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 2ve7_1_B DATA FIRST_RESID 79 DATA SEQUENCE MIKDPRPLND KAFIQQCIRQ LCEFLTENGY AHNVSMKSLQ APSVKDFLKI DATA SEQUENCE FTFLYGFLCP SYELPDTKFE EEVPRIFKDL GYPFALSKSS MYTVGAPHTW DATA SEQUENCE PHIVAALVWL IDCIKIHTAM KESSXXXXXX XXWGEETEDG IMHNKLFLDY DATA SEQUENCE TIKCYESFMS GADSFDEMNA ELQSKLKDLF NVDAFKLESL EAKNRALNEQ DATA SEQUENCE IARLEQERXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXS TANKANAERL DATA SEQUENCE KRLQKSADLY KDRLGLEIRK IYGEKLQFIF TNIDPKNPES PFMFSLHLNE DATA SEQUENCE ARDYEVSDSA XXXXGLAEFQ ENVRKTNNFS AFLANVRKAF TATVYQ 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 79 M HA 0.000 nan 4.480 nan 0.000 0.227 79 M C 0.000 176.166 176.300 -0.224 0.000 1.140 79 M CA 0.000 55.148 55.300 -0.253 0.000 0.988 79 M CB 0.000 32.479 32.600 -0.201 0.000 1.302 80 I N 1.481 122.025 120.570 -0.043 0.000 3.325 80 I HA 0.132 4.301 4.170 -0.001 0.000 0.237 80 I C 0.143 176.340 176.117 0.133 0.000 1.068 80 I CA 0.397 61.702 61.300 0.008 0.000 1.511 80 I CB 0.462 38.459 38.000 -0.006 0.000 1.409 80 I HN 0.008 nan 8.210 nan 0.000 0.464 81 K N 2.024 122.486 120.400 0.102 0.000 2.227 81 K HA 0.179 4.499 4.320 -0.001 0.000 0.280 81 K C -0.806 175.865 176.600 0.119 0.000 1.041 81 K CA -0.610 55.728 56.287 0.086 0.000 0.905 81 K CB 1.050 33.560 32.500 0.018 0.000 1.068 81 K HN 0.069 nan 8.250 nan 0.000 0.470 82 D N 4.096 124.500 120.400 0.006 0.000 2.472 82 D HA 0.014 4.654 4.640 -0.001 0.000 0.248 82 D C -1.395 174.844 176.300 -0.100 0.000 1.174 82 D CA -1.560 52.334 54.000 -0.176 0.000 0.883 82 D CB 1.158 41.577 40.800 -0.635 0.000 1.149 82 D HN 0.402 nan 8.370 nan 0.000 0.488 83 P HA 0.054 nan 4.420 nan 0.000 0.236 83 P C -0.069 177.131 177.300 -0.167 0.000 1.177 83 P CA 0.346 63.408 63.100 -0.064 0.000 0.773 83 P CB 0.386 32.084 31.700 -0.002 0.000 0.878 84 R N 1.031 121.388 120.500 -0.238 0.000 2.410 84 R HA 0.288 4.628 4.340 -0.001 0.000 0.288 84 R C -2.089 173.884 176.300 -0.545 0.000 1.051 84 R CA -1.777 54.039 56.100 -0.472 0.000 1.021 84 R CB -0.151 29.929 30.300 -0.366 0.000 1.032 84 R HN -0.069 nan 8.270 nan 0.000 0.481 85 P HA 0.053 nan 4.420 nan 0.000 0.232 85 P C 0.336 177.440 177.300 -0.327 0.000 1.738 85 P CA 0.180 62.986 63.100 -0.490 0.000 0.948 85 P CB -0.026 31.409 31.700 -0.442 0.000 1.943 86 L N 0.181 121.249 121.223 -0.259 0.000 2.261 86 L HA -0.183 4.157 4.340 -0.001 0.000 0.216 86 L C 1.464 178.259 176.870 -0.126 0.000 1.114 86 L CA 1.243 56.000 54.840 -0.139 0.000 0.777 86 L CB -0.639 41.236 42.059 -0.305 0.000 0.910 86 L HN 0.319 nan 8.230 nan 0.000 0.440 87 N N -2.089 116.536 118.700 -0.126 0.000 2.238 87 N HA -0.000 4.739 4.740 -0.001 0.000 0.222 87 N C -0.181 175.298 175.510 -0.051 0.000 1.133 87 N CA -0.180 52.809 53.050 -0.102 0.000 0.854 87 N CB -0.141 38.271 38.487 -0.125 0.000 1.041 87 N HN 0.064 nan 8.380 nan 0.000 0.510 88 D N 1.270 121.661 120.400 -0.015 0.000 2.274 88 D HA 0.174 4.813 4.640 -0.001 0.000 0.239 88 D C 0.863 177.201 176.300 0.063 0.000 1.104 88 D CA -0.282 53.732 54.000 0.022 0.000 0.840 88 D CB 1.331 42.148 40.800 0.029 0.000 1.100 88 D HN -0.170 nan 8.370 nan 0.000 0.477 89 K N 2.909 123.333 120.400 0.040 0.000 2.044 89 K HA -0.188 4.131 4.320 -0.001 0.000 0.210 89 K C 1.702 178.333 176.600 0.051 0.000 1.049 89 K CA 1.431 57.743 56.287 0.042 0.000 0.927 89 K CB -0.529 31.992 32.500 0.035 0.000 0.713 89 K HN 0.534 nan 8.250 nan 0.000 0.443 90 A N 1.004 123.860 122.820 0.060 0.000 1.908 90 A HA -0.188 4.132 4.320 -0.001 0.000 0.218 90 A C 2.102 179.731 177.584 0.075 0.000 1.181 90 A CA 1.486 53.559 52.037 0.060 0.000 0.627 90 A CB -0.722 18.317 19.000 0.065 0.000 0.818 90 A HN 0.338 nan 8.150 nan 0.000 0.445 91 F N 0.354 120.287 119.950 -0.028 0.000 2.186 91 F HA -0.091 4.436 4.527 0.000 0.000 0.299 91 F C 1.868 177.638 175.800 -0.051 0.000 1.090 91 F CA 1.177 59.154 58.000 -0.037 0.000 1.307 91 F CB 0.001 38.971 39.000 -0.050 0.000 1.019 91 F HN 0.123 nan 8.300 nan 0.000 0.489 92 I N 0.326 120.870 120.570 -0.043 0.000 2.394 92 I HA -0.212 3.958 4.170 -0.001 0.000 0.251 92 I C 2.231 178.260 176.117 -0.148 0.000 1.136 92 I CA 1.064 62.272 61.300 -0.153 0.000 1.425 92 I CB -1.391 36.575 38.000 -0.057 0.000 1.079 92 I HN 0.257 nan 8.210 nan 0.000 0.425 93 Q N 0.192 119.951 119.800 -0.068 0.000 2.119 93 Q HA -0.207 4.133 4.340 -0.001 0.000 0.201 93 Q C 2.129 178.083 176.000 -0.077 0.000 0.972 93 Q CA 1.173 56.956 55.803 -0.033 0.000 0.847 93 Q CB -0.279 28.462 28.738 0.006 0.000 0.903 93 Q HN 0.589 nan 8.270 nan 0.000 0.433 94 Q N -0.396 119.319 119.800 -0.143 0.000 2.084 94 Q HA -0.150 4.189 4.340 -0.001 0.000 0.202 94 Q C 2.224 178.086 176.000 -0.230 0.000 0.978 94 Q CA 1.519 57.220 55.803 -0.170 0.000 0.844 94 Q CB 0.058 28.674 28.738 -0.203 0.000 0.898 94 Q HN 0.400 nan 8.270 nan 0.000 0.426 95 C N 0.110 119.181 119.300 -0.382 0.000 2.413 95 C HA -0.158 4.302 4.460 -0.001 0.000 0.277 95 C C 2.527 177.415 174.990 -0.169 0.000 1.228 95 C CA 0.614 59.426 59.018 -0.343 0.000 1.731 95 C CB -1.012 26.451 27.740 -0.461 0.000 2.042 95 C HN 0.556 nan 8.230 nan 0.000 0.468 96 I N 0.635 121.141 120.570 -0.106 0.000 2.163 96 I HA -0.240 3.930 4.170 -0.001 0.000 0.243 96 I C 2.784 178.926 176.117 0.042 0.000 1.085 96 I CA 1.675 62.996 61.300 0.035 0.000 1.347 96 I CB -0.507 37.571 38.000 0.130 0.000 1.044 96 I HN 0.268 nan 8.210 nan 0.000 0.408 97 R N 1.112 121.618 120.500 0.009 0.000 2.096 97 R HA -0.228 4.112 4.340 -0.001 0.000 0.240 97 R C 2.245 178.561 176.300 0.026 0.000 1.139 97 R CA 1.818 57.930 56.100 0.019 0.000 0.952 97 R CB -0.351 29.949 30.300 0.000 0.000 0.854 97 R HN 0.410 nan 8.270 nan 0.000 0.436 98 Q N -0.468 119.330 119.800 -0.004 0.000 2.084 98 Q HA -0.161 4.179 4.340 -0.001 0.000 0.202 98 Q C 2.066 178.105 176.000 0.065 0.000 0.978 98 Q CA 1.533 57.345 55.803 0.015 0.000 0.844 98 Q CB -0.236 28.480 28.738 -0.036 0.000 0.898 98 Q HN 0.279 nan 8.270 nan 0.000 0.426 99 L N 0.284 121.536 121.223 0.049 0.000 2.017 99 L HA -0.182 4.158 4.340 -0.001 0.000 0.208 99 L C 2.370 179.320 176.870 0.133 0.000 1.073 99 L CA 1.686 56.583 54.840 0.095 0.000 0.745 99 L CB -0.892 41.226 42.059 0.098 0.000 0.894 99 L HN 0.336 nan 8.230 nan 0.000 0.432 100 C N -0.072 119.293 119.300 0.108 0.000 2.413 100 C HA -0.198 4.261 4.460 -0.001 0.000 0.278 100 C C 2.696 177.745 174.990 0.098 0.000 1.224 100 C CA 1.412 60.488 59.018 0.098 0.000 1.732 100 C CB -0.802 26.988 27.740 0.085 0.000 2.050 100 C HN 0.678 nan 8.230 nan 0.000 0.463 101 E N -0.847 119.410 120.200 0.095 0.000 2.065 101 E HA -0.274 4.076 4.350 -0.001 0.000 0.201 101 E C 1.845 178.510 176.600 0.109 0.000 1.016 101 E CA 2.065 58.517 56.400 0.088 0.000 0.818 101 E CB -0.426 29.322 29.700 0.079 0.000 0.749 101 E HN 0.764 nan 8.360 nan 0.000 0.453 102 F N 0.934 120.893 119.950 0.014 0.000 2.069 102 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 102 F C 1.888 177.735 175.800 0.078 0.000 1.113 102 F CA 1.384 59.393 58.000 0.016 0.000 1.214 102 F CB -0.161 38.822 39.000 -0.029 0.000 0.978 102 F HN -0.047 nan 8.300 nan 0.000 0.474 103 L N -0.558 120.791 121.223 0.210 0.000 1.989 103 L HA -0.293 4.047 4.340 -0.001 0.000 0.211 103 L C 2.373 179.278 176.870 0.058 0.000 1.071 103 L CA 2.051 56.950 54.840 0.099 0.000 0.749 103 L CB -1.353 40.657 42.059 -0.082 0.000 0.890 103 L HN 0.143 nan 8.230 nan 0.000 0.431 104 T N -0.883 113.702 114.554 0.051 0.000 2.788 104 T HA -0.194 4.156 4.350 -0.001 0.000 0.268 104 T C 1.630 176.335 174.700 0.009 0.000 1.044 104 T CA 1.383 63.507 62.100 0.039 0.000 1.139 104 T CB -0.186 68.707 68.868 0.040 0.000 0.867 104 T HN 0.399 nan 8.240 nan 0.000 0.454 105 E N 0.626 120.808 120.200 -0.031 0.000 2.481 105 E HA 0.059 4.409 4.350 -0.001 0.000 0.195 105 E C 0.753 177.303 176.600 -0.085 0.000 1.047 105 E CA 0.305 56.669 56.400 -0.059 0.000 0.867 105 E CB 0.066 29.721 29.700 -0.076 0.000 0.858 105 E HN 0.445 nan 8.360 nan 0.000 0.513 106 N N -0.657 118.000 118.700 -0.072 0.000 2.282 106 N HA 0.137 4.877 4.740 -0.001 0.000 0.240 106 N C 0.124 175.793 175.510 0.265 0.000 1.182 106 N CA 0.299 53.383 53.050 0.056 0.000 0.874 106 N CB 1.749 40.196 38.487 -0.067 0.000 1.126 106 N HN 0.115 nan 8.380 nan 0.000 0.516 107 G N 0.845 109.723 108.800 0.129 0.000 2.198 107 G HA2 -0.363 3.597 3.960 -0.001 0.000 0.260 107 G HA3 -0.363 3.597 3.960 -0.001 0.000 0.260 107 G C -0.229 174.676 174.900 0.009 0.000 1.025 107 G CA -0.183 44.965 45.100 0.081 0.000 0.769 107 G HN 0.490 nan 8.290 nan 0.000 0.507 108 Y N 0.629 120.760 120.300 -0.281 0.000 2.805 108 Y HA 0.261 4.811 4.550 -0.000 0.000 0.331 108 Y C 1.588 177.226 175.900 -0.437 0.000 1.241 108 Y CA 0.594 58.254 58.100 -0.734 0.000 1.546 108 Y CB 0.540 38.526 38.460 -0.790 0.000 1.248 108 Y HN 0.397 nan 8.280 nan 0.000 0.559 109 A N 5.618 127.828 122.820 -1.017 0.000 2.015 109 A HA -0.092 4.228 4.320 -0.001 0.000 0.219 109 A C 0.487 177.573 177.584 -0.829 0.000 1.163 109 A CA 0.979 52.511 52.037 -0.841 0.000 0.646 109 A CB -0.609 17.875 19.000 -0.859 0.000 0.806 109 A HN 0.803 nan 8.150 nan 0.000 0.448 110 H N 0.468 119.124 119.070 -0.689 0.000 2.479 110 H HA 0.244 4.799 4.556 -0.001 0.000 0.335 110 H C -0.637 174.645 175.328 -0.076 0.000 1.142 110 H CA -1.091 54.766 56.048 -0.319 0.000 1.234 110 H CB 0.454 30.052 29.762 -0.273 0.000 1.503 110 H HN 0.278 nan 8.280 nan 0.000 0.510 111 N N 1.835 120.596 118.700 0.102 0.000 2.483 111 N HA 0.134 4.874 4.740 -0.001 0.000 0.264 111 N C 0.242 175.840 175.510 0.145 0.000 1.197 111 N CA 0.043 53.151 53.050 0.097 0.000 0.927 111 N CB 1.381 39.903 38.487 0.058 0.000 1.065 111 N HN 0.385 nan 8.380 nan 0.000 0.461 112 V N -1.431 118.566 119.914 0.137 0.000 2.962 112 V HA 0.902 5.021 4.120 -0.001 0.000 0.313 112 V C -0.184 175.961 176.094 0.085 0.000 1.099 112 V CA -0.943 61.433 62.300 0.126 0.000 0.971 112 V CB 1.827 33.736 31.823 0.143 0.000 1.028 112 V HN 0.800 nan 8.190 nan 0.000 0.430 113 S N 3.020 118.764 115.700 0.074 0.000 2.596 113 S HA 0.555 5.025 4.470 -0.001 0.000 0.270 113 S C 0.534 175.174 174.600 0.066 0.000 1.155 113 S CA -0.887 57.349 58.200 0.061 0.000 0.827 113 S CB 1.698 64.926 63.200 0.047 0.000 1.130 113 S HN 0.668 nan 8.310 nan 0.000 0.467 114 M N 1.341 120.978 119.600 0.061 0.000 2.144 114 M HA -0.112 4.367 4.480 -0.001 0.000 0.260 114 M C 2.005 178.343 176.300 0.063 0.000 1.067 114 M CA 1.937 57.278 55.300 0.068 0.000 1.095 114 M CB -1.526 31.107 32.600 0.055 0.000 1.365 114 M HN 0.945 nan 8.290 nan 0.000 0.406 115 K N 0.426 120.853 120.400 0.045 0.000 2.001 115 K HA -0.136 4.184 4.320 -0.001 0.000 0.208 115 K C 2.030 178.641 176.600 0.019 0.000 1.048 115 K CA 1.995 58.300 56.287 0.031 0.000 0.932 115 K CB -0.110 32.404 32.500 0.023 0.000 0.715 115 K HN 0.370 nan 8.250 nan 0.000 0.437 116 S N 0.457 116.170 115.700 0.022 0.000 2.500 116 S HA -0.076 4.393 4.470 -0.001 0.000 0.239 116 S C 1.506 176.095 174.600 -0.019 0.000 0.989 116 S CA 0.760 58.964 58.200 0.005 0.000 0.951 116 S CB -0.269 62.947 63.200 0.026 0.000 0.759 116 S HN 0.362 nan 8.310 nan 0.000 0.523 117 L N 0.487 121.721 121.223 0.017 0.000 2.769 117 L HA 0.293 4.633 4.340 -0.001 0.000 0.240 117 L C 2.055 178.921 176.870 -0.005 0.000 1.163 117 L CA -0.229 54.627 54.840 0.026 0.000 0.962 117 L CB -0.035 42.146 42.059 0.202 0.000 1.258 117 L HN 0.189 nan 8.230 nan 0.000 0.513 118 Q N 1.062 120.829 119.800 -0.055 0.000 2.187 118 Q HA 0.103 4.443 4.340 -0.001 0.000 0.199 118 Q C 0.975 176.786 176.000 -0.315 0.000 0.957 118 Q CA 0.928 56.714 55.803 -0.028 0.000 0.857 118 Q CB 0.419 29.164 28.738 0.012 0.000 0.929 118 Q HN 0.409 nan 8.270 nan 0.000 0.453 119 A N 1.824 124.375 122.820 -0.448 0.000 3.422 119 A HA 0.358 4.677 4.320 -0.001 0.000 0.271 119 A C -2.494 174.814 177.584 -0.459 0.000 1.104 119 A CA -1.028 50.712 52.037 -0.494 0.000 0.899 119 A CB 0.326 19.196 19.000 -0.216 0.000 1.309 119 A HN -0.053 nan 8.150 nan 0.000 0.580 120 P HA 0.232 nan 4.420 nan 0.000 0.269 120 P C 0.527 177.693 177.300 -0.223 0.000 1.215 120 P CA 0.338 63.210 63.100 -0.380 0.000 0.780 120 P CB 0.901 32.353 31.700 -0.413 0.000 0.898 121 S N 0.357 115.994 115.700 -0.106 0.000 2.593 121 S HA 0.084 4.554 4.470 -0.001 0.000 0.269 121 S C 1.457 176.061 174.600 0.006 0.000 1.334 121 S CA -0.701 57.471 58.200 -0.048 0.000 1.015 121 S CB 0.307 63.489 63.200 -0.031 0.000 0.912 121 S HN 0.216 nan 8.310 nan 0.000 0.541 122 V N 2.117 122.045 119.914 0.024 0.000 2.332 122 V HA -0.196 3.924 4.120 -0.001 0.000 0.248 122 V C 2.761 178.873 176.094 0.030 0.000 1.055 122 V CA 2.356 64.688 62.300 0.053 0.000 1.038 122 V CB -0.987 30.855 31.823 0.032 0.000 0.651 122 V HN 1.016 nan 8.190 nan 0.000 0.450 123 K N -0.360 120.034 120.400 -0.011 0.000 2.063 123 K HA -0.247 4.073 4.320 -0.001 0.000 0.208 123 K C 1.862 178.469 176.600 0.011 0.000 1.048 123 K CA 2.047 58.318 56.287 -0.027 0.000 0.928 123 K CB -0.203 32.279 32.500 -0.031 0.000 0.713 123 K HN 0.465 nan 8.250 nan 0.000 0.442 124 D N 0.051 120.474 120.400 0.037 0.000 2.084 124 D HA -0.165 4.474 4.640 -0.001 0.000 0.196 124 D C 1.611 178.006 176.300 0.158 0.000 0.985 124 D CA 0.904 54.947 54.000 0.073 0.000 0.826 124 D CB -0.424 40.402 40.800 0.044 0.000 0.978 124 D HN 0.177 nan 8.370 nan 0.000 0.456 125 F N 1.525 121.502 119.950 0.046 0.000 2.087 125 F HA -0.215 4.311 4.527 -0.001 0.000 0.299 125 F C 2.024 177.942 175.800 0.197 0.000 1.100 125 F CA 1.378 59.457 58.000 0.133 0.000 1.226 125 F CB -0.432 38.635 39.000 0.111 0.000 0.983 125 F HN -0.072 nan 8.300 nan 0.000 0.479 126 L N -0.014 121.192 121.223 -0.030 0.000 2.141 126 L HA -0.197 4.142 4.340 -0.001 0.000 0.209 126 L C 2.458 179.377 176.870 0.082 0.000 1.094 126 L CA 1.372 56.166 54.840 -0.077 0.000 0.763 126 L CB -0.690 41.318 42.059 -0.085 0.000 0.908 126 L HN 0.119 nan 8.230 nan 0.000 0.437 127 K N 0.259 120.734 120.400 0.125 0.000 2.057 127 K HA -0.103 4.217 4.320 -0.001 0.000 0.206 127 K C 2.084 178.910 176.600 0.376 0.000 1.050 127 K CA 1.208 57.651 56.287 0.260 0.000 0.935 127 K CB -0.121 32.531 32.500 0.254 0.000 0.715 127 K HN 0.247 nan 8.250 nan 0.000 0.439 128 I N 0.406 121.121 120.570 0.241 0.000 2.252 128 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 128 I C 2.276 178.502 176.117 0.183 0.000 1.102 128 I CA 0.990 62.371 61.300 0.135 0.000 1.385 128 I CB -0.167 37.876 38.000 0.070 0.000 1.064 128 I HN 0.047 nan 8.210 nan 0.000 0.414 129 F N 1.539 121.420 119.950 -0.116 0.000 2.102 129 F HA -0.233 4.293 4.527 -0.001 0.000 0.298 129 F C 2.506 178.385 175.800 0.131 0.000 1.105 129 F CA 1.972 59.903 58.000 -0.115 0.000 1.239 129 F CB -0.701 38.029 39.000 -0.451 0.000 0.991 129 F HN -0.082 nan 8.300 nan 0.000 0.474 130 T N 0.878 115.523 114.554 0.153 0.000 2.759 130 T HA -0.225 4.125 4.350 -0.001 0.000 0.269 130 T C 1.659 176.503 174.700 0.240 0.000 1.042 130 T CA 1.673 63.905 62.100 0.219 0.000 1.140 130 T CB -0.769 68.286 68.868 0.312 0.000 0.864 130 T HN 0.383 nan 8.240 nan 0.000 0.455 131 F N 1.742 121.805 119.950 0.189 0.000 2.075 131 F HA -0.004 4.523 4.527 -0.001 0.000 0.297 131 F C 1.931 177.919 175.800 0.313 0.000 1.113 131 F CA 1.122 59.289 58.000 0.279 0.000 1.218 131 F CB -0.561 38.703 39.000 0.441 0.000 0.984 131 F HN 0.039 nan 8.300 nan 0.000 0.472 132 L N -1.096 120.257 121.223 0.217 0.000 2.017 132 L HA -0.265 4.074 4.340 -0.001 0.000 0.208 132 L C 2.383 179.259 176.870 0.010 0.000 1.073 132 L CA 1.603 56.493 54.840 0.083 0.000 0.745 132 L CB -1.105 40.951 42.059 -0.004 0.000 0.894 132 L HN 0.215 nan 8.230 nan 0.000 0.432 133 Y N 1.140 121.206 120.300 -0.389 0.000 2.352 133 Y HA -0.083 4.467 4.550 -0.001 0.000 0.292 133 Y C 2.262 177.987 175.900 -0.292 0.000 1.136 133 Y CA 0.826 58.617 58.100 -0.515 0.000 1.227 133 Y CB -0.655 37.199 38.460 -1.010 0.000 0.991 133 Y HN 0.061 nan 8.280 nan 0.000 0.545 134 G N -1.220 107.471 108.800 -0.181 0.000 2.498 134 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.219 134 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.219 134 G C 1.432 176.152 174.900 -0.300 0.000 1.119 134 G CA 0.460 45.425 45.100 -0.225 0.000 0.766 134 G HN 0.438 nan 8.290 nan 0.000 0.552 135 F N -0.012 119.757 119.950 -0.302 0.000 2.451 135 F HA 0.183 4.710 4.527 -0.000 0.000 0.299 135 F C 2.263 177.943 175.800 -0.200 0.000 1.101 135 F CA 0.627 58.498 58.000 -0.216 0.000 1.436 135 F CB 0.153 39.063 39.000 -0.150 0.000 1.074 135 F HN 0.086 nan 8.300 nan 0.000 0.553 136 L N -2.356 118.760 121.223 -0.178 0.000 2.467 136 L HA 0.114 4.454 4.340 -0.001 0.000 0.213 136 L C 0.241 176.882 176.870 -0.383 0.000 1.053 136 L CA 0.191 54.863 54.840 -0.280 0.000 0.847 136 L CB 0.237 42.075 42.059 -0.369 0.000 1.075 136 L HN -0.113 nan 8.230 nan 0.000 0.479 137 C N 1.536 120.480 119.300 -0.592 0.000 2.317 137 C HA 0.399 4.859 4.460 -0.001 0.000 0.306 137 C C -2.206 172.636 174.990 -0.247 0.000 1.087 137 C CA -1.676 57.075 59.018 -0.446 0.000 1.529 137 C CB 0.022 27.371 27.740 -0.651 0.000 1.880 137 C HN 0.034 nan 8.230 nan 0.000 0.417 138 P HA 0.014 nan 4.420 nan 0.000 0.263 138 P C 0.710 177.972 177.300 -0.064 0.000 1.175 138 P CA 1.329 64.352 63.100 -0.128 0.000 0.761 138 P CB 0.508 32.147 31.700 -0.101 0.000 0.794 139 S N 1.532 117.197 115.700 -0.058 0.000 3.561 139 S HA -0.257 4.213 4.470 -0.001 0.000 0.318 139 S C -0.010 174.605 174.600 0.025 0.000 1.181 139 S CA 0.262 58.450 58.200 -0.021 0.000 0.916 139 S CB -2.253 60.931 63.200 -0.027 0.000 0.966 139 S HN 0.522 nan 8.310 nan 0.000 0.550 140 Y N 2.888 123.140 120.300 -0.080 0.000 2.377 140 Y HA 0.512 5.062 4.550 -0.000 0.000 0.330 140 Y C 0.094 176.016 175.900 0.036 0.000 1.108 140 Y CA 0.329 58.410 58.100 -0.032 0.000 1.308 140 Y CB 0.582 38.988 38.460 -0.090 0.000 1.216 140 Y HN 0.527 nan 8.280 nan 0.000 0.518 141 E N 6.879 126.644 120.200 -0.725 0.000 2.266 141 E HA 0.409 4.759 4.350 -0.001 0.000 0.268 141 E C -1.298 174.731 176.600 -0.952 0.000 0.879 141 E CA -1.098 54.931 56.400 -0.619 0.000 0.762 141 E CB 2.087 31.649 29.700 -0.232 0.000 1.199 141 E HN 0.795 nan 8.360 nan 0.000 0.422 142 L N -0.174 120.751 121.223 -0.497 0.000 2.380 142 L HA 0.512 4.852 4.340 -0.001 0.000 0.273 142 L C -2.233 174.615 176.870 -0.036 0.000 1.138 142 L CA -1.956 52.809 54.840 -0.125 0.000 0.832 142 L CB -0.472 41.741 42.059 0.257 0.000 1.124 142 L HN 0.321 nan 8.230 nan 0.000 0.454 143 P HA -0.039 nan 4.420 nan 0.000 0.266 143 P C -0.048 177.299 177.300 0.078 0.000 1.186 143 P CA 0.067 63.200 63.100 0.055 0.000 0.767 143 P CB 0.427 32.181 31.700 0.090 0.000 0.820 144 D N -0.115 120.321 120.400 0.061 0.000 2.309 144 D HA -0.087 4.553 4.640 -0.001 0.000 0.212 144 D C 0.355 176.717 176.300 0.105 0.000 0.968 144 D CA 1.041 55.084 54.000 0.071 0.000 0.882 144 D CB -0.551 40.279 40.800 0.049 0.000 0.918 144 D HN 0.446 nan 8.370 nan 0.000 0.503 145 T N -4.294 110.327 114.554 0.112 0.000 2.901 145 T HA 0.530 4.879 4.350 -0.001 0.000 0.293 145 T C -0.353 174.428 174.700 0.135 0.000 1.084 145 T CA -1.117 61.064 62.100 0.135 0.000 1.008 145 T CB 2.136 71.064 68.868 0.100 0.000 1.170 145 T HN 0.003 nan 8.240 nan 0.000 0.509 146 K N 0.424 120.897 120.400 0.122 0.000 3.239 146 K HA -0.157 4.162 4.320 -0.001 0.000 0.270 146 K C 0.325 176.939 176.600 0.023 0.000 1.083 146 K CA 0.608 56.912 56.287 0.030 0.000 0.782 146 K CB -1.894 30.622 32.500 0.027 0.000 1.290 146 K HN 0.748 nan 8.250 nan 0.000 0.474 147 F N -0.266 119.696 119.950 0.020 0.000 2.259 147 F HA -0.031 4.496 4.527 -0.001 0.000 0.298 147 F C 1.626 177.392 175.800 -0.057 0.000 1.088 147 F CA 0.933 58.939 58.000 0.010 0.000 1.358 147 F CB -0.097 38.926 39.000 0.039 0.000 1.040 147 F HN 0.044 nan 8.300 nan 0.000 0.505 148 E N 0.899 120.425 120.200 -1.123 0.000 2.268 148 E HA -0.126 4.223 4.350 -0.001 0.000 0.195 148 E C 1.677 178.029 176.600 -0.414 0.000 0.995 148 E CA 1.525 57.336 56.400 -0.983 0.000 0.836 148 E CB -0.475 28.502 29.700 -1.205 0.000 0.763 148 E HN 0.663 nan 8.360 nan 0.000 0.491 149 E N 0.221 120.267 120.200 -0.257 0.000 2.099 149 E HA -0.044 4.306 4.350 -0.001 0.000 0.191 149 E C 1.845 178.418 176.600 -0.045 0.000 0.962 149 E CA 0.239 56.571 56.400 -0.114 0.000 0.826 149 E CB 0.125 29.786 29.700 -0.066 0.000 0.788 149 E HN 0.084 nan 8.360 nan 0.000 0.461 150 E N 0.802 121.000 120.200 -0.004 0.000 2.017 150 E HA -0.150 4.199 4.350 -0.001 0.000 0.193 150 E C 2.307 178.930 176.600 0.039 0.000 0.997 150 E CA 0.825 57.263 56.400 0.063 0.000 0.804 150 E CB -0.303 29.485 29.700 0.146 0.000 0.757 150 E HN 0.043 nan 8.360 nan 0.000 0.448 151 V N 1.603 121.515 119.914 -0.002 0.000 2.252 151 V HA -0.240 3.880 4.120 -0.001 0.000 0.249 151 V C -0.727 175.400 176.094 0.056 0.000 1.056 151 V CA 2.393 64.614 62.300 -0.132 0.000 1.022 151 V CB -1.616 30.093 31.823 -0.189 0.000 0.641 151 V HN 0.202 nan 8.190 nan 0.000 0.445 152 P HA -0.169 nan 4.420 nan 0.000 0.215 152 P C 1.765 179.124 177.300 0.099 0.000 1.153 152 P CA 1.453 64.593 63.100 0.066 0.000 0.853 152 P CB -0.145 31.546 31.700 -0.016 0.000 0.788 153 R N 0.148 120.681 120.500 0.056 0.000 2.091 153 R HA -0.134 4.205 4.340 -0.001 0.000 0.238 153 R C 2.128 178.466 176.300 0.063 0.000 1.136 153 R CA 1.604 57.737 56.100 0.055 0.000 0.959 153 R CB -0.850 29.476 30.300 0.045 0.000 0.856 153 R HN 0.150 nan 8.270 nan 0.000 0.437 154 I N 0.039 120.631 120.570 0.036 0.000 2.226 154 I HA -0.273 3.896 4.170 -0.001 0.000 0.245 154 I C 1.961 178.055 176.117 -0.038 0.000 1.100 154 I CA 1.311 62.574 61.300 -0.062 0.000 1.374 154 I CB -0.363 37.486 38.000 -0.251 0.000 1.057 154 I HN 0.124 nan 8.210 nan 0.000 0.413 155 F N 1.239 121.190 119.950 0.001 0.000 2.171 155 F HA -0.222 4.304 4.527 -0.001 0.000 0.300 155 F C 2.605 178.444 175.800 0.065 0.000 1.090 155 F CA 1.614 59.635 58.000 0.035 0.000 1.293 155 F CB -0.357 38.607 39.000 -0.060 0.000 1.013 155 F HN -0.047 nan 8.300 nan 0.000 0.486 156 K N 0.431 120.954 120.400 0.206 0.000 2.002 156 K HA -0.187 4.133 4.320 -0.001 0.000 0.209 156 K C 1.501 178.162 176.600 0.102 0.000 1.048 156 K CA 1.952 58.312 56.287 0.121 0.000 0.930 156 K CB -0.267 32.278 32.500 0.076 0.000 0.714 156 K HN 0.095 nan 8.250 nan 0.000 0.438 157 D N 0.797 121.249 120.400 0.087 0.000 2.351 157 D HA -0.118 4.522 4.640 -0.001 0.000 0.216 157 D C 1.627 177.987 176.300 0.100 0.000 0.968 157 D CA 0.767 54.813 54.000 0.077 0.000 0.899 157 D CB 0.120 40.958 40.800 0.063 0.000 0.907 157 D HN 0.309 nan 8.370 nan 0.000 0.514 158 L N -0.746 120.565 121.223 0.148 0.000 2.567 158 L HA 0.173 4.513 4.340 -0.001 0.000 0.225 158 L C 1.304 178.390 176.870 0.359 0.000 1.119 158 L CA 0.323 55.299 54.840 0.226 0.000 0.871 158 L CB 0.181 42.402 42.059 0.270 0.000 1.036 158 L HN 0.085 nan 8.230 nan 0.000 0.459 159 G N -0.677 108.281 108.800 0.264 0.000 2.130 159 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.216 159 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.216 159 G C -0.078 174.919 174.900 0.162 0.000 0.999 159 G CA -0.491 44.740 45.100 0.218 0.000 0.686 159 G HN 0.206 nan 8.290 nan 0.000 0.515 160 Y N 1.542 121.713 120.300 -0.216 0.000 2.569 160 Y HA 0.439 4.989 4.550 -0.000 0.000 0.332 160 Y C -0.807 174.769 175.900 -0.540 0.000 1.120 160 Y CA -1.415 56.208 58.100 -0.795 0.000 1.416 160 Y CB 1.175 39.188 38.460 -0.745 0.000 1.210 160 Y HN 0.060 nan 8.280 nan 0.000 0.528 161 P HA -0.056 nan 4.420 nan 0.000 0.230 161 P C -1.110 175.426 177.300 -1.274 0.000 1.158 161 P CA 1.247 63.645 63.100 -1.170 0.000 0.769 161 P CB 0.020 30.833 31.700 -1.478 0.000 0.807 162 F N -0.394 119.072 119.950 -0.806 0.000 2.493 162 F HA 0.602 5.128 4.527 -0.001 0.000 0.329 162 F C 0.554 176.221 175.800 -0.221 0.000 1.126 162 F CA -2.079 55.630 58.000 -0.485 0.000 0.937 162 F CB 0.711 39.394 39.000 -0.529 0.000 1.146 162 F HN -0.276 nan 8.300 nan 0.000 0.442 163 A N 4.176 127.012 122.820 0.026 0.000 2.477 163 A HA 0.585 4.905 4.320 -0.001 0.000 0.246 163 A C -0.558 177.033 177.584 0.013 0.000 1.078 163 A CA -0.267 51.780 52.037 0.017 0.000 0.770 163 A CB 0.051 19.044 19.000 -0.013 0.000 1.011 163 A HN 0.811 nan 8.150 nan 0.000 0.494 164 L N 3.006 124.225 121.223 -0.006 0.000 2.287 164 L HA 0.357 4.697 4.340 -0.001 0.000 0.287 164 L C 0.771 177.593 176.870 -0.080 0.000 1.022 164 L CA -0.460 54.337 54.840 -0.071 0.000 0.814 164 L CB 1.671 43.649 42.059 -0.136 0.000 1.217 164 L HN 0.856 nan 8.230 nan 0.000 0.420 165 S N 1.882 117.525 115.700 -0.096 0.000 2.592 165 S HA 0.146 4.616 4.470 -0.001 0.000 0.271 165 S C 0.997 175.536 174.600 -0.102 0.000 1.326 165 S CA -0.601 57.550 58.200 -0.083 0.000 1.024 165 S CB 1.560 64.716 63.200 -0.074 0.000 0.921 165 S HN 0.749 nan 8.310 nan 0.000 0.527 166 K N 1.203 121.545 120.400 -0.096 0.000 2.044 166 K HA -0.193 4.127 4.320 -0.001 0.000 0.210 166 K C 2.285 178.804 176.600 -0.134 0.000 1.049 166 K CA 1.982 58.181 56.287 -0.146 0.000 0.927 166 K CB -0.654 31.799 32.500 -0.078 0.000 0.713 166 K HN 0.814 nan 8.250 nan 0.000 0.443 167 S N -0.400 115.299 115.700 -0.002 0.000 2.428 167 S HA -0.057 4.413 4.470 -0.001 0.000 0.230 167 S C 1.879 176.505 174.600 0.042 0.000 1.014 167 S CA 1.360 59.626 58.200 0.111 0.000 0.957 167 S CB -0.083 63.177 63.200 0.100 0.000 0.784 167 S HN 0.294 nan 8.310 nan 0.000 0.499 168 S N 2.223 117.898 115.700 -0.042 0.000 2.374 168 S HA -0.072 4.397 4.470 -0.001 0.000 0.227 168 S C 1.974 176.525 174.600 -0.082 0.000 1.037 168 S CA 1.746 59.908 58.200 -0.064 0.000 1.024 168 S CB -0.450 62.682 63.200 -0.114 0.000 0.861 168 S HN 0.479 nan 8.310 nan 0.000 0.456 169 M N -0.123 119.388 119.600 -0.149 0.000 2.279 169 M HA -0.049 4.431 4.480 -0.001 0.000 0.264 169 M C 1.504 177.808 176.300 0.007 0.000 1.062 169 M CA 1.374 56.593 55.300 -0.136 0.000 1.099 169 M CB -1.245 31.161 32.600 -0.322 0.000 1.394 169 M HN 0.424 nan 8.290 nan 0.000 0.426 170 Y N 0.093 120.441 120.300 0.080 0.000 2.519 170 Y HA -0.047 4.502 4.550 -0.001 0.000 0.287 170 Y C 1.826 177.775 175.900 0.082 0.000 1.128 170 Y CA 1.054 59.235 58.100 0.134 0.000 1.282 170 Y CB 0.102 38.592 38.460 0.049 0.000 1.027 170 Y HN 0.370 nan 8.280 nan 0.000 0.551 171 T N -3.911 110.739 114.554 0.160 0.000 3.393 171 T HA 0.117 4.467 4.350 -0.001 0.000 0.298 171 T C 1.330 176.047 174.700 0.029 0.000 1.004 171 T CA 0.298 62.451 62.100 0.088 0.000 0.956 171 T CB -0.738 68.177 68.868 0.079 0.000 1.182 171 T HN 0.096 nan 8.240 nan 0.000 0.497 172 V N -0.150 119.744 119.914 -0.034 0.000 2.313 172 V HA -0.069 4.051 4.120 -0.001 0.000 0.253 172 V C 2.438 178.561 176.094 0.048 0.000 1.070 172 V CA 2.282 64.523 62.300 -0.098 0.000 1.057 172 V CB -1.556 29.995 31.823 -0.453 0.000 0.653 172 V HN 0.559 nan 8.190 nan 0.000 0.450 173 G N -0.220 108.549 108.800 -0.052 0.000 2.813 173 G HA2 0.391 4.350 3.960 -0.001 0.000 0.209 173 G HA3 0.391 4.350 3.960 -0.001 0.000 0.209 173 G C 0.722 175.599 174.900 -0.038 0.000 1.150 173 G CA 0.404 45.409 45.100 -0.159 0.000 0.785 173 G HN 1.074 nan 8.290 nan 0.000 0.535 174 A N 0.844 123.687 122.820 0.039 0.000 2.425 174 A HA 0.496 4.816 4.320 -0.001 0.000 0.242 174 A C -0.503 177.152 177.584 0.117 0.000 1.077 174 A CA -0.735 51.332 52.037 0.050 0.000 0.781 174 A CB 0.654 19.677 19.000 0.038 0.000 1.020 174 A HN 0.095 nan 8.150 nan 0.000 0.494 175 P HA -0.158 nan 4.420 nan 0.000 0.216 175 P C 0.495 178.002 177.300 0.346 0.000 1.153 175 P CA 1.629 64.834 63.100 0.174 0.000 0.858 175 P CB -0.001 31.750 31.700 0.085 0.000 0.789 176 H N -2.643 116.481 119.070 0.090 0.000 2.526 176 H HA 0.226 4.782 4.556 -0.000 0.000 0.274 176 H C 1.219 176.644 175.328 0.162 0.000 0.999 176 H CA 0.721 56.830 56.048 0.101 0.000 1.157 176 H CB -0.568 29.241 29.762 0.078 0.000 1.407 176 H HN 0.082 nan 8.280 nan 0.000 0.568 177 T N -1.568 113.153 114.554 0.279 0.000 3.056 177 T HA -0.089 4.261 4.350 -0.001 0.000 0.243 177 T C 1.874 176.729 174.700 0.258 0.000 0.995 177 T CA -0.213 62.036 62.100 0.249 0.000 1.091 177 T CB 0.081 69.038 68.868 0.147 0.000 0.990 177 T HN 0.501 nan 8.240 nan 0.000 0.464 178 W N 3.005 124.327 121.300 0.036 0.000 2.321 178 W HA -0.136 4.524 4.660 -0.000 0.000 0.306 178 W C -1.670 174.849 176.519 -0.001 0.000 1.217 178 W CA 1.176 58.523 57.345 0.002 0.000 1.257 178 W CB -1.035 28.429 29.460 0.007 0.000 1.145 178 W HN 0.249 nan 8.180 nan 0.000 0.509 179 P HA -0.227 nan 4.420 nan 0.000 0.216 179 P C 1.401 178.510 177.300 -0.319 0.000 1.153 179 P CA 2.284 65.224 63.100 -0.267 0.000 0.858 179 P CB -0.545 31.021 31.700 -0.223 0.000 0.789 180 H N -1.353 117.640 119.070 -0.128 0.000 2.389 180 H HA -0.050 4.506 4.556 -0.001 0.000 0.299 180 H C 1.899 177.116 175.328 -0.185 0.000 1.081 180 H CA 1.018 56.988 56.048 -0.131 0.000 1.345 180 H CB -0.472 29.229 29.762 -0.101 0.000 1.393 180 H HN 0.098 nan 8.280 nan 0.000 0.520 181 I N 0.238 120.743 120.570 -0.108 0.000 2.286 181 I HA -0.160 4.010 4.170 -0.001 0.000 0.245 181 I C 2.692 178.609 176.117 -0.333 0.000 1.104 181 I CA 0.597 61.779 61.300 -0.197 0.000 1.397 181 I CB -1.175 36.757 38.000 -0.114 0.000 1.072 181 I HN 0.054 nan 8.210 nan 0.000 0.417 182 V N 1.473 120.935 119.914 -0.755 0.000 2.407 182 V HA -0.227 3.893 4.120 -0.001 0.000 0.248 182 V C 2.727 178.607 176.094 -0.357 0.000 1.055 182 V CA 1.891 63.687 62.300 -0.840 0.000 1.049 182 V CB -0.476 30.536 31.823 -1.352 0.000 0.662 182 V HN 0.404 nan 8.190 nan 0.000 0.455 183 A N -0.035 122.626 122.820 -0.264 0.000 1.883 183 A HA -0.116 4.204 4.320 -0.001 0.000 0.217 183 A C 2.448 180.066 177.584 0.057 0.000 1.186 183 A CA 2.333 54.341 52.037 -0.048 0.000 0.624 183 A CB -1.098 17.918 19.000 0.027 0.000 0.822 183 A HN 0.824 nan 8.150 nan 0.000 0.444 184 A N -0.326 122.456 122.820 -0.063 0.000 1.902 184 A HA -0.038 4.282 4.320 -0.001 0.000 0.217 184 A C 2.180 179.847 177.584 0.139 0.000 1.181 184 A CA 1.496 53.382 52.037 -0.252 0.000 0.623 184 A CB -0.615 17.879 19.000 -0.844 0.000 0.818 184 A HN 0.483 nan 8.150 nan 0.000 0.443 185 L N -0.632 120.679 121.223 0.146 0.000 2.046 185 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 185 L C 2.500 179.447 176.870 0.128 0.000 1.077 185 L CA 1.102 56.096 54.840 0.255 0.000 0.747 185 L CB -0.622 41.568 42.059 0.218 0.000 0.896 185 L HN 0.243 nan 8.230 nan 0.000 0.432 186 V N -1.125 118.825 119.914 0.060 0.000 2.427 186 V HA -0.286 3.833 4.120 -0.001 0.000 0.248 186 V C 2.065 178.207 176.094 0.080 0.000 1.051 186 V CA 1.821 64.122 62.300 0.002 0.000 1.048 186 V CB -0.524 31.277 31.823 -0.036 0.000 0.666 186 V HN 0.638 nan 8.190 nan 0.000 0.456 187 W N 0.371 121.697 121.300 0.044 0.000 2.358 187 W HA -0.212 4.447 4.660 -0.001 0.000 0.303 187 W C 2.138 178.689 176.519 0.052 0.000 1.208 187 W CA 1.736 59.152 57.345 0.119 0.000 1.274 187 W CB -0.242 29.396 29.460 0.297 0.000 1.138 187 W HN 0.238 nan 8.180 nan 0.000 0.515 188 L N 1.265 122.644 121.223 0.259 0.000 2.012 188 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 188 L C 2.304 178.989 176.870 -0.310 0.000 1.073 188 L CA 2.117 56.922 54.840 -0.057 0.000 0.748 188 L CB -1.114 41.002 42.059 0.096 0.000 0.891 188 L HN 0.152 nan 8.230 nan 0.000 0.431 189 I N -0.306 120.064 120.570 -0.333 0.000 2.248 189 I HA -0.334 3.836 4.170 -0.001 0.000 0.248 189 I C 2.007 177.852 176.117 -0.453 0.000 1.107 189 I CA 1.547 62.488 61.300 -0.598 0.000 1.373 189 I CB -0.668 36.916 38.000 -0.693 0.000 1.055 189 I HN 0.330 nan 8.210 nan 0.000 0.418 190 D N 0.435 120.624 120.400 -0.351 0.000 2.144 190 D HA -0.132 4.508 4.640 -0.001 0.000 0.200 190 D C 2.280 178.366 176.300 -0.357 0.000 0.978 190 D CA 1.055 54.872 54.000 -0.306 0.000 0.833 190 D CB -0.310 40.337 40.800 -0.254 0.000 0.961 190 D HN 0.357 nan 8.370 nan 0.000 0.470 191 C N 0.442 119.430 119.300 -0.520 0.000 2.413 191 C HA -0.134 4.326 4.460 -0.001 0.000 0.277 191 C C 2.799 177.647 174.990 -0.237 0.000 1.228 191 C CA 0.158 58.911 59.018 -0.442 0.000 1.731 191 C CB -1.050 26.354 27.740 -0.561 0.000 2.042 191 C HN 0.359 nan 8.230 nan 0.000 0.468 192 I N 0.813 121.234 120.570 -0.247 0.000 2.145 192 I HA -0.320 3.850 4.170 -0.001 0.000 0.244 192 I C 2.574 178.649 176.117 -0.069 0.000 1.075 192 I CA 1.768 62.983 61.300 -0.142 0.000 1.332 192 I CB -0.535 37.300 38.000 -0.276 0.000 1.033 192 I HN 0.434 nan 8.210 nan 0.000 0.410 193 K N 0.678 121.006 120.400 -0.120 0.000 2.009 193 K HA -0.168 4.151 4.320 -0.001 0.000 0.210 193 K C 2.139 178.714 176.600 -0.042 0.000 1.049 193 K CA 1.595 57.846 56.287 -0.060 0.000 0.929 193 K CB -0.304 32.153 32.500 -0.072 0.000 0.714 193 K HN 0.282 nan 8.250 nan 0.000 0.440 194 I N 0.298 120.830 120.570 -0.063 0.000 2.163 194 I HA -0.317 3.852 4.170 -0.001 0.000 0.243 194 I C 2.535 178.660 176.117 0.013 0.000 1.085 194 I CA 1.493 62.772 61.300 -0.035 0.000 1.347 194 I CB -0.308 37.655 38.000 -0.061 0.000 1.044 194 I HN 0.243 nan 8.210 nan 0.000 0.408 195 H N 0.341 119.362 119.070 -0.082 0.000 2.423 195 H HA -0.124 4.432 4.556 -0.001 0.000 0.297 195 H C 2.214 177.523 175.328 -0.032 0.000 1.075 195 H CA 1.935 57.949 56.048 -0.057 0.000 1.342 195 H CB -0.089 29.633 29.762 -0.067 0.000 1.395 195 H HN 0.155 nan 8.280 nan 0.000 0.530 196 T N -0.377 114.153 114.554 -0.041 0.000 2.812 196 T HA -0.029 4.321 4.350 -0.001 0.000 0.264 196 T C 2.211 176.866 174.700 -0.076 0.000 1.042 196 T CA 1.031 63.093 62.100 -0.064 0.000 1.140 196 T CB -0.492 68.385 68.868 0.014 0.000 0.870 196 T HN 0.507 nan 8.240 nan 0.000 0.445 197 A N 1.238 124.027 122.820 -0.052 0.000 1.933 197 A HA -0.048 4.272 4.320 -0.001 0.000 0.218 197 A C 2.209 179.756 177.584 -0.062 0.000 1.175 197 A CA 1.613 53.624 52.037 -0.044 0.000 0.628 197 A CB -0.662 18.322 19.000 -0.028 0.000 0.814 197 A HN 0.419 nan 8.150 nan 0.000 0.444 198 M N 0.063 119.613 119.600 -0.084 0.000 2.267 198 M HA -0.089 4.391 4.480 -0.001 0.000 0.263 198 M C 1.207 177.434 176.300 -0.122 0.000 1.063 198 M CA 1.510 56.755 55.300 -0.092 0.000 1.090 198 M CB -0.345 32.201 32.600 -0.091 0.000 1.392 198 M HN 0.289 nan 8.290 nan 0.000 0.422 199 K N -0.472 119.829 120.400 -0.165 0.000 2.546 199 K HA -0.015 4.305 4.320 -0.001 0.000 0.198 199 K C 0.600 177.153 176.600 -0.079 0.000 1.028 199 K CA 0.159 56.363 56.287 -0.139 0.000 1.150 199 K CB 0.177 32.577 32.500 -0.167 0.000 0.876 199 K HN 0.337 nan 8.250 nan 0.000 0.508 200 E N -0.083 120.080 120.200 -0.062 0.000 2.907 200 E HA 0.084 4.434 4.350 -0.001 0.000 0.197 200 E C -0.370 176.211 176.600 -0.032 0.000 1.150 200 E CA 0.237 56.614 56.400 -0.039 0.000 1.134 200 E CB 0.707 30.389 29.700 -0.031 0.000 2.214 200 E HN 0.121 nan 8.360 nan 0.000 0.541 201 S N -0.704 114.980 115.700 -0.027 0.000 2.575 201 S HA 0.817 5.287 4.470 -0.001 0.000 0.278 201 S C -0.566 174.024 174.600 -0.017 0.000 1.139 201 S CA -0.571 57.618 58.200 -0.019 0.000 0.954 201 S CB 1.942 65.134 63.200 -0.013 0.000 1.054 201 S HN 0.149 nan 8.310 nan 0.000 0.483 212 G N 1.071 109.880 108.800 0.015 0.000 2.788 212 G HA2 0.465 4.424 3.960 -0.001 0.000 0.327 212 G HA3 0.465 4.424 3.960 -0.001 0.000 0.327 212 G C -0.090 174.823 174.900 0.021 0.000 1.249 212 G CA 0.371 45.480 45.100 0.015 0.000 1.063 212 G HN 0.799 nan 8.290 nan 0.000 0.497 213 E N 1.518 121.725 120.200 0.012 0.000 2.385 213 E HA 0.024 4.374 4.350 -0.001 0.000 0.194 213 E C 0.903 177.495 176.600 -0.013 0.000 1.013 213 E CA 0.459 56.866 56.400 0.012 0.000 0.866 213 E CB 0.298 30.003 29.700 0.009 0.000 0.832 213 E HN 0.751 nan 8.360 nan 0.000 0.500 214 E N -1.142 119.045 120.200 -0.022 0.000 2.275 214 E HA 0.372 4.722 4.350 -0.001 0.000 0.270 214 E C -0.941 175.647 176.600 -0.021 0.000 0.882 214 E CA -0.777 55.597 56.400 -0.042 0.000 0.758 214 E CB 1.480 31.135 29.700 -0.074 0.000 1.195 214 E HN -0.226 nan 8.360 nan 0.000 0.419 215 T N 1.903 116.445 114.554 -0.020 0.000 2.913 215 T HA 0.020 4.370 4.350 -0.001 0.000 0.287 215 T C 0.845 175.530 174.700 -0.026 0.000 1.008 215 T CA -0.565 61.530 62.100 -0.009 0.000 1.067 215 T CB 1.228 70.099 68.868 0.007 0.000 0.996 215 T HN 0.667 nan 8.240 nan 0.000 0.513 216 E N 2.109 122.299 120.200 -0.016 0.000 2.463 216 E HA -0.079 4.271 4.350 -0.001 0.000 0.191 216 E C 0.093 176.678 176.600 -0.025 0.000 1.083 216 E CA 0.311 56.699 56.400 -0.020 0.000 0.872 216 E CB -0.015 29.677 29.700 -0.013 0.000 0.966 216 E HN 0.718 nan 8.360 nan 0.000 0.491 217 D N -0.782 119.599 120.400 -0.032 0.000 2.696 217 D HA 0.168 4.808 4.640 -0.001 0.000 0.269 217 D C 0.905 177.165 176.300 -0.067 0.000 1.319 217 D CA -0.012 53.963 54.000 -0.041 0.000 0.826 217 D CB -0.055 40.726 40.800 -0.032 0.000 1.086 217 D HN 0.196 nan 8.370 nan 0.000 0.481 218 G N 0.733 109.491 108.800 -0.070 0.000 2.132 218 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.234 218 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.234 218 G C 0.029 174.856 174.900 -0.122 0.000 0.989 218 G CA -0.008 45.040 45.100 -0.087 0.000 0.676 218 G HN 0.437 nan 8.290 nan 0.000 0.522 219 I N 1.600 122.088 120.570 -0.137 0.000 2.365 219 I HA 0.478 4.648 4.170 -0.001 0.000 0.291 219 I C 0.526 176.563 176.117 -0.132 0.000 1.004 219 I CA -0.485 60.706 61.300 -0.183 0.000 1.311 219 I CB 1.071 38.924 38.000 -0.246 0.000 1.401 219 I HN -0.025 nan 8.210 nan 0.000 0.491 220 M N 5.237 124.752 119.600 -0.142 0.000 2.364 220 M HA 0.329 4.809 4.480 -0.001 0.000 0.334 220 M C -0.245 175.935 176.300 -0.201 0.000 1.107 220 M CA -0.686 54.459 55.300 -0.257 0.000 0.988 220 M CB 0.628 33.046 32.600 -0.303 0.000 1.673 220 M HN 0.605 nan 8.290 nan 0.000 0.441 221 H N -0.346 118.741 119.070 0.028 0.000 2.889 221 H HA -0.153 4.403 4.556 -0.000 0.000 0.324 221 H C 0.881 176.258 175.328 0.081 0.000 1.274 221 H CA 0.500 56.572 56.048 0.039 0.000 1.176 221 H CB -1.672 28.106 29.762 0.025 0.000 1.479 221 H HN 0.770 nan 8.280 nan 0.000 0.438 222 N N 1.280 120.060 118.700 0.133 0.000 2.205 222 N HA -0.163 4.576 4.740 -0.001 0.000 0.186 222 N C 1.995 177.615 175.510 0.185 0.000 1.015 222 N CA 1.698 54.859 53.050 0.185 0.000 0.862 222 N CB 0.101 38.659 38.487 0.118 0.000 0.986 222 N HN 0.517 nan 8.380 nan 0.000 0.429 223 K N 0.146 120.624 120.400 0.129 0.000 2.147 223 K HA -0.112 4.207 4.320 -0.001 0.000 0.205 223 K C 1.738 178.400 176.600 0.103 0.000 1.049 223 K CA 0.668 57.011 56.287 0.093 0.000 0.936 223 K CB -0.298 32.243 32.500 0.068 0.000 0.722 223 K HN 0.292 nan 8.250 nan 0.000 0.446 224 L N 0.450 121.758 121.223 0.142 0.000 2.162 224 L HA -0.011 4.329 4.340 -0.001 0.000 0.205 224 L C 2.090 179.084 176.870 0.206 0.000 1.086 224 L CA 1.238 56.158 54.840 0.134 0.000 0.778 224 L CB -0.683 41.436 42.059 0.100 0.000 0.928 224 L HN 0.089 nan 8.230 nan 0.000 0.446 225 F N -0.156 119.849 119.950 0.092 0.000 2.113 225 F HA -0.164 4.363 4.527 -0.001 0.000 0.297 225 F C 2.104 177.985 175.800 0.134 0.000 1.103 225 F CA 1.695 59.772 58.000 0.127 0.000 1.248 225 F CB -0.513 38.539 39.000 0.087 0.000 0.999 225 F HN 0.035 nan 8.300 nan 0.000 0.475 226 L N 0.144 121.324 121.223 -0.070 0.000 2.042 226 L HA -0.257 4.083 4.340 -0.001 0.000 0.210 226 L C 2.226 179.008 176.870 -0.146 0.000 1.076 226 L CA 2.038 56.756 54.840 -0.203 0.000 0.749 226 L CB -0.726 41.298 42.059 -0.058 0.000 0.893 226 L HN 0.216 nan 8.230 nan 0.000 0.432 227 D N -1.141 119.242 120.400 -0.028 0.000 2.097 227 D HA -0.303 4.336 4.640 -0.001 0.000 0.195 227 D C 2.066 178.370 176.300 0.008 0.000 0.989 227 D CA 1.408 55.410 54.000 0.002 0.000 0.827 227 D CB -0.160 40.666 40.800 0.044 0.000 0.966 227 D HN 0.306 nan 8.370 nan 0.000 0.456 228 Y N 0.968 121.214 120.300 -0.090 0.000 2.070 228 Y HA -0.240 4.310 4.550 -0.001 0.000 0.280 228 Y C 2.380 178.172 175.900 -0.180 0.000 1.148 228 Y CA 2.504 60.552 58.100 -0.087 0.000 1.125 228 Y CB -0.937 37.510 38.460 -0.021 0.000 0.975 228 Y HN -0.018 nan 8.280 nan 0.000 0.492 229 T N 1.504 115.758 114.554 -0.501 0.000 2.684 229 T HA -0.224 4.125 4.350 -0.001 0.000 0.267 229 T C 2.034 176.499 174.700 -0.393 0.000 1.036 229 T CA 2.177 63.887 62.100 -0.651 0.000 1.148 229 T CB -0.579 67.779 68.868 -0.851 0.000 0.863 229 T HN 0.394 nan 8.240 nan 0.000 0.436 230 I N 0.683 121.101 120.570 -0.254 0.000 2.163 230 I HA -0.213 3.957 4.170 -0.001 0.000 0.243 230 I C 2.607 178.699 176.117 -0.042 0.000 1.085 230 I CA 1.460 62.700 61.300 -0.100 0.000 1.347 230 I CB -0.299 37.665 38.000 -0.061 0.000 1.044 230 I HN 0.198 nan 8.210 nan 0.000 0.408 231 K N 0.058 120.411 120.400 -0.078 0.000 2.032 231 K HA -0.199 4.121 4.320 -0.001 0.000 0.209 231 K C 2.237 178.831 176.600 -0.010 0.000 1.048 231 K CA 1.792 58.063 56.287 -0.028 0.000 0.927 231 K CB -0.400 32.094 32.500 -0.010 0.000 0.712 231 K HN 0.403 nan 8.250 nan 0.000 0.441 232 C N -0.058 119.148 119.300 -0.157 0.000 2.413 232 C HA -0.156 4.304 4.460 -0.001 0.000 0.277 232 C C 2.406 177.478 174.990 0.136 0.000 1.265 232 C CA 0.441 59.386 59.018 -0.123 0.000 1.752 232 C CB -0.867 26.454 27.740 -0.699 0.000 1.998 232 C HN 0.454 nan 8.230 nan 0.000 0.489 233 Y N 1.502 121.744 120.300 -0.096 0.000 2.200 233 Y HA -0.181 4.368 4.550 -0.000 0.000 0.290 233 Y C 2.686 178.673 175.900 0.144 0.000 1.137 233 Y CA 1.308 59.420 58.100 0.019 0.000 1.163 233 Y CB -0.048 38.373 38.460 -0.065 0.000 0.988 233 Y HN 0.377 nan 8.280 nan 0.000 0.518 234 E N -0.532 119.736 120.200 0.112 0.000 2.058 234 E HA -0.220 4.130 4.350 -0.001 0.000 0.194 234 E C 2.316 178.944 176.600 0.046 0.000 0.997 234 E CA 1.341 57.761 56.400 0.033 0.000 0.801 234 E CB -0.495 29.228 29.700 0.038 0.000 0.746 234 E HN 0.320 nan 8.360 nan 0.000 0.450 235 S N 0.528 116.303 115.700 0.125 0.000 2.353 235 S HA -0.151 4.319 4.470 -0.001 0.000 0.222 235 S C 1.656 176.333 174.600 0.129 0.000 1.035 235 S CA 1.070 59.346 58.200 0.126 0.000 1.025 235 S CB -0.403 62.921 63.200 0.206 0.000 0.902 235 S HN 0.298 nan 8.310 nan 0.000 0.440 236 F N 1.467 121.504 119.950 0.145 0.000 2.095 236 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 236 F C 2.009 177.775 175.800 -0.057 0.000 1.104 236 F CA 1.585 59.656 58.000 0.118 0.000 1.232 236 F CB -0.313 38.833 39.000 0.244 0.000 0.987 236 F HN 0.171 nan 8.300 nan 0.000 0.475 237 M N -0.195 119.349 119.600 -0.093 0.000 2.686 237 M HA -0.036 4.444 4.480 -0.001 0.000 0.246 237 M C 1.478 177.654 176.300 -0.207 0.000 1.096 237 M CA 0.955 56.106 55.300 -0.247 0.000 1.076 237 M CB -0.514 31.923 32.600 -0.271 0.000 1.504 237 M HN 0.027 nan 8.290 nan 0.000 0.524 238 S N -1.156 114.446 115.700 -0.163 0.000 2.539 238 S HA 0.458 4.927 4.470 -0.001 0.000 0.221 238 S C 1.294 175.799 174.600 -0.158 0.000 0.987 238 S CA 0.345 58.467 58.200 -0.130 0.000 0.929 238 S CB 0.326 63.480 63.200 -0.077 0.000 0.832 238 S HN 0.650 nan 8.310 nan 0.000 0.492 239 G N 1.560 110.216 108.800 -0.241 0.000 2.176 239 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.232 239 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.232 239 G C 0.263 175.035 174.900 -0.213 0.000 0.986 239 G CA -0.232 44.723 45.100 -0.243 0.000 0.643 239 G HN 0.840 nan 8.290 nan 0.000 0.522 240 A N 0.086 122.791 122.820 -0.191 0.000 2.531 240 A HA 0.475 4.795 4.320 -0.001 0.000 0.236 240 A C 1.143 178.563 177.584 -0.273 0.000 1.062 240 A CA 1.439 53.346 52.037 -0.217 0.000 0.760 240 A CB 0.301 19.167 19.000 -0.223 0.000 0.995 240 A HN 0.275 nan 8.150 nan 0.000 0.501 241 D N -0.290 119.938 120.400 -0.287 0.000 2.431 241 D HA 0.078 4.718 4.640 -0.001 0.000 0.227 241 D C 0.966 177.039 176.300 -0.379 0.000 1.030 241 D CA 1.316 55.182 54.000 -0.224 0.000 0.897 241 D CB 0.244 40.976 40.800 -0.114 0.000 1.058 241 D HN 0.644 nan 8.370 nan 0.000 0.500 242 S N -1.268 114.139 115.700 -0.487 0.000 2.689 242 S HA 0.594 5.064 4.470 -0.001 0.000 0.306 242 S C -0.570 173.579 174.600 -0.751 0.000 1.104 242 S CA -0.745 57.187 58.200 -0.447 0.000 0.973 242 S CB 1.139 64.255 63.200 -0.139 0.000 1.121 242 S HN -0.021 nan 8.310 nan 0.000 0.523 243 F N 0.542 120.539 119.950 0.078 0.000 2.623 243 F HA 0.371 4.898 4.527 -0.000 0.000 0.361 243 F C 0.576 176.436 175.800 0.100 0.000 1.469 243 F CA -0.820 57.230 58.000 0.082 0.000 1.126 243 F CB 0.473 39.521 39.000 0.080 0.000 1.221 243 F HN 0.485 nan 8.300 nan 0.000 0.536 244 D N 0.610 121.105 120.400 0.160 0.000 2.097 244 D HA -0.146 4.494 4.640 -0.001 0.000 0.197 244 D C 1.868 178.248 176.300 0.133 0.000 0.984 244 D CA 1.274 55.352 54.000 0.131 0.000 0.826 244 D CB 0.127 40.970 40.800 0.072 0.000 0.973 244 D HN 0.449 nan 8.370 nan 0.000 0.460 245 E N 0.126 120.394 120.200 0.115 0.000 2.070 245 E HA -0.190 4.160 4.350 -0.001 0.000 0.197 245 E C 2.094 178.782 176.600 0.146 0.000 1.004 245 E CA 1.223 57.687 56.400 0.106 0.000 0.805 245 E CB -0.087 29.664 29.700 0.084 0.000 0.744 245 E HN 0.198 nan 8.360 nan 0.000 0.451 246 M N 0.643 120.366 119.600 0.205 0.000 2.132 246 M HA -0.106 4.373 4.480 -0.001 0.000 0.263 246 M C 1.759 178.273 176.300 0.357 0.000 1.065 246 M CA 1.111 56.571 55.300 0.266 0.000 1.122 246 M CB -0.336 32.400 32.600 0.226 0.000 1.365 246 M HN -0.043 nan 8.290 nan 0.000 0.411 247 N N 0.606 119.510 118.700 0.340 0.000 2.120 247 N HA -0.047 4.693 4.740 -0.001 0.000 0.188 247 N C 1.791 177.378 175.510 0.127 0.000 1.024 247 N CA 1.714 54.909 53.050 0.242 0.000 0.852 247 N CB -0.551 38.066 38.487 0.217 0.000 1.003 247 N HN 0.395 nan 8.380 nan 0.000 0.424 248 A N 1.180 124.072 122.820 0.121 0.000 1.883 248 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 248 A C 2.143 179.769 177.584 0.070 0.000 1.186 248 A CA 1.621 53.707 52.037 0.081 0.000 0.624 248 A CB -0.668 18.376 19.000 0.074 0.000 0.822 248 A HN 0.397 nan 8.150 nan 0.000 0.444 249 E N -0.731 119.523 120.200 0.090 0.000 2.110 249 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 249 E C 1.892 178.527 176.600 0.058 0.000 0.988 249 E CA 1.248 57.693 56.400 0.075 0.000 0.804 249 E CB -0.154 29.601 29.700 0.092 0.000 0.745 249 E HN 0.463 nan 8.360 nan 0.000 0.458 250 L N 1.166 122.426 121.223 0.061 0.000 2.083 250 L HA -0.186 4.153 4.340 -0.001 0.000 0.209 250 L C 2.129 178.977 176.870 -0.037 0.000 1.083 250 L CA 1.740 56.564 54.840 -0.025 0.000 0.752 250 L CB -0.262 41.677 42.059 -0.201 0.000 0.899 250 L HN 0.105 nan 8.230 nan 0.000 0.433 251 Q N -1.418 118.376 119.800 -0.010 0.000 2.172 251 Q HA -0.136 4.204 4.340 -0.001 0.000 0.200 251 Q C 2.288 178.291 176.000 0.005 0.000 0.964 251 Q CA 1.461 57.264 55.803 -0.000 0.000 0.855 251 Q CB -0.027 28.720 28.738 0.015 0.000 0.918 251 Q HN 0.506 nan 8.270 nan 0.000 0.444 252 S N 0.811 116.516 115.700 0.010 0.000 2.359 252 S HA -0.165 4.304 4.470 -0.001 0.000 0.224 252 S C 1.658 176.249 174.600 -0.015 0.000 1.035 252 S CA 1.331 59.535 58.200 0.007 0.000 1.018 252 S CB -0.042 63.166 63.200 0.014 0.000 0.876 252 S HN 0.303 nan 8.310 nan 0.000 0.448 253 K N 0.628 121.011 120.400 -0.028 0.000 2.217 253 K HA 0.115 4.435 4.320 -0.001 0.000 0.202 253 K C 1.835 178.366 176.600 -0.115 0.000 1.051 253 K CA 0.657 56.906 56.287 -0.064 0.000 0.952 253 K CB -0.179 32.289 32.500 -0.053 0.000 0.736 253 K HN 0.312 nan 8.250 nan 0.000 0.453 254 L N 0.727 121.901 121.223 -0.082 0.000 2.313 254 L HA -0.081 4.259 4.340 -0.001 0.000 0.214 254 L C 2.073 178.929 176.870 -0.024 0.000 1.119 254 L CA 0.879 55.672 54.840 -0.079 0.000 0.809 254 L CB -0.080 41.991 42.059 0.021 0.000 0.933 254 L HN 0.078 nan 8.230 nan 0.000 0.449 255 K N -0.124 120.272 120.400 -0.007 0.000 2.103 255 K HA -0.128 4.192 4.320 -0.001 0.000 0.204 255 K C 1.495 178.083 176.600 -0.020 0.000 1.052 255 K CA 1.149 57.449 56.287 0.021 0.000 0.945 255 K CB 0.074 32.589 32.500 0.025 0.000 0.722 255 K HN 0.189 nan 8.250 nan 0.000 0.443 256 D N 0.487 120.845 120.400 -0.071 0.000 2.277 256 D HA -0.082 4.558 4.640 -0.001 0.000 0.208 256 D C 1.622 177.812 176.300 -0.183 0.000 0.962 256 D CA 0.618 54.562 54.000 -0.093 0.000 0.865 256 D CB 0.219 40.971 40.800 -0.081 0.000 0.939 256 D HN 0.142 nan 8.370 nan 0.000 0.510 257 L N -0.590 120.426 121.223 -0.344 0.000 2.270 257 L HA 0.037 4.377 4.340 -0.001 0.000 0.210 257 L C -0.214 176.185 176.870 -0.786 0.000 1.104 257 L CA 0.695 55.140 54.840 -0.658 0.000 0.804 257 L CB 0.241 41.695 42.059 -1.008 0.000 0.937 257 L HN -0.143 nan 8.230 nan 0.000 0.450 258 F N -0.733 119.185 119.950 -0.053 0.000 2.810 258 F HA 0.290 4.817 4.527 -0.001 0.000 0.373 258 F C -0.048 175.740 175.800 -0.020 0.000 1.174 258 F CA -1.454 56.527 58.000 -0.032 0.000 1.141 258 F CB -0.070 38.912 39.000 -0.030 0.000 1.420 258 F HN -0.222 nan 8.300 nan 0.000 0.518 259 N N 2.294 121.061 118.700 0.111 0.000 2.206 259 N HA 0.119 4.858 4.740 -0.001 0.000 0.283 259 N C -0.685 174.878 175.510 0.089 0.000 1.385 259 N CA 0.403 53.498 53.050 0.074 0.000 1.002 259 N CB 0.240 38.758 38.487 0.052 0.000 1.423 259 N HN 0.470 nan 8.380 nan 0.000 0.488 260 V N 1.899 121.864 119.914 0.086 0.000 3.023 260 V HA 0.410 4.529 4.120 -0.001 0.000 0.294 260 V C -1.172 174.956 176.094 0.056 0.000 1.324 260 V CA -0.577 61.765 62.300 0.069 0.000 0.979 260 V CB 2.057 33.922 31.823 0.069 0.000 1.093 260 V HN 0.736 nan 8.190 nan 0.000 0.434 261 D N 4.649 125.072 120.400 0.039 0.000 4.515 261 D HA 0.468 5.107 4.640 -0.001 0.000 0.237 261 D C 0.492 176.775 176.300 -0.029 0.000 1.726 261 D CA 0.621 54.635 54.000 0.023 0.000 1.128 261 D CB 1.415 42.250 40.800 0.059 0.000 1.677 261 D HN 0.755 nan 8.370 nan 0.000 0.603 262 A N -0.480 122.293 122.820 -0.078 0.000 1.995 262 A HA 0.329 4.649 4.320 -0.001 0.000 0.200 262 A C 1.443 178.875 177.584 -0.253 0.000 1.566 262 A CA -0.133 51.765 52.037 -0.233 0.000 0.895 262 A CB -0.566 18.180 19.000 -0.423 0.000 1.046 262 A HN 0.243 nan 8.150 nan 0.000 0.523 263 F N 0.779 120.734 119.950 0.008 0.000 2.795 263 F HA 0.198 4.725 4.527 -0.001 0.000 0.303 263 F C 1.878 177.682 175.800 0.007 0.000 1.186 263 F CA 1.031 59.035 58.000 0.007 0.000 1.415 263 F CB 0.198 39.202 39.000 0.006 0.000 1.106 263 F HN 0.226 nan 8.300 nan 0.000 0.558 264 K N -0.178 120.293 120.400 0.118 0.000 2.353 264 K HA 0.100 4.420 4.320 -0.001 0.000 0.206 264 K C 1.772 178.396 176.600 0.040 0.000 1.191 264 K CA 0.121 56.457 56.287 0.080 0.000 0.897 264 K CB -0.144 32.399 32.500 0.071 0.000 1.283 264 K HN 0.183 nan 8.250 nan 0.000 0.477 265 L N 1.953 123.183 121.223 0.012 0.000 2.291 265 L HA 0.018 4.358 4.340 -0.001 0.000 0.214 265 L C 1.122 177.984 176.870 -0.013 0.000 1.120 265 L CA 1.709 56.546 54.840 -0.005 0.000 0.799 265 L CB 0.126 42.173 42.059 -0.020 0.000 0.925 265 L HN 0.220 nan 8.230 nan 0.000 0.446 266 E N -2.445 117.743 120.200 -0.020 0.000 2.490 266 E HA 0.044 4.394 4.350 -0.001 0.000 0.209 266 E C 1.788 178.396 176.600 0.013 0.000 0.971 266 E CA 0.435 56.823 56.400 -0.020 0.000 0.988 266 E CB 0.503 30.170 29.700 -0.055 0.000 1.029 266 E HN 0.313 nan 8.360 nan 0.000 0.496 267 S N 0.742 116.467 115.700 0.043 0.000 2.481 267 S HA -0.035 4.435 4.470 -0.001 0.000 0.231 267 S C 1.627 176.252 174.600 0.042 0.000 0.996 267 S CA 0.427 58.667 58.200 0.067 0.000 0.942 267 S CB 0.165 63.428 63.200 0.104 0.000 0.768 267 S HN 0.111 nan 8.310 nan 0.000 0.520 268 L N 0.907 122.147 121.223 0.029 0.000 2.556 268 L HA 0.439 4.779 4.340 -0.001 0.000 0.226 268 L C 1.868 178.745 176.870 0.012 0.000 1.089 268 L CA 0.756 55.607 54.840 0.020 0.000 0.864 268 L CB -0.055 42.014 42.059 0.017 0.000 1.067 268 L HN 0.133 nan 8.230 nan 0.000 0.477 269 E N -0.344 119.861 120.200 0.008 0.000 2.158 269 E HA 0.002 4.352 4.350 -0.001 0.000 0.191 269 E C 2.002 178.604 176.600 0.005 0.000 0.982 269 E CA 1.133 57.534 56.400 0.002 0.000 0.823 269 E CB 0.125 29.821 29.700 -0.006 0.000 0.766 269 E HN 0.408 nan 8.360 nan 0.000 0.468 270 A N 0.026 122.852 122.820 0.011 0.000 2.147 270 A HA 0.084 4.403 4.320 -0.001 0.000 0.211 270 A C 1.932 179.524 177.584 0.013 0.000 1.160 270 A CA 0.662 52.706 52.037 0.012 0.000 0.781 270 A CB -0.195 18.816 19.000 0.018 0.000 0.842 270 A HN 0.133 nan 8.150 nan 0.000 0.475 271 K N -0.077 120.332 120.400 0.015 0.000 2.076 271 K HA -0.086 4.234 4.320 -0.001 0.000 0.204 271 K C 1.371 177.977 176.600 0.010 0.000 1.051 271 K CA 1.334 57.629 56.287 0.014 0.000 0.949 271 K CB -0.139 32.371 32.500 0.017 0.000 0.726 271 K HN 0.302 nan 8.250 nan 0.000 0.443 272 N N 0.884 119.589 118.700 0.008 0.000 2.331 272 N HA -0.078 4.662 4.740 -0.001 0.000 0.180 272 N C 1.460 176.972 175.510 0.004 0.000 1.019 272 N CA 0.768 53.821 53.050 0.005 0.000 0.881 272 N CB 0.032 38.521 38.487 0.003 0.000 0.972 272 N HN 0.175 nan 8.380 nan 0.000 0.435 273 R N -0.213 120.290 120.500 0.004 0.000 2.275 273 R HA 0.199 4.539 4.340 -0.001 0.000 0.199 273 R C 1.532 177.834 176.300 0.005 0.000 0.989 273 R CA 0.510 56.612 56.100 0.003 0.000 1.016 273 R CB 0.139 30.441 30.300 0.003 0.000 0.918 273 R HN 0.140 nan 8.270 nan 0.000 0.473 274 A N 0.662 123.485 122.820 0.006 0.000 1.903 274 A HA -0.069 4.251 4.320 -0.001 0.000 0.213 274 A C 1.828 179.415 177.584 0.005 0.000 1.185 274 A CA 0.701 52.742 52.037 0.006 0.000 0.628 274 A CB -0.128 18.877 19.000 0.008 0.000 0.830 274 A HN 0.315 nan 8.150 nan 0.000 0.446 275 L N -1.995 119.231 121.223 0.005 0.000 2.418 275 L HA 0.273 4.612 4.340 -0.001 0.000 0.218 275 L C 1.133 178.005 176.870 0.003 0.000 1.125 275 L CA 1.640 56.482 54.840 0.004 0.000 0.835 275 L CB -1.082 40.980 42.059 0.004 0.000 0.953 275 L HN 0.065 nan 8.230 nan 0.000 0.454 276 N N 0.903 119.605 118.700 0.002 0.000 2.354 276 N HA -0.089 4.650 4.740 -0.001 0.000 0.179 276 N C 1.549 177.059 175.510 0.001 0.000 1.021 276 N CA 1.143 54.194 53.050 0.001 0.000 0.887 276 N CB -0.121 38.366 38.487 0.001 0.000 0.974 276 N HN 0.572 nan 8.380 nan 0.000 0.437 277 E N -0.251 119.950 120.200 0.002 0.000 2.481 277 E HA -0.062 4.287 4.350 -0.001 0.000 0.195 277 E C 1.461 178.063 176.600 0.002 0.000 1.047 277 E CA 0.171 56.572 56.400 0.002 0.000 0.867 277 E CB 0.190 29.891 29.700 0.002 0.000 0.858 277 E HN 0.426 nan 8.360 nan 0.000 0.513 278 Q N 0.369 120.170 119.800 0.002 0.000 2.259 278 Q HA 0.024 4.363 4.340 -0.001 0.000 0.201 278 Q C 2.009 178.010 176.000 0.002 0.000 0.938 278 Q CA 0.350 56.155 55.803 0.002 0.000 0.872 278 Q CB 0.329 29.069 28.738 0.003 0.000 0.971 278 Q HN 0.285 nan 8.270 nan 0.000 0.494 279 I N 0.880 121.450 120.570 0.001 0.000 2.614 279 I HA -0.174 3.996 4.170 -0.001 0.000 0.258 279 I C 2.145 178.263 176.117 0.001 0.000 1.189 279 I CA 0.820 62.121 61.300 0.001 0.000 1.462 279 I CB -0.143 37.858 38.000 0.001 0.000 1.092 279 I HN 0.215 nan 8.210 nan 0.000 0.442 280 A N 0.738 123.559 122.820 0.001 0.000 1.970 280 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 280 A C 2.402 179.986 177.584 0.001 0.000 1.170 280 A CA 0.958 52.995 52.037 0.000 0.000 0.645 280 A CB -0.403 18.597 19.000 0.000 0.000 0.816 280 A HN 0.361 nan 8.150 nan 0.000 0.447 281 R N -1.031 119.469 120.500 0.001 0.000 2.153 281 R HA 0.055 4.394 4.340 -0.001 0.000 0.218 281 R C 1.652 177.953 176.300 0.001 0.000 1.072 281 R CA 1.144 57.245 56.100 0.001 0.000 0.990 281 R CB -0.208 30.093 30.300 0.002 0.000 0.889 281 R HN 0.383 nan 8.270 nan 0.000 0.452 282 L N 0.693 121.916 121.223 0.001 0.000 2.354 282 L HA 0.140 4.480 4.340 -0.001 0.000 0.212 282 L C 1.445 178.315 176.870 0.000 0.000 1.091 282 L CA 1.410 56.251 54.840 0.001 0.000 0.828 282 L CB 0.169 42.229 42.059 0.001 0.000 0.973 282 L HN 0.123 nan 8.230 nan 0.000 0.461 283 E N -1.174 119.026 120.200 0.000 0.000 2.427 283 E HA -0.193 4.156 4.350 -0.001 0.000 0.196 283 E C 1.670 178.270 176.600 -0.000 0.000 1.028 283 E CA 0.190 56.590 56.400 -0.000 0.000 0.864 283 E CB 0.245 29.945 29.700 -0.000 0.000 0.813 283 E HN 0.359 nan 8.360 nan 0.000 0.514 284 Q N 0.804 120.604 119.800 0.000 0.000 2.245 284 Q HA -0.130 4.210 4.340 -0.001 0.000 0.201 284 Q C 1.286 177.286 176.000 0.000 0.000 0.955 284 Q CA 1.176 56.978 55.803 0.000 0.000 0.870 284 Q CB 0.257 28.995 28.738 0.000 0.000 0.945 284 Q HN 0.095 nan 8.270 nan 0.000 0.461 285 E N -0.542 119.658 120.200 0.000 0.000 2.107 285 E HA -0.025 4.325 4.350 -0.001 0.000 0.191 285 E C 0.354 176.954 176.600 0.000 0.000 0.982 285 E CA 0.465 56.865 56.400 0.000 0.000 0.809 285 E CB 0.138 29.838 29.700 0.001 0.000 0.756 285 E HN 0.110 nan 8.360 nan 0.000 0.459 1119 T N 1.319 115.873 114.554 -0.000 0.000 2.896 1119 T HA 0.326 4.675 4.350 -0.001 0.000 0.263 1119 T C 1.737 176.436 174.700 -0.000 0.000 1.050 1119 T CA 1.724 63.823 62.100 -0.000 0.000 1.140 1119 T CB -0.323 68.545 68.868 0.000 0.000 0.877 1119 T HN 0.515 nan 8.240 nan 0.000 0.457 1120 A N 1.362 124.182 122.820 -0.000 0.000 1.874 1120 A HA 0.042 4.361 4.320 -0.001 0.000 0.214 1120 A C 2.049 179.633 177.584 -0.001 0.000 1.189 1120 A CA 1.452 53.489 52.037 -0.000 0.000 0.615 1120 A CB -0.690 18.311 19.000 0.000 0.000 0.830 1120 A HN 0.514 nan 8.150 nan 0.000 0.443 1121 N N -0.124 118.575 118.700 -0.001 0.000 2.443 1121 N HA -0.075 4.664 4.740 -0.001 0.000 0.184 1121 N C 1.482 176.991 175.510 -0.002 0.000 1.037 1121 N CA 1.201 54.250 53.050 -0.002 0.000 0.896 1121 N CB -0.048 38.438 38.487 -0.002 0.000 0.959 1121 N HN 0.544 nan 8.380 nan 0.000 0.442 1122 K N -0.532 119.867 120.400 -0.001 0.000 2.276 1122 K HA 0.257 4.577 4.320 -0.001 0.000 0.198 1122 K C 1.798 178.398 176.600 -0.001 0.000 1.052 1122 K CA 0.497 56.783 56.287 -0.002 0.000 0.984 1122 K CB 0.238 32.737 32.500 -0.001 0.000 0.836 1122 K HN 0.087 nan 8.250 nan 0.000 0.490 1123 A N 1.761 124.581 122.820 -0.001 0.000 1.968 1123 A HA -0.134 4.186 4.320 -0.001 0.000 0.217 1123 A C 1.600 179.184 177.584 -0.000 0.000 1.169 1123 A CA 1.505 53.542 52.037 -0.000 0.000 0.638 1123 A CB -0.485 18.515 19.000 0.000 0.000 0.812 1123 A HN 0.276 nan 8.150 nan 0.000 0.446 1124 N N -0.024 118.676 118.700 -0.000 0.000 2.207 1124 N HA 0.083 4.823 4.740 -0.001 0.000 0.182 1124 N C 1.863 177.372 175.510 -0.001 0.000 1.020 1124 N CA 0.941 53.990 53.050 -0.001 0.000 0.858 1124 N CB -0.225 38.262 38.487 -0.001 0.000 0.991 1124 N HN 0.426 nan 8.380 nan 0.000 0.427 1125 A N 1.133 123.952 122.820 -0.002 0.000 1.972 1125 A HA -0.159 4.161 4.320 -0.001 0.000 0.219 1125 A C 1.955 179.537 177.584 -0.002 0.000 1.169 1125 A CA 1.273 53.308 52.037 -0.003 0.000 0.635 1125 A CB -0.352 18.646 19.000 -0.003 0.000 0.810 1125 A HN 0.273 nan 8.150 nan 0.000 0.446 1126 E N -0.856 119.344 120.200 -0.001 0.000 2.077 1126 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 1126 E C 2.328 178.929 176.600 0.000 0.000 0.989 1126 E CA 1.091 57.490 56.400 -0.001 0.000 0.800 1126 E CB -0.119 29.581 29.700 -0.000 0.000 0.746 1126 E HN 0.598 nan 8.360 nan 0.000 0.452 1127 R N 0.627 121.128 120.500 0.001 0.000 2.092 1127 R HA -0.082 4.258 4.340 -0.001 0.000 0.231 1127 R C 2.422 178.723 176.300 0.001 0.000 1.119 1127 R CA 0.695 56.797 56.100 0.002 0.000 0.970 1127 R CB -0.143 30.158 30.300 0.002 0.000 0.864 1127 R HN 0.183 nan 8.270 nan 0.000 0.440 1128 L N 0.843 122.065 121.223 -0.001 0.000 2.109 1128 L HA -0.103 4.236 4.340 -0.001 0.000 0.207 1128 L C 2.303 179.171 176.870 -0.002 0.000 1.086 1128 L CA 1.439 56.277 54.840 -0.002 0.000 0.760 1128 L CB -0.138 41.919 42.059 -0.004 0.000 0.910 1128 L HN 0.094 nan 8.230 nan 0.000 0.437 1129 K N -0.528 119.870 120.400 -0.002 0.000 2.366 1129 K HA -0.144 4.176 4.320 -0.001 0.000 0.198 1129 K C 2.206 178.807 176.600 0.001 0.000 1.044 1129 K CA 0.460 56.745 56.287 -0.002 0.000 0.973 1129 K CB 0.148 32.647 32.500 -0.003 0.000 0.767 1129 K HN 0.262 nan 8.250 nan 0.000 0.475 1130 R N 0.654 121.156 120.500 0.003 0.000 2.062 1130 R HA -0.056 4.284 4.340 -0.001 0.000 0.229 1130 R C 2.121 178.429 176.300 0.012 0.000 1.128 1130 R CA 1.282 57.386 56.100 0.006 0.000 0.960 1130 R CB -0.122 30.182 30.300 0.006 0.000 0.855 1130 R HN 0.159 nan 8.270 nan 0.000 0.432 1131 L N -0.329 120.902 121.223 0.013 0.000 2.492 1131 L HA 0.120 4.460 4.340 -0.001 0.000 0.223 1131 L C 2.212 179.095 176.870 0.022 0.000 1.132 1131 L CA 0.393 55.246 54.840 0.022 0.000 0.850 1131 L CB -0.330 41.739 42.059 0.017 0.000 0.966 1131 L HN 0.064 nan 8.230 nan 0.000 0.454 1132 Q N 1.452 121.259 119.800 0.010 0.000 2.083 1132 Q HA -0.136 4.204 4.340 -0.001 0.000 0.198 1132 Q C 2.123 178.130 176.000 0.012 0.000 0.969 1132 Q CA 1.639 57.446 55.803 0.006 0.000 0.838 1132 Q CB 0.022 28.759 28.738 -0.002 0.000 0.900 1132 Q HN 0.433 nan 8.270 nan 0.000 0.436 1133 K N -0.319 120.087 120.400 0.009 0.000 2.009 1133 K HA -0.128 4.192 4.320 -0.001 0.000 0.210 1133 K C 2.108 178.714 176.600 0.009 0.000 1.049 1133 K CA 1.660 57.949 56.287 0.004 0.000 0.929 1133 K CB -0.339 32.160 32.500 -0.002 0.000 0.714 1133 K HN 0.319 nan 8.250 nan 0.000 0.440 1134 S N 0.009 115.726 115.700 0.028 0.000 2.562 1134 S HA 0.091 4.560 4.470 -0.001 0.000 0.221 1134 S C 1.883 176.579 174.600 0.160 0.000 0.975 1134 S CA 0.527 58.755 58.200 0.047 0.000 0.918 1134 S CB 0.210 63.451 63.200 0.068 0.000 0.772 1134 S HN 0.279 nan 8.310 nan 0.000 0.531 1135 A N 1.939 124.832 122.820 0.122 0.000 1.903 1135 A HA 0.080 4.399 4.320 -0.001 0.000 0.213 1135 A C 1.836 179.479 177.584 0.097 0.000 1.185 1135 A CA 1.157 53.273 52.037 0.131 0.000 0.628 1135 A CB -0.589 18.438 19.000 0.044 0.000 0.830 1135 A HN 0.499 nan 8.150 nan 0.000 0.446 1136 D N -0.306 120.121 120.400 0.045 0.000 2.219 1136 D HA -0.089 4.551 4.640 -0.001 0.000 0.205 1136 D C 1.696 178.004 176.300 0.013 0.000 0.970 1136 D CA 0.693 54.705 54.000 0.020 0.000 0.851 1136 D CB -0.181 40.621 40.800 0.002 0.000 0.943 1136 D HN 0.317 nan 8.370 nan 0.000 0.488 1137 L N -0.560 120.660 121.223 -0.005 0.000 2.044 1137 L HA -0.105 4.235 4.340 -0.001 0.000 0.205 1137 L C 2.004 178.821 176.870 -0.089 0.000 1.075 1137 L CA 1.389 56.182 54.840 -0.079 0.000 0.747 1137 L CB -0.543 41.422 42.059 -0.157 0.000 0.903 1137 L HN 0.038 nan 8.230 nan 0.000 0.435 1138 Y N -0.146 120.148 120.300 -0.010 0.000 2.181 1138 Y HA -0.320 4.230 4.550 -0.001 0.000 0.288 1138 Y C 2.664 178.557 175.900 -0.012 0.000 1.146 1138 Y CA 1.971 60.066 58.100 -0.008 0.000 1.164 1138 Y CB -0.269 38.183 38.460 -0.013 0.000 0.982 1138 Y HN 0.162 nan 8.280 nan 0.000 0.515 1139 K N 0.264 120.743 120.400 0.132 0.000 2.103 1139 K HA -0.220 4.099 4.320 -0.001 0.000 0.207 1139 K C 1.247 177.871 176.600 0.040 0.000 1.048 1139 K CA 2.146 58.465 56.287 0.054 0.000 0.930 1139 K CB -0.125 32.387 32.500 0.019 0.000 0.716 1139 K HN 0.207 nan 8.250 nan 0.000 0.444 1140 D N -0.163 120.254 120.400 0.029 0.000 2.110 1140 D HA -0.048 4.592 4.640 -0.001 0.000 0.202 1140 D C 2.061 178.376 176.300 0.024 0.000 0.975 1140 D CA 1.110 55.120 54.000 0.017 0.000 0.839 1140 D CB 0.084 40.883 40.800 -0.001 0.000 0.996 1140 D HN 0.115 nan 8.370 nan 0.000 0.464 1141 R N -0.073 120.435 120.500 0.014 0.000 2.066 1141 R HA 0.088 4.428 4.340 -0.001 0.000 0.232 1141 R C 2.284 178.619 176.300 0.058 0.000 1.131 1141 R CA 0.696 56.806 56.100 0.017 0.000 0.955 1141 R CB -0.348 29.937 30.300 -0.025 0.000 0.851 1141 R HN 0.180 nan 8.270 nan 0.000 0.432 1142 L N -0.578 120.702 121.223 0.095 0.000 2.395 1142 L HA 0.171 4.511 4.340 -0.001 0.000 0.218 1142 L C 0.965 177.916 176.870 0.135 0.000 1.130 1142 L CA 0.490 55.408 54.840 0.130 0.000 0.826 1142 L CB -0.324 41.834 42.059 0.165 0.000 0.941 1142 L HN 0.503 nan 8.230 nan 0.000 0.451 1143 G N 1.429 110.288 108.800 0.098 0.000 2.295 1143 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.287 1143 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.287 1143 G C -0.171 174.779 174.900 0.083 0.000 1.055 1143 G CA 0.234 45.393 45.100 0.099 0.000 0.922 1143 G HN 0.239 nan 8.290 nan 0.000 0.503 1144 L N -0.059 121.166 121.223 0.003 0.000 2.441 1144 L HA 0.653 4.993 4.340 -0.001 0.000 0.270 1144 L C -0.421 176.372 176.870 -0.129 0.000 0.973 1144 L CA -0.616 54.124 54.840 -0.166 0.000 0.842 1144 L CB 1.716 43.620 42.059 -0.258 0.000 1.239 1144 L HN 0.347 nan 8.230 nan 0.000 0.406 1145 E N 6.193 126.298 120.200 -0.157 0.000 2.156 1145 E HA 0.430 4.780 4.350 -0.001 0.000 0.279 1145 E C -0.758 175.713 176.600 -0.216 0.000 0.965 1145 E CA -0.666 55.650 56.400 -0.139 0.000 0.789 1145 E CB 1.270 30.907 29.700 -0.106 0.000 1.098 1145 E HN 0.640 nan 8.360 nan 0.000 0.397 1146 I N 2.846 123.269 120.570 -0.244 0.000 2.405 1146 I HA 0.457 4.627 4.170 -0.001 0.000 0.280 1146 I C -0.597 175.319 176.117 -0.335 0.000 1.027 1146 I CA -1.030 60.016 61.300 -0.424 0.000 1.161 1146 I CB 0.988 38.678 38.000 -0.516 0.000 1.300 1146 I HN 0.369 nan 8.210 nan 0.000 0.463 1147 R N 4.756 125.068 120.500 -0.314 0.000 2.229 1147 R HA 0.372 4.711 4.340 -0.001 0.000 0.332 1147 R C -0.076 176.111 176.300 -0.188 0.000 0.989 1147 R CA -0.857 55.123 56.100 -0.200 0.000 0.842 1147 R CB 1.825 32.044 30.300 -0.136 0.000 1.119 1147 R HN 0.532 nan 8.270 nan 0.000 0.456 1148 K N 3.728 124.044 120.400 -0.140 0.000 2.627 1148 K HA 0.138 4.458 4.320 -0.001 0.000 0.212 1148 K C -0.161 176.436 176.600 -0.006 0.000 1.041 1148 K CA -0.302 55.932 56.287 -0.089 0.000 1.205 1148 K CB -0.113 32.335 32.500 -0.087 0.000 0.936 1148 K HN 0.742 nan 8.250 nan 0.000 0.489 1149 I N 1.828 122.413 120.570 0.025 0.000 2.347 1149 I HA 0.023 4.193 4.170 -0.001 0.000 0.294 1149 I C -1.127 175.187 176.117 0.328 0.000 1.090 1149 I CA 0.099 61.453 61.300 0.090 0.000 1.314 1149 I CB -0.264 37.742 38.000 0.011 0.000 1.423 1149 I HN 0.397 nan 8.210 nan 0.000 0.503 1150 Y N 4.139 124.419 120.300 -0.033 0.000 2.701 1150 Y HA -0.108 4.441 4.550 -0.001 0.000 0.025 1150 Y C 0.618 176.508 175.900 -0.017 0.000 1.999 1150 Y CA -0.314 57.771 58.100 -0.024 0.000 1.297 1150 Y CB -1.513 36.932 38.460 -0.025 0.000 1.968 1150 Y HN 0.643 nan 8.280 nan 0.000 0.270 1151 G N 2.704 111.448 108.800 -0.093 0.000 2.717 1151 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.224 1151 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.224 1151 G C 0.979 175.724 174.900 -0.259 0.000 1.088 1151 G CA 1.530 46.543 45.100 -0.145 0.000 0.734 1151 G HN 0.917 nan 8.290 nan 0.000 0.616 1152 E N -0.141 119.730 120.200 -0.549 0.000 2.001 1152 E HA 0.004 4.354 4.350 -0.001 0.000 0.193 1152 E C 0.883 177.263 176.600 -0.367 0.000 0.994 1152 E CA 0.930 56.993 56.400 -0.562 0.000 0.815 1152 E CB 0.062 29.250 29.700 -0.854 0.000 0.770 1152 E HN 0.419 nan 8.360 nan 0.000 0.453 1153 K N -0.654 119.507 120.400 -0.398 0.000 2.439 1153 K HA 0.459 4.778 4.320 -0.001 0.000 0.260 1153 K C -1.006 175.619 176.600 0.042 0.000 1.032 1153 K CA -0.814 55.456 56.287 -0.028 0.000 0.882 1153 K CB 1.646 34.207 32.500 0.102 0.000 1.420 1153 K HN -0.003 nan 8.250 nan 0.000 0.455 1154 L N 1.066 122.352 121.223 0.105 0.000 2.358 1154 L HA 0.400 4.740 4.340 -0.001 0.000 0.268 1154 L C -0.484 176.365 176.870 -0.035 0.000 1.032 1154 L CA -0.533 54.306 54.840 -0.002 0.000 0.805 1154 L CB 1.556 43.609 42.059 -0.010 0.000 1.253 1154 L HN 0.438 nan 8.230 nan 0.000 0.452 1155 Q N 1.255 120.896 119.800 -0.265 0.000 2.305 1155 Q HA 0.445 4.785 4.340 -0.001 0.000 0.271 1155 Q C -1.871 173.790 176.000 -0.566 0.000 1.046 1155 Q CA -0.510 55.135 55.803 -0.264 0.000 0.798 1155 Q CB 2.544 31.211 28.738 -0.118 0.000 1.286 1155 Q HN 0.352 nan 8.270 nan 0.000 0.435 1156 F N 3.103 122.809 119.950 -0.407 0.000 2.449 1156 F HA 0.501 5.028 4.527 -0.000 0.000 0.342 1156 F C -0.304 175.298 175.800 -0.331 0.000 1.127 1156 F CA -0.689 57.032 58.000 -0.465 0.000 0.975 1156 F CB 1.107 39.662 39.000 -0.742 0.000 1.146 1156 F HN 0.336 nan 8.300 nan 0.000 0.444 1157 I N 4.465 124.948 120.570 -0.144 0.000 2.411 1157 I HA 0.305 4.475 4.170 -0.001 0.000 0.284 1157 I C -0.725 175.315 176.117 -0.128 0.000 1.012 1157 I CA -0.388 60.866 61.300 -0.076 0.000 1.119 1157 I CB 0.604 38.566 38.000 -0.062 0.000 1.261 1157 I HN 0.297 nan 8.210 nan 0.000 0.448 1158 F N 3.538 123.537 119.950 0.082 0.000 2.389 1158 F HA 0.391 4.917 4.527 -0.001 0.000 0.337 1158 F C 1.599 177.447 175.800 0.080 0.000 1.112 1158 F CA 0.106 58.153 58.000 0.078 0.000 1.192 1158 F CB 1.457 40.493 39.000 0.060 0.000 1.185 1158 F HN 0.603 nan 8.300 nan 0.000 0.552 1159 T N -2.446 112.267 114.554 0.264 0.000 3.057 1159 T HA 0.099 4.448 4.350 -0.001 0.000 0.254 1159 T C 0.679 175.478 174.700 0.164 0.000 0.965 1159 T CA -0.096 62.112 62.100 0.181 0.000 0.978 1159 T CB -0.094 68.831 68.868 0.095 0.000 1.169 1159 T HN 0.338 nan 8.240 nan 0.000 0.489 1160 N N 2.171 120.957 118.700 0.144 0.000 3.259 1160 N HA 0.276 5.016 4.740 -0.001 0.000 0.308 1160 N C 0.328 175.861 175.510 0.037 0.000 1.334 1160 N CA -0.003 53.100 53.050 0.088 0.000 1.202 1160 N CB 0.393 38.924 38.487 0.074 0.000 1.485 1160 N HN 0.471 nan 8.380 nan 0.000 0.549 1161 I N -0.922 119.662 120.570 0.023 0.000 3.132 1161 I HA 0.041 4.211 4.170 -0.001 0.000 0.255 1161 I C 0.760 176.831 176.117 -0.076 0.000 1.118 1161 I CA 0.361 61.571 61.300 -0.151 0.000 1.463 1161 I CB -0.871 36.775 38.000 -0.591 0.000 1.356 1161 I HN 0.052 nan 8.210 nan 0.000 0.463 1162 D N 3.642 124.088 120.400 0.076 0.000 2.342 1162 D HA 0.060 4.700 4.640 -0.001 0.000 0.260 1162 D C -1.784 174.550 176.300 0.057 0.000 1.278 1162 D CA -1.863 52.194 54.000 0.096 0.000 0.910 1162 D CB 1.594 42.502 40.800 0.181 0.000 1.079 1162 D HN -0.042 nan 8.370 nan 0.000 0.496 1163 P HA -0.127 nan 4.420 nan 0.000 0.221 1163 P C 0.857 178.176 177.300 0.033 0.000 1.145 1163 P CA 1.043 64.158 63.100 0.025 0.000 0.795 1163 P CB 0.278 31.987 31.700 0.016 0.000 0.775 1164 K N -1.926 118.500 120.400 0.043 0.000 2.314 1164 K HA 0.074 4.394 4.320 -0.001 0.000 0.198 1164 K C 0.548 177.174 176.600 0.043 0.000 1.045 1164 K CA 0.582 56.894 56.287 0.041 0.000 0.988 1164 K CB -0.162 32.365 32.500 0.045 0.000 0.783 1164 K HN 0.097 nan 8.250 nan 0.000 0.484 1165 N N 0.721 119.454 118.700 0.056 0.000 2.653 1165 N HA 0.156 4.896 4.740 -0.001 0.000 0.261 1165 N C -2.653 172.899 175.510 0.071 0.000 1.216 1165 N CA -1.563 51.521 53.050 0.056 0.000 0.784 1165 N CB 1.520 40.040 38.487 0.055 0.000 1.327 1165 N HN -0.236 nan 8.380 nan 0.000 0.539 1166 P HA 0.098 nan 4.420 nan 0.000 0.245 1166 P C 0.556 177.895 177.300 0.066 0.000 1.212 1166 P CA 0.613 63.752 63.100 0.065 0.000 0.774 1166 P CB 0.641 32.368 31.700 0.046 0.000 0.999 1167 E N -0.030 120.201 120.200 0.051 0.000 2.102 1167 E HA 0.006 4.356 4.350 -0.001 0.000 0.190 1167 E C 0.822 177.438 176.600 0.026 0.000 0.971 1167 E CA 0.502 56.922 56.400 0.033 0.000 0.821 1167 E CB -0.754 28.955 29.700 0.015 0.000 0.777 1167 E HN 0.270 nan 8.360 nan 0.000 0.460 1168 S N 3.822 119.535 115.700 0.022 0.000 2.546 1168 S HA 0.132 4.602 4.470 -0.001 0.000 0.290 1168 S C -2.174 172.389 174.600 -0.062 0.000 1.290 1168 S CA -1.076 57.094 58.200 -0.049 0.000 1.069 1168 S CB 0.236 63.381 63.200 -0.092 0.000 0.846 1168 S HN -0.072 nan 8.310 nan 0.000 0.495 1169 P HA 0.429 nan 4.420 nan 0.000 0.284 1169 P C -1.269 175.809 177.300 -0.370 0.000 1.253 1169 P CA -0.582 62.446 63.100 -0.120 0.000 0.800 1169 P CB 0.312 31.953 31.700 -0.098 0.000 0.961 1170 F N 3.016 122.833 119.950 -0.222 0.000 2.445 1170 F HA 0.473 5.000 4.527 -0.000 0.000 0.348 1170 F C 0.615 176.177 175.800 -0.397 0.000 1.125 1170 F CA -0.489 57.146 58.000 -0.609 0.000 0.983 1170 F CB 1.375 39.679 39.000 -1.160 0.000 1.198 1170 F HN 0.146 nan 8.300 nan 0.000 0.436 1171 M N 4.214 123.820 119.600 0.010 0.000 2.386 1171 M HA 0.752 5.232 4.480 -0.001 0.000 0.293 1171 M C -1.614 175.028 176.300 0.569 0.000 1.120 1171 M CA -0.851 54.612 55.300 0.271 0.000 0.909 1171 M CB 2.591 35.253 32.600 0.103 0.000 1.661 1171 M HN 0.431 nan 8.290 nan 0.000 0.452 1172 F N -0.579 119.669 119.950 0.497 0.000 2.588 1172 F HA 0.940 5.467 4.527 -0.001 0.000 0.314 1172 F C -1.201 174.847 175.800 0.413 0.000 1.069 1172 F CA -0.743 57.517 58.000 0.435 0.000 0.931 1172 F CB 1.733 40.984 39.000 0.417 0.000 1.260 1172 F HN 0.616 nan 8.300 nan 0.000 0.465 1173 S N 3.021 118.977 115.700 0.428 0.000 2.568 1173 S HA 0.864 5.334 4.470 -0.001 0.000 0.302 1173 S C -0.921 173.976 174.600 0.495 0.000 1.082 1173 S CA -0.793 57.609 58.200 0.337 0.000 1.009 1173 S CB 1.761 65.130 63.200 0.282 0.000 1.069 1173 S HN 0.940 nan 8.310 nan 0.000 0.500 1174 L N 1.587 123.086 121.223 0.459 0.000 2.466 1174 L HA 0.775 5.115 4.340 -0.001 0.000 0.258 1174 L C -1.048 176.041 176.870 0.366 0.000 0.973 1174 L CA -0.762 54.337 54.840 0.431 0.000 0.826 1174 L CB 2.134 44.517 42.059 0.541 0.000 1.372 1174 L HN 0.932 nan 8.230 nan 0.000 0.409 1175 H N 2.084 121.303 119.070 0.248 0.000 2.959 1175 H HA 0.815 5.371 4.556 -0.000 0.000 0.296 1175 H C -1.573 173.876 175.328 0.203 0.000 1.421 1175 H CA -0.569 55.587 56.048 0.180 0.000 1.206 1175 H CB 2.055 31.881 29.762 0.107 0.000 1.891 1175 H HN 0.964 nan 8.280 nan 0.000 0.573 1176 L N -1.270 120.143 121.223 0.317 0.000 2.502 1176 L HA 0.579 4.918 4.340 -0.001 0.000 0.253 1176 L C -0.716 176.319 176.870 0.275 0.000 1.070 1176 L CA -0.876 54.103 54.840 0.232 0.000 0.871 1176 L CB 2.474 44.601 42.059 0.114 0.000 1.487 1176 L HN 0.797 nan 8.230 nan 0.000 0.408 1177 N N -1.309 117.517 118.700 0.210 0.000 2.406 1177 N HA 0.116 4.855 4.740 -0.001 0.000 0.271 1177 N C 0.688 176.256 175.510 0.096 0.000 0.917 1177 N CA 0.231 53.375 53.050 0.156 0.000 0.905 1177 N CB 0.864 39.461 38.487 0.184 0.000 1.767 1177 N HN 0.701 nan 8.380 nan 0.000 0.863 1178 E N 1.116 121.369 120.200 0.089 0.000 2.905 1178 E HA 0.497 4.847 4.350 -0.001 0.000 0.197 1178 E C -0.032 176.569 176.600 0.002 0.000 1.016 1178 E CA 0.510 56.935 56.400 0.042 0.000 1.307 1178 E CB 0.298 30.023 29.700 0.042 0.000 1.255 1178 E HN 0.465 nan 8.360 nan 0.000 0.527 1179 A N 1.644 124.444 122.820 -0.033 0.000 2.401 1179 A HA 0.254 4.574 4.320 -0.001 0.000 0.259 1179 A C 0.976 178.484 177.584 -0.127 0.000 1.103 1179 A CA 0.057 52.023 52.037 -0.119 0.000 0.789 1179 A CB 0.221 19.087 19.000 -0.224 0.000 1.035 1179 A HN 0.299 nan 8.150 nan 0.000 0.491 1180 R N 1.250 121.682 120.500 -0.113 0.000 2.316 1180 R HA -0.043 4.297 4.340 -0.001 0.000 0.202 1180 R C -0.872 175.366 176.300 -0.103 0.000 1.029 1180 R CA 1.254 57.312 56.100 -0.069 0.000 1.018 1180 R CB -0.067 30.205 30.300 -0.045 0.000 0.888 1180 R HN 0.645 nan 8.270 nan 0.000 0.471 1181 D N -0.192 120.071 120.400 -0.228 0.000 2.421 1181 D HA 0.141 4.781 4.640 -0.001 0.000 0.254 1181 D C -1.485 174.596 176.300 -0.365 0.000 1.238 1181 D CA -0.638 53.215 54.000 -0.244 0.000 0.919 1181 D CB 0.318 40.941 40.800 -0.294 0.000 1.152 1181 D HN 0.031 nan 8.370 nan 0.000 0.552 1182 Y N 0.677 120.854 120.300 -0.205 0.000 2.409 1182 Y HA 0.370 4.920 4.550 -0.000 0.000 0.343 1182 Y C 0.501 176.271 175.900 -0.218 0.000 0.973 1182 Y CA -1.076 56.863 58.100 -0.267 0.000 1.064 1182 Y CB 1.990 40.162 38.460 -0.481 0.000 1.207 1182 Y HN 0.353 nan 8.280 nan 0.000 0.452 1183 E N 0.781 121.058 120.200 0.128 0.000 2.280 1183 E HA 0.602 4.952 4.350 -0.001 0.000 0.261 1183 E C -0.668 176.059 176.600 0.211 0.000 1.088 1183 E CA -0.586 55.947 56.400 0.221 0.000 0.915 1183 E CB 1.875 31.731 29.700 0.260 0.000 1.141 1183 E HN 0.374 nan 8.360 nan 0.000 0.433 1184 V N 0.045 120.136 119.914 0.295 0.000 4.454 1184 V HA 0.230 4.350 4.120 -0.001 0.000 0.159 1184 V C -0.121 176.120 176.094 0.245 0.000 1.262 1184 V CA 0.549 63.014 62.300 0.276 0.000 1.223 1184 V CB 0.234 32.280 31.823 0.372 0.000 1.452 1184 V HN 0.654 nan 8.190 nan 0.000 0.595 1185 S N 1.348 117.212 115.700 0.273 0.000 2.617 1185 S HA 0.374 4.844 4.470 -0.001 0.000 0.269 1185 S C 0.213 174.995 174.600 0.304 0.000 1.292 1185 S CA 0.559 58.906 58.200 0.244 0.000 1.010 1185 S CB 1.548 64.881 63.200 0.221 0.000 0.944 1185 S HN 0.745 nan 8.310 nan 0.000 0.536 1186 D N 0.093 120.655 120.400 0.270 0.000 2.680 1186 D HA 0.061 4.701 4.640 -0.001 0.000 0.295 1186 D C 0.254 176.783 176.300 0.382 0.000 1.097 1186 D CA 0.900 55.088 54.000 0.314 0.000 0.952 1186 D CB 0.103 41.027 40.800 0.208 0.000 1.491 1186 D HN 0.519 nan 8.370 nan 0.000 0.486 1187 S N 0.255 116.117 115.700 0.269 0.000 3.711 1187 S HA 0.055 4.524 4.470 -0.001 0.000 0.374 1187 S C 0.232 175.034 174.600 0.336 0.000 0.969 1187 S CA 1.278 59.619 58.200 0.235 0.000 1.198 1187 S CB -2.296 61.013 63.200 0.181 0.000 0.903 1187 S HN 1.509 nan 8.310 nan 0.000 0.493 1194 L N -0.377 120.722 121.223 -0.207 0.000 2.919 1194 L HA 0.619 4.959 4.340 -0.001 0.000 0.242 1194 L C 1.552 178.335 176.870 -0.145 0.000 1.366 1194 L CA 0.009 54.701 54.840 -0.246 0.000 1.212 1194 L CB 0.375 42.402 42.059 -0.052 0.000 1.604 1194 L HN 0.247 nan 8.230 nan 0.000 0.433 1195 A N -0.757 121.959 122.820 -0.172 0.000 2.021 1195 A HA -0.014 4.306 4.320 -0.001 0.000 0.216 1195 A C 2.211 179.706 177.584 -0.148 0.000 1.163 1195 A CA 0.483 52.455 52.037 -0.109 0.000 0.676 1195 A CB -0.016 18.933 19.000 -0.086 0.000 0.818 1195 A HN 0.536 nan 8.150 nan 0.000 0.453 1196 E N -0.029 120.004 120.200 -0.278 0.000 1.997 1196 E HA -0.145 4.204 4.350 -0.001 0.000 0.196 1196 E C 1.656 178.160 176.600 -0.160 0.000 0.990 1196 E CA 1.256 57.471 56.400 -0.309 0.000 0.845 1196 E CB -0.532 28.810 29.700 -0.597 0.000 0.795 1196 E HN 0.530 nan 8.360 nan 0.000 0.479 1197 F N 1.804 121.744 119.950 -0.016 0.000 2.184 1197 F HA -0.248 4.278 4.527 -0.001 0.000 0.301 1197 F C 2.608 178.433 175.800 0.041 0.000 1.076 1197 F CA 1.639 59.676 58.000 0.062 0.000 1.295 1197 F CB -1.341 37.721 39.000 0.103 0.000 1.026 1197 F HN 0.285 nan 8.300 nan 0.000 0.494 1198 Q N 0.553 120.421 119.800 0.113 0.000 2.170 1198 Q HA -0.232 4.108 4.340 -0.001 0.000 0.203 1198 Q C 1.971 177.872 176.000 -0.164 0.000 0.976 1198 Q CA 1.850 57.593 55.803 -0.100 0.000 0.858 1198 Q CB -0.823 27.875 28.738 -0.065 0.000 0.907 1198 Q HN 0.604 nan 8.270 nan 0.000 0.433 1199 E N 0.511 120.654 120.200 -0.095 0.000 2.274 1199 E HA -0.153 4.197 4.350 -0.001 0.000 0.194 1199 E C 0.902 177.445 176.600 -0.095 0.000 0.996 1199 E CA 1.037 57.376 56.400 -0.101 0.000 0.840 1199 E CB 0.138 29.794 29.700 -0.073 0.000 0.772 1199 E HN 0.525 nan 8.360 nan 0.000 0.491 1200 N N -0.181 118.484 118.700 -0.058 0.000 2.300 1200 N HA -0.109 4.631 4.740 -0.001 0.000 0.179 1200 N C 1.729 177.155 175.510 -0.140 0.000 1.016 1200 N CA 1.179 54.204 53.050 -0.042 0.000 0.876 1200 N CB -0.094 38.435 38.487 0.070 0.000 0.979 1200 N HN 0.057 nan 8.380 nan 0.000 0.432 1201 V N 0.416 120.163 119.914 -0.280 0.000 2.591 1201 V HA -0.030 4.090 4.120 -0.001 0.000 0.249 1201 V C 2.808 178.700 176.094 -0.336 0.000 1.053 1201 V CA 1.840 63.876 62.300 -0.441 0.000 1.068 1201 V CB -1.251 30.063 31.823 -0.847 0.000 0.689 1201 V HN 0.340 nan 8.190 nan 0.000 0.462 1202 R N 0.980 121.315 120.500 -0.275 0.000 2.091 1202 R HA -0.148 4.191 4.340 -0.001 0.000 0.238 1202 R C 2.278 178.481 176.300 -0.161 0.000 1.136 1202 R CA 2.189 58.160 56.100 -0.216 0.000 0.959 1202 R CB -0.936 29.249 30.300 -0.192 0.000 0.856 1202 R HN 0.614 nan 8.270 nan 0.000 0.437 1203 K N -0.868 119.450 120.400 -0.137 0.000 2.228 1203 K HA -0.010 4.309 4.320 -0.001 0.000 0.202 1203 K C -0.380 176.164 176.600 -0.095 0.000 1.051 1203 K CA 1.397 57.625 56.287 -0.098 0.000 0.960 1203 K CB 0.322 32.778 32.500 -0.074 0.000 0.743 1203 K HN 0.473 nan 8.250 nan 0.000 0.458 1204 T N 0.129 114.611 114.554 -0.119 0.000 3.041 1204 T HA 0.138 4.488 4.350 -0.001 0.000 0.321 1204 T C -0.828 173.780 174.700 -0.154 0.000 1.184 1204 T CA -0.762 61.275 62.100 -0.105 0.000 1.050 1204 T CB 1.501 70.327 68.868 -0.069 0.000 1.159 1204 T HN -0.077 nan 8.240 nan 0.000 0.469 1205 N N 2.393 121.014 118.700 -0.131 0.000 2.715 1205 N HA 0.024 4.763 4.740 -0.001 0.000 0.254 1205 N C 0.122 175.569 175.510 -0.104 0.000 1.306 1205 N CA 0.049 53.002 53.050 -0.162 0.000 0.956 1205 N CB -0.473 37.966 38.487 -0.080 0.000 1.296 1205 N HN 0.525 nan 8.380 nan 0.000 0.512 1206 N N 0.015 118.653 118.700 -0.104 0.000 2.868 1206 N HA 0.076 4.815 4.740 -0.001 0.000 0.252 1206 N C 0.538 176.076 175.510 0.047 0.000 1.130 1206 N CA -0.190 52.857 53.050 -0.005 0.000 1.026 1206 N CB 0.026 38.514 38.487 0.002 0.000 1.335 1206 N HN 0.179 nan 8.380 nan 0.000 0.516 1207 F N 0.721 120.714 119.950 0.073 0.000 2.216 1207 F HA -0.214 4.313 4.527 -0.001 0.000 0.300 1207 F C 2.490 178.376 175.800 0.143 0.000 1.085 1207 F CA 0.719 58.804 58.000 0.141 0.000 1.326 1207 F CB 0.244 39.322 39.000 0.129 0.000 1.027 1207 F HN 0.431 nan 8.300 nan 0.000 0.497 1208 S N 0.106 115.976 115.700 0.284 0.000 2.378 1208 S HA -0.311 4.159 4.470 -0.001 0.000 0.221 1208 S C 2.325 177.000 174.600 0.125 0.000 1.037 1208 S CA 1.439 59.741 58.200 0.171 0.000 1.069 1208 S CB -0.873 62.393 63.200 0.111 0.000 1.006 1208 S HN 0.423 nan 8.310 nan 0.000 0.423 1209 A N 0.595 123.468 122.820 0.089 0.000 1.948 1209 A HA -0.159 4.160 4.320 -0.001 0.000 0.220 1209 A C 1.919 179.511 177.584 0.014 0.000 1.177 1209 A CA 1.863 53.917 52.037 0.028 0.000 0.636 1209 A CB -0.995 18.015 19.000 0.017 0.000 0.815 1209 A HN 0.568 nan 8.150 nan 0.000 0.449 1210 F N -0.018 119.891 119.950 -0.070 0.000 2.010 1210 F HA -0.210 4.317 4.527 -0.001 0.000 0.296 1210 F C 1.958 177.687 175.800 -0.118 0.000 1.146 1210 F CA 1.980 59.909 58.000 -0.117 0.000 1.181 1210 F CB -0.236 38.713 39.000 -0.084 0.000 0.965 1210 F HN 0.170 nan 8.300 nan 0.000 0.480 1211 L N 0.608 121.738 121.223 -0.155 0.000 2.083 1211 L HA -0.166 4.174 4.340 -0.001 0.000 0.209 1211 L C 2.704 179.517 176.870 -0.095 0.000 1.083 1211 L CA 1.657 56.416 54.840 -0.135 0.000 0.752 1211 L CB -1.347 40.804 42.059 0.154 0.000 0.899 1211 L HN 0.309 nan 8.230 nan 0.000 0.433 1212 A N -0.244 122.536 122.820 -0.065 0.000 1.865 1212 A HA -0.258 4.061 4.320 -0.001 0.000 0.217 1212 A C 2.204 179.639 177.584 -0.249 0.000 1.191 1212 A CA 2.172 54.151 52.037 -0.096 0.000 0.623 1212 A CB -0.722 18.246 19.000 -0.053 0.000 0.826 1212 A HN 0.530 nan 8.150 nan 0.000 0.444 1213 N N -0.020 118.466 118.700 -0.355 0.000 2.120 1213 N HA -0.122 4.618 4.740 -0.001 0.000 0.188 1213 N C 1.816 176.887 175.510 -0.732 0.000 1.024 1213 N CA 1.612 54.329 53.050 -0.554 0.000 0.852 1213 N CB -0.412 37.656 38.487 -0.699 0.000 1.003 1213 N HN 0.265 nan 8.380 nan 0.000 0.424 1214 V N 1.854 121.290 119.914 -0.797 0.000 2.282 1214 V HA -0.269 3.851 4.120 -0.001 0.000 0.249 1214 V C 2.610 178.350 176.094 -0.590 0.000 1.057 1214 V CA 1.693 63.531 62.300 -0.771 0.000 1.032 1214 V CB -0.532 30.825 31.823 -0.778 0.000 0.645 1214 V HN 0.319 nan 8.190 nan 0.000 0.447 1215 R N 0.097 120.250 120.500 -0.579 0.000 2.083 1215 R HA -0.205 4.135 4.340 -0.001 0.000 0.237 1215 R C 2.429 178.465 176.300 -0.439 0.000 1.137 1215 R CA 1.919 57.576 56.100 -0.738 0.000 0.951 1215 R CB -0.229 29.642 30.300 -0.715 0.000 0.851 1215 R HN 0.482 nan 8.270 nan 0.000 0.434 1216 K N -0.185 120.004 120.400 -0.353 0.000 2.063 1216 K HA -0.137 4.183 4.320 -0.001 0.000 0.208 1216 K C 2.132 178.592 176.600 -0.233 0.000 1.048 1216 K CA 1.427 57.560 56.287 -0.256 0.000 0.928 1216 K CB -0.196 32.173 32.500 -0.218 0.000 0.713 1216 K HN 0.257 nan 8.250 nan 0.000 0.442 1217 A N 1.133 123.784 122.820 -0.283 0.000 1.883 1217 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 1217 A C 2.028 179.500 177.584 -0.187 0.000 1.186 1217 A CA 1.285 53.202 52.037 -0.200 0.000 0.624 1217 A CB -0.904 17.998 19.000 -0.164 0.000 0.822 1217 A HN 0.244 nan 8.150 nan 0.000 0.444 1218 F N 0.152 119.943 119.950 -0.266 0.000 2.126 1218 F HA -0.209 4.318 4.527 -0.001 0.000 0.299 1218 F C 2.864 178.372 175.800 -0.486 0.000 1.096 1218 F CA 1.544 59.343 58.000 -0.336 0.000 1.255 1218 F CB -0.356 38.374 39.000 -0.449 0.000 0.997 1218 F HN 0.172 nan 8.300 nan 0.000 0.479 1219 T N -0.375 114.026 114.554 -0.254 0.000 2.788 1219 T HA -0.199 4.150 4.350 -0.001 0.000 0.268 1219 T C 2.082 176.669 174.700 -0.187 0.000 1.044 1219 T CA 1.170 63.107 62.100 -0.271 0.000 1.139 1219 T CB -0.431 68.303 68.868 -0.223 0.000 0.867 1219 T HN 0.333 nan 8.240 nan 0.000 0.454 1220 A N 0.867 123.595 122.820 -0.154 0.000 1.930 1220 A HA -0.097 4.223 4.320 -0.001 0.000 0.217 1220 A C 2.508 179.945 177.584 -0.246 0.000 1.175 1220 A CA 2.051 54.007 52.037 -0.135 0.000 0.627 1220 A CB -1.246 17.699 19.000 -0.092 0.000 0.815 1220 A HN 0.454 nan 8.150 nan 0.000 0.443 1221 T N -0.092 114.343 114.554 -0.199 0.000 2.565 1221 T HA -0.156 4.193 4.350 -0.001 0.000 0.265 1221 T C 1.023 175.475 174.700 -0.413 0.000 1.082 1221 T CA 1.857 63.830 62.100 -0.213 0.000 1.173 1221 T CB -0.449 68.479 68.868 0.100 0.000 0.864 1221 T HN 0.169 nan 8.240 nan 0.000 0.425 1222 V N 1.952 121.761 119.914 -0.176 0.000 2.224 1222 V HA 0.206 4.326 4.120 -0.001 0.000 0.289 1222 V C -0.170 175.895 176.094 -0.048 0.000 1.518 1222 V CA -0.549 61.695 62.300 -0.093 0.000 1.533 1222 V CB -1.920 29.992 31.823 0.148 0.000 1.460 1222 V HN 0.575 nan 8.190 nan 0.000 0.515 1223 Y N 0.789 121.118 120.300 0.047 0.000 3.445 1223 Y HA -0.365 4.185 4.550 -0.001 0.000 0.215 1223 Y C 1.366 177.274 175.900 0.013 0.000 1.112 1223 Y CA 0.940 59.055 58.100 0.026 0.000 1.337 1223 Y CB -2.042 36.436 38.460 0.029 0.000 1.328 1223 Y HN 0.730 nan 8.280 nan 0.000 0.618 1224 Q N 0.000 119.843 119.800 0.072 0.000 2.315 1224 Q HA 0.000 4.340 4.340 -0.001 0.000 0.214 1224 Q CA 0.000 55.827 55.803 0.040 0.000 1.022 1224 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 1224 Q HN 0.000 nan 8.270 nan 0.000 0.481