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 1lbh_1_C DATA FIRST_RESID 62 DATA SEQUENCE LLIGVATSSL ALHAPSQIVA AIKSRADQLG ASVVVSMVER SGVEACKTAV DATA SEQUENCE HNLLAQRVSG LIINYPLDDQ DAIAVEAACT NVPALFLDVS DQTPINSIIF DATA SEQUENCE SHEDGTRLGV EHLVALGHQQ IALLAGPLSS VSARLRLAGW HKYLTRNQIQ DATA SEQUENCE PIAEREGDWS AMSGFQQTMQ MLNEGIVPTA MLVANDQMAL GAMRAITESG DATA SEQUENCE LRVGADISVV GYDDTEDSSC YIPPLTTIKQ DFRLLGQTSV DRLLQLSQGQ DATA SEQUENCE AVKGNQLLPV SLVKRKTTLA PNTQTASPRA LADSLMQLAR QVSRLE 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 62 L HA 0.000 nan 4.340 nan 0.000 0.249 62 L C 0.000 176.865 176.870 -0.009 0.000 1.165 62 L CA 0.000 54.836 54.840 -0.007 0.000 0.813 62 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 63 L N 2.012 123.228 121.223 -0.012 0.000 3.657 63 L HA 0.522 4.862 4.340 0.000 0.000 0.264 63 L C -1.789 175.069 176.870 -0.019 0.000 0.988 63 L CA 0.027 54.858 54.840 -0.014 0.000 1.245 63 L CB 0.848 42.899 42.059 -0.013 0.000 1.965 63 L HN 0.483 nan 8.230 nan 0.000 0.626 64 I N 3.273 123.830 120.570 -0.022 0.000 2.612 64 I HA 0.731 4.901 4.170 0.000 0.000 0.295 64 I C 0.959 177.055 176.117 -0.034 0.000 1.011 64 I CA -0.146 61.136 61.300 -0.030 0.000 1.326 64 I CB 1.492 39.474 38.000 -0.029 0.000 1.427 64 I HN 0.753 nan 8.210 nan 0.000 0.537 65 G N 3.669 112.442 108.800 -0.046 0.000 2.482 65 G HA2 0.638 4.598 3.960 0.000 0.000 0.317 65 G HA3 0.638 4.598 3.960 0.000 0.000 0.317 65 G C -1.375 173.488 174.900 -0.063 0.000 1.241 65 G CA -0.370 44.701 45.100 -0.049 0.000 0.967 65 G HN 0.353 nan 8.290 nan 0.000 0.482 66 V N 1.110 120.989 119.914 -0.057 0.000 2.447 66 V HA 0.626 4.746 4.120 0.000 0.000 0.292 66 V C 0.343 176.401 176.094 -0.060 0.000 1.021 66 V CA -0.947 61.315 62.300 -0.063 0.000 0.850 66 V CB 1.248 33.042 31.823 -0.048 0.000 1.005 66 V HN 1.125 nan 8.190 nan 0.000 0.426 67 A N 3.329 126.106 122.820 -0.072 0.000 2.302 67 A HA 0.698 5.018 4.320 0.000 0.000 0.295 67 A C 0.239 177.807 177.584 -0.027 0.000 1.235 67 A CA 0.002 51.998 52.037 -0.067 0.000 0.876 67 A CB 0.755 19.703 19.000 -0.086 0.000 1.133 67 A HN 0.743 nan 8.150 nan 0.000 0.533 68 T N 1.716 116.259 114.554 -0.019 0.000 2.942 68 T HA 0.579 4.929 4.350 0.000 0.000 0.289 68 T C 0.856 175.618 174.700 0.103 0.000 1.044 68 T CA -0.258 61.863 62.100 0.034 0.000 1.023 68 T CB 0.894 69.761 68.868 -0.000 0.000 1.123 68 T HN 0.659 nan 8.240 nan 0.000 0.512 69 S N 1.124 116.935 115.700 0.185 0.000 2.562 69 S HA 0.310 4.780 4.470 0.000 0.000 0.256 69 S C 0.344 175.016 174.600 0.120 0.000 1.248 69 S CA -0.614 57.757 58.200 0.285 0.000 0.988 69 S CB 0.215 63.492 63.200 0.130 0.000 1.035 69 S HN 0.773 nan 8.310 nan 0.000 0.548 70 S N 0.823 116.586 115.700 0.105 0.000 2.533 70 S HA 0.098 4.568 4.470 0.000 0.000 0.282 70 S C 0.961 175.570 174.600 0.015 0.000 1.304 70 S CA -0.586 57.645 58.200 0.052 0.000 1.063 70 S CB -0.109 63.126 63.200 0.057 0.000 0.881 70 S HN 0.513 nan 8.310 nan 0.000 0.493 71 L N 4.782 126.010 121.223 0.009 0.000 2.456 71 L HA 0.100 4.440 4.340 0.000 0.000 0.224 71 L C 2.134 179.011 176.870 0.012 0.000 1.148 71 L CA 1.444 56.284 54.840 -0.000 0.000 0.825 71 L CB -1.638 40.421 42.059 0.000 0.000 0.937 71 L HN 0.851 nan 8.230 nan 0.000 0.450 72 A N -1.514 121.315 122.820 0.015 0.000 2.276 72 A HA 0.077 4.397 4.320 0.000 0.000 0.212 72 A C 1.585 179.162 177.584 -0.012 0.000 1.230 72 A CA 0.165 52.216 52.037 0.023 0.000 0.844 72 A CB -0.380 18.631 19.000 0.019 0.000 0.860 72 A HN 0.362 nan 8.150 nan 0.000 0.486 73 L N -0.868 120.337 121.223 -0.031 0.000 3.017 73 L HA 0.232 4.572 4.340 0.000 0.000 0.255 73 L C 0.689 177.514 176.870 -0.076 0.000 1.247 73 L CA -0.409 54.361 54.840 -0.118 0.000 1.038 73 L CB -0.321 41.657 42.059 -0.135 0.000 1.380 73 L HN 0.540 nan 8.230 nan 0.000 0.548 74 H N -0.764 118.262 119.070 -0.074 0.000 1.551 74 H HA -0.372 4.184 4.556 -0.000 0.000 0.090 74 H C 1.975 177.182 175.328 -0.202 0.000 0.602 74 H CA 1.524 57.520 56.048 -0.088 0.000 1.891 74 H CB -1.595 28.151 29.762 -0.026 0.000 2.242 74 H HN 0.305 nan 8.280 nan 0.000 0.959 75 A N 1.889 124.637 122.820 -0.121 0.000 1.896 75 A HA -0.195 4.125 4.320 0.000 0.000 0.220 75 A C -0.104 177.096 177.584 -0.641 0.000 1.206 75 A CA 3.352 55.045 52.037 -0.573 0.000 0.647 75 A CB -1.680 17.043 19.000 -0.461 0.000 0.828 75 A HN 0.632 nan 8.150 nan 0.000 0.455 76 P HA -0.106 nan 4.420 nan 0.000 0.217 76 P C 1.511 178.699 177.300 -0.188 0.000 1.150 76 P CA 1.857 64.806 63.100 -0.252 0.000 0.832 76 P CB -0.260 31.347 31.700 -0.155 0.000 0.787 77 S N 0.340 115.955 115.700 -0.142 0.000 2.355 77 S HA -0.180 4.290 4.470 0.000 0.000 0.222 77 S C 2.265 176.799 174.600 -0.110 0.000 1.031 77 S CA 1.133 59.281 58.200 -0.087 0.000 0.993 77 S CB -0.949 62.230 63.200 -0.035 0.000 0.859 77 S HN 0.242 nan 8.310 nan 0.000 0.453 78 Q N 0.423 120.122 119.800 -0.168 0.000 2.124 78 Q HA 0.002 4.342 4.340 0.000 0.000 0.202 78 Q C 2.065 177.987 176.000 -0.130 0.000 0.977 78 Q CA 1.072 56.793 55.803 -0.138 0.000 0.850 78 Q CB -0.240 28.409 28.738 -0.148 0.000 0.901 78 Q HN 0.539 nan 8.270 nan 0.000 0.429 79 I N -0.513 119.901 120.570 -0.260 0.000 2.252 79 I HA -0.260 3.910 4.170 0.000 0.000 0.245 79 I C 2.067 178.159 176.117 -0.042 0.000 1.102 79 I CA 0.757 61.988 61.300 -0.114 0.000 1.385 79 I CB -0.233 37.682 38.000 -0.141 0.000 1.064 79 I HN 0.071 nan 8.210 nan 0.000 0.414 80 V N 1.224 121.098 119.914 -0.065 0.000 2.287 80 V HA -0.313 3.807 4.120 0.000 0.000 0.248 80 V C 2.763 178.844 176.094 -0.021 0.000 1.053 80 V CA 2.039 64.316 62.300 -0.037 0.000 1.027 80 V CB -1.197 30.602 31.823 -0.041 0.000 0.646 80 V HN 0.501 nan 8.190 nan 0.000 0.447 81 A N -0.005 122.800 122.820 -0.024 0.000 1.940 81 A HA -0.119 4.201 4.320 0.000 0.000 0.219 81 A C 2.423 180.011 177.584 0.006 0.000 1.176 81 A CA 2.206 54.236 52.037 -0.010 0.000 0.631 81 A CB -0.762 18.230 19.000 -0.013 0.000 0.814 81 A HN 0.583 nan 8.150 nan 0.000 0.446 82 A N 0.181 123.013 122.820 0.021 0.000 1.845 82 A HA -0.096 4.224 4.320 0.000 0.000 0.215 82 A C 2.097 179.700 177.584 0.031 0.000 1.195 82 A CA 1.520 53.584 52.037 0.045 0.000 0.616 82 A CB -0.733 18.322 19.000 0.092 0.000 0.832 82 A HN 0.474 nan 8.150 nan 0.000 0.443 83 I N -0.360 120.224 120.570 0.024 0.000 2.248 83 I HA -0.313 3.857 4.170 0.000 0.000 0.248 83 I C 2.535 178.655 176.117 0.004 0.000 1.107 83 I CA 1.940 63.247 61.300 0.012 0.000 1.373 83 I CB -0.267 37.734 38.000 0.001 0.000 1.055 83 I HN 0.322 nan 8.210 nan 0.000 0.418 84 K N 1.321 121.722 120.400 0.001 0.000 2.032 84 K HA -0.149 4.171 4.320 0.000 0.000 0.209 84 K C 2.118 178.719 176.600 0.002 0.000 1.048 84 K CA 2.086 58.372 56.287 -0.002 0.000 0.927 84 K CB -0.455 32.042 32.500 -0.004 0.000 0.712 84 K HN 0.150 nan 8.250 nan 0.000 0.441 85 S N 0.348 116.052 115.700 0.007 0.000 2.348 85 S HA -0.141 4.329 4.470 0.000 0.000 0.221 85 S C 1.942 176.547 174.600 0.008 0.000 1.033 85 S CA 1.482 59.686 58.200 0.008 0.000 1.010 85 S CB -0.465 62.743 63.200 0.013 0.000 0.891 85 S HN 0.291 nan 8.310 nan 0.000 0.442 86 R N 2.015 122.522 120.500 0.011 0.000 2.127 86 R HA 0.025 4.365 4.340 0.000 0.000 0.238 86 R C 2.094 178.396 176.300 0.004 0.000 1.134 86 R CA 1.584 57.689 56.100 0.009 0.000 0.975 86 R CB -1.073 29.235 30.300 0.013 0.000 0.865 86 R HN 0.356 nan 8.270 nan 0.000 0.447 87 A N 0.682 123.503 122.820 0.001 0.000 1.845 87 A HA -0.185 4.135 4.320 0.000 0.000 0.215 87 A C 1.785 179.368 177.584 -0.002 0.000 1.195 87 A CA 1.947 53.983 52.037 -0.003 0.000 0.616 87 A CB -0.873 18.123 19.000 -0.005 0.000 0.832 87 A HN 0.399 nan 8.150 nan 0.000 0.443 88 D N -0.749 119.650 120.400 -0.001 0.000 2.133 88 D HA -0.229 4.411 4.640 0.000 0.000 0.192 88 D C 2.018 178.318 176.300 0.000 0.000 1.001 88 D CA 1.878 55.877 54.000 -0.001 0.000 0.844 88 D CB -0.568 40.232 40.800 0.000 0.000 0.944 88 D HN 0.607 nan 8.370 nan 0.000 0.447 89 Q N -0.432 119.369 119.800 0.002 0.000 2.112 89 Q HA -0.083 4.257 4.340 0.000 0.000 0.206 89 Q C 1.697 177.698 176.000 0.001 0.000 0.987 89 Q CA 1.090 56.894 55.803 0.002 0.000 0.858 89 Q CB 0.027 28.767 28.738 0.004 0.000 0.905 89 Q HN 0.335 nan 8.270 nan 0.000 0.420 90 L N -1.824 119.399 121.223 0.000 0.000 2.667 90 L HA 0.342 4.682 4.340 0.000 0.000 0.232 90 L C 0.816 177.685 176.870 -0.002 0.000 1.138 90 L CA 0.249 55.089 54.840 -0.001 0.000 0.921 90 L CB -0.056 42.003 42.059 -0.001 0.000 1.180 90 L HN 0.382 nan 8.230 nan 0.000 0.487 91 G N 1.591 110.390 108.800 -0.002 0.000 2.272 91 G HA2 -0.207 3.753 3.960 0.000 0.000 0.280 91 G HA3 -0.207 3.753 3.960 0.000 0.000 0.280 91 G C 0.211 175.109 174.900 -0.004 0.000 1.067 91 G CA 0.258 45.356 45.100 -0.003 0.000 0.902 91 G HN 0.546 nan 8.290 nan 0.000 0.500 92 A N -0.156 122.662 122.820 -0.005 0.000 2.305 92 A HA 0.839 5.159 4.320 0.000 0.000 0.322 92 A C 0.593 178.172 177.584 -0.008 0.000 1.187 92 A CA 0.219 52.252 52.037 -0.007 0.000 0.825 92 A CB 1.160 20.155 19.000 -0.008 0.000 1.164 92 A HN 0.937 nan 8.150 nan 0.000 0.498 93 S N 0.665 116.359 115.700 -0.009 0.000 2.513 93 S HA 0.434 4.904 4.470 0.000 0.000 0.276 93 S C 0.039 174.631 174.600 -0.013 0.000 1.254 93 S CA -0.355 57.839 58.200 -0.010 0.000 1.053 93 S CB 1.117 64.311 63.200 -0.009 0.000 0.958 93 S HN 0.718 nan 8.310 nan 0.000 0.491 94 V N 4.218 124.124 119.914 -0.013 0.000 3.096 94 V HA 0.816 4.936 4.120 0.000 0.000 0.319 94 V C -0.665 175.419 176.094 -0.017 0.000 1.082 94 V CA -0.298 61.991 62.300 -0.017 0.000 1.022 94 V CB 2.046 33.859 31.823 -0.016 0.000 1.103 94 V HN 0.595 nan 8.190 nan 0.000 0.455 95 V N 3.693 123.594 119.914 -0.022 0.000 2.809 95 V HA 0.411 4.531 4.120 0.000 0.000 0.290 95 V C -1.087 174.990 176.094 -0.027 0.000 1.305 95 V CA -0.349 61.938 62.300 -0.022 0.000 0.939 95 V CB 2.282 34.093 31.823 -0.020 0.000 1.081 95 V HN 0.702 nan 8.190 nan 0.000 0.439 96 V N 4.242 124.141 119.914 -0.025 0.000 2.483 96 V HA 0.700 4.820 4.120 0.000 0.000 0.295 96 V C 0.243 176.318 176.094 -0.031 0.000 1.035 96 V CA -0.448 61.834 62.300 -0.029 0.000 0.896 96 V CB 1.864 33.671 31.823 -0.026 0.000 0.986 96 V HN 0.804 nan 8.190 nan 0.000 0.447 97 S N 4.674 120.351 115.700 -0.039 0.000 2.498 97 S HA 0.570 5.040 4.470 0.000 0.000 0.317 97 S C -0.280 174.289 174.600 -0.052 0.000 1.090 97 S CA -0.678 57.495 58.200 -0.044 0.000 1.089 97 S CB 0.762 63.930 63.200 -0.052 0.000 0.997 97 S HN 0.618 nan 8.310 nan 0.000 0.470 98 M N 4.514 124.087 119.600 -0.046 0.000 2.194 98 M HA 0.239 4.719 4.480 0.000 0.000 0.347 98 M C -0.552 175.698 176.300 -0.082 0.000 1.439 98 M CA -0.066 55.207 55.300 -0.046 0.000 1.131 98 M CB 0.320 32.903 32.600 -0.028 0.000 1.733 98 M HN 0.244 nan 8.290 nan 0.000 0.467 99 V N 4.289 124.129 119.914 -0.124 0.000 2.439 99 V HA 0.182 4.302 4.120 0.000 0.000 0.282 99 V C 0.215 176.191 176.094 -0.196 0.000 1.039 99 V CA -0.760 61.379 62.300 -0.268 0.000 0.913 99 V CB 1.429 32.882 31.823 -0.617 0.000 0.983 99 V HN 0.682 nan 8.190 nan 0.000 0.460 100 E N 3.236 123.334 120.200 -0.169 0.000 2.313 100 E HA 0.292 4.642 4.350 0.000 0.000 0.276 100 E C 0.861 177.470 176.600 0.014 0.000 1.031 100 E CA -0.244 56.127 56.400 -0.048 0.000 0.857 100 E CB 0.563 30.243 29.700 -0.033 0.000 1.040 100 E HN 0.362 nan 8.360 nan 0.000 0.408 101 R N 1.654 122.243 120.500 0.149 0.000 2.417 101 R HA -0.149 4.191 4.340 0.000 0.000 0.220 101 R C 1.405 177.829 176.300 0.206 0.000 1.128 101 R CA 0.578 56.840 56.100 0.270 0.000 1.048 101 R CB -0.189 30.225 30.300 0.190 0.000 0.835 101 R HN 0.452 nan 8.270 nan 0.000 0.483 102 S N -0.207 115.561 115.700 0.112 0.000 2.378 102 S HA -0.139 4.331 4.470 0.000 0.000 0.229 102 S C 1.202 175.868 174.600 0.110 0.000 1.052 102 S CA 1.298 59.544 58.200 0.077 0.000 1.084 102 S CB -0.127 63.091 63.200 0.030 0.000 0.950 102 S HN 0.745 nan 8.310 nan 0.000 0.440 103 G N -1.175 107.715 108.800 0.151 0.000 2.340 103 G HA2 0.063 4.023 3.960 0.000 0.000 0.282 103 G HA3 0.063 4.023 3.960 0.000 0.000 0.282 103 G C 0.111 175.114 174.900 0.172 0.000 1.312 103 G CA -0.257 44.964 45.100 0.203 0.000 0.942 103 G HN 0.182 nan 8.290 nan 0.000 0.495 104 V N 0.108 120.122 119.914 0.166 0.000 2.982 104 V HA -0.011 4.109 4.120 0.000 0.000 0.265 104 V C 2.380 178.520 176.094 0.076 0.000 1.122 104 V CA 3.071 65.450 62.300 0.131 0.000 1.143 104 V CB -0.089 31.799 31.823 0.109 0.000 0.726 104 V HN 0.716 nan 8.190 nan 0.000 0.507 105 E N -0.638 119.596 120.200 0.057 0.000 2.385 105 E HA 0.116 4.466 4.350 0.000 0.000 0.194 105 E C 1.992 178.606 176.600 0.024 0.000 1.013 105 E CA 0.933 57.361 56.400 0.046 0.000 0.866 105 E CB -0.032 29.691 29.700 0.038 0.000 0.832 105 E HN 0.652 nan 8.360 nan 0.000 0.500 106 A N -0.180 122.632 122.820 -0.013 0.000 1.850 106 A HA -0.043 4.277 4.320 0.000 0.000 0.212 106 A C 1.257 178.774 177.584 -0.112 0.000 1.208 106 A CA 0.640 52.634 52.037 -0.073 0.000 0.609 106 A CB -0.580 18.341 19.000 -0.132 0.000 0.860 106 A HN 0.368 nan 8.150 nan 0.000 0.448 107 C N 0.716 119.914 119.300 -0.169 0.000 2.551 107 C HA 0.536 4.996 4.460 0.000 0.000 0.369 107 C C 1.075 176.050 174.990 -0.024 0.000 1.154 107 C CA 1.089 60.019 59.018 -0.147 0.000 1.456 107 C CB -1.395 26.308 27.740 -0.062 0.000 2.037 107 C HN 0.734 nan 8.230 nan 0.000 0.547 108 K N 1.338 121.711 120.400 -0.045 0.000 1.723 108 K HA -0.056 4.264 4.320 0.000 0.000 0.129 108 K C 1.450 178.050 176.600 -0.001 0.000 2.520 108 K CA 1.000 57.265 56.287 -0.037 0.000 1.153 108 K CB -0.961 31.586 32.500 0.079 0.000 2.797 108 K HN 0.380 nan 8.250 nan 0.000 0.359 109 T N 1.034 115.644 114.554 0.094 0.000 2.674 109 T HA -0.052 4.298 4.350 0.000 0.000 0.265 109 T C 1.738 176.466 174.700 0.047 0.000 1.039 109 T CA 1.963 64.150 62.100 0.145 0.000 1.150 109 T CB -0.616 68.285 68.868 0.056 0.000 0.864 109 T HN 0.436 nan 8.240 nan 0.000 0.427 110 A N 1.200 123.998 122.820 -0.037 0.000 1.917 110 A HA -0.103 4.217 4.320 0.000 0.000 0.219 110 A C 2.606 180.141 177.584 -0.082 0.000 1.182 110 A CA 1.697 53.695 52.037 -0.064 0.000 0.633 110 A CB -1.185 17.754 19.000 -0.103 0.000 0.819 110 A HN 0.366 nan 8.150 nan 0.000 0.448 111 V N -0.501 119.328 119.914 -0.142 0.000 2.332 111 V HA -0.321 3.799 4.120 0.000 0.000 0.248 111 V C 2.264 178.227 176.094 -0.218 0.000 1.055 111 V CA 2.480 64.656 62.300 -0.207 0.000 1.038 111 V CB -1.230 30.414 31.823 -0.298 0.000 0.651 111 V HN 0.761 nan 8.190 nan 0.000 0.450 112 H N -0.337 118.725 119.070 -0.014 0.000 2.462 112 H HA -0.005 4.551 4.556 0.000 0.000 0.292 112 H C 2.284 177.603 175.328 -0.015 0.000 1.049 112 H CA 1.292 57.334 56.048 -0.010 0.000 1.334 112 H CB 0.010 29.767 29.762 -0.008 0.000 1.404 112 H HN 0.464 nan 8.280 nan 0.000 0.544 113 N N 0.156 118.897 118.700 0.069 0.000 2.290 113 N HA -0.035 4.705 4.740 0.000 0.000 0.179 113 N C 1.389 176.904 175.510 0.008 0.000 1.016 113 N CA 0.514 53.585 53.050 0.035 0.000 0.871 113 N CB 0.263 38.761 38.487 0.017 0.000 0.987 113 N HN 0.290 nan 8.380 nan 0.000 0.431 114 L N 0.896 122.110 121.223 -0.015 0.000 2.291 114 L HA -0.010 4.330 4.340 0.000 0.000 0.214 114 L C 2.096 178.956 176.870 -0.016 0.000 1.120 114 L CA 0.407 55.232 54.840 -0.025 0.000 0.799 114 L CB -0.141 41.890 42.059 -0.046 0.000 0.925 114 L HN 0.120 nan 8.230 nan 0.000 0.446 115 L N -0.497 120.723 121.223 -0.006 0.000 2.240 115 L HA -0.061 4.279 4.340 0.000 0.000 0.211 115 L C 2.746 179.627 176.870 0.019 0.000 1.106 115 L CA 0.699 55.544 54.840 0.008 0.000 0.793 115 L CB -0.358 41.719 42.059 0.029 0.000 0.927 115 L HN 0.213 nan 8.230 nan 0.000 0.446 116 A N -0.691 122.143 122.820 0.024 0.000 1.969 116 A HA -0.183 4.137 4.320 0.000 0.000 0.218 116 A C 2.126 179.715 177.584 0.008 0.000 1.169 116 A CA 1.054 53.103 52.037 0.019 0.000 0.635 116 A CB -0.192 18.820 19.000 0.020 0.000 0.810 116 A HN 0.388 nan 8.150 nan 0.000 0.445 117 Q N -1.012 118.789 119.800 0.002 0.000 2.297 117 Q HA -0.006 4.334 4.340 0.000 0.000 0.204 117 Q C -0.017 175.981 176.000 -0.003 0.000 0.962 117 Q CA 0.831 56.633 55.803 -0.003 0.000 0.879 117 Q CB -0.120 28.614 28.738 -0.008 0.000 0.947 117 Q HN 0.738 nan 8.270 nan 0.000 0.462 118 R N -0.345 120.154 120.500 -0.002 0.000 3.208 118 R HA -0.073 4.267 4.340 0.000 0.000 0.276 118 R C -0.261 176.035 176.300 -0.007 0.000 1.108 118 R CA 0.335 56.433 56.100 -0.003 0.000 0.738 118 R CB -2.618 27.681 30.300 -0.001 0.000 1.350 118 R HN 0.173 nan 8.270 nan 0.000 0.406 119 V N -1.998 117.908 119.914 -0.012 0.000 2.999 119 V HA 0.126 4.246 4.120 0.000 0.000 0.307 119 V C 1.471 177.555 176.094 -0.017 0.000 1.084 119 V CA 0.449 62.738 62.300 -0.018 0.000 1.155 119 V CB 1.828 33.635 31.823 -0.028 0.000 0.975 119 V HN 0.284 nan 8.190 nan 0.000 0.490 120 S N 2.104 117.794 115.700 -0.018 0.000 2.439 120 S HA 0.376 4.846 4.470 0.000 0.000 0.224 120 S C 0.789 175.377 174.600 -0.020 0.000 1.029 120 S CA 0.719 58.910 58.200 -0.015 0.000 0.946 120 S CB 0.216 63.409 63.200 -0.013 0.000 0.797 120 S HN 1.409 nan 8.310 nan 0.000 0.504 121 G N 0.252 109.034 108.800 -0.029 0.000 2.718 121 G HA2 0.619 4.579 3.960 0.000 0.000 0.295 121 G HA3 0.619 4.579 3.960 0.000 0.000 0.295 121 G C -1.849 173.017 174.900 -0.057 0.000 1.421 121 G CA -0.633 44.443 45.100 -0.039 0.000 0.902 121 G HN 0.155 nan 8.290 nan 0.000 0.501 122 L N 1.148 122.322 121.223 -0.082 0.000 2.365 122 L HA 0.598 4.938 4.340 0.000 0.000 0.273 122 L C -0.581 176.190 176.870 -0.164 0.000 1.000 122 L CA -0.889 53.880 54.840 -0.118 0.000 0.819 122 L CB 2.082 44.057 42.059 -0.139 0.000 1.284 122 L HN 0.345 nan 8.230 nan 0.000 0.418 123 I N 4.295 124.772 120.570 -0.155 0.000 2.433 123 I HA 0.398 4.568 4.170 0.000 0.000 0.292 123 I C -0.429 175.564 176.117 -0.207 0.000 1.001 123 I CA -0.449 60.745 61.300 -0.177 0.000 1.119 123 I CB 2.306 40.244 38.000 -0.104 0.000 1.289 123 I HN 0.423 nan 8.210 nan 0.000 0.438 124 I N 5.817 126.200 120.570 -0.313 0.000 2.428 124 I HA 0.204 4.374 4.170 0.000 0.000 0.279 124 I C -0.311 175.750 176.117 -0.093 0.000 1.040 124 I CA -0.386 60.762 61.300 -0.255 0.000 1.171 124 I CB 0.947 38.660 38.000 -0.479 0.000 1.312 124 I HN 0.484 nan 8.210 nan 0.000 0.470 125 N N 6.675 125.369 118.700 -0.010 0.000 2.678 125 N HA 0.208 4.948 4.740 0.000 0.000 0.231 125 N C -1.694 173.895 175.510 0.132 0.000 1.038 125 N CA -0.070 53.004 53.050 0.039 0.000 0.932 125 N CB 0.336 38.827 38.487 0.008 0.000 1.176 125 N HN 0.408 nan 8.380 nan 0.000 0.511 126 Y N 3.300 123.612 120.300 0.019 0.000 2.519 126 Y HA 0.430 4.980 4.550 -0.000 0.000 0.336 126 Y C -2.583 173.358 175.900 0.067 0.000 1.089 126 Y CA -1.968 56.151 58.100 0.032 0.000 1.025 126 Y CB 2.285 40.764 38.460 0.033 0.000 1.318 126 Y HN 0.341 nan 8.280 nan 0.000 0.452 127 P HA 0.103 nan 4.420 nan 0.000 0.244 127 P C -0.860 176.288 177.300 -0.254 0.000 1.769 127 P CA 0.170 63.058 63.100 -0.352 0.000 1.102 127 P CB -0.131 31.381 31.700 -0.313 0.000 1.937 128 L N 2.247 123.436 121.223 -0.058 0.000 2.399 128 L HA 0.380 4.720 4.340 0.000 0.000 0.266 128 L C 0.874 177.730 176.870 -0.024 0.000 1.114 128 L CA -0.109 54.745 54.840 0.023 0.000 0.804 128 L CB -0.085 42.039 42.059 0.109 0.000 1.146 128 L HN 0.163 nan 8.230 nan 0.000 0.451 129 D N -0.292 120.095 120.400 -0.022 0.000 2.277 129 D HA 0.190 4.830 4.640 0.000 0.000 0.250 129 D C 0.581 176.847 176.300 -0.058 0.000 1.032 129 D CA -0.386 53.590 54.000 -0.041 0.000 0.947 129 D CB 1.045 41.828 40.800 -0.028 0.000 1.159 129 D HN 0.522 nan 8.370 nan 0.000 0.460 130 D N -0.118 120.243 120.400 -0.066 0.000 2.549 130 D HA -0.255 4.385 4.640 0.000 0.000 0.199 130 D C 1.682 177.933 176.300 -0.082 0.000 1.034 130 D CA 1.563 55.516 54.000 -0.079 0.000 0.880 130 D CB 0.134 40.898 40.800 -0.060 0.000 1.044 130 D HN 0.325 nan 8.370 nan 0.000 0.469 131 Q N -0.052 119.716 119.800 -0.054 0.000 2.291 131 Q HA -0.115 4.225 4.340 0.000 0.000 0.205 131 Q C 1.287 177.264 176.000 -0.037 0.000 0.970 131 Q CA 0.865 56.642 55.803 -0.043 0.000 0.876 131 Q CB -0.041 28.681 28.738 -0.026 0.000 0.935 131 Q HN 0.439 nan 8.270 nan 0.000 0.455 132 D N -0.229 120.152 120.400 -0.031 0.000 2.234 132 D HA -0.035 4.605 4.640 0.000 0.000 0.205 132 D C 1.542 177.827 176.300 -0.025 0.000 0.962 132 D CA 0.967 54.965 54.000 -0.003 0.000 0.855 132 D CB 0.173 40.987 40.800 0.023 0.000 0.951 132 D HN 0.206 nan 8.370 nan 0.000 0.500 133 A N 0.857 123.611 122.820 -0.110 0.000 1.935 133 A HA -0.046 4.274 4.320 0.000 0.000 0.214 133 A C 2.096 179.504 177.584 -0.294 0.000 1.178 133 A CA 0.435 52.301 52.037 -0.286 0.000 0.640 133 A CB -0.251 18.495 19.000 -0.424 0.000 0.825 133 A HN 0.080 nan 8.150 nan 0.000 0.447 134 I N 0.299 120.760 120.570 -0.182 0.000 2.286 134 I HA -0.212 3.958 4.170 0.000 0.000 0.248 134 I C 2.795 178.877 176.117 -0.058 0.000 1.115 134 I CA 1.527 62.753 61.300 -0.123 0.000 1.392 134 I CB -1.598 36.354 38.000 -0.081 0.000 1.065 134 I HN 0.344 nan 8.210 nan 0.000 0.418 135 A N 0.578 123.379 122.820 -0.032 0.000 1.968 135 A HA -0.058 4.262 4.320 0.000 0.000 0.217 135 A C 2.486 180.093 177.584 0.039 0.000 1.169 135 A CA 1.178 53.221 52.037 0.011 0.000 0.638 135 A CB -0.655 18.357 19.000 0.020 0.000 0.812 135 A HN 0.259 nan 8.150 nan 0.000 0.446 136 V N -0.411 119.533 119.914 0.051 0.000 2.719 136 V HA -0.141 3.979 4.120 0.000 0.000 0.252 136 V C 2.305 178.486 176.094 0.144 0.000 1.065 136 V CA 1.840 64.207 62.300 0.111 0.000 1.086 136 V CB -0.393 31.558 31.823 0.214 0.000 0.700 136 V HN 0.709 nan 8.190 nan 0.000 0.467 137 E N 0.361 120.639 120.200 0.131 0.000 2.208 137 E HA -0.127 4.223 4.350 0.000 0.000 0.193 137 E C 2.258 178.908 176.600 0.083 0.000 0.988 137 E CA 0.961 57.453 56.400 0.154 0.000 0.828 137 E CB -0.106 29.658 29.700 0.107 0.000 0.763 137 E HN 0.577 nan 8.360 nan 0.000 0.478 138 A N 1.012 123.866 122.820 0.056 0.000 1.933 138 A HA -0.111 4.209 4.320 0.000 0.000 0.218 138 A C 2.290 179.914 177.584 0.067 0.000 1.175 138 A CA 1.611 53.678 52.037 0.051 0.000 0.628 138 A CB -0.522 18.504 19.000 0.042 0.000 0.814 138 A HN 0.355 nan 8.150 nan 0.000 0.444 139 A N -1.670 121.194 122.820 0.074 0.000 2.119 139 A HA 0.059 4.379 4.320 0.000 0.000 0.216 139 A C 1.148 178.742 177.584 0.017 0.000 1.152 139 A CA 0.815 52.904 52.037 0.086 0.000 0.708 139 A CB -0.783 18.230 19.000 0.021 0.000 0.805 139 A HN 0.490 nan 8.150 nan 0.000 0.460 140 C N 2.839 122.152 119.300 0.021 0.000 2.400 140 C HA 0.341 4.801 4.460 0.000 0.000 0.457 140 C C 0.839 175.848 174.990 0.031 0.000 1.020 140 C CA -0.517 58.507 59.018 0.011 0.000 1.258 140 C CB -2.155 25.607 27.740 0.037 0.000 1.532 140 C HN 0.555 nan 8.230 nan 0.000 0.537 141 T N 1.248 115.824 114.554 0.036 0.000 2.853 141 T HA 0.148 4.498 4.350 0.000 0.000 0.298 141 T C 1.054 175.770 174.700 0.026 0.000 0.978 141 T CA 0.132 62.255 62.100 0.038 0.000 1.152 141 T CB 0.677 69.575 68.868 0.049 0.000 0.914 141 T HN 0.750 nan 8.240 nan 0.000 0.539 142 N N 1.580 120.294 118.700 0.023 0.000 3.721 142 N HA -0.302 4.438 4.740 0.000 0.000 0.208 142 N C 0.350 175.867 175.510 0.012 0.000 0.203 142 N CA 2.642 55.702 53.050 0.017 0.000 2.712 142 N CB -1.945 36.551 38.487 0.014 0.000 1.282 142 N HN 1.390 nan 8.380 nan 0.000 0.366 143 V N -1.010 118.908 119.914 0.006 0.000 2.790 143 V HA 0.237 4.357 4.120 0.000 0.000 0.304 143 V C -2.044 174.049 176.094 -0.002 0.000 1.142 143 V CA -0.414 61.884 62.300 -0.003 0.000 1.282 143 V CB -0.354 31.460 31.823 -0.014 0.000 0.877 143 V HN 0.456 nan 8.190 nan 0.000 0.504 144 P HA 0.556 nan 4.420 nan 0.000 0.286 144 P C -0.358 176.927 177.300 -0.026 0.000 1.269 144 P CA 0.166 63.267 63.100 0.001 0.000 0.787 144 P CB 1.242 32.942 31.700 0.001 0.000 0.920 145 A N 3.497 126.307 122.820 -0.016 0.000 2.295 145 A HA 0.711 5.031 4.320 0.000 0.000 0.318 145 A C -1.134 176.377 177.584 -0.121 0.000 1.134 145 A CA -0.421 51.543 52.037 -0.123 0.000 0.827 145 A CB 0.374 19.292 19.000 -0.136 0.000 1.136 145 A HN 0.510 nan 8.150 nan 0.000 0.493 146 L N 1.099 122.152 121.223 -0.285 0.000 2.409 146 L HA 0.679 5.019 4.340 0.000 0.000 0.272 146 L C -1.651 174.999 176.870 -0.368 0.000 0.980 146 L CA -0.312 54.430 54.840 -0.164 0.000 0.826 146 L CB 1.268 43.268 42.059 -0.098 0.000 1.268 146 L HN 0.572 nan 8.230 nan 0.000 0.407 147 F N 5.271 125.216 119.950 -0.008 0.000 2.415 147 F HA 0.364 4.891 4.527 -0.000 0.000 0.348 147 F C 0.761 176.555 175.800 -0.010 0.000 1.119 147 F CA -0.553 57.445 58.000 -0.004 0.000 1.069 147 F CB 1.344 40.342 39.000 -0.004 0.000 1.124 147 F HN 0.289 nan 8.300 nan 0.000 0.472 148 L N 1.133 122.412 121.223 0.093 0.000 2.286 148 L HA 0.093 4.433 4.340 0.000 0.000 0.203 148 L C 0.480 177.397 176.870 0.078 0.000 1.068 148 L CA 1.199 56.076 54.840 0.062 0.000 0.811 148 L CB -0.302 41.778 42.059 0.034 0.000 0.989 148 L HN 0.501 nan 8.230 nan 0.000 0.467 149 D N 0.976 121.430 120.400 0.090 0.000 2.485 149 D HA 0.428 5.068 4.640 0.000 0.000 0.229 149 D C -0.349 175.980 176.300 0.049 0.000 1.101 149 D CA 0.201 54.229 54.000 0.047 0.000 0.906 149 D CB 0.492 41.286 40.800 -0.010 0.000 1.019 149 D HN -0.021 nan 8.370 nan 0.000 0.516 150 V N -0.060 119.869 119.914 0.026 0.000 3.098 150 V HA 0.693 4.813 4.120 0.000 0.000 0.310 150 V C -0.471 175.593 176.094 -0.050 0.000 1.515 150 V CA -0.958 61.334 62.300 -0.013 0.000 1.020 150 V CB 1.185 33.004 31.823 -0.007 0.000 1.053 150 V HN 0.315 nan 8.190 nan 0.000 0.476 151 S N -0.410 115.248 115.700 -0.070 0.000 2.537 151 S HA 0.440 4.910 4.470 0.000 0.000 0.301 151 S C 0.531 175.107 174.600 -0.040 0.000 1.092 151 S CA 0.234 58.377 58.200 -0.095 0.000 1.048 151 S CB 1.489 64.623 63.200 -0.110 0.000 1.053 151 S HN 1.148 nan 8.310 nan 0.000 0.501 152 D N 2.691 123.092 120.400 0.001 0.000 2.271 152 D HA -0.217 4.423 4.640 0.000 0.000 0.207 152 D C 1.303 177.616 176.300 0.021 0.000 0.983 152 D CA 1.287 55.312 54.000 0.042 0.000 0.878 152 D CB -0.519 40.348 40.800 0.111 0.000 0.920 152 D HN 0.725 nan 8.370 nan 0.000 0.479 153 Q N -0.230 119.575 119.800 0.007 0.000 2.436 153 Q HA 0.073 4.413 4.340 0.000 0.000 0.209 153 Q C 0.166 176.151 176.000 -0.025 0.000 0.965 153 Q CA 0.720 56.521 55.803 -0.002 0.000 0.910 153 Q CB 0.087 28.824 28.738 -0.003 0.000 0.980 153 Q HN 0.159 nan 8.270 nan 0.000 0.491 154 T N 3.396 117.924 114.554 -0.043 0.000 2.749 154 T HA 0.147 4.497 4.350 0.000 0.000 0.295 154 T C -2.239 172.422 174.700 -0.066 0.000 0.936 154 T CA -1.371 60.687 62.100 -0.070 0.000 1.060 154 T CB 1.036 69.835 68.868 -0.116 0.000 0.904 154 T HN 0.051 nan 8.240 nan 0.000 0.500 155 P HA 0.125 nan 4.420 nan 0.000 0.246 155 P C -0.424 176.842 177.300 -0.056 0.000 1.675 155 P CA 0.154 63.227 63.100 -0.044 0.000 0.908 155 P CB -0.840 30.838 31.700 -0.036 0.000 1.890 156 I N -2.950 117.580 120.570 -0.066 0.000 3.322 156 I HA 0.511 4.681 4.170 0.000 0.000 0.313 156 I C -0.396 175.735 176.117 0.024 0.000 1.129 156 I CA -1.745 59.520 61.300 -0.059 0.000 0.963 156 I CB 1.195 39.050 38.000 -0.242 0.000 1.273 156 I HN -0.352 nan 8.210 nan 0.000 0.473 157 N N 2.457 121.225 118.700 0.114 0.000 2.402 157 N HA 0.367 5.107 4.740 0.000 0.000 0.252 157 N C -0.862 174.761 175.510 0.189 0.000 1.118 157 N CA -0.120 53.007 53.050 0.129 0.000 0.945 157 N CB 0.786 39.347 38.487 0.124 0.000 1.147 157 N HN 0.761 nan 8.380 nan 0.000 0.495 158 S N 1.260 117.027 115.700 0.112 0.000 2.599 158 S HA 0.776 5.246 4.470 0.000 0.000 0.287 158 S C -0.452 174.174 174.600 0.042 0.000 1.105 158 S CA -0.892 57.376 58.200 0.113 0.000 0.899 158 S CB 1.602 64.859 63.200 0.096 0.000 1.100 158 S HN 0.308 nan 8.310 nan 0.000 0.482 159 I N 2.141 122.720 120.570 0.015 0.000 2.534 159 I HA 0.513 4.683 4.170 0.000 0.000 0.286 159 I C -0.657 175.406 176.117 -0.091 0.000 1.094 159 I CA -0.693 60.575 61.300 -0.054 0.000 1.055 159 I CB 1.538 39.492 38.000 -0.076 0.000 1.225 159 I HN 0.880 nan 8.210 nan 0.000 0.435 160 I N 0.532 121.029 120.570 -0.120 0.000 3.343 160 I HA 0.633 4.803 4.170 0.000 0.000 0.315 160 I C -1.643 174.352 176.117 -0.204 0.000 1.153 160 I CA -0.906 60.328 61.300 -0.110 0.000 0.952 160 I CB 2.443 40.457 38.000 0.023 0.000 1.287 160 I HN 0.137 nan 8.210 nan 0.000 0.472 161 F N 1.181 121.193 119.950 0.104 0.000 2.420 161 F HA 0.374 4.901 4.527 0.000 0.000 0.342 161 F C 1.103 177.001 175.800 0.164 0.000 1.113 161 F CA -0.496 57.570 58.000 0.110 0.000 1.059 161 F CB 1.793 40.855 39.000 0.104 0.000 1.128 161 F HN 0.481 nan 8.300 nan 0.000 0.475 162 S N 2.941 118.828 115.700 0.312 0.000 2.973 162 S HA -0.142 4.328 4.470 0.000 0.000 0.357 162 S C 1.375 176.114 174.600 0.232 0.000 1.159 162 S CA -0.034 58.291 58.200 0.208 0.000 1.423 162 S CB -0.870 62.394 63.200 0.106 0.000 1.115 162 S HN 0.727 nan 8.310 nan 0.000 0.563 163 H N 1.963 121.137 119.070 0.174 0.000 2.545 163 H HA 0.104 4.660 4.556 -0.000 0.000 0.282 163 H C 1.748 177.182 175.328 0.177 0.000 1.020 163 H CA 1.126 57.278 56.048 0.174 0.000 1.243 163 H CB 0.056 29.867 29.762 0.081 0.000 1.377 163 H HN 0.571 nan 8.280 nan 0.000 0.581 164 E N 1.063 121.096 120.200 -0.278 0.000 2.016 164 E HA -0.122 4.228 4.350 0.000 0.000 0.190 164 E C 1.643 178.230 176.600 -0.022 0.000 0.985 164 E CA 1.441 57.767 56.400 -0.123 0.000 0.802 164 E CB -0.065 29.542 29.700 -0.155 0.000 0.762 164 E HN 0.512 nan 8.360 nan 0.000 0.448 165 D N -0.562 119.820 120.400 -0.029 0.000 2.144 165 D HA -0.094 4.546 4.640 0.000 0.000 0.200 165 D C 1.839 178.106 176.300 -0.055 0.000 0.978 165 D CA 1.295 55.259 54.000 -0.060 0.000 0.833 165 D CB -0.579 40.206 40.800 -0.025 0.000 0.961 165 D HN 0.362 nan 8.370 nan 0.000 0.470 166 G N 0.579 109.405 108.800 0.042 0.000 2.470 166 G HA2 -0.228 3.732 3.960 0.000 0.000 0.220 166 G HA3 -0.228 3.732 3.960 0.000 0.000 0.220 166 G C 1.662 176.648 174.900 0.143 0.000 1.121 166 G CA 1.740 46.868 45.100 0.046 0.000 0.766 166 G HN 0.435 nan 8.290 nan 0.000 0.553 167 T N -2.692 111.981 114.554 0.199 0.000 3.000 167 T HA 0.188 4.538 4.350 0.000 0.000 0.248 167 T C 2.069 176.780 174.700 0.018 0.000 1.034 167 T CA 0.416 62.722 62.100 0.343 0.000 1.060 167 T CB 0.133 69.243 68.868 0.404 0.000 0.983 167 T HN 0.256 nan 8.240 nan 0.000 0.482 168 R N 1.177 121.439 120.500 -0.396 0.000 2.075 168 R HA 0.029 4.369 4.340 0.000 0.000 0.230 168 R C 2.314 178.413 176.300 -0.335 0.000 1.140 168 R CA 1.567 57.144 56.100 -0.871 0.000 0.928 168 R CB -0.739 29.078 30.300 -0.806 0.000 0.834 168 R HN 0.379 nan 8.270 nan 0.000 0.429 169 L N 0.047 121.154 121.223 -0.193 0.000 1.990 169 L HA -0.166 4.174 4.340 0.000 0.000 0.213 169 L C 2.688 179.536 176.870 -0.036 0.000 1.072 169 L CA 1.736 56.521 54.840 -0.092 0.000 0.755 169 L CB -0.991 41.011 42.059 -0.096 0.000 0.889 169 L HN 0.537 nan 8.230 nan 0.000 0.432 170 G N -0.607 108.163 108.800 -0.049 0.000 2.475 170 G HA2 -0.197 3.763 3.960 0.000 0.000 0.220 170 G HA3 -0.197 3.763 3.960 0.000 0.000 0.220 170 G C 1.522 176.423 174.900 0.003 0.000 1.125 170 G CA 1.166 46.245 45.100 -0.034 0.000 0.755 170 G HN 0.230 nan 8.290 nan 0.000 0.565 171 V N 0.266 120.189 119.914 0.016 0.000 2.300 171 V HA -0.072 4.048 4.120 0.000 0.000 0.241 171 V C 2.560 178.690 176.094 0.060 0.000 1.034 171 V CA 1.815 64.144 62.300 0.049 0.000 1.021 171 V CB -0.611 31.289 31.823 0.128 0.000 0.662 171 V HN 0.400 nan 8.190 nan 0.000 0.458 172 E N -0.261 119.961 120.200 0.036 0.000 2.114 172 E HA -0.354 3.996 4.350 0.000 0.000 0.199 172 E C 2.107 178.734 176.600 0.045 0.000 1.008 172 E CA 2.103 58.524 56.400 0.036 0.000 0.810 172 E CB -0.295 29.410 29.700 0.008 0.000 0.739 172 E HN 0.747 nan 8.360 nan 0.000 0.456 173 H N 0.422 119.482 119.070 -0.018 0.000 2.353 173 H HA -0.053 4.503 4.556 -0.000 0.000 0.300 173 H C 1.965 177.309 175.328 0.027 0.000 1.090 173 H CA 1.390 57.433 56.048 -0.008 0.000 1.327 173 H CB 0.032 29.776 29.762 -0.029 0.000 1.383 173 H HN 0.054 nan 8.280 nan 0.000 0.508 174 L N -0.844 120.449 121.223 0.117 0.000 2.179 174 L HA -0.069 4.271 4.340 0.000 0.000 0.208 174 L C 2.354 179.289 176.870 0.109 0.000 1.096 174 L CA 0.544 55.467 54.840 0.139 0.000 0.779 174 L CB -0.216 41.893 42.059 0.084 0.000 0.922 174 L HN 0.232 nan 8.230 nan 0.000 0.443 175 V N 0.378 120.326 119.914 0.056 0.000 2.379 175 V HA -0.167 3.953 4.120 0.000 0.000 0.245 175 V C 2.681 178.769 176.094 -0.011 0.000 1.044 175 V CA 1.671 63.994 62.300 0.038 0.000 1.036 175 V CB -0.359 31.492 31.823 0.047 0.000 0.664 175 V HN 0.439 nan 8.190 nan 0.000 0.453 176 A N -0.979 121.817 122.820 -0.041 0.000 2.121 176 A HA -0.050 4.270 4.320 0.000 0.000 0.218 176 A C 2.052 179.564 177.584 -0.119 0.000 1.154 176 A CA 1.171 53.162 52.037 -0.077 0.000 0.679 176 A CB -0.387 18.557 19.000 -0.093 0.000 0.795 176 A HN 0.514 nan 8.150 nan 0.000 0.458 177 L N -1.576 119.564 121.223 -0.138 0.000 2.591 177 L HA 0.183 4.523 4.340 0.000 0.000 0.228 177 L C 1.658 178.396 176.870 -0.220 0.000 1.133 177 L CA 0.662 55.400 54.840 -0.170 0.000 0.880 177 L CB 0.119 42.105 42.059 -0.122 0.000 1.033 177 L HN 0.576 nan 8.230 nan 0.000 0.450 178 G N -1.338 107.370 108.800 -0.154 0.000 2.175 178 G HA2 -0.236 3.724 3.960 0.000 0.000 0.244 178 G HA3 -0.236 3.724 3.960 0.000 0.000 0.244 178 G C 0.311 175.108 174.900 -0.171 0.000 0.982 178 G CA -0.315 44.691 45.100 -0.157 0.000 0.641 178 G HN 0.355 nan 8.290 nan 0.000 0.527 179 H N -0.110 118.946 119.070 -0.024 0.000 2.757 179 H HA 0.434 4.990 4.556 -0.000 0.000 0.370 179 H C 1.306 176.631 175.328 -0.005 0.000 1.172 179 H CA 1.070 57.111 56.048 -0.013 0.000 1.426 179 H CB 1.097 30.851 29.762 -0.012 0.000 1.438 179 H HN 0.487 nan 8.280 nan 0.000 0.612 180 Q N -0.344 119.541 119.800 0.142 0.000 2.142 180 Q HA 0.034 4.374 4.340 0.000 0.000 0.216 180 Q C -0.353 175.687 176.000 0.068 0.000 0.708 180 Q CA -0.090 55.761 55.803 0.080 0.000 0.879 180 Q CB 0.990 29.756 28.738 0.047 0.000 1.261 180 Q HN 0.429 nan 8.270 nan 0.000 0.452 181 Q N 1.342 121.186 119.800 0.074 0.000 2.490 181 Q HA 0.353 4.693 4.340 0.000 0.000 0.226 181 Q C -0.800 175.215 176.000 0.024 0.000 1.132 181 Q CA 0.427 56.258 55.803 0.046 0.000 0.928 181 Q CB 0.363 29.126 28.738 0.043 0.000 1.299 181 Q HN 0.343 nan 8.270 nan 0.000 0.528 182 I N 1.224 121.801 120.570 0.012 0.000 2.354 182 I HA 0.524 4.694 4.170 0.000 0.000 0.292 182 I C -0.038 176.060 176.117 -0.030 0.000 0.989 182 I CA -0.906 60.375 61.300 -0.031 0.000 1.188 182 I CB 1.755 39.736 38.000 -0.031 0.000 1.342 182 I HN 0.348 nan 8.210 nan 0.000 0.457 183 A N 7.668 130.452 122.820 -0.061 0.000 2.312 183 A HA 0.852 5.172 4.320 0.000 0.000 0.326 183 A C -0.678 176.852 177.584 -0.089 0.000 1.172 183 A CA -0.552 51.459 52.037 -0.044 0.000 0.821 183 A CB 0.862 19.840 19.000 -0.035 0.000 1.166 183 A HN 0.681 nan 8.150 nan 0.000 0.493 184 L N 1.779 122.977 121.223 -0.043 0.000 2.334 184 L HA 0.588 4.928 4.340 0.000 0.000 0.276 184 L C -0.970 175.920 176.870 0.033 0.000 1.014 184 L CA -0.837 53.964 54.840 -0.064 0.000 0.815 184 L CB 1.656 43.783 42.059 0.112 0.000 1.268 184 L HN 0.625 nan 8.230 nan 0.000 0.428 185 L N 2.944 124.199 121.223 0.053 0.000 2.388 185 L HA 0.693 5.033 4.340 0.000 0.000 0.267 185 L C 0.017 177.054 176.870 0.279 0.000 0.995 185 L CA -0.019 54.890 54.840 0.115 0.000 0.864 185 L CB 1.098 43.192 42.059 0.057 0.000 1.216 185 L HN 0.710 nan 8.230 nan 0.000 0.430 186 A N 2.881 125.831 122.820 0.216 0.000 2.246 186 A HA 0.860 5.180 4.320 0.000 0.000 0.291 186 A C 0.529 178.031 177.584 -0.138 0.000 1.103 186 A CA 0.106 52.201 52.037 0.096 0.000 0.844 186 A CB 0.240 19.212 19.000 -0.047 0.000 1.136 186 A HN 0.793 nan 8.150 nan 0.000 0.500 187 G N -1.484 107.071 108.800 -0.408 0.000 2.568 187 G HA2 0.562 4.522 3.960 0.000 0.000 0.293 187 G HA3 0.562 4.522 3.960 0.000 0.000 0.293 187 G C -2.928 171.501 174.900 -0.785 0.000 1.347 187 G CA -1.636 42.885 45.100 -0.966 0.000 1.039 187 G HN 0.479 nan 8.290 nan 0.000 0.523 188 P HA 0.132 nan 4.420 nan 0.000 0.266 188 P C 0.724 177.814 177.300 -0.351 0.000 1.215 188 P CA 0.005 62.804 63.100 -0.501 0.000 0.763 188 P CB 0.517 31.946 31.700 -0.451 0.000 0.806 189 L N 1.663 122.745 121.223 -0.234 0.000 2.633 189 L HA -0.116 4.224 4.340 0.000 0.000 0.235 189 L C 1.688 178.487 176.870 -0.119 0.000 1.163 189 L CA 0.867 55.606 54.840 -0.169 0.000 0.859 189 L CB -0.762 41.219 42.059 -0.129 0.000 0.973 189 L HN 0.355 nan 8.230 nan 0.000 0.451 190 S N -0.880 114.754 115.700 -0.110 0.000 2.406 190 S HA -0.066 4.404 4.470 0.000 0.000 0.228 190 S C 1.149 175.714 174.600 -0.059 0.000 1.020 190 S CA 0.639 58.798 58.200 -0.067 0.000 0.965 190 S CB -0.189 62.982 63.200 -0.048 0.000 0.798 190 S HN 0.593 nan 8.310 nan 0.000 0.488 191 S N 1.755 117.421 115.700 -0.055 0.000 2.562 191 S HA 0.359 4.829 4.470 0.000 0.000 0.275 191 S C 1.448 176.022 174.600 -0.043 0.000 1.281 191 S CA -0.581 57.605 58.200 -0.024 0.000 1.045 191 S CB 1.358 64.615 63.200 0.095 0.000 0.962 191 S HN 0.111 nan 8.310 nan 0.000 0.503 192 V N 2.111 121.991 119.914 -0.056 0.000 2.231 192 V HA -0.225 3.895 4.120 0.000 0.000 0.248 192 V C 2.732 178.770 176.094 -0.093 0.000 1.054 192 V CA 2.171 64.422 62.300 -0.081 0.000 1.015 192 V CB -2.330 29.440 31.823 -0.088 0.000 0.638 192 V HN 1.013 nan 8.190 nan 0.000 0.444 193 S N 2.296 117.963 115.700 -0.055 0.000 2.372 193 S HA -0.260 4.210 4.470 0.000 0.000 0.227 193 S C 2.159 176.741 174.600 -0.029 0.000 1.044 193 S CA 1.833 60.007 58.200 -0.044 0.000 1.050 193 S CB -1.119 62.086 63.200 0.008 0.000 0.901 193 S HN 0.979 nan 8.310 nan 0.000 0.447 194 A N 2.165 125.021 122.820 0.061 0.000 1.877 194 A HA -0.017 4.303 4.320 0.000 0.000 0.216 194 A C 2.379 179.832 177.584 -0.219 0.000 1.186 194 A CA 1.378 53.378 52.037 -0.062 0.000 0.620 194 A CB -0.630 18.230 19.000 -0.234 0.000 0.822 194 A HN 0.487 nan 8.150 nan 0.000 0.443 195 R N -1.254 119.140 120.500 -0.176 0.000 2.148 195 R HA -0.050 4.290 4.340 0.000 0.000 0.227 195 R C 1.838 178.026 176.300 -0.187 0.000 1.103 195 R CA 0.884 56.876 56.100 -0.181 0.000 0.983 195 R CB -0.294 29.930 30.300 -0.126 0.000 0.874 195 R HN 0.393 nan 8.270 nan 0.000 0.451 196 L N 0.659 121.769 121.223 -0.187 0.000 2.109 196 L HA -0.091 4.249 4.340 0.000 0.000 0.207 196 L C 2.079 178.853 176.870 -0.159 0.000 1.086 196 L CA 1.632 56.356 54.840 -0.192 0.000 0.760 196 L CB -0.539 41.325 42.059 -0.324 0.000 0.910 196 L HN 0.040 nan 8.230 nan 0.000 0.437 197 R N -1.355 118.969 120.500 -0.293 0.000 2.073 197 R HA -0.074 4.266 4.340 0.000 0.000 0.229 197 R C 1.965 177.724 176.300 -0.902 0.000 1.120 197 R CA 0.677 56.472 56.100 -0.510 0.000 0.967 197 R CB -0.343 29.600 30.300 -0.595 0.000 0.862 197 R HN 0.206 nan 8.270 nan 0.000 0.436 198 L N 0.638 121.393 121.223 -0.780 0.000 2.275 198 L HA -0.036 4.304 4.340 0.000 0.000 0.215 198 L C 1.848 178.501 176.870 -0.361 0.000 1.119 198 L CA 1.556 55.970 54.840 -0.710 0.000 0.790 198 L CB -0.734 41.044 42.059 -0.468 0.000 0.919 198 L HN 0.168 nan 8.230 nan 0.000 0.443 199 A N -0.381 122.323 122.820 -0.193 0.000 1.897 199 A HA 0.018 4.338 4.320 0.000 0.000 0.215 199 A C 2.328 179.978 177.584 0.111 0.000 1.181 199 A CA 1.158 53.203 52.037 0.013 0.000 0.620 199 A CB -0.967 18.053 19.000 0.035 0.000 0.821 199 A HN 0.445 nan 8.150 nan 0.000 0.443 200 G N -0.976 107.885 108.800 0.101 0.000 2.453 200 G HA2 -0.213 3.747 3.960 0.000 0.000 0.215 200 G HA3 -0.213 3.747 3.960 0.000 0.000 0.215 200 G C 1.319 176.515 174.900 0.492 0.000 1.201 200 G CA 1.013 46.305 45.100 0.319 0.000 0.784 200 G HN 0.528 nan 8.290 nan 0.000 0.545 201 W N 0.792 122.252 121.300 0.267 0.000 2.305 201 W HA -0.096 4.565 4.660 0.000 0.000 0.308 201 W C 2.347 179.026 176.519 0.267 0.000 1.226 201 W CA 1.035 58.519 57.345 0.232 0.000 1.253 201 W CB -1.490 28.040 29.460 0.118 0.000 1.146 201 W HN 0.471 nan 8.180 nan 0.000 0.507 202 H N -0.491 118.781 119.070 0.336 0.000 2.353 202 H HA -0.174 4.382 4.556 0.000 0.000 0.300 202 H C 2.297 177.688 175.328 0.104 0.000 1.090 202 H CA 1.739 57.898 56.048 0.184 0.000 1.327 202 H CB 0.071 29.898 29.762 0.108 0.000 1.383 202 H HN 0.076 nan 8.280 nan 0.000 0.508 203 K N 0.471 120.972 120.400 0.168 0.000 2.025 203 K HA -0.177 4.143 4.320 0.000 0.000 0.207 203 K C 1.631 178.112 176.600 -0.197 0.000 1.049 203 K CA 1.581 57.806 56.287 -0.105 0.000 0.933 203 K CB -0.157 32.156 32.500 -0.311 0.000 0.714 203 K HN 0.251 nan 8.250 nan 0.000 0.438 204 Y N 1.076 121.465 120.300 0.149 0.000 2.314 204 Y HA -0.065 4.485 4.550 0.000 0.000 0.293 204 Y C 1.993 177.960 175.900 0.111 0.000 1.129 204 Y CA 0.872 59.047 58.100 0.123 0.000 1.201 204 Y CB -0.144 38.399 38.460 0.138 0.000 0.999 204 Y HN -0.009 nan 8.280 nan 0.000 0.541 205 L N -0.492 120.880 121.223 0.249 0.000 2.093 205 L HA -0.191 4.149 4.340 0.000 0.000 0.208 205 L C 2.627 179.560 176.870 0.104 0.000 1.085 205 L CA 1.870 56.815 54.840 0.174 0.000 0.755 205 L CB -0.928 41.243 42.059 0.186 0.000 0.904 205 L HN 0.362 nan 8.230 nan 0.000 0.435 206 T N -2.708 111.885 114.554 0.066 0.000 2.896 206 T HA -0.114 4.236 4.350 0.000 0.000 0.263 206 T C 1.971 176.680 174.700 0.016 0.000 1.050 206 T CA 0.395 62.507 62.100 0.020 0.000 1.140 206 T CB -0.156 68.700 68.868 -0.020 0.000 0.877 206 T HN 0.186 nan 8.240 nan 0.000 0.457 207 R N 1.159 121.664 120.500 0.009 0.000 2.285 207 R HA 0.147 4.487 4.340 0.000 0.000 0.213 207 R C 0.638 176.969 176.300 0.052 0.000 1.068 207 R CA 0.809 56.914 56.100 0.009 0.000 1.004 207 R CB -0.445 29.835 30.300 -0.034 0.000 0.873 207 R HN 0.527 nan 8.270 nan 0.000 0.467 208 N N 0.347 119.091 118.700 0.073 0.000 2.338 208 N HA 0.017 4.757 4.740 0.000 0.000 0.251 208 N C -0.813 174.730 175.510 0.056 0.000 1.199 208 N CA -0.162 52.933 53.050 0.076 0.000 0.879 208 N CB 0.686 39.236 38.487 0.105 0.000 1.159 208 N HN -0.155 nan 8.380 nan 0.000 0.514 209 Q N -0.131 119.694 119.800 0.041 0.000 2.434 209 Q HA -0.175 4.165 4.340 0.000 0.000 0.299 209 Q C -1.101 174.920 176.000 0.035 0.000 1.286 209 Q CA 0.949 56.770 55.803 0.030 0.000 0.872 209 Q CB -1.377 27.374 28.738 0.023 0.000 1.193 209 Q HN 0.525 nan 8.270 nan 0.000 0.466 210 I N -0.814 119.784 120.570 0.046 0.000 3.042 210 I HA 0.580 4.750 4.170 0.000 0.000 0.310 210 I C -0.223 175.926 176.117 0.054 0.000 1.117 210 I CA -1.261 60.070 61.300 0.051 0.000 1.003 210 I CB 2.186 40.226 38.000 0.067 0.000 1.228 210 I HN -0.197 nan 8.210 nan 0.000 0.443 211 Q N 3.535 123.368 119.800 0.055 0.000 2.271 211 Q HA 0.426 4.766 4.340 0.000 0.000 0.268 211 Q C -2.614 173.432 176.000 0.075 0.000 1.021 211 Q CA -1.809 54.030 55.803 0.060 0.000 0.802 211 Q CB 2.349 31.105 28.738 0.030 0.000 1.282 211 Q HN 0.201 nan 8.270 nan 0.000 0.431 212 P HA -0.030 nan 4.420 nan 0.000 0.263 212 P C 0.470 177.812 177.300 0.071 0.000 1.175 212 P CA 0.317 63.475 63.100 0.097 0.000 0.761 212 P CB 0.601 32.390 31.700 0.149 0.000 0.794 213 I N -0.045 120.552 120.570 0.045 0.000 3.059 213 I HA 0.296 4.466 4.170 0.000 0.000 0.270 213 I C 0.749 176.885 176.117 0.032 0.000 1.238 213 I CA 0.402 61.723 61.300 0.034 0.000 1.478 213 I CB -0.086 37.928 38.000 0.024 0.000 1.097 213 I HN 0.277 nan 8.210 nan 0.000 0.455 214 A N 0.724 123.565 122.820 0.035 0.000 2.606 214 A HA 0.766 5.087 4.320 0.000 0.000 0.293 214 A C -1.109 176.502 177.584 0.045 0.000 1.082 214 A CA -0.473 51.583 52.037 0.031 0.000 0.685 214 A CB 1.502 20.511 19.000 0.014 0.000 1.284 214 A HN 0.257 nan 8.150 nan 0.000 0.408 215 E N 0.877 121.104 120.200 0.044 0.000 2.378 215 E HA 0.417 4.767 4.350 0.000 0.000 0.282 215 E C -0.897 175.722 176.600 0.032 0.000 0.910 215 E CA -0.554 55.879 56.400 0.056 0.000 0.816 215 E CB 0.849 30.598 29.700 0.082 0.000 1.359 215 E HN 0.611 nan 8.360 nan 0.000 0.397 216 R N 1.694 122.210 120.500 0.027 0.000 2.944 216 R HA 0.511 4.851 4.340 0.000 0.000 0.233 216 R C -0.644 175.653 176.300 -0.004 0.000 1.346 216 R CA -0.720 55.382 56.100 0.004 0.000 1.082 216 R CB 1.318 31.616 30.300 -0.004 0.000 1.434 216 R HN 0.600 nan 8.270 nan 0.000 0.510 217 E N 0.087 120.267 120.200 -0.033 0.000 2.343 217 E HA 0.346 4.696 4.350 0.000 0.000 0.260 217 E C -0.675 175.868 176.600 -0.094 0.000 0.908 217 E CA -0.358 55.998 56.400 -0.073 0.000 0.814 217 E CB 1.220 30.866 29.700 -0.091 0.000 1.302 217 E HN 0.737 nan 8.360 nan 0.000 0.408 218 G N 2.208 110.943 108.800 -0.108 0.000 2.582 218 G HA2 0.194 4.154 3.960 0.000 0.000 0.232 218 G HA3 0.194 4.154 3.960 0.000 0.000 0.232 218 G C 0.183 174.963 174.900 -0.199 0.000 1.458 218 G CA 0.222 45.260 45.100 -0.103 0.000 1.062 218 G HN 0.676 nan 8.290 nan 0.000 0.566 219 D N -3.084 117.220 120.400 -0.159 0.000 2.712 219 D HA 0.026 4.666 4.640 0.000 0.000 0.300 219 D C 0.293 176.570 176.300 -0.037 0.000 1.521 219 D CA -0.621 53.239 54.000 -0.232 0.000 0.790 219 D CB -0.781 39.966 40.800 -0.088 0.000 1.155 219 D HN 0.756 nan 8.370 nan 0.000 0.456 220 W N 0.161 121.463 121.300 0.004 0.000 0.999 220 W HA -0.297 4.363 4.660 -0.000 0.000 0.229 220 W C 0.836 177.347 176.519 -0.015 0.000 0.956 220 W CA 0.395 57.740 57.345 -0.001 0.000 0.366 220 W CB -1.768 27.681 29.460 -0.018 0.000 1.957 220 W HN 0.244 nan 8.180 nan 0.000 1.176 221 S N 0.750 116.570 115.700 0.200 0.000 2.669 221 S HA 0.785 5.255 4.470 0.000 0.000 0.270 221 S C 1.021 175.672 174.600 0.085 0.000 1.225 221 S CA -0.150 58.110 58.200 0.099 0.000 0.991 221 S CB 1.866 65.108 63.200 0.070 0.000 0.987 221 S HN 0.519 nan 8.310 nan 0.000 0.552 222 A N 1.337 124.188 122.820 0.051 0.000 1.855 222 A HA 0.001 4.321 4.320 0.000 0.000 0.215 222 A C 2.142 179.780 177.584 0.090 0.000 1.191 222 A CA 1.688 53.754 52.037 0.048 0.000 0.613 222 A CB -1.104 17.898 19.000 0.003 0.000 0.829 222 A HN 0.855 nan 8.150 nan 0.000 0.442 223 M N 1.373 121.031 119.600 0.097 0.000 2.192 223 M HA -0.177 4.303 4.480 0.000 0.000 0.259 223 M C 2.276 178.650 176.300 0.123 0.000 1.071 223 M CA 2.186 57.577 55.300 0.151 0.000 1.082 223 M CB -0.711 31.956 32.600 0.111 0.000 1.373 223 M HN 0.622 nan 8.290 nan 0.000 0.408 224 S N -1.304 114.442 115.700 0.076 0.000 2.355 224 S HA -0.028 4.442 4.470 0.000 0.000 0.222 224 S C 2.227 176.859 174.600 0.052 0.000 1.031 224 S CA 1.109 59.332 58.200 0.037 0.000 0.993 224 S CB -1.701 61.510 63.200 0.019 0.000 0.859 224 S HN 0.538 nan 8.310 nan 0.000 0.453 225 G N 1.000 109.854 108.800 0.089 0.000 2.440 225 G HA2 -0.144 3.816 3.960 0.000 0.000 0.218 225 G HA3 -0.144 3.816 3.960 0.000 0.000 0.218 225 G C 1.147 176.135 174.900 0.146 0.000 1.154 225 G CA 0.985 46.145 45.100 0.099 0.000 0.767 225 G HN 0.476 nan 8.290 nan 0.000 0.552 226 F N 1.582 121.527 119.950 -0.010 0.000 2.000 226 F HA -0.061 4.467 4.527 0.000 0.000 0.295 226 F C 2.852 178.646 175.800 -0.011 0.000 1.159 226 F CA 1.654 59.645 58.000 -0.014 0.000 1.171 226 F CB -0.960 38.029 39.000 -0.018 0.000 0.971 226 F HN 0.123 nan 8.300 nan 0.000 0.479 227 Q N 0.310 119.897 119.800 -0.356 0.000 1.991 227 Q HA -0.356 3.984 4.340 0.000 0.000 0.213 227 Q C 2.136 177.987 176.000 -0.248 0.000 1.022 227 Q CA 2.556 58.099 55.803 -0.435 0.000 0.877 227 Q CB -1.258 27.346 28.738 -0.223 0.000 0.970 227 Q HN 0.519 nan 8.270 nan 0.000 0.414 228 Q N -0.131 119.597 119.800 -0.120 0.000 2.133 228 Q HA -0.137 4.203 4.340 0.000 0.000 0.208 228 Q C 2.070 178.035 176.000 -0.058 0.000 0.991 228 Q CA 2.355 58.115 55.803 -0.072 0.000 0.867 228 Q CB -0.500 28.218 28.738 -0.034 0.000 0.911 228 Q HN 0.497 nan 8.270 nan 0.000 0.417 229 T N 0.172 114.705 114.554 -0.036 0.000 2.698 229 T HA -0.093 4.257 4.350 0.000 0.000 0.260 229 T C 1.496 176.181 174.700 -0.026 0.000 1.044 229 T CA 1.395 63.491 62.100 -0.007 0.000 1.149 229 T CB -0.309 68.585 68.868 0.044 0.000 0.864 229 T HN 0.353 nan 8.240 nan 0.000 0.419 230 M N 1.380 120.946 119.600 -0.056 0.000 2.539 230 M HA -0.012 4.468 4.480 0.000 0.000 0.261 230 M C 1.802 178.045 176.300 -0.095 0.000 1.069 230 M CA 1.403 56.664 55.300 -0.066 0.000 1.081 230 M CB -0.911 31.638 32.600 -0.084 0.000 1.412 230 M HN 0.242 nan 8.290 nan 0.000 0.482 231 Q N 0.062 119.793 119.800 -0.114 0.000 2.033 231 Q HA -0.106 4.234 4.340 0.000 0.000 0.196 231 Q C 2.242 178.212 176.000 -0.051 0.000 0.970 231 Q CA 1.880 57.629 55.803 -0.090 0.000 0.828 231 Q CB -0.155 28.526 28.738 -0.095 0.000 0.895 231 Q HN 0.647 nan 8.270 nan 0.000 0.440 232 M N 0.156 119.732 119.600 -0.040 0.000 2.108 232 M HA -0.189 4.291 4.480 0.000 0.000 0.261 232 M C 1.667 177.958 176.300 -0.015 0.000 1.066 232 M CA 1.485 56.772 55.300 -0.022 0.000 1.107 232 M CB -0.070 32.520 32.600 -0.016 0.000 1.356 232 M HN 0.295 nan 8.290 nan 0.000 0.406 233 L N -0.056 121.158 121.223 -0.015 0.000 2.131 233 L HA -0.221 4.119 4.340 0.000 0.000 0.210 233 L C 2.007 178.873 176.870 -0.007 0.000 1.092 233 L CA 1.361 56.199 54.840 -0.004 0.000 0.759 233 L CB -0.940 41.122 42.059 0.006 0.000 0.903 233 L HN 0.483 nan 8.230 nan 0.000 0.435 234 N N -0.156 118.533 118.700 -0.018 0.000 2.331 234 N HA -0.152 4.588 4.740 0.000 0.000 0.180 234 N C 1.072 176.574 175.510 -0.014 0.000 1.019 234 N CA 0.583 53.622 53.050 -0.018 0.000 0.881 234 N CB 0.134 38.602 38.487 -0.032 0.000 0.972 234 N HN 0.398 nan 8.380 nan 0.000 0.435 235 E N -0.052 120.140 120.200 -0.014 0.000 2.463 235 E HA 0.059 4.409 4.350 0.000 0.000 0.191 235 E C 0.717 177.315 176.600 -0.005 0.000 1.083 235 E CA -0.151 56.243 56.400 -0.010 0.000 0.872 235 E CB 0.176 29.869 29.700 -0.011 0.000 0.966 235 E HN 0.377 nan 8.360 nan 0.000 0.491 236 G N 1.734 110.532 108.800 -0.003 0.000 2.179 236 G HA2 -0.301 3.659 3.960 0.000 0.000 0.257 236 G HA3 -0.301 3.659 3.960 0.000 0.000 0.257 236 G C 0.226 175.127 174.900 0.003 0.000 1.010 236 G CA -0.059 45.041 45.100 0.001 0.000 0.736 236 G HN 0.318 nan 8.290 nan 0.000 0.513 237 I N 1.108 121.678 120.570 0.001 0.000 2.281 237 I HA 0.333 4.503 4.170 0.000 0.000 0.293 237 I C 0.142 176.262 176.117 0.004 0.000 1.085 237 I CA -0.511 60.791 61.300 0.003 0.000 1.257 237 I CB 1.216 39.217 38.000 0.002 0.000 1.430 237 I HN -0.119 nan 8.210 nan 0.000 0.489 238 V N 8.926 128.845 119.914 0.007 0.000 2.378 238 V HA 0.451 4.571 4.120 0.000 0.000 0.288 238 V C -1.821 174.280 176.094 0.010 0.000 1.016 238 V CA -1.081 61.224 62.300 0.008 0.000 0.840 238 V CB 1.552 33.382 31.823 0.011 0.000 0.994 238 V HN 0.612 nan 8.190 nan 0.000 0.431 239 P HA 0.468 nan 4.420 nan 0.000 0.288 239 P C 0.307 177.612 177.300 0.009 0.000 1.297 239 P CA -0.411 62.690 63.100 0.002 0.000 0.864 239 P CB 1.994 33.681 31.700 -0.021 0.000 1.237 240 T N -3.886 110.682 114.554 0.024 0.000 3.014 240 T HA 0.550 4.900 4.350 0.000 0.000 0.250 240 T C 0.592 175.189 174.700 -0.172 0.000 1.060 240 T CA 0.104 62.249 62.100 0.075 0.000 1.040 240 T CB -0.110 68.938 68.868 0.300 0.000 0.971 240 T HN 0.669 nan 8.240 nan 0.000 0.497 241 A N 0.944 123.599 122.820 -0.276 0.000 2.547 241 A HA 0.760 5.080 4.320 0.000 0.000 0.297 241 A C -1.171 176.276 177.584 -0.229 0.000 1.056 241 A CA -0.871 50.914 52.037 -0.421 0.000 0.688 241 A CB 1.433 19.948 19.000 -0.808 0.000 1.282 241 A HN 0.315 nan 8.150 nan 0.000 0.400 242 M N 2.535 122.017 119.600 -0.196 0.000 2.259 242 M HA 0.423 4.903 4.480 0.000 0.000 0.304 242 M C -1.469 174.704 176.300 -0.212 0.000 1.019 242 M CA -0.349 54.851 55.300 -0.166 0.000 0.922 242 M CB 1.723 34.263 32.600 -0.100 0.000 1.600 242 M HN 0.638 nan 8.290 nan 0.000 0.433 243 L N 4.106 125.130 121.223 -0.331 0.000 2.275 243 L HA 0.619 4.959 4.340 0.000 0.000 0.288 243 L C -0.730 175.856 176.870 -0.474 0.000 1.046 243 L CA -0.670 53.861 54.840 -0.514 0.000 0.805 243 L CB 1.514 43.001 42.059 -0.954 0.000 1.193 243 L HN 0.385 nan 8.230 nan 0.000 0.426 244 V N 2.174 121.979 119.914 -0.183 0.000 2.715 244 V HA 0.398 4.518 4.120 0.000 0.000 0.310 244 V C 0.816 177.143 176.094 0.388 0.000 1.054 244 V CA -0.440 61.908 62.300 0.080 0.000 0.928 244 V CB 1.687 33.574 31.823 0.106 0.000 1.007 244 V HN 0.874 nan 8.190 nan 0.000 0.437 245 A N 3.131 126.298 122.820 0.579 0.000 2.121 245 A HA 0.069 4.389 4.320 0.000 0.000 0.218 245 A C 0.796 178.705 177.584 0.541 0.000 1.154 245 A CA 1.565 53.978 52.037 0.626 0.000 0.679 245 A CB -0.526 18.707 19.000 0.389 0.000 0.795 245 A HN 1.066 nan 8.150 nan 0.000 0.458 246 N N -2.546 116.434 118.700 0.465 0.000 2.859 246 N HA 0.085 4.825 4.740 0.000 0.000 0.250 246 N C -0.897 174.803 175.510 0.317 0.000 1.341 246 N CA -0.181 53.106 53.050 0.394 0.000 0.881 246 N CB 0.070 38.775 38.487 0.363 0.000 1.516 246 N HN -0.181 nan 8.380 nan 0.000 0.503 247 D N 0.563 121.134 120.400 0.284 0.000 2.123 247 D HA -0.145 4.495 4.640 0.000 0.000 0.196 247 D C 1.396 177.899 176.300 0.338 0.000 0.992 247 D CA 1.781 55.964 54.000 0.304 0.000 0.833 247 D CB 0.121 41.085 40.800 0.274 0.000 0.954 247 D HN 0.612 nan 8.370 nan 0.000 0.455 248 Q N -0.290 119.678 119.800 0.281 0.000 2.045 248 Q HA -0.151 4.189 4.340 0.000 0.000 0.206 248 Q C 2.396 178.477 176.000 0.135 0.000 0.991 248 Q CA 1.245 57.164 55.803 0.194 0.000 0.851 248 Q CB -0.177 28.619 28.738 0.096 0.000 0.911 248 Q HN 0.351 nan 8.270 nan 0.000 0.418 249 M N -0.083 119.622 119.600 0.175 0.000 2.108 249 M HA -0.200 4.280 4.480 0.000 0.000 0.261 249 M C 2.383 178.751 176.300 0.114 0.000 1.066 249 M CA 1.455 56.843 55.300 0.146 0.000 1.107 249 M CB -0.430 32.278 32.600 0.180 0.000 1.356 249 M HN 0.274 nan 8.290 nan 0.000 0.406 250 A N 0.499 123.404 122.820 0.142 0.000 1.940 250 A HA -0.174 4.146 4.320 0.000 0.000 0.219 250 A C 2.178 179.786 177.584 0.041 0.000 1.176 250 A CA 1.295 53.402 52.037 0.116 0.000 0.631 250 A CB -0.945 18.157 19.000 0.170 0.000 0.814 250 A HN 0.527 nan 8.150 nan 0.000 0.446 251 L N -0.550 120.643 121.223 -0.049 0.000 1.970 251 L HA -0.186 4.154 4.340 0.000 0.000 0.212 251 L C 2.588 179.351 176.870 -0.177 0.000 1.071 251 L CA 2.119 56.751 54.840 -0.347 0.000 0.751 251 L CB -1.054 40.657 42.059 -0.578 0.000 0.889 251 L HN 0.453 nan 8.230 nan 0.000 0.432 252 G N -0.945 107.811 108.800 -0.073 0.000 2.446 252 G HA2 -0.336 3.624 3.960 0.000 0.000 0.217 252 G HA3 -0.336 3.624 3.960 0.000 0.000 0.217 252 G C 1.665 176.608 174.900 0.073 0.000 1.168 252 G CA 0.996 46.100 45.100 0.007 0.000 0.771 252 G HN 0.611 nan 8.290 nan 0.000 0.551 253 A N 0.639 123.505 122.820 0.077 0.000 1.908 253 A HA -0.068 4.252 4.320 0.000 0.000 0.218 253 A C 2.491 180.111 177.584 0.060 0.000 1.181 253 A CA 2.030 54.120 52.037 0.088 0.000 0.627 253 A CB -0.422 18.613 19.000 0.058 0.000 0.818 253 A HN 0.395 nan 8.150 nan 0.000 0.445 254 M N -1.371 118.237 119.600 0.013 0.000 2.073 254 M HA -0.223 4.257 4.480 0.000 0.000 0.258 254 M C 2.476 178.761 176.300 -0.024 0.000 1.070 254 M CA 2.245 57.541 55.300 -0.007 0.000 1.103 254 M CB -0.489 32.093 32.600 -0.030 0.000 1.321 254 M HN 0.542 nan 8.290 nan 0.000 0.405 255 R N 0.427 120.878 120.500 -0.081 0.000 2.096 255 R HA -0.133 4.207 4.340 0.000 0.000 0.235 255 R C 2.143 178.401 176.300 -0.070 0.000 1.127 255 R CA 1.584 57.589 56.100 -0.159 0.000 0.968 255 R CB -0.228 29.852 30.300 -0.366 0.000 0.861 255 R HN 0.371 nan 8.270 nan 0.000 0.440 256 A N 1.380 124.286 122.820 0.144 0.000 1.877 256 A HA -0.147 4.173 4.320 0.000 0.000 0.216 256 A C 2.154 179.847 177.584 0.182 0.000 1.186 256 A CA 1.468 53.746 52.037 0.401 0.000 0.620 256 A CB -0.547 18.721 19.000 0.447 0.000 0.822 256 A HN 0.344 nan 8.150 nan 0.000 0.443 257 I N -0.369 120.263 120.570 0.104 0.000 2.069 257 I HA -0.315 3.855 4.170 0.000 0.000 0.237 257 I C 2.713 178.857 176.117 0.046 0.000 1.053 257 I CA 2.081 63.416 61.300 0.058 0.000 1.311 257 I CB -1.043 36.979 38.000 0.035 0.000 1.030 257 I HN 0.304 nan 8.210 nan 0.000 0.398 258 T N -0.224 114.346 114.554 0.027 0.000 2.607 258 T HA -0.293 4.057 4.350 0.000 0.000 0.267 258 T C 1.800 176.512 174.700 0.020 0.000 1.049 258 T CA 1.959 64.067 62.100 0.012 0.000 1.162 258 T CB -0.423 68.438 68.868 -0.013 0.000 0.863 258 T HN 0.306 nan 8.240 nan 0.000 0.424 259 E N 0.749 120.964 120.200 0.025 0.000 2.171 259 E HA -0.090 4.260 4.350 0.000 0.000 0.197 259 E C 1.758 178.398 176.600 0.066 0.000 0.997 259 E CA 1.014 57.442 56.400 0.045 0.000 0.810 259 E CB -0.115 29.637 29.700 0.087 0.000 0.738 259 E HN 0.295 nan 8.360 nan 0.000 0.467 260 S N -1.305 114.439 115.700 0.073 0.000 2.660 260 S HA 0.260 4.730 4.470 0.000 0.000 0.227 260 S C 0.785 175.407 174.600 0.036 0.000 0.948 260 S CA 0.444 58.678 58.200 0.056 0.000 0.948 260 S CB 0.730 63.965 63.200 0.058 0.000 0.779 260 S HN 0.512 nan 8.310 nan 0.000 0.487 261 G N 1.246 110.065 108.800 0.030 0.000 2.132 261 G HA2 -0.165 3.795 3.960 0.000 0.000 0.228 261 G HA3 -0.165 3.795 3.960 0.000 0.000 0.228 261 G C -0.333 174.579 174.900 0.020 0.000 1.000 261 G CA -0.414 44.699 45.100 0.022 0.000 0.693 261 G HN 0.346 nan 8.290 nan 0.000 0.515 262 L N -0.456 120.780 121.223 0.022 0.000 2.333 262 L HA 0.605 4.945 4.340 0.000 0.000 0.269 262 L C 0.799 177.680 176.870 0.019 0.000 1.010 262 L CA -1.100 53.752 54.840 0.021 0.000 0.818 262 L CB 1.513 43.586 42.059 0.022 0.000 1.306 262 L HN 0.165 nan 8.230 nan 0.000 0.430 263 R N 0.945 121.457 120.500 0.020 0.000 2.220 263 R HA 0.274 4.614 4.340 0.000 0.000 0.340 263 R C -0.165 176.149 176.300 0.023 0.000 1.076 263 R CA -0.430 55.682 56.100 0.019 0.000 0.920 263 R CB 1.049 31.361 30.300 0.020 0.000 1.062 263 R HN 0.427 nan 8.270 nan 0.000 0.469 264 V N 4.045 123.972 119.914 0.021 0.000 2.509 264 V HA 0.247 4.367 4.120 0.000 0.000 0.297 264 V C 1.014 177.125 176.094 0.029 0.000 1.014 264 V CA 1.891 64.205 62.300 0.023 0.000 1.127 264 V CB 0.077 31.913 31.823 0.021 0.000 0.925 264 V HN 1.039 nan 8.190 nan 0.000 0.480 265 G N 4.936 113.757 108.800 0.034 0.000 3.597 265 G HA2 -0.179 3.781 3.960 0.000 0.000 0.202 265 G HA3 -0.179 3.781 3.960 0.000 0.000 0.202 265 G C 1.146 176.082 174.900 0.061 0.000 1.702 265 G CA 0.756 45.885 45.100 0.048 0.000 1.354 265 G HN 1.838 nan 8.290 nan 0.000 0.609 266 A N 0.831 123.679 122.820 0.046 0.000 1.851 266 A HA 0.123 4.443 4.320 0.000 0.000 0.216 266 A C 1.835 179.451 177.584 0.054 0.000 1.195 266 A CA 2.863 54.927 52.037 0.044 0.000 0.622 266 A CB -0.842 18.176 19.000 0.030 0.000 0.831 266 A HN 0.600 nan 8.150 nan 0.000 0.444 267 D N -0.695 119.732 120.400 0.045 0.000 2.089 267 D HA 0.165 4.805 4.640 0.000 0.000 0.246 267 D C 0.494 176.829 176.300 0.057 0.000 1.015 267 D CA 0.709 54.737 54.000 0.047 0.000 0.917 267 D CB -0.137 40.682 40.800 0.032 0.000 1.015 267 D HN 0.346 nan 8.370 nan 0.000 0.425 268 I N 1.355 121.944 120.570 0.032 0.000 2.337 268 I HA 0.157 4.327 4.170 0.000 0.000 0.291 268 I C -0.311 175.800 176.117 -0.010 0.000 1.046 268 I CA -0.301 61.002 61.300 0.004 0.000 1.324 268 I CB 0.951 38.947 38.000 -0.006 0.000 1.409 268 I HN -0.041 nan 8.210 nan 0.000 0.494 269 S N 6.018 121.684 115.700 -0.058 0.000 2.554 269 S HA 0.563 5.033 4.470 0.000 0.000 0.278 269 S C -0.253 174.289 174.600 -0.096 0.000 1.242 269 S CA -0.735 57.433 58.200 -0.053 0.000 1.051 269 S CB 2.232 65.408 63.200 -0.039 0.000 0.986 269 S HN 0.524 nan 8.310 nan 0.000 0.502 270 V N 1.763 121.647 119.914 -0.049 0.000 2.709 270 V HA 0.820 4.940 4.120 0.000 0.000 0.308 270 V C -0.897 175.169 176.094 -0.048 0.000 1.062 270 V CA -0.564 61.702 62.300 -0.057 0.000 0.901 270 V CB 1.675 33.486 31.823 -0.020 0.000 1.003 270 V HN 0.645 nan 8.190 nan 0.000 0.425 271 V N 4.828 124.696 119.914 -0.076 0.000 2.881 271 V HA 0.961 5.081 4.120 0.000 0.000 0.316 271 V C 0.966 177.048 176.094 -0.020 0.000 1.070 271 V CA 0.378 62.629 62.300 -0.081 0.000 0.976 271 V CB 1.500 33.247 31.823 -0.127 0.000 1.038 271 V HN 1.263 nan 8.190 nan 0.000 0.446 272 G N 0.013 108.816 108.800 0.006 0.000 3.217 272 G HA2 0.653 4.613 3.960 0.000 0.000 0.213 272 G HA3 0.653 4.613 3.960 0.000 0.000 0.213 272 G C -2.112 172.883 174.900 0.159 0.000 1.294 272 G CA -0.433 44.733 45.100 0.109 0.000 0.987 272 G HN 0.495 nan 8.290 nan 0.000 0.584 273 Y N -0.507 119.859 120.300 0.110 0.000 2.333 273 Y HA 0.418 4.968 4.550 0.000 0.000 0.319 273 Y C -0.227 175.716 175.900 0.073 0.000 1.200 273 Y CA -0.701 57.461 58.100 0.103 0.000 1.084 273 Y CB 1.670 40.257 38.460 0.211 0.000 1.268 273 Y HN 0.679 nan 8.280 nan 0.000 0.422 274 D N 1.886 122.419 120.400 0.223 0.000 1.681 274 D HA -0.176 4.464 4.640 0.000 0.000 0.256 274 D C -0.170 176.106 176.300 -0.040 0.000 0.724 274 D CA 1.379 55.450 54.000 0.118 0.000 1.240 274 D CB -0.924 40.036 40.800 0.267 0.000 1.444 274 D HN 0.679 nan 8.370 nan 0.000 0.777 275 D N 1.074 121.465 120.400 -0.015 0.000 2.803 275 D HA -0.151 4.489 4.640 0.000 0.000 0.233 275 D C -0.203 176.087 176.300 -0.017 0.000 1.182 275 D CA 1.454 55.414 54.000 -0.066 0.000 0.726 275 D CB -0.597 40.123 40.800 -0.134 0.000 0.987 275 D HN 0.441 nan 8.370 nan 0.000 0.412 276 T N -1.419 113.176 114.554 0.069 0.000 2.726 276 T HA 0.210 4.560 4.350 0.000 0.000 0.294 276 T C 1.383 176.078 174.700 -0.008 0.000 1.013 276 T CA -0.193 61.979 62.100 0.121 0.000 0.996 276 T CB 0.904 69.876 68.868 0.174 0.000 1.016 276 T HN 0.195 nan 8.240 nan 0.000 0.529 277 E N 0.838 121.020 120.200 -0.029 0.000 2.019 277 E HA -0.214 4.136 4.350 0.000 0.000 0.208 277 E C 1.764 178.290 176.600 -0.123 0.000 1.030 277 E CA 2.025 58.381 56.400 -0.074 0.000 0.856 277 E CB -0.588 29.062 29.700 -0.083 0.000 0.781 277 E HN 0.699 nan 8.360 nan 0.000 0.471 278 D N -0.306 120.014 120.400 -0.132 0.000 2.280 278 D HA -0.139 4.501 4.640 0.000 0.000 0.206 278 D C 1.907 177.953 176.300 -0.424 0.000 0.988 278 D CA 1.056 54.966 54.000 -0.150 0.000 0.886 278 D CB -0.451 40.372 40.800 0.038 0.000 0.914 278 D HN 0.091 nan 8.370 nan 0.000 0.473 279 S N 0.242 115.584 115.700 -0.597 0.000 2.407 279 S HA -0.184 4.286 4.470 0.000 0.000 0.235 279 S C 2.059 176.349 174.600 -0.516 0.000 1.036 279 S CA 1.164 58.832 58.200 -0.886 0.000 1.013 279 S CB -0.247 62.659 63.200 -0.490 0.000 0.820 279 S HN 0.287 nan 8.310 nan 0.000 0.476 280 S N 0.075 115.604 115.700 -0.285 0.000 2.442 280 S HA -0.080 4.390 4.470 0.000 0.000 0.236 280 S C 1.523 176.052 174.600 -0.118 0.000 1.007 280 S CA 0.928 59.031 58.200 -0.161 0.000 0.965 280 S CB -0.353 62.782 63.200 -0.110 0.000 0.773 280 S HN 0.636 nan 8.310 nan 0.000 0.504 281 C N 0.684 119.907 119.300 -0.128 0.000 3.038 281 C HA 0.371 4.831 4.460 0.000 0.000 0.279 281 C C 0.109 175.176 174.990 0.128 0.000 1.276 281 C CA -1.174 57.840 59.018 -0.007 0.000 1.697 281 C CB -1.324 26.426 27.740 0.016 0.000 2.032 281 C HN 0.405 nan 8.230 nan 0.000 0.636 282 Y N 2.851 123.153 120.300 0.002 0.000 2.597 282 Y HA 0.062 4.612 4.550 -0.000 0.000 0.336 282 Y C 1.842 177.741 175.900 -0.001 0.000 1.216 282 Y CA -1.137 56.965 58.100 0.003 0.000 1.463 282 Y CB 0.072 38.538 38.460 0.010 0.000 1.303 282 Y HN 0.157 nan 8.280 nan 0.000 0.576 283 I N 2.141 122.798 120.570 0.145 0.000 2.109 283 I HA -0.187 3.983 4.170 0.000 0.000 0.233 283 I C -1.649 174.510 176.117 0.070 0.000 1.005 283 I CA 1.076 62.422 61.300 0.077 0.000 1.294 283 I CB -2.955 35.069 38.000 0.040 0.000 1.005 283 I HN 0.302 nan 8.210 nan 0.000 0.392 284 P HA 0.381 nan 4.420 nan 0.000 0.293 284 P C -2.557 174.786 177.300 0.071 0.000 1.313 284 P CA -1.376 61.756 63.100 0.054 0.000 0.787 284 P CB 0.748 32.476 31.700 0.047 0.000 0.910 285 P HA 0.031 nan 4.420 nan 0.000 0.266 285 P C -0.392 176.915 177.300 0.012 0.000 1.195 285 P CA 0.149 63.256 63.100 0.013 0.000 0.768 285 P CB 0.329 32.014 31.700 -0.025 0.000 0.838 286 L N 0.543 121.770 121.223 0.007 0.000 2.334 286 L HA 0.569 4.909 4.340 0.000 0.000 0.277 286 L C -0.291 176.552 176.870 -0.045 0.000 1.075 286 L CA -0.497 54.350 54.840 0.011 0.000 0.804 286 L CB 0.867 42.974 42.059 0.080 0.000 1.174 286 L HN 0.153 nan 8.230 nan 0.000 0.438 287 T N 1.959 116.476 114.554 -0.061 0.000 2.884 287 T HA 0.428 4.778 4.350 0.000 0.000 0.298 287 T C 0.179 174.800 174.700 -0.132 0.000 0.998 287 T CA -0.052 61.970 62.100 -0.131 0.000 1.124 287 T CB 1.022 69.775 68.868 -0.192 0.000 0.931 287 T HN 0.870 nan 8.240 nan 0.000 0.531 288 T N 1.744 116.203 114.554 -0.159 0.000 2.802 288 T HA 0.457 4.807 4.350 0.000 0.000 0.311 288 T C -1.391 173.177 174.700 -0.220 0.000 1.405 288 T CA -0.866 61.148 62.100 -0.144 0.000 1.016 288 T CB 0.788 69.606 68.868 -0.082 0.000 1.352 288 T HN 0.297 nan 8.240 nan 0.000 0.498 289 I N 3.618 124.005 120.570 -0.304 0.000 2.379 289 I HA 0.318 4.488 4.170 0.000 0.000 0.290 289 I C 0.783 176.670 176.117 -0.383 0.000 1.063 289 I CA -0.273 60.747 61.300 -0.467 0.000 1.351 289 I CB 0.723 38.129 38.000 -0.989 0.000 1.410 289 I HN 0.547 nan 8.210 nan 0.000 0.505 290 K N 7.269 127.479 120.400 -0.316 0.000 2.297 290 K HA 0.247 4.567 4.320 0.000 0.000 0.286 290 K C -0.470 175.862 176.600 -0.447 0.000 1.053 290 K CA -0.313 55.784 56.287 -0.317 0.000 0.940 290 K CB 0.761 33.116 32.500 -0.242 0.000 1.019 290 K HN 0.572 nan 8.250 nan 0.000 0.475 291 Q N 2.678 122.078 119.800 -0.666 0.000 2.333 291 Q HA 0.120 4.460 4.340 0.000 0.000 0.268 291 Q C -0.964 174.304 176.000 -1.220 0.000 1.007 291 Q CA -0.644 54.428 55.803 -1.219 0.000 0.810 291 Q CB 1.929 29.800 28.738 -1.445 0.000 1.264 291 Q HN 0.466 nan 8.270 nan 0.000 0.452 292 D N 2.928 122.845 120.400 -0.805 0.000 2.402 292 D HA 0.055 4.695 4.640 0.000 0.000 0.235 292 D C 0.080 176.342 176.300 -0.063 0.000 1.226 292 D CA -0.077 53.730 54.000 -0.322 0.000 0.918 292 D CB 0.361 41.135 40.800 -0.044 0.000 1.043 292 D HN 0.422 nan 8.370 nan 0.000 0.506 293 F N 2.272 122.263 119.950 0.069 0.000 2.365 293 F HA -0.014 4.513 4.527 -0.000 0.000 0.300 293 F C 2.534 178.411 175.800 0.128 0.000 1.090 293 F CA 0.379 58.473 58.000 0.157 0.000 1.408 293 F CB -0.372 38.670 39.000 0.070 0.000 1.060 293 F HN 0.362 nan 8.300 nan 0.000 0.534 294 R N 0.327 120.965 120.500 0.231 0.000 2.090 294 R HA -0.136 4.204 4.340 0.000 0.000 0.228 294 R C 2.149 178.526 176.300 0.128 0.000 1.110 294 R CA 1.038 57.226 56.100 0.146 0.000 0.973 294 R CB -0.472 29.882 30.300 0.089 0.000 0.869 294 R HN 0.316 nan 8.270 nan 0.000 0.440 295 L N 1.051 122.361 121.223 0.145 0.000 2.023 295 L HA -0.114 4.226 4.340 0.000 0.000 0.205 295 L C 2.177 179.114 176.870 0.112 0.000 1.073 295 L CA 1.411 56.322 54.840 0.118 0.000 0.745 295 L CB -0.809 41.331 42.059 0.136 0.000 0.900 295 L HN 0.240 nan 8.230 nan 0.000 0.435 296 L N 0.134 121.470 121.223 0.188 0.000 1.991 296 L HA -0.192 4.148 4.340 0.000 0.000 0.221 296 L C 2.351 179.268 176.870 0.079 0.000 1.079 296 L CA 2.484 57.381 54.840 0.095 0.000 0.778 296 L CB -1.575 40.662 42.059 0.295 0.000 0.893 296 L HN 0.372 nan 8.230 nan 0.000 0.437 297 G N -1.478 107.399 108.800 0.128 0.000 2.491 297 G HA2 -0.403 3.557 3.960 0.000 0.000 0.218 297 G HA3 -0.403 3.557 3.960 0.000 0.000 0.218 297 G C 1.439 176.365 174.900 0.043 0.000 1.180 297 G CA 0.959 46.106 45.100 0.079 0.000 0.774 297 G HN 0.651 nan 8.290 nan 0.000 0.562 298 Q N 0.057 119.885 119.800 0.046 0.000 2.030 298 Q HA -0.161 4.179 4.340 0.000 0.000 0.204 298 Q C 2.551 178.558 176.000 0.012 0.000 0.986 298 Q CA 2.404 58.223 55.803 0.027 0.000 0.843 298 Q CB -0.717 28.039 28.738 0.029 0.000 0.904 298 Q HN 0.436 nan 8.270 nan 0.000 0.420 299 T N 1.139 115.697 114.554 0.007 0.000 2.622 299 T HA -0.161 4.189 4.350 0.000 0.000 0.266 299 T C 2.153 176.845 174.700 -0.014 0.000 1.047 299 T CA 1.674 63.769 62.100 -0.010 0.000 1.159 299 T CB -0.562 68.288 68.868 -0.030 0.000 0.863 299 T HN 0.360 nan 8.240 nan 0.000 0.422 300 S N 1.280 116.971 115.700 -0.016 0.000 2.393 300 S HA -0.197 4.273 4.470 0.000 0.000 0.235 300 S C 2.295 176.885 174.600 -0.018 0.000 1.061 300 S CA 1.708 59.896 58.200 -0.020 0.000 1.129 300 S CB -1.080 62.112 63.200 -0.013 0.000 1.011 300 S HN 0.337 nan 8.310 nan 0.000 0.436 301 V N 2.623 122.531 119.914 -0.010 0.000 2.223 301 V HA -0.217 3.903 4.120 0.000 0.000 0.244 301 V C 2.242 178.330 176.094 -0.010 0.000 1.045 301 V CA 2.164 64.457 62.300 -0.011 0.000 1.000 301 V CB -1.031 30.789 31.823 -0.006 0.000 0.635 301 V HN 0.344 nan 8.190 nan 0.000 0.445 302 D N -0.239 120.158 120.400 -0.006 0.000 2.160 302 D HA -0.216 4.424 4.640 0.000 0.000 0.189 302 D C 2.322 178.618 176.300 -0.007 0.000 1.003 302 D CA 1.561 55.558 54.000 -0.005 0.000 0.846 302 D CB -0.418 40.380 40.800 -0.003 0.000 0.949 302 D HN 0.201 nan 8.370 nan 0.000 0.446 303 R N 0.104 120.599 120.500 -0.009 0.000 2.082 303 R HA -0.151 4.189 4.340 0.000 0.000 0.234 303 R C 2.470 178.765 176.300 -0.009 0.000 1.136 303 R CA 0.876 56.971 56.100 -0.008 0.000 0.935 303 R CB -1.011 29.282 30.300 -0.011 0.000 0.842 303 R HN 0.225 nan 8.270 nan 0.000 0.430 304 L N 1.525 122.739 121.223 -0.015 0.000 2.051 304 L HA -0.227 4.113 4.340 0.000 0.000 0.214 304 L C 2.251 179.113 176.870 -0.014 0.000 1.076 304 L CA 1.675 56.504 54.840 -0.018 0.000 0.758 304 L CB -0.487 41.555 42.059 -0.029 0.000 0.890 304 L HN 0.197 nan 8.230 nan 0.000 0.433 305 L N -0.823 120.393 121.223 -0.011 0.000 1.948 305 L HA -0.274 4.066 4.340 0.000 0.000 0.212 305 L C 2.829 179.696 176.870 -0.005 0.000 1.074 305 L CA 2.093 56.928 54.840 -0.008 0.000 0.753 305 L CB -0.972 41.083 42.059 -0.007 0.000 0.888 305 L HN 0.493 nan 8.230 nan 0.000 0.432 306 Q N 0.229 120.027 119.800 -0.004 0.000 2.135 306 Q HA -0.247 4.093 4.340 0.000 0.000 0.204 306 Q C 2.254 178.254 176.000 -0.000 0.000 0.981 306 Q CA 1.713 57.515 55.803 -0.002 0.000 0.856 306 Q CB -0.615 28.122 28.738 -0.001 0.000 0.902 306 Q HN 0.553 nan 8.270 nan 0.000 0.425 307 L N 1.818 123.041 121.223 -0.001 0.000 1.921 307 L HA -0.258 4.082 4.340 0.000 0.000 0.219 307 L C 2.730 179.602 176.870 0.002 0.000 1.081 307 L CA 2.365 57.206 54.840 0.002 0.000 0.771 307 L CB -0.682 41.379 42.059 0.003 0.000 0.888 307 L HN 0.529 nan 8.230 nan 0.000 0.433 308 S N -0.859 114.840 115.700 -0.001 0.000 2.428 308 S HA -0.250 4.220 4.470 0.000 0.000 0.240 308 S C 1.335 175.935 174.600 -0.001 0.000 1.036 308 S CA 1.126 59.325 58.200 -0.002 0.000 1.009 308 S CB -0.586 62.609 63.200 -0.008 0.000 0.803 308 S HN 0.570 nan 8.310 nan 0.000 0.486 309 Q N 1.481 121.281 119.800 -0.001 0.000 2.894 309 Q HA 0.424 4.764 4.340 0.000 0.000 0.358 309 Q C 1.490 177.491 176.000 0.001 0.000 1.155 309 Q CA 0.398 56.201 55.803 -0.000 0.000 0.960 309 Q CB -0.619 28.118 28.738 -0.001 0.000 1.428 309 Q HN 0.647 nan 8.270 nan 0.000 0.437 310 G N 0.817 109.619 108.800 0.003 0.000 3.639 310 G HA2 -0.361 3.599 3.960 0.000 0.000 0.224 310 G HA3 -0.361 3.599 3.960 0.000 0.000 0.224 310 G C 0.698 175.601 174.900 0.004 0.000 1.339 310 G CA 0.129 45.232 45.100 0.004 0.000 0.933 310 G HN 0.435 nan 8.290 nan 0.000 0.568 311 Q N 2.758 122.560 119.800 0.003 0.000 2.636 311 Q HA 0.466 4.806 4.340 0.000 0.000 0.214 311 Q C 0.921 176.924 176.000 0.004 0.000 1.297 311 Q CA 0.748 56.553 55.803 0.003 0.000 0.871 311 Q CB -0.999 27.741 28.738 0.002 0.000 1.690 311 Q HN 1.151 nan 8.270 nan 0.000 0.527 312 A N 2.760 125.584 122.820 0.006 0.000 2.537 312 A HA 0.158 4.479 4.320 0.000 0.000 0.260 312 A C 1.080 178.669 177.584 0.007 0.000 1.082 312 A CA -0.125 51.917 52.037 0.008 0.000 0.765 312 A CB 0.286 19.292 19.000 0.008 0.000 1.019 312 A HN 0.479 nan 8.150 nan 0.000 0.507 313 V N 2.889 122.808 119.914 0.008 0.000 2.423 313 V HA 0.119 4.239 4.120 0.000 0.000 0.233 313 V C 0.755 176.856 176.094 0.011 0.000 1.067 313 V CA 1.052 63.357 62.300 0.008 0.000 1.073 313 V CB -1.349 30.478 31.823 0.006 0.000 0.715 313 V HN 1.055 nan 8.190 nan 0.000 0.485 314 K N -1.113 119.296 120.400 0.015 0.000 3.761 314 K HA 0.072 4.392 4.320 0.000 0.000 0.608 314 K C 0.335 176.945 176.600 0.018 0.000 2.573 314 K CA 0.240 56.538 56.287 0.019 0.000 1.978 314 K CB -1.483 31.026 32.500 0.016 0.000 2.706 314 K HN 1.319 nan 8.250 nan 0.000 0.171 315 G N 0.916 109.729 108.800 0.020 0.000 2.527 315 G HA2 -0.207 3.753 3.960 0.000 0.000 0.227 315 G HA3 -0.207 3.753 3.960 0.000 0.000 0.227 315 G C -1.206 173.707 174.900 0.021 0.000 1.291 315 G CA 0.342 45.452 45.100 0.017 0.000 0.904 315 G HN 1.333 nan 8.290 nan 0.000 0.577 316 N N 0.404 119.114 118.700 0.017 0.000 2.296 316 N HA 0.559 5.299 4.740 0.000 0.000 0.294 316 N C -0.495 175.021 175.510 0.011 0.000 1.033 316 N CA 0.070 53.130 53.050 0.017 0.000 0.839 316 N CB 1.513 40.012 38.487 0.020 0.000 1.395 316 N HN 0.978 nan 8.380 nan 0.000 0.479 317 Q N 2.346 122.146 119.800 -0.000 0.000 2.330 317 Q HA 0.511 4.851 4.340 0.000 0.000 0.269 317 Q C -1.307 174.676 176.000 -0.029 0.000 1.022 317 Q CA -0.993 54.803 55.803 -0.011 0.000 0.796 317 Q CB 1.740 30.467 28.738 -0.018 0.000 1.271 317 Q HN 0.412 nan 8.270 nan 0.000 0.450 318 L N 2.988 124.204 121.223 -0.012 0.000 2.292 318 L HA 0.339 4.679 4.340 0.000 0.000 0.284 318 L C -0.587 176.263 176.870 -0.033 0.000 1.065 318 L CA -0.299 54.535 54.840 -0.011 0.000 0.806 318 L CB 0.914 42.995 42.059 0.036 0.000 1.175 318 L HN 0.615 nan 8.230 nan 0.000 0.431 319 L N 5.859 127.028 121.223 -0.091 0.000 2.343 319 L HA 0.622 4.962 4.340 0.000 0.000 0.275 319 L C -2.009 174.945 176.870 0.141 0.000 1.056 319 L CA -1.461 53.340 54.840 -0.066 0.000 0.804 319 L CB 0.953 42.773 42.059 -0.398 0.000 1.203 319 L HN 0.446 nan 8.230 nan 0.000 0.440 320 P HA 0.430 nan 4.420 nan 0.000 0.278 320 P C -1.048 176.362 177.300 0.183 0.000 1.258 320 P CA -0.294 62.894 63.100 0.147 0.000 0.811 320 P CB 1.927 33.672 31.700 0.076 0.000 1.063 321 V N -2.166 117.792 119.914 0.073 0.000 3.139 321 V HA 0.951 5.071 4.120 0.000 0.000 0.310 321 V C -0.273 175.774 176.094 -0.077 0.000 1.260 321 V CA -0.905 61.370 62.300 -0.042 0.000 1.064 321 V CB 1.052 32.829 31.823 -0.077 0.000 1.160 321 V HN 0.908 nan 8.190 nan 0.000 0.470 322 S N -0.036 115.580 115.700 -0.139 0.000 2.567 322 S HA 0.624 5.094 4.470 0.000 0.000 0.270 322 S C -1.662 172.839 174.600 -0.164 0.000 1.152 322 S CA -0.575 57.551 58.200 -0.122 0.000 0.835 322 S CB 1.561 64.701 63.200 -0.101 0.000 1.115 322 S HN 1.825 nan 8.310 nan 0.000 0.459 323 L N 2.854 123.991 121.223 -0.142 0.000 2.255 323 L HA 0.675 5.015 4.340 0.000 0.000 0.289 323 L C -0.963 175.814 176.870 -0.155 0.000 1.046 323 L CA -0.344 54.392 54.840 -0.174 0.000 0.816 323 L CB 0.936 42.898 42.059 -0.161 0.000 1.197 323 L HN 0.622 nan 8.230 nan 0.000 0.427 324 V N 6.167 125.979 119.914 -0.170 0.000 2.353 324 V HA 0.283 4.403 4.120 0.000 0.000 0.264 324 V C 0.502 176.510 176.094 -0.143 0.000 1.049 324 V CA -0.632 61.586 62.300 -0.136 0.000 0.896 324 V CB 0.337 32.081 31.823 -0.133 0.000 1.025 324 V HN 0.679 nan 8.190 nan 0.000 0.475 325 K N 5.340 125.675 120.400 -0.109 0.000 2.298 325 K HA 0.595 4.915 4.320 0.000 0.000 0.280 325 K C 0.119 176.687 176.600 -0.054 0.000 1.032 325 K CA -0.188 56.047 56.287 -0.086 0.000 0.958 325 K CB 1.124 33.618 32.500 -0.009 0.000 0.978 325 K HN 0.616 nan 8.250 nan 0.000 0.472 326 R N 0.914 121.389 120.500 -0.041 0.000 3.712 326 R HA 0.245 4.585 4.340 0.000 0.000 0.250 326 R C 0.269 176.571 176.300 0.003 0.000 1.123 326 R CA -0.915 55.171 56.100 -0.024 0.000 0.904 326 R CB 0.138 30.415 30.300 -0.039 0.000 1.585 326 R HN 0.200 nan 8.270 nan 0.000 0.418 327 K N 1.215 121.619 120.400 0.007 0.000 2.459 327 K HA 0.023 4.343 4.320 0.000 0.000 0.193 327 K C 1.558 178.178 176.600 0.032 0.000 1.030 327 K CA 1.267 57.567 56.287 0.022 0.000 1.026 327 K CB 0.025 32.538 32.500 0.021 0.000 0.809 327 K HN 0.696 nan 8.250 nan 0.000 0.504 328 T N -1.359 113.213 114.554 0.030 0.000 3.014 328 T HA -0.038 4.312 4.350 0.000 0.000 0.263 328 T C 1.114 175.844 174.700 0.050 0.000 1.078 328 T CA 0.280 62.401 62.100 0.036 0.000 1.135 328 T CB -0.431 68.457 68.868 0.034 0.000 0.895 328 T HN 0.164 nan 8.240 nan 0.000 0.480 329 T N 1.010 115.606 114.554 0.071 0.000 2.727 329 T HA 0.693 5.043 4.350 0.000 0.000 0.298 329 T C -0.596 174.208 174.700 0.174 0.000 0.942 329 T CA -0.840 61.353 62.100 0.154 0.000 0.997 329 T CB 0.981 70.023 68.868 0.291 0.000 0.917 329 T HN 0.187 nan 8.240 nan 0.000 0.487 330 L N 2.487 123.812 121.223 0.170 0.000 2.250 330 L HA 0.887 5.227 4.340 0.000 0.000 0.252 330 L C 0.220 177.158 176.870 0.115 0.000 1.054 330 L CA -0.875 54.035 54.840 0.117 0.000 0.856 330 L CB 1.718 43.827 42.059 0.083 0.000 1.443 330 L HN 0.887 nan 8.230 nan 0.000 0.427 331 A N 0.857 123.675 122.820 -0.004 0.000 2.346 331 A HA 0.612 4.932 4.320 0.000 0.000 0.252 331 A C -2.491 175.006 177.584 -0.144 0.000 1.089 331 A CA -1.064 50.893 52.037 -0.134 0.000 0.797 331 A CB -0.656 18.281 19.000 -0.106 0.000 1.047 331 A HN 0.484 nan 8.150 nan 0.000 0.494 332 P HA 0.090 nan 4.420 nan 0.000 0.271 332 P C 0.422 177.695 177.300 -0.044 0.000 1.218 332 P CA 0.062 63.070 63.100 -0.154 0.000 0.780 332 P CB 0.523 32.091 31.700 -0.219 0.000 0.901 333 N N 1.741 120.450 118.700 0.015 0.000 2.166 333 N HA -0.202 4.538 4.740 0.000 0.000 0.186 333 N C 1.387 176.895 175.510 -0.002 0.000 1.019 333 N CA 2.316 55.374 53.050 0.012 0.000 0.856 333 N CB -0.988 37.516 38.487 0.028 0.000 0.993 333 N HN 0.411 nan 8.380 nan 0.000 0.426 334 T N -1.864 112.688 114.554 -0.004 0.000 2.721 334 T HA -0.315 4.035 4.350 0.000 0.000 0.268 334 T C 0.806 175.495 174.700 -0.017 0.000 1.038 334 T CA 1.522 63.617 62.100 -0.008 0.000 1.145 334 T CB -0.901 67.963 68.868 -0.008 0.000 0.858 334 T HN 0.673 nan 8.240 nan 0.000 0.459 335 Q N 2.404 122.185 119.800 -0.031 0.000 2.566 335 Q HA 0.493 4.833 4.340 0.000 0.000 0.221 335 Q C 0.752 176.736 176.000 -0.026 0.000 1.195 335 Q CA 0.178 55.961 55.803 -0.033 0.000 0.967 335 Q CB 0.159 28.867 28.738 -0.049 0.000 1.337 335 Q HN 0.552 nan 8.270 nan 0.000 0.553 336 T N -1.650 112.894 114.554 -0.017 0.000 9.270 336 T HA -0.429 3.921 4.350 0.000 0.000 0.360 336 T C 1.172 175.866 174.700 -0.009 0.000 1.823 336 T CA 1.479 63.571 62.100 -0.013 0.000 2.748 336 T CB -2.130 66.729 68.868 -0.014 0.000 2.671 336 T HN 2.038 nan 8.240 nan 0.000 1.169 337 A N -0.179 122.636 122.820 -0.010 0.000 2.799 337 A HA -0.182 4.138 4.320 0.000 0.000 0.274 337 A C 1.637 179.219 177.584 -0.003 0.000 1.393 337 A CA 2.144 54.179 52.037 -0.003 0.000 0.909 337 A CB -2.388 16.614 19.000 0.002 0.000 1.012 337 A HN 1.724 nan 8.150 nan 0.000 0.653 338 S N -0.570 115.126 115.700 -0.008 0.000 2.556 338 S HA 0.166 4.636 4.470 0.000 0.000 0.216 338 S C -0.460 174.133 174.600 -0.011 0.000 0.970 338 S CA 0.226 58.421 58.200 -0.008 0.000 0.912 338 S CB -0.288 62.906 63.200 -0.010 0.000 0.790 338 S HN 0.644 nan 8.310 nan 0.000 0.504 339 P HA -0.183 nan 4.420 nan 0.000 0.219 339 P C 1.362 178.657 177.300 -0.009 0.000 1.161 339 P CA 1.752 64.842 63.100 -0.017 0.000 0.909 339 P CB 0.243 31.934 31.700 -0.014 0.000 0.793 340 R N -3.061 117.439 120.500 -0.001 0.000 4.870 340 R HA 0.453 4.793 4.340 0.000 0.000 0.117 340 R C 1.502 177.804 176.300 0.003 0.000 0.874 340 R CA 1.302 57.404 56.100 0.002 0.000 0.913 340 R CB -0.790 29.514 30.300 0.007 0.000 1.441 340 R HN -0.007 nan 8.270 nan 0.000 0.411 341 A N 1.066 123.890 122.820 0.007 0.000 4.989 341 A HA -0.427 3.893 4.320 0.000 0.000 0.363 341 A C 1.765 179.352 177.584 0.005 0.000 1.592 341 A CA 3.029 55.071 52.037 0.007 0.000 0.704 341 A CB -2.093 16.910 19.000 0.005 0.000 1.532 341 A HN 0.433 nan 8.150 nan 0.000 0.440 342 L N -1.610 119.615 121.223 0.003 0.000 2.173 342 L HA -0.375 3.965 4.340 0.000 0.000 0.239 342 L C 2.921 179.792 176.870 0.002 0.000 1.123 342 L CA 3.125 57.966 54.840 0.002 0.000 0.847 342 L CB -1.528 40.531 42.059 0.000 0.000 0.940 342 L HN 1.023 nan 8.230 nan 0.000 0.450 343 A N -0.710 122.111 122.820 0.002 0.000 1.902 343 A HA -0.219 4.101 4.320 0.000 0.000 0.217 343 A C 2.022 179.608 177.584 0.003 0.000 1.181 343 A CA 2.089 54.127 52.037 0.002 0.000 0.623 343 A CB -0.571 18.430 19.000 0.001 0.000 0.818 343 A HN 0.532 nan 8.150 nan 0.000 0.443 344 D N -0.259 120.144 120.400 0.005 0.000 2.117 344 D HA -0.066 4.574 4.640 0.000 0.000 0.198 344 D C 2.339 178.643 176.300 0.005 0.000 0.982 344 D CA 1.519 55.522 54.000 0.006 0.000 0.828 344 D CB -0.152 40.653 40.800 0.008 0.000 0.967 344 D HN 0.402 nan 8.370 nan 0.000 0.464 345 S N 1.022 116.726 115.700 0.005 0.000 2.349 345 S HA -0.099 4.371 4.470 0.000 0.000 0.216 345 S C 2.303 176.905 174.600 0.003 0.000 1.033 345 S CA 0.534 58.737 58.200 0.005 0.000 1.021 345 S CB -0.548 62.655 63.200 0.005 0.000 0.968 345 S HN 0.229 nan 8.310 nan 0.000 0.426 346 L N 0.998 122.223 121.223 0.003 0.000 2.011 346 L HA -0.309 4.031 4.340 0.000 0.000 0.225 346 L C 2.686 179.557 176.870 0.002 0.000 1.084 346 L CA 1.809 56.650 54.840 0.002 0.000 0.791 346 L CB -0.744 41.316 42.059 0.001 0.000 0.898 346 L HN 0.378 nan 8.230 nan 0.000 0.440 347 M N -0.586 119.015 119.600 0.002 0.000 2.073 347 M HA -0.266 4.214 4.480 0.000 0.000 0.258 347 M C 2.230 178.531 176.300 0.002 0.000 1.070 347 M CA 2.222 57.523 55.300 0.002 0.000 1.103 347 M CB -0.362 32.239 32.600 0.002 0.000 1.321 347 M HN 0.365 nan 8.290 nan 0.000 0.405 348 Q N -0.318 119.484 119.800 0.003 0.000 2.378 348 Q HA 0.003 4.343 4.340 0.000 0.000 0.205 348 Q C 1.579 177.581 176.000 0.003 0.000 0.954 348 Q CA 0.938 56.742 55.803 0.003 0.000 0.901 348 Q CB -0.554 28.187 28.738 0.004 0.000 0.981 348 Q HN 0.353 nan 8.270 nan 0.000 0.483 349 L N 0.585 121.809 121.223 0.002 0.000 2.109 349 L HA 0.066 4.406 4.340 0.000 0.000 0.207 349 L C 2.269 179.140 176.870 0.002 0.000 1.086 349 L CA 1.767 56.608 54.840 0.002 0.000 0.760 349 L CB -1.579 40.481 42.059 0.002 0.000 0.910 349 L HN 0.408 nan 8.230 nan 0.000 0.437 350 A N -0.058 122.763 122.820 0.001 0.000 1.948 350 A HA -0.251 4.069 4.320 0.000 0.000 0.220 350 A C 2.366 179.950 177.584 0.001 0.000 1.177 350 A CA 1.715 53.753 52.037 0.001 0.000 0.636 350 A CB -0.454 18.546 19.000 0.001 0.000 0.815 350 A HN 0.395 nan 8.150 nan 0.000 0.449 351 R N -0.749 119.752 120.500 0.001 0.000 2.148 351 R HA -0.056 4.284 4.340 0.000 0.000 0.223 351 R C 2.157 178.458 176.300 0.001 0.000 1.088 351 R CA 1.416 57.517 56.100 0.001 0.000 0.985 351 R CB -0.183 30.118 30.300 0.001 0.000 0.880 351 R HN 0.693 nan 8.270 nan 0.000 0.451 352 Q N -0.321 119.480 119.800 0.001 0.000 2.398 352 Q HA 0.041 4.381 4.340 0.000 0.000 0.204 352 Q C 1.588 177.589 176.000 0.001 0.000 0.932 352 Q CA 0.523 56.327 55.803 0.001 0.000 0.916 352 Q CB 0.599 29.338 28.738 0.002 0.000 1.024 352 Q HN 0.122 nan 8.270 nan 0.000 0.504 353 V N 0.765 120.679 119.914 0.001 0.000 3.306 353 V HA -0.057 4.063 4.120 0.000 0.000 0.264 353 V C 0.982 177.077 176.094 0.001 0.000 1.149 353 V CA 1.222 63.523 62.300 0.001 0.000 1.143 353 V CB 0.230 32.053 31.823 0.001 0.000 0.767 353 V HN 0.253 nan 8.190 nan 0.000 0.476 354 S N -0.319 115.381 115.700 0.001 0.000 2.312 354 S HA 0.509 4.979 4.470 0.000 0.000 0.211 354 S C 0.521 175.121 174.600 0.001 0.000 1.315 354 S CA -0.583 57.617 58.200 0.000 0.000 1.267 354 S CB 0.573 63.773 63.200 0.000 0.000 1.072 354 S HN 0.469 nan 8.310 nan 0.000 0.490 355 R N -0.010 120.490 120.500 0.001 0.000 2.570 355 R HA 0.199 4.539 4.340 0.000 0.000 0.203 355 R C -0.144 176.156 176.300 0.001 0.000 0.968 355 R CA 0.264 56.364 56.100 0.001 0.000 1.514 355 R CB 0.112 30.413 30.300 0.001 0.000 1.719 355 R HN 0.459 nan 8.270 nan 0.000 0.503 356 L N 0.366 121.589 121.223 0.001 0.000 2.808 356 L HA 0.434 4.774 4.340 0.000 0.000 0.246 356 L C 0.021 176.891 176.870 0.000 0.000 1.153 356 L CA -0.069 54.771 54.840 0.001 0.000 0.956 356 L CB -0.211 41.848 42.059 0.001 0.000 1.270 356 L HN 0.107 nan 8.230 nan 0.000 0.528 357 E N 0.000 120.200 120.200 0.000 0.000 2.725 357 E HA 0.000 4.350 4.350 0.000 0.000 0.291 357 E CA 0.000 56.400 56.400 0.000 0.000 0.976 357 E CB 0.000 29.700 29.700 0.000 0.000 0.812 357 E HN 0.000 nan 8.360 nan 0.000 0.440