 Q CB -0.484 28.236 28.738 -0.030 0.000 0.898 306 Q HN 0.452 nan 8.270 nan 0.000 0.426 307 K N 0.657 121.047 120.400 -0.017 0.000 2.057 307 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 307 K C 2.168 178.784 176.600 0.027 0.000 1.049 307 K CA 0.529 56.812 56.287 -0.006 0.000 0.931 307 K CB -0.533 31.950 32.500 -0.027 0.000 0.714 307 K HN 0.164 nan 8.250 nan 0.000 0.440 308 L N 1.159 122.394 121.223 0.019 0.000 2.046 308 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 308 L C 2.215 179.180 176.870 0.158 0.000 1.077 308 L CA 1.587 56.472 54.840 0.075 0.000 0.747 308 L CB -0.398 41.685 42.059 0.040 0.000 0.896 308 L HN 0.109 nan 8.230 nan 0.000 0.432 309 M N -0.481 119.155 119.600 0.060 0.000 2.159 309 M HA -0.180 4.299 4.480 -0.000 0.000 0.263 309 M C 2.053 178.118 176.300 -0.392 0.000 1.063 309 M CA 2.022 57.292 55.300 -0.050 0.000 1.110 309 M CB -0.549 32.139 32.600 0.147 0.000 1.374 309 M HN 0.447 nan 8.290 nan 0.000 0.411 310 E N -0.426 119.658 120.200 -0.193 0.000 2.150 310 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 310 E C 1.890 178.378 176.600 -0.188 0.000 0.985 310 E CA 1.200 57.449 56.400 -0.251 0.000 0.814 310 E CB -0.704 28.933 29.700 -0.105 0.000 0.752 310 E HN 0.688 nan 8.360 nan 0.000 0.466 311 W N 2.310 123.487 121.300 -0.205 0.000 2.388 311 W HA 0.027 4.687 4.660 -0.000 0.000 0.294 311 W C 2.211 178.666 176.519 -0.106 0.000 1.212 311 W CA 1.847 59.123 57.345 -0.115 0.000 1.271 311 W CB -0.065 29.364 29.460 -0.051 0.000 1.126 311 W HN 0.110 nan 8.180 nan 0.000 0.535 312 A N 0.096 122.839 122.820 -0.128 0.000 2.167 312 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 312 A C 1.809 179.130 177.584 -0.438 0.000 1.151 312 A CA 1.134 53.017 52.037 -0.257 0.000 0.735 312 A CB -0.591 18.484 19.000 0.125 0.000 0.802 312 A HN 0.543 nan 8.150 nan 0.000 0.467 313 Q N 0.390 119.728 119.800 -0.769 0.000 2.197 313 Q HA -0.202 4.138 4.340 -0.000 0.000 0.207 313 Q C 0.337 176.191 176.000 -0.242 0.000 0.984 313 Q CA 1.431 56.766 55.803 -0.779 0.000 0.869 313 Q CB -0.195 28.036 28.738 -0.844 0.000 0.906 313 Q HN 0.890 nan 8.270 nan 0.000 0.426 314 D N -0.271 120.002 120.400 -0.213 0.000 2.643 314 D HA 0.010 4.650 4.640 -0.000 0.000 0.244 314 D C 0.077 176.404 176.300 0.044 0.000 1.257 314 D CA -0.083 53.886 54.000 -0.052 0.000 0.831 314 D CB -0.168 40.599 40.800 -0.055 0.000 1.043 314 D HN 0.032 nan 8.370 nan 0.000 0.488 315 T N -3.389 111.161 114.554 -0.008 0.000 2.923 315 T HA 0.422 4.772 4.350 -0.000 0.000 0.281 315 T C -0.449 174.204 174.700 -0.079 0.000 0.995 315 T CA -0.902 61.239 62.100 0.069 0.000 0.985 315 T CB 1.413 70.370 68.868 0.147 0.000 1.114 315 T HN 0.075 nan 8.240 nan 0.000 0.548 316 Y N 0.495 120.536 120.300 -0.432 0.000 2.313 316 Y HA 0.400 4.950 4.550 -0.000 0.000 0.332 316 Y C 0.706 176.493 175.900 -0.188 0.000 1.071 316 Y CA -0.078 57.661 58.100 -0.601 0.000 1.169 316 Y CB 0.534 38.366 38.460 -1.046 0.000 1.192 316 Y HN 1.005 nan 8.280 nan 0.000 0.487 317 S N 6.114 121.381 115.700 -0.721 0.000 3.447 317 S HA -0.136 4.334 4.470 -0.000 0.000 0.371 317 S C -1.749 172.697 174.600 -0.256 0.000 0.951 317 S CA 0.572 58.490 58.200 -0.469 0.000 1.269 317 S CB -0.831 62.171 63.200 -0.330 0.000 0.919 317 S HN 0.789 nan 8.310 nan 0.000 0.516 318 P HA -0.145 nan 4.420 nan 0.000 0.222 318 P C 1.309 178.125 177.300 -0.807 0.000 1.147 318 P CA 1.446 64.096 63.100 -0.749 0.000 0.790 318 P CB -0.070 31.439 31.700 -0.318 0.000 0.780 319 D N 0.726 120.842 120.400 -0.474 0.000 2.263 319 D HA -0.186 4.454 4.640 -0.000 0.000 0.208 319 D C 1.236 177.427 176.300 -0.182 0.000 0.971 319 D CA 0.942 54.736 54.000 -0.344 0.000 0.867 319 D CB -0.827 39.860 40.800 -0.189 0.000 0.929 319 D HN 0.270 nan 8.370 nan 0.000 0.492 320 E N -1.029 119.090 120.200 -0.136 0.000 2.476 320 E HA 0.085 4.435 4.350 -0.000 0.000 0.191 320 E C 0.405 177.125 176.600 0.199 0.000 1.064 320 E CA -0.065 56.373 56.400 0.063 0.000 0.866 320 E CB -0.018 29.745 29.700 0.106 0.000 0.952 320 E HN 0.539 nan 8.360 nan 0.000 0.492 321 F N -3.176 116.804 119.950 0.050 0.000 2.839 321 F HA 0.210 4.737 4.527 -0.000 0.000 0.355 321 F C 1.151 176.969 175.800 0.030 0.000 0.904 321 F CA -0.451 57.594 58.000 0.075 0.000 1.098 321 F CB -0.259 38.782 39.000 0.068 0.000 0.982 321 F HN -0.098 nan 8.300 nan 0.000 0.600 322 L N 0.775 121.745 121.223 -0.422 0.000 1.970 322 L HA -0.031 4.309 4.340 -0.000 0.000 0.212 322 L C 2.015 178.796 176.870 -0.148 0.000 1.071 322 L CA 2.455 57.077 54.840 -0.363 0.000 0.751 322 L CB -0.903 40.642 42.059 -0.858 0.000 0.889 322 L HN 0.329 nan 8.230 nan 0.000 0.432 323 W N -0.772 120.584 121.300 0.093 0.000 2.358 323 W HA -0.123 4.537 4.660 -0.000 0.000 0.303 323 W C 2.532 179.136 176.519 0.142 0.000 1.208 323 W CA 0.637 58.056 57.345 0.124 0.000 1.274 323 W CB -0.715 28.815 29.460 0.118 0.000 1.138 323 W HN 0.256 nan 8.180 nan 0.000 0.515 324 A N 0.146 123.185 122.820 0.366 0.000 1.972 324 A HA -0.159 4.160 4.320 -0.000 0.000 0.219 324 A C 1.851 179.563 177.584 0.214 0.000 1.169 324 A CA 2.210 54.416 52.037 0.282 0.000 0.635 324 A CB -1.099 18.101 19.000 0.333 0.000 0.810 324 A HN 0.255 nan 8.150 nan 0.000 0.446 325 T N -0.002 114.717 114.554 0.276 0.000 2.809 325 T HA 0.033 4.383 4.350 -0.000 0.000 0.260 325 T C 1.783 176.555 174.700 0.121 0.000 1.039 325 T CA 1.205 63.465 62.100 0.266 0.000 1.141 325 T CB -0.318 68.730 68.868 0.300 0.000 0.869 325 T HN 0.408 nan 8.240 nan 0.000 0.437 326 I N 1.456 122.107 120.570 0.135 0.000 2.361 326 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 326 I C 2.661 178.805 176.117 0.046 0.000 1.133 326 I CA 1.082 62.427 61.300 0.076 0.000 1.413 326 I CB -0.321 37.731 38.000 0.086 0.000 1.073 326 I HN 0.204 nan 8.210 nan 0.000 0.424 327 Q N 1.175 121.030 119.800 0.092 0.000 2.439 327 Q HA -0.138 4.202 4.340 -0.000 0.000 0.211 327 Q C 1.516 177.365 176.000 -0.253 0.000 0.978 327 Q CA 1.363 57.129 55.803 -0.061 0.000 0.897 327 Q CB 0.066 28.723 28.738 -0.134 0.000 0.956 327 Q HN 0.271 nan 8.270 nan 0.000 0.483 328 R N -0.498 119.855 120.500 -0.245 0.000 2.472 328 R HA 0.326 4.666 4.340 -0.000 0.000 0.279 328 R C -0.197 176.011 176.300 -0.153 0.000 0.953 328 R CA -0.146 55.769 56.100 -0.308 0.000 1.088 328 R CB 0.279 30.138 30.300 -0.735 0.000 1.197 328 R HN 0.244 nan 8.270 nan 0.000 0.536 329 I N 4.961 125.464 120.570 -0.112 0.000 2.416 329 I HA 0.124 4.294 4.170 -0.000 0.000 0.288 329 I C -1.814 174.234 176.117 -0.115 0.000 1.051 329 I CA -1.923 59.331 61.300 -0.076 0.000 1.375 329 I CB 1.099 39.069 38.000 -0.050 0.000 1.407 329 I HN -0.289 nan 8.210 nan 0.000 0.516 330 P HA 0.012 nan 4.420 nan 0.000 0.266 330 P C -0.195 177.032 177.300 -0.122 0.000 1.195 330 P CA 0.342 63.387 63.100 -0.092 0.000 0.768 330 P CB 0.718 32.387 31.700 -0.051 0.000 0.838 331 E N -1.845 118.262 120.200 -0.156 0.000 4.153 331 E HA -0.131 4.219 4.350 -0.000 0.000 0.376 331 E C -0.113 176.204 176.600 -0.472 0.000 0.598 331 E CA 0.324 56.605 56.400 -0.199 0.000 1.343 331 E CB -1.704 27.947 29.700 -0.081 0.000 1.793 331 E HN 0.233 nan 8.360 nan 0.000 0.392 332 V N 2.867 122.447 119.914 -0.557 0.000 2.572 332 V HA 0.114 4.234 4.120 -0.000 0.000 0.291 332 V C -1.962 173.847 176.094 -0.476 0.000 1.039 332 V CA -0.713 61.080 62.300 -0.845 0.000 1.055 332 V CB 0.513 32.023 31.823 -0.523 0.000 0.969 332 V HN -0.037 nan 8.190 nan 0.000 0.482 333 P HA 0.205 nan 4.420 nan 0.000 0.267 333 P C 0.851 178.090 177.300 -0.101 0.000 1.209 333 P CA 1.185 64.169 63.100 -0.193 0.000 0.763 333 P CB 0.570 32.191 31.700 -0.132 0.000 0.816 334 G N 2.007 110.752 108.800 -0.091 0.000 2.162 334 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 334 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 334 G C 0.445 175.235 174.900 -0.184 0.000 0.976 334 G CA 0.349 45.403 45.100 -0.076 0.000 0.655 334 G HN 0.747 nan 8.290 nan 0.000 0.533 335 S N -0.564 115.010 115.700 -0.211 0.000 2.634 335 S HA 0.782 5.251 4.470 -0.000 0.000 0.261 335 S C 0.083 174.536 174.600 -0.245 0.000 1.271 335 S CA -0.460 57.531 58.200 -0.349 0.000 0.985 335 S CB 1.159 64.212 63.200 -0.245 0.000 0.968 335 S HN 0.497 nan 8.310 nan 0.000 0.568 336 F N -0.137 119.703 119.950 -0.183 0.000 2.538 336 F HA 0.537 5.064 4.527 -0.000 0.000 0.325 336 F C -2.375 173.181 175.800 -0.406 0.000 1.066 336 F CA -2.987 54.818 58.000 -0.325 0.000 0.946 336 F CB 1.561 40.426 39.000 -0.224 0.000 1.199 336 F HN 0.306 nan 8.300 nan 0.000 0.473 337 P HA -0.002 nan 4.420 nan 0.000 0.270 337 P C 0.327 177.575 177.300 -0.087 0.000 1.223 337 P CA 0.062 62.989 63.100 -0.287 0.000 0.785 337 P CB 0.679 32.141 31.700 -0.397 0.000 0.923 338 S N -0.748 114.972 115.700 0.032 0.000 2.515 338 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 338 S C 1.051 175.864 174.600 0.355 0.000 0.987 338 S CA 0.127 58.443 58.200 0.193 0.000 0.936 338 S CB -0.748 62.622 63.200 0.282 0.000 0.766 338 S HN 0.494 nan 8.310 nan 0.000 0.528 339 S N 1.791 117.671 115.700 0.299 0.000 2.552 339 S HA 0.079 4.548 4.470 -0.000 0.000 0.289 339 S C 0.850 175.665 174.600 0.358 0.000 1.304 339 S CA -0.285 58.106 58.200 0.318 0.000 1.063 339 S CB -0.246 63.156 63.200 0.336 0.000 0.848 339 S HN 0.580 nan 8.310 nan 0.000 0.499 340 N N 3.312 122.172 118.700 0.267 0.000 2.585 340 N HA -0.070 4.669 4.740 -0.000 0.000 0.188 340 N C 1.408 177.006 175.510 0.145 0.000 1.102 340 N CA 0.541 53.735 53.050 0.241 0.000 0.920 340 N CB -0.024 38.563 38.487 0.168 0.000 0.963 340 N HN 0.621 nan 8.380 nan 0.000 0.447 341 K N -0.058 120.382 120.400 0.067 0.000 2.283 341 K HA -0.110 4.210 4.320 -0.000 0.000 0.202 341 K C 0.450 176.896 176.600 -0.257 0.000 1.048 341 K CA 0.959 57.163 56.287 -0.138 0.000 0.948 341 K CB 0.063 32.391 32.500 -0.287 0.000 0.742 341 K HN 0.372 nan 8.250 nan 0.000 0.458 342 Y N 0.813 121.125 120.300 0.019 0.000 2.457 342 Y HA 0.085 4.635 4.550 -0.000 0.000 0.263 342 Y C -0.030 175.859 175.900 -0.018 0.000 1.164 342 Y CA -0.756 57.304 58.100 -0.067 0.000 1.274 342 Y CB 0.145 38.566 38.460 -0.065 0.000 1.097 342 Y HN -0.097 nan 8.280 nan 0.000 0.523 343 D N 1.221 121.741 120.400 0.199 0.000 2.472 343 D HA 0.080 4.719 4.640 -0.000 0.000 0.237 343 D C -0.370 176.031 176.300 0.167 0.000 1.141 343 D CA 0.811 54.946 54.000 0.225 0.000 0.875 343 D CB 0.815 41.753 40.800 0.230 0.000 1.192 343 D HN 0.123 nan 8.370 nan 0.000 0.450 344 L N 1.810 123.165 121.223 0.220 0.000 2.349 344 L HA 0.232 4.572 4.340 -0.000 0.000 0.278 344 L C 0.508 177.513 176.870 0.224 0.000 0.996 344 L CA -0.672 54.291 54.840 0.206 0.000 0.825 344 L CB 1.607 43.822 42.059 0.261 0.000 1.243 344 L HN 0.425 nan 8.230 nan 0.000 0.412 345 S N -0.009 115.810 115.700 0.198 0.000 2.634 345 S HA 0.092 4.562 4.470 -0.000 0.000 0.261 345 S C 0.849 175.606 174.600 0.263 0.000 1.271 345 S CA -0.299 58.023 58.200 0.203 0.000 0.985 345 S CB 1.019 64.313 63.200 0.156 0.000 0.968 345 S HN 0.725 nan 8.310 nan 0.000 0.568 346 D N 0.416 120.982 120.400 0.277 0.000 2.219 346 D HA -0.146 4.493 4.640 -0.000 0.000 0.205 346 D C 1.588 178.178 176.300 0.483 0.000 0.970 346 D CA 1.059 55.273 54.000 0.357 0.000 0.851 346 D CB -0.338 40.667 40.800 0.341 0.000 0.943 346 D HN 0.385 nan 8.370 nan 0.000 0.488 347 M N 0.267 120.121 119.600 0.424 0.000 2.334 347 M HA 0.040 4.519 4.480 -0.000 0.000 0.266 347 M C 1.301 177.864 176.300 0.438 0.000 1.082 347 M CA 0.670 56.285 55.300 0.525 0.000 1.141 347 M CB -0.799 32.026 32.600 0.375 0.000 1.380 347 M HN -0.000 nan 8.290 nan 0.000 0.440 348 N N 0.738 119.627 118.700 0.314 0.000 2.409 348 N HA 0.092 4.831 4.740 -0.000 0.000 0.179 348 N C 0.543 176.236 175.510 0.305 0.000 1.032 348 N CA 0.350 53.560 53.050 0.267 0.000 0.898 348 N CB 0.065 38.654 38.487 0.170 0.000 0.971 348 N HN 0.230 nan 8.380 nan 0.000 0.441 349 A N 0.655 123.654 122.820 0.299 0.000 2.287 349 A HA 0.418 4.738 4.320 -0.000 0.000 0.273 349 A C 1.241 178.872 177.584 0.078 0.000 1.091 349 A CA -0.399 51.766 52.037 0.213 0.000 0.817 349 A CB 0.156 19.321 19.000 0.274 0.000 1.069 349 A HN 0.284 nan 8.150 nan 0.000 0.492 350 I N -2.596 117.922 120.570 -0.088 0.000 4.018 350 I HA 0.351 4.521 4.170 -0.000 0.000 0.337 350 I C 1.498 177.682 176.117 0.112 0.000 1.327 350 I CA 0.683 61.807 61.300 -0.293 0.000 1.100 350 I CB 0.039 37.768 38.000 -0.451 0.000 1.025 350 I HN 0.455 nan 8.210 nan 0.000 0.396 351 A N 2.018 124.978 122.820 0.234 0.000 1.851 351 A HA -0.051 4.269 4.320 -0.000 0.000 0.216 351 A C 1.369 179.164 177.584 0.352 0.000 1.195 351 A CA 1.479 53.678 52.037 0.270 0.000 0.622 351 A CB -0.224 18.934 19.000 0.263 0.000 0.831 351 A HN 0.548 nan 8.150 nan 0.000 0.444 352 R N -2.746 118.015 120.500 0.436 0.000 2.535 352 R HA 0.452 4.792 4.340 -0.000 0.000 0.274 352 R C -1.769 174.633 176.300 0.171 0.000 1.090 352 R CA -0.606 55.690 56.100 0.327 0.000 0.930 352 R CB 0.754 31.171 30.300 0.195 0.000 1.223 352 R HN 0.249 nan 8.270 nan 0.000 0.441 353 F N 5.487 125.371 119.950 -0.110 0.000 2.421 353 F HA 0.605 5.132 4.527 -0.000 0.000 0.358 353 F C -1.054 174.727 175.800 -0.032 0.000 1.115 353 F CA -0.247 57.536 58.000 -0.361 0.000 1.160 353 F CB 0.752 39.582 39.000 -0.284 0.000 1.123 353 F HN 0.193 nan 8.300 nan 0.000 0.508 354 V N 6.407 125.893 119.914 -0.713 0.000 2.686 354 V HA 0.349 4.469 4.120 -0.000 0.000 0.306 354 V C -0.733 174.804 176.094 -0.928 0.000 1.065 354 V CA -1.204 60.726 62.300 -0.616 0.000 0.894 354 V CB 2.197 33.855 31.823 -0.275 0.000 1.004 354 V HN 0.573 nan 8.190 nan 0.000 0.424 355 K N 3.446 123.267 120.400 -0.966 0.000 2.213 355 K HA 0.432 4.752 4.320 -0.000 0.000 0.270 355 K C -1.503 174.745 176.600 -0.586 0.000 1.002 355 K CA -0.330 55.369 56.287 -0.980 0.000 0.868 355 K CB 1.490 33.579 32.500 -0.686 0.000 1.093 355 K HN 0.567 nan 8.250 nan 0.000 0.454 356 W N 2.514 123.781 121.300 -0.055 0.000 2.391 356 W HA 0.180 4.839 4.660 -0.000 0.000 0.311 356 W C 1.520 177.888 176.519 -0.253 0.000 1.087 356 W CA -0.326 56.892 57.345 -0.213 0.000 1.209 356 W CB 1.138 30.386 29.460 -0.352 0.000 1.273 356 W HN 0.692 nan 8.180 nan 0.000 0.482 357 Q N 2.317 122.000 119.800 -0.195 0.000 2.156 357 Q HA -0.330 4.010 4.340 -0.000 0.000 0.211 357 Q C 1.536 177.434 176.000 -0.170 0.000 0.995 357 Q CA 2.708 58.313 55.803 -0.329 0.000 0.877 357 Q CB -0.328 28.000 28.738 -0.685 0.000 0.920 357 Q HN 0.761 nan 8.270 nan 0.000 0.416 358 Y N -3.031 117.266 120.300 -0.005 0.000 2.616 358 Y HA 0.082 4.632 4.550 -0.000 0.000 0.296 358 Y C 0.905 176.694 175.900 -0.185 0.000 1.154 358 Y CA 0.022 58.030 58.100 -0.152 0.000 1.325 358 Y CB -0.316 37.970 38.460 -0.290 0.000 1.007 358 Y HN 0.058 nan 8.280 nan 0.000 0.542 359 F N 0.577 120.642 119.950 0.192 0.000 2.694 359 F HA 0.236 4.763 4.527 -0.000 0.000 0.292 359 F C 0.890 176.679 175.800 -0.019 0.000 1.121 359 F CA -1.203 56.864 58.000 0.112 0.000 1.352 359 F CB -0.177 38.879 39.000 0.094 0.000 1.107 359 F HN -0.041 nan 8.300 nan 0.000 0.597 360 E N 0.247 120.630 120.200 0.306 0.000 2.415 360 E HA 0.411 4.761 4.350 -0.000 0.000 0.262 360 E C 0.645 177.307 176.600 0.103 0.000 1.038 360 E CA 0.672 57.218 56.400 0.242 0.000 0.921 360 E CB 0.420 30.285 29.700 0.274 0.000 0.950 360 E HN 0.306 nan 8.360 nan 0.000 0.438 361 G N 1.653 110.481 108.800 0.046 0.000 2.367 361 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.272 361 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.272 361 G C -1.532 173.355 174.900 -0.022 0.000 1.271 361 G CA -0.887 44.223 45.100 0.017 0.000 0.893 361 G HN 0.512 nan 8.290 nan 0.000 0.485 362 D N 0.815 121.207 120.400 -0.013 0.000 2.342 362 D HA 0.295 4.934 4.640 -0.000 0.000 0.260 362 D C 1.868 178.154 176.300 -0.023 0.000 1.278 362 D CA -0.019 53.970 54.000 -0.019 0.000 0.910 362 D CB 1.363 42.163 40.800 -0.001 0.000 1.079 362 D HN 0.132 nan 8.370 nan 0.000 0.496 363 V N 3.448 123.335 119.914 -0.045 0.000 2.392 363 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 363 V C 2.225 178.339 176.094 0.032 0.000 1.059 363 V CA 1.531 63.822 62.300 -0.015 0.000 1.051 363 V CB -0.359 31.462 31.823 -0.003 0.000 0.658 363 V HN 0.500 nan 8.190 nan 0.000 0.455 364 S N -0.008 115.711 115.700 0.032 0.000 2.603 364 S HA -0.011 4.459 4.470 -0.000 0.000 0.229 364 S C 1.436 176.053 174.600 0.027 0.000 0.972 364 S CA 0.465 58.688 58.200 0.039 0.000 0.935 364 S CB -0.327 62.895 63.200 0.037 0.000 0.769 364 S HN 0.584 nan 8.310 nan 0.000 0.536 365 N N -0.048 118.664 118.700 0.020 0.000 2.241 365 N HA 0.183 4.923 4.740 -0.000 0.000 0.238 365 N C 0.795 176.316 175.510 0.018 0.000 1.244 365 N CA 0.654 53.715 53.050 0.018 0.000 0.880 365 N CB 0.972 39.468 38.487 0.015 0.000 1.179 365 N HN 0.429 nan 8.380 nan 0.000 0.513 366 G N -0.121 108.690 108.800 0.018 0.000 2.201 366 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.212 366 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.212 366 G C 0.195 175.094 174.900 -0.001 0.000 0.994 366 G CA 0.003 45.112 45.100 0.016 0.000 0.644 366 G HN 0.539 nan 8.290 nan 0.000 0.508 367 A N 0.746 123.556 122.820 -0.018 0.000 2.401 367 A HA 0.710 5.030 4.320 -0.000 0.000 0.259 367 A C -0.400 177.098 177.584 -0.143 0.000 1.103 367 A CA -0.351 51.641 52.037 -0.074 0.000 0.789 367 A CB 0.737 19.696 19.000 -0.069 0.000 1.035 367 A HN 0.068 nan 8.150 nan 0.000 0.491 368 P HA 0.040 nan 4.420 nan 0.000 0.221 368 P C -0.717 176.474 177.300 -0.181 0.000 1.150 368 P CA 1.367 64.262 63.100 -0.342 0.000 0.800 368 P CB -0.065 31.222 31.700 -0.688 0.000 0.787 369 Y N -7.019 113.278 120.300 -0.005 0.000 2.702 369 Y HA 0.586 5.136 4.550 -0.000 0.000 0.336 369 Y C -3.311 172.367 175.900 -0.370 0.000 1.203 369 Y CA -4.014 53.875 58.100 -0.351 0.000 1.072 369 Y CB -0.586 37.855 38.460 -0.032 0.000 1.327 369 Y HN -0.377 nan 8.280 nan 0.000 0.456 370 P HA 0.188 nan 4.420 nan 0.000 0.272 370 P C -2.545 174.754 177.300 -0.000 0.000 1.240 370 P CA -0.890 62.064 63.100 -0.243 0.000 0.791 370 P CB 0.174 31.625 31.700 -0.415 0.000 0.978 371 P HA -0.047 nan 4.420 nan 0.000 0.272 371 P C -0.180 177.159 177.300 0.065 0.000 1.223 371 P CA -0.093 63.057 63.100 0.084 0.000 0.784 371 P CB 0.433 32.170 31.700 0.063 0.000 0.923 372 c N 2.218 120.859 118.600 0.069 0.000 2.653 372 c HA 0.091 4.661 4.570 -0.000 0.000 0.421 372 c C 1.961 176.026 174.090 -0.042 0.000 1.334 372 c CA 0.500 56.796 56.329 -0.056 0.000 1.885 372 c CB -1.170 41.108 42.510 -0.386 0.000 2.645 372 c HN 0.583 nan 8.230 nan 0.000 0.601 373 S N 2.858 118.545 115.700 -0.022 0.000 2.540 373 S HA 0.206 4.676 4.470 -0.000 0.000 0.218 373 S C 1.130 175.705 174.600 -0.041 0.000 0.977 373 S CA 0.431 58.623 58.200 -0.013 0.000 0.918 373 S CB 0.429 63.641 63.200 0.019 0.000 0.806 373 S HN 1.020 nan 8.310 nan 0.000 0.496 374 G N 1.514 110.257 108.800 -0.095 0.000 3.387 374 G HA2 0.586 4.546 3.960 -0.000 0.000 0.195 374 G HA3 0.586 4.546 3.960 -0.000 0.000 0.195 374 G C -0.195 174.605 174.900 -0.166 0.000 1.853 374 G CA 0.307 45.337 45.100 -0.116 0.000 0.879 374 G HN 0.503 nan 8.290 nan 0.000 0.651 375 V N -3.221 116.550 119.914 -0.238 0.000 3.114 375 V HA 0.734 4.854 4.120 -0.000 0.000 0.308 375 V C -1.434 174.459 176.094 -0.336 0.000 1.168 375 V CA -1.222 60.953 62.300 -0.209 0.000 1.015 375 V CB 1.491 33.253 31.823 -0.102 0.000 1.050 375 V HN 0.616 nan 8.190 nan 0.000 0.433 376 H N 0.712 119.713 119.070 -0.115 0.000 2.473 376 H HA 0.803 5.359 4.556 -0.000 0.000 0.327 376 H C -0.594 174.666 175.328 -0.114 0.000 1.105 376 H CA -0.381 55.582 56.048 -0.141 0.000 1.280 376 H CB 1.943 31.640 29.762 -0.108 0.000 1.450 376 H HN 0.656 nan 8.280 nan 0.000 0.492 377 V N 4.684 124.582 119.914 -0.027 0.000 2.409 377 V HA 0.242 4.362 4.120 -0.000 0.000 0.290 377 V C 0.089 176.170 176.094 -0.021 0.000 1.017 377 V CA -0.863 61.416 62.300 -0.034 0.000 0.841 377 V CB 1.089 32.870 31.823 -0.070 0.000 1.003 377 V HN 0.919 nan 8.190 nan 0.000 0.426 378 R N 3.572 124.084 120.500 0.021 0.000 3.416 378 R HA -0.209 4.130 4.340 -0.000 0.000 0.263 378 R C 0.914 177.286 176.300 0.119 0.000 1.053 378 R CA 0.591 56.732 56.100 0.068 0.000 0.705 378 R CB -1.927 28.412 30.300 0.064 0.000 1.124 378 R HN 0.945 nan 8.270 nan 0.000 0.444 379 S N -3.584 112.167 115.700 0.086 0.000 2.929 379 S HA -0.159 4.311 4.470 -0.000 0.000 0.271 379 S C 0.386 174.950 174.600 -0.060 0.000 1.295 379 S CA 1.254 59.500 58.200 0.077 0.000 1.277 379 S CB -0.636 62.757 63.200 0.323 0.000 1.557 379 S HN 0.325 nan 8.310 nan 0.000 0.666 380 V N 1.616 121.413 119.914 -0.196 0.000 2.472 380 V HA 0.439 4.559 4.120 -0.000 0.000 0.290 380 V C 0.942 176.806 176.094 -0.385 0.000 1.037 380 V CA -0.761 61.229 62.300 -0.516 0.000 0.908 380 V CB 1.528 32.975 31.823 -0.626 0.000 0.985 380 V HN 0.611 nan 8.190 nan 0.000 0.454 381 c N 6.204 124.466 118.600 -0.564 0.000 2.576 381 c HA 0.493 5.063 4.570 -0.000 0.000 0.401 381 c C 0.318 173.854 174.090 -0.924 0.000 1.314 381 c CA -0.263 55.612 56.329 -0.757 0.000 1.855 381 c CB -0.362 41.724 42.510 -0.707 0.000 2.537 381 c HN 0.690 nan 8.230 nan 0.000 0.578 382 V N 8.741 128.236 119.914 -0.698 0.000 2.304 382 V HA 0.274 4.393 4.120 -0.000 0.000 0.269 382 V C 0.023 175.806 176.094 -0.519 0.000 1.036 382 V CA -0.311 61.626 62.300 -0.606 0.000 0.840 382 V CB -0.248 31.383 31.823 -0.320 0.000 1.036 382 V HN 0.762 nan 8.190 nan 0.000 0.466 383 F N 3.139 122.855 119.950 -0.391 0.000 2.635 383 F HA 0.345 4.872 4.527 -0.000 0.000 0.379 383 F C 1.299 177.021 175.800 -0.130 0.000 1.094 383 F CA 0.756 58.574 58.000 -0.304 0.000 1.300 383 F CB 0.065 38.774 39.000 -0.484 0.000 1.035 383 F HN 0.512 nan 8.300 nan 0.000 0.581 384 G N 0.621 109.501 108.800 0.134 0.000 2.537 384 G HA2 0.539 4.499 3.960 -0.000 0.000 0.323 384 G HA3 0.539 4.499 3.960 -0.000 0.000 0.323 384 G C 0.489 175.455 174.900 0.109 0.000 1.207 384 G CA -0.454 44.695 45.100 0.082 0.000 0.976 384 G HN 0.847 nan 8.290 nan 0.000 0.487 385 A N -0.310 122.560 122.820 0.084 0.000 2.024 385 A HA 0.055 4.375 4.320 -0.000 0.000 0.220 385 A C 2.433 180.048 177.584 0.052 0.000 1.164 385 A CA 2.317 54.402 52.037 0.080 0.000 0.643 385 A CB -0.739 18.301 19.000 0.067 0.000 0.806 385 A HN 1.154 nan 8.150 nan 0.000 0.451 386 G N -0.954 107.869 108.800 0.039 0.000 2.534 386 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.217 386 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.217 386 G C 0.998 175.931 174.900 0.055 0.000 1.128 386 G CA 0.938 46.058 45.100 0.035 0.000 0.784 386 G HN 0.512 nan 8.290 nan 0.000 0.542 387 D N 0.055 120.500 120.400 0.074 0.000 2.249 387 D HA -0.004 4.636 4.640 -0.000 0.000 0.205 387 D C 2.364 178.683 176.300 0.032 0.000 0.962 387 D CA -0.021 54.033 54.000 0.090 0.000 0.860 387 D CB 0.199 41.098 40.800 0.165 0.000 0.955 387 D HN 0.109 nan 8.370 nan 0.000 0.505 388 L N 1.163 122.391 121.223 0.008 0.000 1.990 388 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 388 L C 2.550 179.392 176.870 -0.046 0.000 1.072 388 L CA 1.411 56.231 54.840 -0.033 0.000 0.755 388 L CB -1.176 40.874 42.059 -0.014 0.000 0.889 388 L HN -0.061 nan 8.230 nan 0.000 0.432 389 S N -1.878 113.818 115.700 -0.008 0.000 2.359 389 S HA -0.302 4.167 4.470 -0.000 0.000 0.223 389 S C 1.868 176.473 174.600 0.009 0.000 1.039 389 S CA 1.812 60.004 58.200 -0.014 0.000 1.042 389 S CB -0.618 62.596 63.200 0.024 0.000 0.915 389 S HN 0.538 nan 8.310 nan 0.000 0.439 390 W N 1.554 122.798 121.300 -0.094 0.000 2.381 390 W HA 0.001 4.661 4.660 -0.000 0.000 0.301 390 W C 2.493 178.891 176.519 -0.202 0.000 1.205 390 W CA 1.710 58.996 57.345 -0.098 0.000 1.285 390 W CB -0.457 28.983 29.460 -0.033 0.000 1.133 390 W HN 0.307 nan 8.180 nan 0.000 0.521 391 M N 0.007 119.585 119.600 -0.035 0.000 2.082 391 M HA -0.283 4.197 4.480 -0.000 0.000 0.258 391 M C 1.932 177.976 176.300 -0.426 0.000 1.069 391 M CA 1.980 57.036 55.300 -0.406 0.000 1.102 391 M CB -0.762 31.620 32.600 -0.363 0.000 1.336 391 M HN 0.100 nan 8.290 nan 0.000 0.404 392 L N -0.443 120.620 121.223 -0.266 0.000 2.349 392 L HA -0.196 4.144 4.340 -0.000 0.000 0.220 392 L C 2.273 179.001 176.870 -0.238 0.000 1.130 392 L CA 0.941 55.656 54.840 -0.208 0.000 0.791 392 L CB -0.518 41.440 42.059 -0.168 0.000 0.918 392 L HN 0.342 nan 8.230 nan 0.000 0.444 393 R N -0.908 119.380 120.500 -0.353 0.000 2.297 393 R HA 0.025 4.365 4.340 -0.000 0.000 0.197 393 R C 0.412 176.470 176.300 -0.403 0.000 0.943 393 R CA -0.022 55.856 56.100 -0.369 0.000 1.038 393 R CB 0.206 30.235 30.300 -0.452 0.000 0.957 393 R HN 0.312 nan 8.270 nan 0.000 0.484 394 Q N 0.090 119.623 119.800 -0.444 0.000 2.318 394 Q HA 0.012 4.352 4.340 -0.000 0.000 0.222 394 Q C 0.934 176.899 176.000 -0.058 0.000 1.003 394 Q CA 0.330 55.953 55.803 -0.300 0.000 0.936 394 Q CB 0.578 29.133 28.738 -0.305 0.000 1.204 394 Q HN 0.494 nan 8.270 nan 0.000 0.524 395 H N -1.649 117.338 119.070 -0.138 0.000 2.539 395 H HA 0.194 4.750 4.556 -0.000 0.000 0.269 395 H C -0.207 175.019 175.328 -0.169 0.000 0.980 395 H CA -0.343 55.604 56.048 -0.168 0.000 1.152 395 H CB 0.261 29.913 29.762 -0.183 0.000 1.407 395 H HN 0.409 nan 8.280 nan 0.000 0.564 396 H N 1.179 120.388 119.070 0.232 0.000 2.852 396 H HA -0.019 4.537 4.556 -0.000 0.000 0.362 396 H C 1.235 176.585 175.328 0.036 0.000 1.122 396 H CA 0.346 56.474 56.048 0.133 0.000 1.419 396 H CB 2.055 31.991 29.762 0.290 0.000 1.401 396 H HN 0.298 nan 8.280 nan 0.000 0.609 397 L N 0.729 122.044 121.223 0.155 0.000 2.127 397 L HA 0.028 4.367 4.340 -0.000 0.000 0.203 397 L C 0.218 176.988 176.870 -0.167 0.000 1.080 397 L CA 1.128 55.978 54.840 0.018 0.000 0.768 397 L CB 0.059 42.222 42.059 0.173 0.000 0.924 397 L HN 0.273 nan 8.230 nan 0.000 0.444 398 F N -1.105 118.929 119.950 0.140 0.000 2.620 398 F HA 0.698 5.225 4.527 -0.000 0.000 0.320 398 F C 0.032 175.969 175.800 0.228 0.000 1.069 398 F CA -0.943 57.140 58.000 0.140 0.000 0.953 398 F CB 1.564 40.602 39.000 0.064 0.000 1.322 398 F HN -0.293 nan 8.300 nan 0.000 0.479 399 A N 1.584 124.712 122.820 0.513 0.000 2.454 399 A HA 0.711 5.031 4.320 -0.000 0.000 0.302 399 A C -1.543 176.380 177.584 0.566 0.000 1.079 399 A CA -0.631 51.728 52.037 0.536 0.000 0.731 399 A CB 1.858 21.168 19.000 0.518 0.000 1.299 399 A HN 0.728 nan 8.150 nan 0.000 0.413 400 N N 0.844 119.766 118.700 0.369 0.000 2.287 400 N HA 0.387 5.127 4.740 -0.000 0.000 0.289 400 N C -1.516 173.794 175.510 -0.334 0.000 1.066 400 N CA -0.348 52.752 53.050 0.082 0.000 0.841 400 N CB 1.841 40.290 38.487 -0.064 0.000 1.599 400 N HN 0.759 nan 8.380 nan 0.000 0.476 401 K N 1.479 121.447 120.400 -0.720 0.000 2.340 401 K HA 0.556 4.876 4.320 -0.000 0.000 0.244 401 K C -1.120 175.182 176.600 -0.496 0.000 0.973 401 K CA -0.645 55.429 56.287 -0.354 0.000 0.828 401 K CB 1.697 34.068 32.500 -0.216 0.000 1.226 401 K HN 0.199 nan 8.250 nan 0.000 0.437 402 F N 0.089 120.063 119.950 0.040 0.000 2.556 402 F HA 0.403 4.930 4.527 -0.000 0.000 0.327 402 F C -0.362 175.437 175.800 -0.002 0.000 1.059 402 F CA -0.421 57.614 58.000 0.058 0.000 0.953 402 F CB 1.981 41.038 39.000 0.094 0.000 1.227 402 F HN 0.532 nan 8.300 nan 0.000 0.478 403 D N 1.930 122.432 120.400 0.171 0.000 2.738 403 D HA 0.178 4.817 4.640 -0.000 0.000 0.218 403 D C 0.364 176.696 176.300 0.054 0.000 1.345 403 D CA -0.297 53.746 54.000 0.073 0.000 0.943 403 D CB 1.352 42.163 40.800 0.019 0.000 1.514 403 D HN 0.307 nan 8.370 nan 0.000 0.585 404 M N 1.422 121.038 119.600 0.027 0.000 2.267 404 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 404 M C 0.712 177.024 176.300 0.019 0.000 1.063 404 M CA 1.201 56.508 55.300 0.012 0.000 1.090 404 M CB -0.345 32.246 32.600 -0.015 0.000 1.392 404 M HN 0.398 nan 8.290 nan 0.000 0.422 405 D N -0.554 119.852 120.400 0.009 0.000 2.323 405 D HA -0.003 4.637 4.640 -0.000 0.000 0.209 405 D C 2.101 178.407 176.300 0.011 0.000 0.973 405 D CA 0.660 54.665 54.000 0.008 0.000 0.874 405 D CB 0.431 41.230 40.800 -0.002 0.000 0.930 405 D HN 0.208 nan 8.370 nan 0.000 0.521 406 V N 0.028 119.949 119.914 0.012 0.000 2.490 406 V HA 0.018 4.138 4.120 -0.000 0.000 0.238 406 V C 0.562 176.669 176.094 0.021 0.000 1.056 406 V CA 0.706 63.006 62.300 0.001 0.000 1.075 406 V CB 0.380 32.188 31.823 -0.025 0.000 0.746 406 V HN 0.009 nan 8.190 nan 0.000 0.479 407 D N -0.427 120.007 120.400 0.057 0.000 2.337 407 D HA 0.186 4.826 4.640 -0.000 0.000 0.238 407 D C -2.199 174.194 176.300 0.156 0.000 1.331 407 D CA -1.204 52.858 54.000 0.104 0.000 0.967 407 D CB 2.031 42.882 40.800 0.086 0.000 1.382 407 D HN 0.116 nan 8.370 nan 0.000 0.549 408 P HA -0.063 nan 4.420 nan 0.000 0.223 408 P C 1.436 178.772 177.300 0.060 0.000 1.151 408 P CA 0.361 63.516 63.100 0.092 0.000 0.787 408 P CB 0.131 31.863 31.700 0.053 0.000 0.788 409 F N 1.179 121.107 119.950 -0.036 0.000 2.259 409 F HA 0.055 4.582 4.527 -0.000 0.000 0.298 409 F C 2.711 178.487 175.800 -0.038 0.000 1.088 409 F CA 0.895 58.870 58.000 -0.041 0.000 1.358 409 F CB -1.541 37.443 39.000 -0.027 0.000 1.040 409 F HN -0.050 nan 8.300 nan 0.000 0.505 410 A N 0.336 123.270 122.820 0.190 0.000 1.972 410 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 410 A C 2.206 179.793 177.584 0.005 0.000 1.169 410 A CA 1.449 53.578 52.037 0.152 0.000 0.635 410 A CB -0.685 18.475 19.000 0.267 0.000 0.810 410 A HN 0.220 nan 8.150 nan 0.000 0.446 411 I N -0.173 120.330 120.570 -0.112 0.000 2.162 411 I HA -0.212 3.957 4.170 -0.000 0.000 0.238 411 I C 2.592 178.467 176.117 -0.403 0.000 1.076 411 I CA 1.324 62.349 61.300 -0.458 0.000 1.353 411 I CB -1.930 35.815 38.000 -0.425 0.000 1.063 411 I HN 0.456 nan 8.210 nan 0.000 0.408 412 Q N 0.358 120.000 119.800 -0.263 0.000 2.077 412 Q HA -0.237 4.102 4.340 -0.000 0.000 0.206 412 Q C 2.567 178.476 176.000 -0.152 0.000 0.989 412 Q CA 2.239 57.908 55.803 -0.224 0.000 0.853 412 Q CB -0.488 28.081 28.738 -0.282 0.000 0.907 412 Q HN 0.508 nan 8.270 nan 0.000 0.418 413 C N 0.347 119.584 119.300 -0.105 0.000 2.432 413 C HA -0.129 4.330 4.460 -0.000 0.000 0.277 413 C C 2.623 177.598 174.990 -0.025 0.000 1.249 413 C CA 0.434 59.425 59.018 -0.044 0.000 1.725 413 C CB -1.040 26.697 27.740 -0.005 0.000 2.028 413 C HN 0.493 nan 8.230 nan 0.000 0.477 414 L N 1.485 122.664 121.223 -0.073 0.000 2.017 414 L HA -0.100 4.239 4.340 -0.000 0.000 0.208 414 L C 2.106 179.009 176.870 0.056 0.000 1.073 414 L CA 2.261 57.088 54.840 -0.022 0.000 0.745 414 L CB -1.043 40.931 42.059 -0.143 0.000 0.894 414 L HN 0.247 nan 8.230 nan 0.000 0.432 415 D N -0.530 119.856 120.400 -0.024 0.000 2.084 415 D HA -0.212 4.428 4.640 -0.000 0.000 0.194 415 D C 2.048 178.362 176.300 0.023 0.000 0.990 415 D CA 1.618 55.672 54.000 0.089 0.000 0.826 415 D CB 0.028 40.832 40.800 0.007 0.000 0.971 415 D HN 0.529 nan 8.370 nan 0.000 0.453 416 E N -1.216 118.978 120.200 -0.010 0.000 2.077 416 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 416 E C 2.047 178.650 176.600 0.005 0.000 0.989 416 E CA 1.132 57.522 56.400 -0.017 0.000 0.800 416 E CB -0.237 29.449 29.700 -0.023 0.000 0.746 416 E HN 0.478 nan 8.360 nan 0.000 0.452 417 H N 1.059 120.100 119.070 -0.048 0.000 2.319 417 H HA -0.084 4.472 4.556 -0.000 0.000 0.299 417 H C 1.964 177.262 175.328 -0.051 0.000 1.092 417 H CA 1.593 57.613 56.048 -0.046 0.000 1.302 417 H CB -0.242 29.493 29.762 -0.045 0.000 1.373 417 H HN 0.043 nan 8.280 nan 0.000 0.497 418 L N -0.402 120.712 121.223 -0.182 0.000 2.093 418 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 418 L C 2.733 179.480 176.870 -0.206 0.000 1.085 418 L CA 1.334 56.029 54.840 -0.243 0.000 0.755 418 L CB -0.341 41.649 42.059 -0.115 0.000 0.904 418 L HN 0.216 nan 8.230 nan 0.000 0.435 419 R N 0.693 121.107 120.500 -0.143 0.000 2.066 419 R HA -0.099 4.241 4.340 -0.000 0.000 0.232 419 R C 2.332 178.551 176.300 -0.135 0.000 1.131 419 R CA 1.515 57.538 56.100 -0.129 0.000 0.955 419 R CB -0.317 29.921 30.300 -0.104 0.000 0.851 419 R HN 0.162 nan 8.270 nan 0.000 0.432 420 R N 0.203 120.622 120.500 -0.135 0.000 2.073 420 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 420 R C 2.328 178.541 176.300 -0.145 0.000 1.134 420 R CA 1.858 57.887 56.100 -0.118 0.000 0.952 420 R CB -0.360 29.887 30.300 -0.087 0.000 0.850 420 R HN 0.218 nan 8.270 nan 0.000 0.433 421 K N 0.479 120.740 120.400 -0.232 0.000 2.063 421 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 421 K C 2.007 178.511 176.600 -0.160 0.000 1.048 421 K CA 1.495 57.644 56.287 -0.231 0.000 0.928 421 K CB -0.077 32.192 32.500 -0.385 0.000 0.713 421 K HN 0.165 nan 8.250 nan 0.000 0.442 422 A N 0.983 123.708 122.820 -0.157 0.000 1.898 422 A HA -0.073 4.246 4.320 -0.000 0.000 0.216 422 A C 1.962 179.491 177.584 -0.090 0.000 1.181 422 A CA 1.068 53.034 52.037 -0.118 0.000 0.620 422 A CB -0.487 18.443 19.000 -0.117 0.000 0.819 422 A HN 0.322 nan 8.150 nan 0.000 0.442 423 L N -0.003 121.165 121.223 -0.092 0.000 2.549 423 L HA -0.052 4.288 4.340 -0.000 0.000 0.229 423 L C 0.990 177.827 176.870 -0.054 0.000 1.158 423 L CA 0.059 54.856 54.840 -0.071 0.000 0.842 423 L CB -0.533 41.477 42.059 -0.080 0.000 0.952 423 L HN 0.469 nan 8.230 nan 0.000 0.452 424 E N 0.000 120.163 120.200 -0.061 0.000 2.725 424 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 424 E CA 0.000 56.371 56.400 -0.048 0.000 0.976 424 E CB 0.000 29.667 29.700 -0.055 0.000 0.812 424 E HN 0.000 nan 8.360 nan 0.000 0.440