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 1ado_1_A DATA FIRST_RESID 1 DATA SEQUENCE PHSHPALTPE QKKELSDIAH RIVAPGKGIL AADESTGSIA KRLQSIGTEN DATA SEQUENCE TEENRRFYRQ LLLTADDRVN PCIGGVILFH ETLYQKADDG RPFPQVIKSK DATA SEQUENCE GGVVGIKVDK GVVPLAGTNG ETTTQGLDGL SERCAQYKKD GADFAKWRCV DATA SEQUENCE LKIGEHTPSA LAIMENANVL ARYASICQQN GIVPIVEPEI LPDGDHDLKR DATA SEQUENCE CQYVTEKVLA AVYKALSDHH IYLEGTLLKP NMVTPGHACT QKYSHEEIAM DATA SEQUENCE ATVTALRRTV PPAVTGVTFL SGGQSEEEAS INLNAINKCP LLKPWALTFS DATA SEQUENCE YGRALQASAL KAWGGKKENL KAAQEEYVKR ALANSLACQG KYTSSGQAGA DATA SEQUENCE AASESLFISN HAY 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 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.138 177.300 -0.270 0.000 1.155 1 P CA 0.000 63.060 63.100 -0.066 0.000 0.800 1 P CB 0.000 31.708 31.700 0.014 0.000 0.726 2 H N -0.191 118.903 119.070 0.040 0.000 2.667 2 H HA 0.344 nan 4.556 nan 0.000 0.353 2 H C -0.420 174.882 175.328 -0.042 0.000 1.072 2 H CA -0.040 56.005 56.048 -0.005 0.000 1.214 2 H CB 2.543 32.327 29.762 0.036 0.000 1.600 2 H HN 0.114 8.495 8.280 0.168 0.000 0.527 3 S N 1.067 116.725 115.700 -0.070 0.000 2.525 3 S HA 0.090 nan 4.470 nan 0.000 0.278 3 S C -0.667 173.703 174.600 -0.383 0.000 1.234 3 S CA 0.006 58.115 58.200 -0.152 0.000 1.058 3 S CB 0.619 63.749 63.200 -0.117 0.000 0.983 3 S HN 0.251 8.514 8.310 -0.079 0.000 0.495 4 H N 4.972 123.980 119.070 -0.105 0.000 2.651 4 H HA 0.265 nan 4.556 nan 0.000 0.252 4 H C -2.197 173.069 175.328 -0.104 0.000 1.365 4 H CA -1.670 54.328 56.048 -0.084 0.000 1.539 4 H CB 0.114 29.828 29.762 -0.080 0.000 1.621 4 H HN 0.120 8.356 8.280 -0.073 0.000 0.526 5 P HA -0.187 nan 4.420 nan 0.000 0.252 5 P C -0.465 176.822 177.300 -0.021 0.000 1.136 5 P CA 0.462 63.541 63.100 -0.036 0.000 0.778 5 P CB 0.507 32.183 31.700 -0.040 0.000 0.722 6 A N 2.972 125.778 122.820 -0.024 0.000 2.014 6 A HA -0.158 nan 4.320 nan 0.000 0.218 6 A C -1.235 176.337 177.584 -0.020 0.000 1.163 6 A CA 1.241 53.276 52.037 -0.003 0.000 0.652 6 A CB 0.602 19.623 19.000 0.035 0.000 0.808 6 A HN 0.471 8.603 8.150 -0.031 0.000 0.449 7 L N -4.372 116.819 121.223 -0.052 0.000 2.393 7 L HA 0.211 nan 4.340 nan 0.000 0.260 7 L C -0.702 176.106 176.870 -0.103 0.000 1.002 7 L CA -1.355 53.432 54.840 -0.089 0.000 0.818 7 L CB 4.143 46.108 42.059 -0.157 0.000 1.369 7 L HN -0.655 7.511 8.230 -0.056 0.030 0.412 8 T N -3.259 111.239 114.554 -0.094 0.000 2.902 8 T HA 0.545 nan 4.350 nan 0.000 0.280 8 T C -0.665 173.968 174.700 -0.111 0.000 0.992 8 T CA -3.028 59.023 62.100 -0.082 0.000 1.015 8 T CB 0.269 69.105 68.868 -0.054 0.000 1.044 8 T HN 0.066 8.534 8.240 -0.083 -0.278 0.520 9 P HA -0.226 nan 4.420 nan 0.000 0.216 9 P C 1.736 178.990 177.300 -0.078 0.000 1.150 9 P CA 2.969 66.017 63.100 -0.086 0.000 0.843 9 P CB 0.022 31.692 31.700 -0.051 0.000 0.787 10 E N -2.902 117.263 120.200 -0.058 0.000 2.072 10 E HA -0.247 nan 4.350 nan 0.000 0.191 10 E C 2.643 179.216 176.600 -0.046 0.000 0.985 10 E CA 3.615 59.991 56.400 -0.040 0.000 0.801 10 E CB -0.902 28.782 29.700 -0.027 0.000 0.750 10 E HN 0.547 8.858 8.360 -0.054 0.016 0.452 11 Q N -0.508 119.251 119.800 -0.067 0.000 2.079 11 Q HA -0.312 nan 4.340 nan 0.000 0.200 11 Q C 2.500 178.440 176.000 -0.100 0.000 0.974 11 Q CA 3.141 58.903 55.803 -0.067 0.000 0.840 11 Q CB -0.040 28.654 28.738 -0.074 0.000 0.898 11 Q HN -0.510 7.629 8.270 -0.074 0.087 0.430 12 K N -0.366 119.902 120.400 -0.221 0.000 2.026 12 K HA -0.376 nan 4.320 nan 0.000 0.208 12 K C 2.354 178.931 176.600 -0.039 0.000 1.048 12 K CA 3.465 59.508 56.287 -0.407 0.000 0.929 12 K CB -0.287 31.790 32.500 -0.704 0.000 0.713 12 K HN -0.035 8.082 8.250 -0.221 0.000 0.439 13 K N -1.015 119.371 120.400 -0.023 0.000 2.020 13 K HA -0.347 nan 4.320 nan 0.000 0.212 13 K C 2.140 178.777 176.600 0.062 0.000 1.050 13 K CA 3.161 59.470 56.287 0.038 0.000 0.929 13 K CB -0.401 32.103 32.500 0.006 0.000 0.714 13 K HN -0.187 8.020 8.250 -0.071 0.000 0.443 14 E N -0.657 119.567 120.200 0.040 0.000 2.058 14 E HA -0.294 nan 4.350 nan 0.000 0.194 14 E C 2.509 179.160 176.600 0.085 0.000 0.997 14 E CA 3.214 59.644 56.400 0.051 0.000 0.801 14 E CB -0.071 29.648 29.700 0.032 0.000 0.746 14 E HN -0.553 7.815 8.360 0.012 0.000 0.450 15 L N -1.786 119.503 121.223 0.110 0.000 2.046 15 L HA -0.364 nan 4.340 nan 0.000 0.208 15 L C 2.206 179.187 176.870 0.185 0.000 1.077 15 L CA 3.032 57.963 54.840 0.153 0.000 0.747 15 L CB -0.208 41.976 42.059 0.209 0.000 0.896 15 L HN -0.214 8.067 8.230 0.085 0.000 0.432 16 S N -0.803 115.050 115.700 0.255 0.000 2.368 16 S HA -0.334 nan 4.470 nan 0.000 0.225 16 S C 2.285 177.054 174.600 0.280 0.000 1.030 16 S CA 3.956 62.325 58.200 0.283 0.000 0.999 16 S CB -0.271 63.109 63.200 0.300 0.000 0.844 16 S HN 0.309 8.781 8.310 0.271 0.000 0.459 17 D N 2.444 122.939 120.400 0.158 0.000 2.117 17 D HA -0.272 nan 4.640 nan 0.000 0.197 17 D C 2.439 178.801 176.300 0.105 0.000 0.987 17 D CA 3.475 57.538 54.000 0.105 0.000 0.829 17 D CB -0.323 40.511 40.800 0.056 0.000 0.961 17 D HN 0.026 8.474 8.370 0.131 0.000 0.460 18 I N -0.498 120.124 120.570 0.087 0.000 2.179 18 I HA -0.520 nan 4.170 nan 0.000 0.242 18 I C 1.658 177.775 176.117 0.001 0.000 1.088 18 I CA 3.897 65.229 61.300 0.053 0.000 1.357 18 I CB -0.251 37.792 38.000 0.071 0.000 1.051 18 I HN -0.194 8.074 8.210 0.095 0.000 0.409 19 A N -1.002 121.816 122.820 -0.002 0.000 1.908 19 A HA -0.392 nan 4.320 nan 0.000 0.218 19 A C 2.050 179.532 177.584 -0.170 0.000 1.181 19 A CA 3.255 55.221 52.037 -0.119 0.000 0.627 19 A CB -0.912 18.006 19.000 -0.137 0.000 0.818 19 A HN 0.018 8.199 8.150 0.051 0.000 0.445 20 H N -1.819 117.216 119.070 -0.058 0.000 2.389 20 H HA -0.208 nan 4.556 nan 0.000 0.299 20 H C 2.543 177.829 175.328 -0.069 0.000 1.081 20 H CA 3.450 59.465 56.048 -0.056 0.000 1.345 20 H CB 0.020 29.764 29.762 -0.030 0.000 1.393 20 H HN -0.359 8.005 8.280 0.155 0.010 0.520 21 R N -1.418 119.109 120.500 0.045 0.000 2.096 21 R HA -0.267 nan 4.340 nan 0.000 0.235 21 R C 2.551 178.806 176.300 -0.075 0.000 1.127 21 R CA 3.173 59.269 56.100 -0.007 0.000 0.968 21 R CB 0.132 30.432 30.300 -0.000 0.000 0.861 21 R HN -0.507 7.718 8.270 0.064 0.084 0.440 22 I N -1.149 119.333 120.570 -0.146 0.000 2.226 22 I HA -0.366 nan 4.170 nan 0.000 0.245 22 I C 0.561 176.534 176.117 -0.241 0.000 1.100 22 I CA 3.762 64.913 61.300 -0.248 0.000 1.374 22 I CB 0.515 38.256 38.000 -0.431 0.000 1.057 22 I HN -0.556 7.572 8.210 -0.138 0.000 0.413 23 V N -9.754 110.036 119.914 -0.207 0.000 3.249 23 V HA 0.267 nan 4.120 nan 0.000 0.338 23 V C 0.034 176.062 176.094 -0.110 0.000 1.363 23 V CA -3.072 59.113 62.300 -0.191 0.000 1.205 23 V CB -1.910 29.791 31.823 -0.203 0.000 1.164 23 V HN -0.838 7.238 8.190 -0.189 0.000 0.458 24 A N 1.909 124.684 122.820 -0.076 0.000 2.507 24 A HA 0.192 nan 4.320 nan 0.000 0.235 24 A C -2.127 175.439 177.584 -0.031 0.000 1.070 24 A CA -1.452 50.569 52.037 -0.028 0.000 0.768 24 A CB -1.022 17.967 19.000 -0.018 0.000 1.011 24 A HN -0.659 7.361 8.150 -0.091 0.075 0.502 25 P HA -0.295 nan 4.420 nan 0.000 0.259 25 P C 0.082 177.383 177.300 0.002 0.000 1.163 25 P CA 2.124 65.225 63.100 0.002 0.000 0.760 25 P CB -0.425 31.281 31.700 0.010 0.000 0.762 26 G N 2.607 111.415 108.800 0.014 0.000 2.179 26 G HA2 -0.504 nan 3.960 nan 0.000 0.260 26 G HA3 -0.504 nan 3.960 nan 0.000 0.260 26 G C -0.787 174.131 174.900 0.029 0.000 0.977 26 G CA 0.215 45.336 45.100 0.035 0.000 0.641 26 G HN 0.446 8.747 8.290 0.019 0.000 0.533 27 K N 0.876 121.250 120.400 -0.043 0.000 2.156 27 K HA 0.849 nan 4.320 nan 0.000 0.250 27 K C -1.124 175.254 176.600 -0.370 0.000 0.955 27 K CA -1.345 54.868 56.287 -0.124 0.000 0.855 27 K CB 2.244 34.674 32.500 -0.118 0.000 1.101 27 K HN -0.076 8.077 8.250 -0.054 0.065 0.434 28 G N -0.440 107.971 108.800 -0.649 0.000 2.975 28 G HA2 0.813 nan 3.960 nan 0.000 0.291 28 G HA3 0.813 nan 3.960 nan 0.000 0.291 28 G C -2.766 171.658 174.900 -0.793 0.000 1.334 28 G CA -1.176 43.092 45.100 -1.387 0.000 0.843 28 G HN 0.266 8.327 8.290 -0.381 0.000 0.548 29 I N -1.336 118.810 120.570 -0.706 0.000 2.530 29 I HA 0.555 nan 4.170 nan 0.000 0.297 29 I C -2.014 174.135 176.117 0.055 0.000 1.011 29 I CA -1.224 59.954 61.300 -0.203 0.000 1.107 29 I CB 3.926 41.844 38.000 -0.137 0.000 1.285 29 I HN 0.614 8.100 8.210 -1.015 0.116 0.436 30 L N 6.525 127.827 121.223 0.132 0.000 2.255 30 L HA 0.494 nan 4.340 nan 0.000 0.289 30 L C -2.257 174.689 176.870 0.128 0.000 1.046 30 L CA -1.902 53.048 54.840 0.184 0.000 0.816 30 L CB 1.768 43.918 42.059 0.153 0.000 1.197 30 L HN 0.451 8.741 8.230 0.100 0.000 0.427 31 A N 8.086 130.995 122.820 0.148 0.000 2.391 31 A HA 0.363 nan 4.320 nan 0.000 0.316 31 A C -1.470 176.153 177.584 0.066 0.000 1.381 31 A CA -0.824 51.282 52.037 0.114 0.000 0.998 31 A CB -0.249 18.836 19.000 0.141 0.000 1.147 31 A HN 0.446 8.618 8.150 0.199 0.097 0.545 32 A N 2.602 125.434 122.820 0.020 0.000 2.701 32 A HA 0.400 nan 4.320 nan 0.000 0.297 32 A C -1.453 176.137 177.584 0.010 0.000 1.197 32 A CA -0.972 51.054 52.037 -0.017 0.000 0.963 32 A CB 0.741 19.672 19.000 -0.115 0.000 1.175 32 A HN 0.060 8.221 8.150 0.019 0.000 0.531 33 D N -2.826 117.599 120.400 0.041 0.000 2.434 33 D HA -0.082 nan 4.640 nan 0.000 0.232 33 D C -0.737 175.591 176.300 0.047 0.000 1.166 33 D CA -0.205 53.852 54.000 0.096 0.000 0.830 33 D CB -0.720 40.136 40.800 0.092 0.000 0.960 33 D HN -0.123 8.197 8.370 0.043 0.076 0.497 34 E N -0.768 119.407 120.200 -0.041 0.000 2.376 34 E HA -0.046 nan 4.350 nan 0.000 0.266 34 E C 0.008 176.324 176.600 -0.474 0.000 1.009 34 E CA 0.202 56.509 56.400 -0.154 0.000 0.902 34 E CB -0.170 29.473 29.700 -0.096 0.000 0.972 34 E HN -0.223 8.044 8.360 -0.008 0.087 0.439 35 S N 4.224 119.557 115.700 -0.611 0.000 2.617 35 S HA 0.030 nan 4.470 nan 0.000 0.259 35 S C 1.121 175.308 174.600 -0.688 0.000 1.301 35 S CA -0.485 57.000 58.200 -1.192 0.000 0.984 35 S CB 1.081 63.959 63.200 -0.538 0.000 0.954 35 S HN 0.265 8.369 8.310 -0.344 0.000 0.572 36 T N 3.527 117.742 114.554 -0.565 0.000 2.685 36 T HA -0.273 nan 4.350 nan 0.000 0.268 36 T C 2.158 176.774 174.700 -0.140 0.000 1.034 36 T CA 3.880 65.853 62.100 -0.211 0.000 1.149 36 T CB -0.648 68.191 68.868 -0.050 0.000 0.860 36 T HN 0.572 8.406 8.240 -0.677 0.000 0.449 37 G N -0.062 108.658 108.800 -0.134 0.000 2.402 37 G HA2 -0.143 nan 3.960 nan 0.000 0.216 37 G HA3 -0.143 nan 3.960 nan 0.000 0.216 37 G C 1.408 176.252 174.900 -0.094 0.000 1.162 37 G CA 1.696 46.743 45.100 -0.088 0.000 0.777 37 G HN 0.114 8.299 8.290 -0.156 0.012 0.539 38 S N 2.475 118.099 115.700 -0.127 0.000 2.355 38 S HA -0.227 nan 4.470 nan 0.000 0.222 38 S C 1.987 176.534 174.600 -0.089 0.000 1.031 38 S CA 3.799 61.936 58.200 -0.104 0.000 0.993 38 S CB -0.055 63.075 63.200 -0.116 0.000 0.859 38 S HN -0.880 7.250 8.310 -0.172 0.078 0.453 39 I N 0.860 121.366 120.570 -0.106 0.000 2.676 39 I HA -0.278 nan 4.170 nan 0.000 0.259 39 I C 0.368 176.452 176.117 -0.055 0.000 1.194 39 I CA 1.701 62.959 61.300 -0.070 0.000 1.473 39 I CB -0.311 37.657 38.000 -0.052 0.000 1.096 39 I HN 0.036 8.154 8.210 -0.155 0.000 0.443 40 A N 0.373 123.160 122.820 -0.055 0.000 1.883 40 A HA -0.389 nan 4.320 nan 0.000 0.217 40 A C 1.511 179.070 177.584 -0.042 0.000 1.186 40 A CA 3.911 55.925 52.037 -0.038 0.000 0.624 40 A CB -1.044 17.933 19.000 -0.037 0.000 0.822 40 A HN -0.335 7.741 8.150 -0.072 0.031 0.444 41 K N -2.269 118.102 120.400 -0.049 0.000 2.148 41 K HA -0.302 nan 4.320 nan 0.000 0.204 41 K C 2.754 179.323 176.600 -0.051 0.000 1.050 41 K CA 3.313 59.571 56.287 -0.049 0.000 0.942 41 K CB -0.483 31.986 32.500 -0.051 0.000 0.724 41 K HN -0.451 7.766 8.250 -0.053 0.000 0.446 42 R N -0.960 119.507 120.500 -0.056 0.000 2.066 42 R HA -0.224 nan 4.340 nan 0.000 0.232 42 R C 2.802 179.057 176.300 -0.074 0.000 1.131 42 R CA 2.131 58.191 56.100 -0.067 0.000 0.955 42 R CB -0.724 29.525 30.300 -0.086 0.000 0.851 42 R HN -0.708 7.409 8.270 -0.056 0.119 0.432 43 L N -0.532 120.652 121.223 -0.066 0.000 2.093 43 L HA -0.344 nan 4.340 nan 0.000 0.208 43 L C 2.230 179.063 176.870 -0.062 0.000 1.085 43 L CA 2.968 57.777 54.840 -0.052 0.000 0.755 43 L CB -0.850 41.203 42.059 -0.010 0.000 0.904 43 L HN 0.327 8.522 8.230 -0.059 0.000 0.435 44 Q N -1.162 118.608 119.800 -0.051 0.000 2.124 44 Q HA -0.292 nan 4.340 nan 0.000 0.202 44 Q C 3.083 179.054 176.000 -0.048 0.000 0.977 44 Q CA 3.050 58.825 55.803 -0.048 0.000 0.850 44 Q CB -0.593 28.121 28.738 -0.040 0.000 0.901 44 Q HN 0.383 8.625 8.270 -0.046 0.000 0.429 45 S N 0.744 116.416 115.700 -0.047 0.000 2.419 45 S HA -0.219 nan 4.470 nan 0.000 0.233 45 S C 0.724 175.300 174.600 -0.040 0.000 1.016 45 S CA 3.213 61.390 58.200 -0.039 0.000 0.974 45 S CB -0.069 63.110 63.200 -0.035 0.000 0.786 45 S HN -0.201 8.079 8.310 -0.049 0.000 0.492 46 I N -5.804 114.730 120.570 -0.060 0.000 3.874 46 I HA 0.520 nan 4.170 nan 0.000 0.331 46 I C -0.162 175.884 176.117 -0.119 0.000 1.489 46 I CA -1.407 59.843 61.300 -0.084 0.000 1.187 46 I CB -1.120 36.819 38.000 -0.102 0.000 1.150 46 I HN -0.935 7.110 8.210 -0.066 0.125 0.412 47 G N 0.903 109.652 108.800 -0.085 0.000 2.269 47 G HA2 -0.521 nan 3.960 nan 0.000 0.277 47 G HA3 -0.521 nan 3.960 nan 0.000 0.277 47 G C -0.385 174.442 174.900 -0.123 0.000 1.008 47 G CA 1.022 46.070 45.100 -0.086 0.000 0.774 47 G HN -0.123 7.953 8.290 -0.062 0.177 0.511 48 T N 0.431 114.898 114.554 -0.145 0.000 2.895 48 T HA 0.108 nan 4.350 nan 0.000 0.283 48 T C -1.064 173.586 174.700 -0.083 0.000 1.014 48 T CA -0.563 61.438 62.100 -0.164 0.000 1.037 48 T CB 2.028 70.726 68.868 -0.284 0.000 1.006 48 T HN -0.322 7.802 8.240 -0.132 0.037 0.468 49 E N 3.568 123.732 120.200 -0.060 0.000 2.354 49 E HA -0.135 nan 4.350 nan 0.000 0.269 49 E C -0.713 175.894 176.600 0.011 0.000 1.036 49 E CA 0.122 56.508 56.400 -0.023 0.000 0.876 49 E CB 1.253 30.942 29.700 -0.018 0.000 1.009 49 E HN 0.139 8.453 8.360 -0.077 0.000 0.416 50 N N 5.892 124.601 118.700 0.015 0.000 2.807 50 N HA 0.040 nan 4.740 nan 0.000 0.259 50 N C -1.147 174.393 175.510 0.051 0.000 1.149 50 N CA -0.736 52.336 53.050 0.036 0.000 1.042 50 N CB -0.239 38.258 38.487 0.016 0.000 1.367 50 N HN 0.155 8.537 8.380 0.003 0.000 0.516 51 T N 0.644 115.243 114.554 0.075 0.000 2.949 51 T HA 0.394 nan 4.350 nan 0.000 0.287 51 T C 0.517 175.284 174.700 0.111 0.000 1.034 51 T CA -2.277 59.870 62.100 0.079 0.000 1.018 51 T CB 2.891 71.800 68.868 0.069 0.000 1.135 51 T HN -0.573 7.722 8.240 0.093 0.000 0.532 52 E N 0.822 121.086 120.200 0.107 0.000 2.110 52 E HA -0.368 nan 4.350 nan 0.000 0.193 52 E C 1.927 178.621 176.600 0.157 0.000 0.988 52 E CA 3.737 60.215 56.400 0.131 0.000 0.804 52 E CB 0.008 29.777 29.700 0.114 0.000 0.745 52 E HN 0.394 8.808 8.360 0.089 0.000 0.458 53 E N -1.097 119.188 120.200 0.143 0.000 2.072 53 E HA -0.261 nan 4.350 nan 0.000 0.191 53 E C 2.401 179.147 176.600 0.244 0.000 0.985 53 E CA 2.885 59.387 56.400 0.170 0.000 0.801 53 E CB -0.725 29.049 29.700 0.123 0.000 0.750 53 E HN 0.328 8.747 8.360 0.116 0.011 0.452 54 N N -0.587 118.252 118.700 0.232 0.000 2.166 54 N HA -0.260 nan 4.740 nan 0.000 0.186 54 N C 2.697 178.436 175.510 0.382 0.000 1.019 54 N CA 2.905 56.162 53.050 0.345 0.000 0.856 54 N CB -0.318 38.338 38.487 0.282 0.000 0.993 54 N HN -0.460 8.025 8.380 0.175 0.000 0.426 55 R N 0.221 120.885 120.500 0.274 0.000 2.073 55 R HA -0.263 nan 4.340 nan 0.000 0.229 55 R C 2.204 178.652 176.300 0.246 0.000 1.120 55 R CA 3.550 59.799 56.100 0.248 0.000 0.967 55 R CB -0.105 30.308 30.300 0.189 0.000 0.862 55 R HN 0.113 8.510 8.270 0.226 0.009 0.436 56 R N -0.201 120.461 120.500 0.271 0.000 2.081 56 R HA -0.295 nan 4.340 nan 0.000 0.235 56 R C 2.222 178.697 176.300 0.292 0.000 1.131 56 R CA 3.443 59.738 56.100 0.325 0.000 0.960 56 R CB -0.115 30.352 30.300 0.279 0.000 0.856 56 R HN 0.099 8.347 8.270 0.256 0.175 0.436 57 F N 0.796 120.828 119.950 0.136 0.000 2.075 57 F HA -0.383 nan 4.527 nan 0.000 0.297 57 F C 1.415 177.124 175.800 -0.152 0.000 1.113 57 F CA 4.006 62.038 58.000 0.054 0.000 1.218 57 F CB 0.080 39.161 39.000 0.134 0.000 0.984 57 F HN 0.318 8.767 8.300 0.428 0.108 0.472 58 Y N -0.278 119.896 120.300 -0.210 0.000 2.165 58 Y HA -0.527 nan 4.550 nan 0.000 0.286 58 Y C 1.759 177.362 175.900 -0.494 0.000 1.155 58 Y CA 3.833 61.562 58.100 -0.617 0.000 1.164 58 Y CB -0.164 38.008 38.460 -0.481 0.000 0.978 58 Y HN -0.051 8.401 8.280 0.288 0.000 0.513 59 R N -2.221 117.999 120.500 -0.466 0.000 2.081 59 R HA -0.396 nan 4.340 nan 0.000 0.235 59 R C 2.209 178.055 176.300 -0.758 0.000 1.131 59 R CA 2.333 58.061 56.100 -0.620 0.000 0.960 59 R CB -0.839 29.204 30.300 -0.427 0.000 0.856 59 R HN -0.117 8.063 8.270 -0.143 0.004 0.436 60 Q N 0.440 119.887 119.800 -0.588 0.000 2.124 60 Q HA -0.262 nan 4.340 nan 0.000 0.202 60 Q C 2.248 177.926 176.000 -0.537 0.000 0.977 60 Q CA 3.187 58.705 55.803 -0.476 0.000 0.850 60 Q CB -0.218 28.412 28.738 -0.180 0.000 0.901 60 Q HN -0.230 7.737 8.270 -0.374 0.079 0.429 61 L N -0.647 120.147 121.223 -0.714 0.000 2.013 61 L HA -0.377 nan 4.340 nan 0.000 0.212 61 L C 2.392 178.954 176.870 -0.514 0.000 1.073 61 L CA 2.962 57.409 54.840 -0.655 0.000 0.753 61 L CB -0.025 41.554 42.059 -0.799 0.000 0.890 61 L HN -0.027 7.621 8.230 -0.817 0.092 0.432 62 L N -3.243 117.573 121.223 -0.678 0.000 2.072 62 L HA -0.306 nan 4.340 nan 0.000 0.205 62 L C 2.600 179.216 176.870 -0.423 0.000 1.079 62 L CA 2.787 57.207 54.840 -0.700 0.000 0.752 62 L CB -0.071 41.411 42.059 -0.961 0.000 0.906 62 L HN -0.836 6.894 8.230 -0.834 0.000 0.436 63 L N -3.654 117.309 121.223 -0.434 0.000 2.275 63 L HA -0.313 nan 4.340 nan 0.000 0.215 63 L C 1.103 177.878 176.870 -0.158 0.000 1.119 63 L CA 2.247 56.910 54.840 -0.294 0.000 0.790 63 L CB -0.088 41.713 42.059 -0.431 0.000 0.919 63 L HN -0.190 7.703 8.230 -0.561 0.000 0.443 64 T N -9.998 104.458 114.554 -0.163 0.000 3.145 64 T HA 0.192 nan 4.350 nan 0.000 0.255 64 T C 0.845 175.516 174.700 -0.048 0.000 1.039 64 T CA -1.716 60.332 62.100 -0.085 0.000 0.928 64 T CB -0.086 68.732 68.868 -0.084 0.000 1.029 64 T HN -0.523 7.546 8.240 -0.240 0.027 0.554 65 A N 3.468 126.278 122.820 -0.016 0.000 2.507 65 A HA -0.065 nan 4.320 nan 0.000 0.235 65 A C -0.917 176.677 177.584 0.017 0.000 1.070 65 A CA 0.218 52.276 52.037 0.035 0.000 0.768 65 A CB 1.111 20.211 19.000 0.167 0.000 1.011 65 A HN -0.638 7.434 8.150 -0.022 0.065 0.502 66 D N -1.822 118.582 120.400 0.008 0.000 2.370 66 D HA -0.287 nan 4.640 nan 0.000 0.235 66 D C 1.207 177.504 176.300 -0.005 0.000 1.228 66 D CA 0.850 54.850 54.000 0.000 0.000 0.884 66 D CB 0.777 41.577 40.800 -0.000 0.000 1.201 66 D HN 0.028 8.404 8.370 0.011 0.000 0.456 67 D N 0.293 120.691 120.400 -0.004 0.000 2.322 67 D HA -0.330 nan 4.640 nan 0.000 0.210 67 D C 2.022 178.314 176.300 -0.012 0.000 0.983 67 D CA 3.211 57.208 54.000 -0.005 0.000 0.902 67 D CB -0.358 40.441 40.800 -0.002 0.000 0.905 67 D HN 0.485 8.854 8.370 -0.001 0.000 0.483 68 R N -1.393 119.095 120.500 -0.020 0.000 2.152 68 R HA -0.224 nan 4.340 nan 0.000 0.232 68 R C 1.773 178.046 176.300 -0.045 0.000 1.117 68 R CA 2.491 58.573 56.100 -0.030 0.000 0.981 68 R CB 0.011 30.290 30.300 -0.035 0.000 0.870 68 R HN -0.258 8.243 8.270 -0.019 -0.243 0.451 69 V N -7.096 112.783 119.914 -0.058 0.000 3.306 69 V HA 0.023 nan 4.120 nan 0.000 0.264 69 V C 0.819 176.898 176.094 -0.025 0.000 1.149 69 V CA 1.280 63.534 62.300 -0.077 0.000 1.143 69 V CB -0.608 31.143 31.823 -0.119 0.000 0.767 69 V HN -0.284 7.849 8.190 -0.048 0.028 0.476 70 N N 1.280 119.973 118.700 -0.011 0.000 2.021 70 N HA -0.144 nan 4.740 nan 0.000 0.198 70 N C 0.280 175.790 175.510 -0.001 0.000 1.041 70 N CA 3.643 56.693 53.050 -0.000 0.000 0.862 70 N CB -2.634 35.853 38.487 -0.000 0.000 1.048 70 N HN -0.252 7.953 8.380 -0.014 0.166 0.427 71 P HA 0.102 nan 4.420 nan 0.000 0.233 71 P C -0.281 177.023 177.300 0.007 0.000 1.167 71 P CA 1.411 64.511 63.100 -0.000 0.000 0.770 71 P CB -0.256 31.444 31.700 0.001 0.000 0.837 72 C N -2.270 117.039 119.300 0.015 0.000 2.590 72 C HA 0.055 nan 4.460 nan 0.000 0.272 72 C C -0.373 174.662 174.990 0.074 0.000 1.338 72 C CA 1.007 60.060 59.018 0.058 0.000 1.746 72 C CB 0.438 28.203 27.740 0.042 0.000 2.020 72 C HN -0.522 7.533 8.230 0.002 0.176 0.531 73 I N 0.109 120.698 120.570 0.032 0.000 2.354 73 I HA 0.141 nan 4.170 nan 0.000 0.286 73 I C 0.093 176.190 176.117 -0.033 0.000 1.007 73 I CA -1.970 59.339 61.300 0.015 0.000 1.167 73 I CB -1.093 36.950 38.000 0.071 0.000 1.320 73 I HN -0.601 7.621 8.210 0.020 0.000 0.458 74 G N 4.890 113.628 108.800 -0.104 0.000 2.603 74 G HA2 0.074 nan 3.960 nan 0.000 0.214 74 G HA3 0.074 nan 3.960 nan 0.000 0.214 74 G C -1.348 173.499 174.900 -0.089 0.000 1.140 74 G CA 0.410 45.444 45.100 -0.111 0.000 0.800 74 G HN 0.856 9.013 8.290 -0.172 0.030 0.533 75 G N -2.300 106.460 108.800 -0.066 0.000 2.673 75 G HA2 0.536 nan 3.960 nan 0.000 0.292 75 G HA3 0.536 nan 3.960 nan 0.000 0.292 75 G C -3.019 171.975 174.900 0.157 0.000 1.450 75 G CA 0.390 45.533 45.100 0.073 0.000 0.837 75 G HN -0.763 7.474 8.290 -0.089 0.000 0.505 76 V N 0.862 120.921 119.914 0.242 0.000 2.577 76 V HA 0.709 nan 4.120 nan 0.000 0.303 76 V C -1.146 174.999 176.094 0.085 0.000 1.042 76 V CA -1.270 61.106 62.300 0.128 0.000 0.872 76 V CB 2.760 34.591 31.823 0.013 0.000 0.998 76 V HN 0.215 8.589 8.190 0.307 0.000 0.423 77 I N 6.110 126.723 120.570 0.073 0.000 2.325 77 I HA 0.512 nan 4.170 nan 0.000 0.291 77 I C -0.992 175.083 176.117 -0.070 0.000 1.019 77 I CA -0.361 60.907 61.300 -0.054 0.000 1.302 77 I CB 0.154 38.180 38.000 0.044 0.000 1.401 77 I HN 0.644 8.917 8.210 0.106 0.000 0.485 78 L N 4.391 125.533 121.223 -0.135 0.000 2.322 78 L HA 0.399 nan 4.340 nan 0.000 0.269 78 L C -1.271 175.591 176.870 -0.013 0.000 1.012 78 L CA -2.157 52.638 54.840 -0.076 0.000 0.815 78 L CB 3.260 45.243 42.059 -0.126 0.000 1.295 78 L HN 0.547 8.527 8.230 -0.232 0.111 0.438 79 F N 0.026 119.930 119.950 -0.077 0.000 2.378 79 F HA 0.177 nan 4.527 nan 0.000 0.325 79 F C 0.445 176.254 175.800 0.014 0.000 1.097 79 F CA -1.443 56.545 58.000 -0.020 0.000 1.079 79 F CB 2.636 41.651 39.000 0.024 0.000 1.240 79 F HN -0.014 8.405 8.300 0.198 0.000 0.519 80 H N 6.276 124.842 119.070 -0.841 0.000 2.292 80 H HA -0.497 nan 4.556 nan 0.000 0.292 80 H C 1.211 176.484 175.328 -0.091 0.000 1.100 80 H CA 4.684 60.462 56.048 -0.451 0.000 1.238 80 H CB 0.216 29.685 29.762 -0.488 0.000 1.355 80 H HN 0.623 8.175 8.280 -1.213 0.000 0.484 81 E N -2.879 117.351 120.200 0.050 0.000 2.070 81 E HA -0.366 nan 4.350 nan 0.000 0.197 81 E C 2.248 178.978 176.600 0.217 0.000 1.004 81 E CA 3.073 59.636 56.400 0.271 0.000 0.805 81 E CB -0.267 29.694 29.700 0.435 0.000 0.744 81 E HN 0.359 8.604 8.360 -0.193 0.000 0.451 82 T N 1.309 115.994 114.554 0.219 0.000 2.867 82 T HA -0.174 nan 4.350 nan 0.000 0.268 82 T C 2.313 177.107 174.700 0.156 0.000 1.057 82 T CA 3.126 65.375 62.100 0.248 0.000 1.136 82 T CB -0.582 68.394 68.868 0.180 0.000 0.874 82 T HN -0.411 7.991 8.240 0.270 0.000 0.466 83 L N 1.061 122.215 121.223 -0.115 0.000 2.191 83 L HA -0.277 nan 4.340 nan 0.000 0.212 83 L C -0.165 176.368 176.870 -0.562 0.000 1.103 83 L CA 2.317 56.920 54.840 -0.395 0.000 0.769 83 L CB 0.026 41.671 42.059 -0.689 0.000 0.908 83 L HN -0.552 7.571 8.230 -0.133 0.026 0.438 84 Y N -5.225 115.029 120.300 -0.078 0.000 2.507 84 Y HA 0.058 nan 4.550 nan 0.000 0.254 84 Y C -0.108 175.723 175.900 -0.116 0.000 1.171 84 Y CA -0.812 57.234 58.100 -0.090 0.000 1.238 84 Y CB 0.162 38.562 38.460 -0.099 0.000 1.148 84 Y HN -0.868 7.341 8.280 -0.062 0.034 0.525 85 Q N 0.411 120.165 119.800 -0.078 0.000 2.212 85 Q HA 0.228 nan 4.340 nan 0.000 0.238 85 Q C -1.125 174.417 176.000 -0.764 0.000 0.955 85 Q CA -0.397 55.220 55.803 -0.310 0.000 0.906 85 Q CB 2.064 30.679 28.738 -0.205 0.000 1.215 85 Q HN -0.549 7.531 8.270 -0.022 0.177 0.478 86 K N -1.520 118.433 120.400 -0.744 0.000 2.328 86 K HA 0.764 nan 4.320 nan 0.000 0.246 86 K C -1.613 174.589 176.600 -0.664 0.000 0.955 86 K CA -1.685 54.204 56.287 -0.664 0.000 0.817 86 K CB 3.074 35.407 32.500 -0.278 0.000 1.208 86 K HN 0.229 8.166 8.250 -0.522 0.000 0.432 87 A N 0.678 123.285 122.820 -0.354 0.000 2.287 87 A HA 0.254 nan 4.320 nan 0.000 0.273 87 A C 1.004 178.573 177.584 -0.026 0.000 1.091 87 A CA -0.850 51.170 52.037 -0.028 0.000 0.817 87 A CB 0.683 19.753 19.000 0.116 0.000 1.069 87 A HN 0.714 8.595 8.150 -0.276 0.104 0.492 88 D N 0.863 121.283 120.400 0.033 0.000 2.228 88 D HA -0.333 nan 4.640 nan 0.000 0.203 88 D C 0.910 177.222 176.300 0.020 0.000 0.988 88 D CA 2.958 56.981 54.000 0.038 0.000 0.864 88 D CB -0.395 40.447 40.800 0.069 0.000 0.928 88 D HN 0.532 9.311 8.370 0.065 -0.371 0.469 89 D N -3.818 116.590 120.400 0.014 0.000 2.319 89 D HA -0.048 nan 4.640 nan 0.000 0.230 89 D C 1.211 177.509 176.300 -0.004 0.000 1.094 89 D CA -0.395 53.611 54.000 0.009 0.000 0.856 89 D CB -1.089 39.720 40.800 0.014 0.000 0.915 89 D HN -0.387 7.956 8.370 0.019 0.039 0.517 90 G N 1.360 110.148 108.800 -0.020 0.000 2.160 90 G HA2 -0.538 nan 3.960 nan 0.000 0.251 90 G HA3 -0.538 nan 3.960 nan 0.000 0.251 90 G C -1.554 173.323 174.900 -0.039 0.000 1.008 90 G CA 0.231 45.312 45.100 -0.033 0.000 0.724 90 G HN 0.089 8.269 8.290 -0.024 0.095 0.514 91 R N -0.165 120.309 120.500 -0.043 0.000 2.338 91 R HA 0.420 nan 4.340 nan 0.000 0.317 91 R C -2.540 173.717 176.300 -0.071 0.000 0.968 91 R CA -3.770 52.310 56.100 -0.034 0.000 0.849 91 R CB 1.719 32.018 30.300 -0.002 0.000 1.128 91 R HN -0.848 7.507 8.270 -0.041 -0.109 0.448 92 P HA -0.045 nan 4.420 nan 0.000 0.265 92 P C 0.460 177.751 177.300 -0.015 0.000 1.193 92 P CA 0.725 63.763 63.100 -0.104 0.000 0.765 92 P CB 0.226 31.890 31.700 -0.060 0.000 0.823 93 F N 4.190 124.098 119.950 -0.069 0.000 2.115 93 F HA -0.363 nan 4.527 nan 0.000 0.300 93 F C -0.350 175.396 175.800 -0.090 0.000 1.092 93 F CA 4.628 62.577 58.000 -0.084 0.000 1.245 93 F CB -3.229 35.711 39.000 -0.100 0.000 0.995 93 F HN 0.632 8.769 8.300 -0.273 0.000 0.481 94 P HA -0.216 nan 4.420 nan 0.000 0.218 94 P C 2.009 179.317 177.300 0.014 0.000 1.148 94 P CA 2.927 66.028 63.100 0.002 0.000 0.822 94 P CB -0.329 31.337 31.700 -0.058 0.000 0.784 95 Q N -2.113 117.701 119.800 0.024 0.000 2.083 95 Q HA -0.202 nan 4.340 nan 0.000 0.198 95 Q C 2.409 178.428 176.000 0.031 0.000 0.969 95 Q CA 2.893 58.708 55.803 0.020 0.000 0.838 95 Q CB -0.395 28.350 28.738 0.013 0.000 0.900 95 Q HN 0.161 8.309 8.270 0.025 0.137 0.436 96 V N 1.114 121.062 119.914 0.056 0.000 2.343 96 V HA -0.377 nan 4.120 nan 0.000 0.247 96 V C 2.291 178.399 176.094 0.023 0.000 1.051 96 V CA 4.332 66.662 62.300 0.050 0.000 1.036 96 V CB -0.879 31.001 31.823 0.094 0.000 0.654 96 V HN -0.461 7.697 8.190 0.084 0.082 0.451 97 I N -1.875 118.705 120.570 0.016 0.000 2.179 97 I HA -0.611 nan 4.170 nan 0.000 0.242 97 I C 1.779 177.905 176.117 0.014 0.000 1.088 97 I CA 4.395 65.697 61.300 0.003 0.000 1.357 97 I CB -0.426 37.570 38.000 -0.007 0.000 1.051 97 I HN -0.229 8.000 8.210 0.031 0.000 0.409 98 K N -0.639 119.771 120.400 0.017 0.000 2.057 98 K HA -0.350 nan 4.320 nan 0.000 0.207 98 K C 3.003 179.612 176.600 0.015 0.000 1.049 98 K CA 3.656 59.953 56.287 0.018 0.000 0.931 98 K CB -0.273 32.237 32.500 0.017 0.000 0.714 98 K HN -0.453 7.806 8.250 0.016 0.000 0.440 99 S N 0.355 116.063 115.700 0.015 0.000 2.419 99 S HA -0.165 nan 4.470 nan 0.000 0.233 99 S C 0.913 175.519 174.600 0.011 0.000 1.016 99 S CA 2.956 61.164 58.200 0.012 0.000 0.974 99 S CB -0.441 62.767 63.200 0.013 0.000 0.786 99 S HN 0.109 8.429 8.310 0.016 0.000 0.492 100 K N -0.352 120.055 120.400 0.011 0.000 2.437 100 K HA 0.096 nan 4.320 nan 0.000 0.198 100 K C -0.205 176.401 176.600 0.010 0.000 1.024 100 K CA -0.634 55.658 56.287 0.009 0.000 1.148 100 K CB -0.304 32.202 32.500 0.009 0.000 0.860 100 K HN -0.853 7.269 8.250 0.012 0.135 0.515 101 G N -2.431 106.375 108.800 0.011 0.000 2.143 101 G HA2 -0.319 nan 3.960 nan 0.000 0.249 101 G HA3 -0.319 nan 3.960 nan 0.000 0.249 101 G C -0.445 174.461 174.900 0.011 0.000 0.981 101 G CA -0.018 45.087 45.100 0.009 0.000 0.665 101 G HN -0.186 7.917 8.290 0.012 0.194 0.528 102 G N -1.694 107.117 108.800 0.018 0.000 2.434 102 G HA2 0.617 nan 3.960 nan 0.000 0.330 102 G HA3 0.617 nan 3.960 nan 0.000 0.330 102 G C -0.949 173.982 174.900 0.051 0.000 1.155 102 G CA -1.561 43.556 45.100 0.028 0.000 0.917 102 G HN -0.483 7.778 8.290 0.018 0.040 0.493 103 V N 1.430 121.397 119.914 0.088 0.000 2.532 103 V HA 0.219 nan 4.120 nan 0.000 0.295 103 V C -0.593 175.655 176.094 0.256 0.000 1.041 103 V CA -0.496 61.900 62.300 0.159 0.000 0.926 103 V CB 1.675 33.599 31.823 0.168 0.000 0.992 103 V HN -0.081 8.041 8.190 0.071 0.110 0.457 104 V N 4.202 124.201 119.914 0.143 0.000 2.407 104 V HA 0.566 nan 4.120 nan 0.000 0.278 104 V C -0.484 175.408 176.094 -0.337 0.000 1.037 104 V CA -1.335 60.948 62.300 -0.028 0.000 0.900 104 V CB 0.599 32.372 31.823 -0.082 0.000 0.983 104 V HN 0.630 8.888 8.190 0.112 0.000 0.459 105 G N 5.274 113.605 108.800 -0.782 0.000 2.473 105 G HA2 0.977 nan 3.960 nan 0.000 0.321 105 G HA3 0.977 nan 3.960 nan 0.000 0.321 105 G C -3.326 171.127 174.900 -0.745 0.000 1.200 105 G CA -1.877 42.289 45.100 -1.558 0.000 0.963 105 G HN 0.686 8.700 8.290 -0.459 0.000 0.483 106 I N -0.110 120.096 120.570 -0.607 0.000 2.533 106 I HA 0.532 nan 4.170 nan 0.000 0.290 106 I C -2.398 173.559 176.117 -0.268 0.000 1.056 106 I CA -2.522 58.501 61.300 -0.461 0.000 1.057 106 I CB 4.246 41.806 38.000 -0.733 0.000 1.240 106 I HN 0.262 8.095 8.210 -0.630 0.000 0.423 107 K N 8.828 129.129 120.400 -0.165 0.000 2.349 107 K HA 0.210 nan 4.320 nan 0.000 0.288 107 K C -0.117 176.464 176.600 -0.031 0.000 1.058 107 K CA 0.363 56.624 56.287 -0.044 0.000 0.953 107 K CB 0.537 33.053 32.500 0.026 0.000 0.997 107 K HN -0.026 8.121 8.250 -0.172 0.000 0.477 108 V N -1.162 118.784 119.914 0.054 0.000 3.643 108 V HA 0.330 nan 4.120 nan 0.000 0.280 108 V C -0.554 175.543 176.094 0.006 0.000 1.351 108 V CA -1.360 61.025 62.300 0.142 0.000 1.073 108 V CB 0.243 32.282 31.823 0.360 0.000 0.863 108 V HN 0.430 8.674 8.190 0.088 0.000 0.436 109 D N 0.673 120.899 120.400 -0.290 0.000 2.358 109 D HA 0.059 nan 4.640 nan 0.000 0.244 109 D C 0.188 176.231 176.300 -0.428 0.000 1.163 109 D CA 0.139 53.653 54.000 -0.811 0.000 0.945 109 D CB 0.914 40.826 40.800 -1.481 0.000 1.152 109 D HN -0.689 7.531 8.370 -0.250 0.000 0.451 110 K N 0.291 120.433 120.400 -0.430 0.000 2.699 110 K HA 0.067 nan 4.320 nan 0.000 0.210 110 K C -0.115 176.373 176.600 -0.187 0.000 1.076 110 K CA -0.718 55.446 56.287 -0.205 0.000 1.109 110 K CB 0.186 32.614 32.500 -0.120 0.000 0.862 110 K HN 0.409 8.185 8.250 -0.625 0.099 0.470 111 G N -0.557 108.090 108.800 -0.255 0.000 2.712 111 G HA2 -0.305 nan 3.960 nan 0.000 0.683 111 G HA3 -0.305 nan 3.960 nan 0.000 0.683 111 G C -2.512 172.286 174.900 -0.170 0.000 1.320 111 G CA -0.697 44.294 45.100 -0.181 0.000 0.847 111 G HN -0.425 7.877 8.290 -0.370 -0.234 0.553 112 V N -4.278 115.570 119.914 -0.110 0.000 2.644 112 V HA 0.722 nan 4.120 nan 0.000 0.295 112 V C -0.529 175.540 176.094 -0.041 0.000 1.053 112 V CA -1.965 60.293 62.300 -0.070 0.000 0.987 112 V CB 0.888 32.681 31.823 -0.050 0.000 1.006 112 V HN -0.185 7.948 8.190 -0.096 0.000 0.472 113 V N -2.261 117.641 119.914 -0.020 0.000 2.876 113 V HA 0.685 nan 4.120 nan 0.000 0.312 113 V C -2.522 173.573 176.094 0.002 0.000 1.085 113 V CA -4.157 58.138 62.300 -0.008 0.000 0.945 113 V CB 2.829 34.652 31.823 0.000 0.000 1.017 113 V HN 0.929 9.112 8.190 -0.012 0.000 0.428 114 P HA 0.340 nan 4.420 nan 0.000 0.271 114 P C -1.296 176.012 177.300 0.012 0.000 1.218 114 P CA -0.395 62.709 63.100 0.007 0.000 0.780 114 P CB 0.575 32.278 31.700 0.005 0.000 0.901 115 L N 2.866 124.098 121.223 0.014 0.000 2.262 115 L HA 0.223 nan 4.340 nan 0.000 0.288 115 L C -0.488 176.391 176.870 0.015 0.000 1.035 115 L CA -1.207 53.643 54.840 0.017 0.000 0.820 115 L CB 0.850 42.920 42.059 0.019 0.000 1.204 115 L HN 0.268 8.506 8.230 0.013 0.000 0.424 116 A N 5.676 128.504 122.820 0.014 0.000 2.483 116 A HA -0.139 nan 4.320 nan 0.000 0.238 116 A C 0.747 178.340 177.584 0.014 0.000 1.070 116 A CA 0.857 52.901 52.037 0.013 0.000 0.770 116 A CB -0.210 18.798 19.000 0.012 0.000 1.008 116 A HN 0.647 8.806 8.150 0.015 0.000 0.497 117 G N 1.922 110.730 108.800 0.014 0.000 2.159 117 G HA2 -0.236 nan 3.960 nan 0.000 0.256 117 G HA3 -0.236 nan 3.960 nan 0.000 0.256 117 G C -0.318 174.592 174.900 0.018 0.000 0.977 117 G CA 0.137 45.245 45.100 0.014 0.000 0.652 117 G HN 0.431 8.729 8.290 0.014 0.000 0.531 118 T N -3.443 111.123 114.554 0.021 0.000 2.927 118 T HA 0.177 nan 4.350 nan 0.000 0.286 118 T C -0.518 174.202 174.700 0.034 0.000 1.040 118 T CA -2.165 59.952 62.100 0.028 0.000 1.010 118 T CB 2.399 71.282 68.868 0.025 0.000 1.177 118 T HN -0.587 7.614 8.240 0.019 0.050 0.546 119 N N 2.706 121.434 118.700 0.047 0.000 3.245 119 N HA -0.092 nan 4.740 nan 0.000 0.296 119 N C 0.303 175.831 175.510 0.030 0.000 1.254 119 N CA -0.890 52.189 53.050 0.048 0.000 1.190 119 N CB -0.775 37.755 38.487 0.073 0.000 1.460 119 N HN 0.506 8.917 8.380 0.051 0.000 0.538 120 G N 2.013 110.826 108.800 0.022 0.000 2.176 120 G HA2 -0.448 nan 3.960 nan 0.000 0.252 120 G HA3 -0.448 nan 3.960 nan 0.000 0.252 120 G C -0.807 174.100 174.900 0.012 0.000 1.024 120 G CA 0.235 45.344 45.100 0.015 0.000 0.755 120 G HN -0.172 8.070 8.290 0.023 0.062 0.507 121 E N -0.562 119.648 120.200 0.016 0.000 2.280 121 E HA 0.575 nan 4.350 nan 0.000 0.264 121 E C -0.908 175.699 176.600 0.012 0.000 1.064 121 E CA -0.817 55.591 56.400 0.014 0.000 0.900 121 E CB 1.693 31.404 29.700 0.018 0.000 1.123 121 E HN -0.566 7.806 8.360 0.019 0.000 0.418 122 T N -4.294 110.266 114.554 0.011 0.000 2.865 122 T HA 0.666 nan 4.350 nan 0.000 0.294 122 T C -1.518 173.194 174.700 0.021 0.000 1.119 122 T CA -1.991 60.115 62.100 0.011 0.000 1.007 122 T CB 2.723 71.592 68.868 0.002 0.000 1.225 122 T HN 0.224 8.471 8.240 0.011 0.000 0.515 123 T N 0.391 114.962 114.554 0.028 0.000 2.742 123 T HA 0.458 nan 4.350 nan 0.000 0.282 123 T C -1.804 172.929 174.700 0.054 0.000 1.025 123 T CA -1.956 60.176 62.100 0.054 0.000 1.020 123 T CB 3.032 71.937 68.868 0.063 0.000 1.317 123 T HN 0.449 8.701 8.240 0.021 0.000 0.538 124 T N 2.929 117.555 114.554 0.119 0.000 2.841 124 T HA 0.652 nan 4.350 nan 0.000 0.283 124 T C -1.000 173.787 174.700 0.145 0.000 1.000 124 T CA -0.403 61.730 62.100 0.055 0.000 0.977 124 T CB 1.715 70.586 68.868 0.006 0.000 0.979 124 T HN 0.293 8.643 8.240 0.184 0.000 0.446 125 Q N 2.258 122.039 119.800 -0.031 0.000 2.241 125 Q HA 0.479 nan 4.340 nan 0.000 0.262 125 Q C 0.040 175.979 176.000 -0.100 0.000 1.014 125 Q CA -1.725 54.107 55.803 0.047 0.000 0.885 125 Q CB 2.198 30.946 28.738 0.017 0.000 1.311 125 Q HN 0.681 8.868 8.270 -0.139 0.000 0.461 126 G N -1.567 107.313 108.800 0.134 0.000 2.870 126 G HA2 -0.146 nan 3.960 nan 0.000 0.216 126 G HA3 -0.146 nan 3.960 nan 0.000 0.216 126 G C -0.231 174.913 174.900 0.406 0.000 0.973 126 G CA 0.350 45.526 45.100 0.127 0.000 0.807 126 G HN 0.416 8.830 8.290 0.206 0.000 0.573 127 L N -0.530 120.949 121.223 0.426 0.000 2.156 127 L HA -0.138 nan 4.340 nan 0.000 0.208 127 L C -0.560 176.410 176.870 0.167 0.000 1.095 127 L CA 1.285 56.294 54.840 0.281 0.000 0.770 127 L CB -0.357 41.810 42.059 0.180 0.000 0.914 127 L HN -0.141 8.331 8.230 0.403 0.000 0.439 128 D N 0.133 120.612 120.400 0.131 0.000 2.412 128 D HA -0.071 nan 4.640 nan 0.000 0.257 128 D C 1.128 177.469 176.300 0.069 0.000 1.217 128 D CA 1.511 55.559 54.000 0.081 0.000 0.897 128 D CB -0.804 40.032 40.800 0.059 0.000 1.132 128 D HN -0.207 8.247 8.370 0.140 0.000 0.493 129 G N 3.981 112.812 108.800 0.052 0.000 2.166 129 G HA2 -0.432 nan 3.960 nan 0.000 0.260 129 G HA3 -0.432 nan 3.960 nan 0.000 0.260 129 G C 0.974 175.902 174.900 0.047 0.000 0.986 129 G CA 1.102 46.222 45.100 0.034 0.000 0.683 129 G HN 0.489 8.808 8.290 0.049 0.000 0.527 130 L N 0.270 121.546 121.223 0.089 0.000 2.083 130 L HA -0.277 nan 4.340 nan 0.000 0.209 130 L C 0.825 177.748 176.870 0.088 0.000 1.083 130 L CA 2.945 57.863 54.840 0.130 0.000 0.752 130 L CB -0.328 41.852 42.059 0.202 0.000 0.899 130 L HN -0.231 7.903 8.230 0.100 0.156 0.433 131 S N -1.107 114.627 115.700 0.057 0.000 2.356 131 S HA -0.402 nan 4.470 nan 0.000 0.223 131 S C 1.873 176.481 174.600 0.014 0.000 1.032 131 S CA 4.098 62.319 58.200 0.035 0.000 1.005 131 S CB -0.710 62.504 63.200 0.023 0.000 0.867 131 S HN 0.354 8.681 8.310 0.056 0.016 0.449 132 E N 0.851 121.049 120.200 -0.002 0.000 2.051 132 E HA -0.308 nan 4.350 nan 0.000 0.192 132 E C 2.706 179.259 176.600 -0.078 0.000 0.991 132 E CA 3.414 59.795 56.400 -0.031 0.000 0.799 132 E CB -0.481 29.199 29.700 -0.034 0.000 0.748 132 E HN -0.449 7.914 8.360 0.006 0.000 0.449 133 R N -0.168 120.273 120.500 -0.098 0.000 2.083 133 R HA -0.338 nan 4.340 nan 0.000 0.237 133 R C 2.409 178.547 176.300 -0.270 0.000 1.137 133 R CA 3.399 59.337 56.100 -0.269 0.000 0.951 133 R CB -0.192 30.011 30.300 -0.162 0.000 0.851 133 R HN -0.340 7.903 8.270 -0.045 0.000 0.434 134 C N -1.317 117.986 119.300 0.005 0.000 2.413 134 C HA -0.285 nan 4.460 nan 0.000 0.276 134 C C 2.033 177.067 174.990 0.073 0.000 1.248 134 C CA 4.244 63.338 59.018 0.127 0.000 1.742 134 C CB -1.979 25.834 27.740 0.122 0.000 2.017 134 C HN 0.292 8.544 8.230 0.037 0.000 0.481 135 A N -1.119 121.711 122.820 0.017 0.000 1.933 135 A HA -0.347 nan 4.320 nan 0.000 0.218 135 A C 1.960 179.550 177.584 0.010 0.000 1.175 135 A CA 3.352 55.398 52.037 0.016 0.000 0.628 135 A CB -0.918 18.083 19.000 0.001 0.000 0.814 135 A HN 0.046 8.197 8.150 0.002 0.000 0.444 136 Q N -0.745 119.029 119.800 -0.044 0.000 2.049 136 Q HA -0.243 nan 4.340 nan 0.000 0.198 136 Q C 2.318 178.351 176.000 0.055 0.000 0.971 136 Q CA 2.493 58.273 55.803 -0.040 0.000 0.833 136 Q CB -0.300 28.358 28.738 -0.134 0.000 0.896 136 Q HN -0.410 7.707 8.270 -0.093 0.097 0.434 137 Y N -0.661 119.675 120.300 0.061 0.000 2.207 137 Y HA -0.435 nan 4.550 nan 0.000 0.287 137 Y C 2.358 178.255 175.900 -0.006 0.000 1.156 137 Y CA 2.005 60.119 58.100 0.023 0.000 1.182 137 Y CB -0.656 37.813 38.460 0.015 0.000 0.979 137 Y HN 0.283 8.507 8.280 -0.093 0.000 0.521 138 K N -0.865 119.636 120.400 0.169 0.000 2.057 138 K HA -0.348 nan 4.320 nan 0.000 0.207 138 K C 2.781 179.422 176.600 0.069 0.000 1.049 138 K CA 2.700 59.044 56.287 0.095 0.000 0.931 138 K CB -0.413 32.132 32.500 0.076 0.000 0.714 138 K HN 0.139 8.483 8.250 0.170 0.007 0.440 139 K N -0.980 119.461 120.400 0.068 0.000 2.103 139 K HA -0.254 nan 4.320 nan 0.000 0.207 139 K C 1.656 178.290 176.600 0.055 0.000 1.048 139 K CA 2.715 59.034 56.287 0.053 0.000 0.930 139 K CB -0.056 32.473 32.500 0.049 0.000 0.716 139 K HN -0.625 7.597 8.250 0.073 0.072 0.444 140 D N -4.526 115.919 120.400 0.075 0.000 2.336 140 D HA 0.093 nan 4.640 nan 0.000 0.229 140 D C 0.385 176.672 176.300 -0.022 0.000 1.061 140 D CA -0.050 53.975 54.000 0.042 0.000 0.875 140 D CB -0.079 40.764 40.800 0.072 0.000 0.904 140 D HN -0.418 7.899 8.370 0.107 0.117 0.525 141 G N -3.049 105.749 108.800 -0.002 0.000 2.168 141 G HA2 -0.358 nan 3.960 nan 0.000 0.197 141 G HA3 -0.358 nan 3.960 nan 0.000 0.197 141 G C -1.311 173.568 174.900 -0.035 0.000 0.997 141 G CA -0.172 44.917 45.100 -0.019 0.000 0.658 141 G HN -0.382 7.740 8.290 0.025 0.183 0.513 142 A N -0.720 122.077 122.820 -0.037 0.000 2.301 142 A HA 0.216 nan 4.320 nan 0.000 0.298 142 A C -1.259 176.321 177.584 -0.007 0.000 1.185 142 A CA -0.572 51.415 52.037 -0.083 0.000 0.830 142 A CB 0.952 19.861 19.000 -0.152 0.000 1.112 142 A HN -0.274 7.874 8.150 -0.003 0.000 0.508 143 D N 2.774 123.189 120.400 0.026 0.000 2.454 143 D HA 0.382 nan 4.640 nan 0.000 0.214 143 D C -1.160 175.268 176.300 0.213 0.000 1.088 143 D CA 0.989 55.062 54.000 0.123 0.000 0.855 143 D CB 2.331 43.226 40.800 0.157 0.000 1.025 143 D HN 0.646 9.013 8.370 -0.006 0.000 0.502 144 F N -3.355 116.601 119.950 0.010 0.000 2.629 144 F HA 0.940 nan 4.527 nan 0.000 0.316 144 F C -2.914 172.909 175.800 0.038 0.000 1.081 144 F CA -2.244 55.767 58.000 0.020 0.000 0.954 144 F CB 3.262 42.266 39.000 0.006 0.000 1.337 144 F HN -0.642 7.605 8.300 -0.088 0.000 0.474 145 A N -1.902 121.017 122.820 0.165 0.000 2.486 145 A HA 0.835 nan 4.320 nan 0.000 0.289 145 A C -2.535 175.238 177.584 0.316 0.000 1.176 145 A CA -1.627 50.483 52.037 0.122 0.000 0.757 145 A CB 3.479 22.628 19.000 0.249 0.000 1.337 145 A HN 0.830 9.182 8.150 0.337 0.000 0.423 146 K N -1.214 119.340 120.400 0.256 0.000 2.468 146 K HA 0.705 nan 4.320 nan 0.000 0.252 146 K C -2.638 174.028 176.600 0.110 0.000 0.932 146 K CA -1.036 55.389 56.287 0.231 0.000 0.794 146 K CB 4.085 36.671 32.500 0.144 0.000 1.241 146 K HN -0.038 8.315 8.250 0.172 0.000 0.428 147 W N 6.026 127.144 121.300 -0.303 0.000 2.830 147 W HA 0.256 nan 4.660 nan 0.000 0.335 147 W C -3.117 173.220 176.519 -0.304 0.000 1.043 147 W CA -1.207 55.812 57.345 -0.542 0.000 1.239 147 W CB 3.726 32.292 29.460 -1.490 0.000 1.378 147 W HN 0.011 8.251 8.180 0.099 0.000 0.456 148 R N 6.225 126.621 120.500 -0.174 0.000 2.295 148 R HA 0.607 nan 4.340 nan 0.000 0.324 148 R C -1.433 174.843 176.300 -0.040 0.000 0.968 148 R CA -1.170 54.898 56.100 -0.052 0.000 0.837 148 R CB 2.468 32.722 30.300 -0.077 0.000 1.133 148 R HN 0.146 8.455 8.270 -0.436 -0.301 0.450 149 C N 7.493 126.842 119.300 0.080 0.000 2.391 149 C HA 0.753 nan 4.460 nan 0.000 0.339 149 C C -1.550 173.457 174.990 0.027 0.000 1.205 149 C CA -0.613 58.453 59.018 0.080 0.000 1.937 149 C CB 2.372 30.186 27.740 0.122 0.000 2.341 149 C HN 0.785 9.071 8.230 0.092 0.000 0.516 150 V N 2.564 122.486 119.914 0.013 0.000 2.531 150 V HA 0.738 nan 4.120 nan 0.000 0.301 150 V C -1.620 174.476 176.094 0.003 0.000 1.034 150 V CA -0.663 61.639 62.300 0.002 0.000 0.865 150 V CB 1.789 33.606 31.823 -0.009 0.000 0.995 150 V HN 0.517 8.717 8.190 0.017 0.000 0.424 151 L N 5.308 126.530 121.223 -0.002 0.000 2.342 151 L HA 0.586 nan 4.340 nan 0.000 0.271 151 L C -1.359 175.501 176.870 -0.016 0.000 1.008 151 L CA -1.348 53.487 54.840 -0.007 0.000 0.818 151 L CB 2.678 44.730 42.059 -0.012 0.000 1.296 151 L HN 1.027 9.255 8.230 -0.003 0.000 0.427 152 K N 0.176 120.565 120.400 -0.018 0.000 2.371 152 K HA 0.408 nan 4.320 nan 0.000 0.251 152 K C -1.214 175.357 176.600 -0.047 0.000 0.934 152 K CA -1.201 55.070 56.287 -0.025 0.000 0.798 152 K CB 2.982 35.476 32.500 -0.009 0.000 1.204 152 K HN 0.291 8.534 8.250 -0.012 0.000 0.427 153 I N 2.747 123.262 120.570 -0.092 0.000 2.331 153 I HA 0.130 nan 4.170 nan 0.000 0.292 153 I C -0.767 175.302 176.117 -0.079 0.000 0.998 153 I CA -0.757 60.450 61.300 -0.154 0.000 1.267 153 I CB 0.744 38.473 38.000 -0.452 0.000 1.386 153 I HN 0.459 8.619 8.210 -0.084 0.000 0.476 154 G N 5.838 114.609 108.800 -0.048 0.000 2.682 154 G HA2 0.244 nan 3.960 nan 0.000 0.303 154 G HA3 0.244 nan 3.960 nan 0.000 0.303 154 G C -1.573 173.300 174.900 -0.044 0.000 1.341 154 G CA -0.057 45.023 45.100 -0.033 0.000 0.784 154 G HN -0.053 8.113 8.290 -0.042 0.098 0.497 155 E N -0.677 119.458 120.200 -0.108 0.000 2.085 155 E HA -0.249 nan 4.350 nan 0.000 0.194 155 E C 0.580 177.176 176.600 -0.006 0.000 0.994 155 E CA 2.805 59.120 56.400 -0.142 0.000 0.801 155 E CB 0.137 29.634 29.700 -0.339 0.000 0.743 155 E HN 0.408 8.690 8.360 -0.130 0.000 0.453 156 H N -6.649 112.426 119.070 0.009 0.000 2.672 156 H HA 0.348 nan 4.556 nan 0.000 0.277 156 H C -0.778 174.555 175.328 0.008 0.000 1.074 156 H CA -1.520 54.534 56.048 0.010 0.000 1.173 156 H CB 0.574 30.341 29.762 0.009 0.000 1.558 156 H HN 0.035 8.217 8.280 -0.140 0.013 0.539 157 T N -1.157 113.452 114.554 0.092 0.000 2.893 157 T HA 0.436 nan 4.350 nan 0.000 0.291 157 T C -2.362 172.350 174.700 0.020 0.000 1.028 157 T CA -3.258 58.872 62.100 0.049 0.000 0.995 157 T CB 1.689 70.574 68.868 0.027 0.000 1.051 157 T HN -0.799 7.301 8.240 0.052 0.171 0.470 158 P HA 0.161 nan 4.420 nan 0.000 0.279 158 P C -0.739 176.580 177.300 0.031 0.000 1.239 158 P CA -0.981 62.129 63.100 0.017 0.000 0.789 158 P CB 0.828 32.528 31.700 0.001 0.000 0.933 159 S N 2.467 118.187 115.700 0.033 0.000 2.632 159 S HA 0.012 nan 4.470 nan 0.000 0.267 159 S C 1.438 176.049 174.600 0.019 0.000 1.276 159 S CA -1.131 57.087 58.200 0.031 0.000 0.998 159 S CB 2.526 65.743 63.200 0.029 0.000 0.953 159 S HN 0.230 9.049 8.310 0.030 -0.490 0.547 160 A N 2.704 125.534 122.820 0.016 0.000 1.908 160 A HA -0.231 nan 4.320 nan 0.000 0.218 160 A C 1.748 179.337 177.584 0.008 0.000 1.181 160 A CA 2.969 55.012 52.037 0.011 0.000 0.627 160 A CB -0.877 18.129 19.000 0.010 0.000 0.818 160 A HN 0.705 8.865 8.150 0.018 0.000 0.445 161 L N -0.986 120.243 121.223 0.010 0.000 1.994 161 L HA -0.328 nan 4.340 nan 0.000 0.208 161 L C 1.551 178.427 176.870 0.010 0.000 1.071 161 L CA 2.277 57.123 54.840 0.010 0.000 0.745 161 L CB -0.492 41.574 42.059 0.012 0.000 0.892 161 L HN -0.479 7.749 8.230 0.011 0.008 0.431 162 A N -0.794 122.033 122.820 0.012 0.000 1.883 162 A HA -0.373 nan 4.320 nan 0.000 0.217 162 A C 2.209 179.796 177.584 0.005 0.000 1.186 162 A CA 3.110 55.154 52.037 0.012 0.000 0.624 162 A CB -0.904 18.104 19.000 0.013 0.000 0.822 162 A HN -0.567 7.591 8.150 0.014 0.000 0.444 163 I N -1.167 119.403 120.570 0.000 0.000 2.127 163 I HA -0.620 nan 4.170 nan 0.000 0.241 163 I C 1.819 177.927 176.117 -0.014 0.000 1.075 163 I CA 4.304 65.598 61.300 -0.010 0.000 1.334 163 I CB -0.083 37.910 38.000 -0.012 0.000 1.040 163 I HN -0.142 8.070 8.210 0.004 0.000 0.405 164 M N -0.087 119.509 119.600 -0.007 0.000 2.086 164 M HA -0.499 nan 4.480 nan 0.000 0.261 164 M C 1.787 178.082 176.300 -0.008 0.000 1.067 164 M CA 4.086 59.382 55.300 -0.007 0.000 1.116 164 M CB -0.016 32.585 32.600 0.002 0.000 1.348 164 M HN -0.085 8.204 8.290 -0.002 0.000 0.407 165 E N -0.435 119.766 120.200 0.001 0.000 2.051 165 E HA -0.379 nan 4.350 nan 0.000 0.192 165 E C 2.349 178.949 176.600 -0.000 0.000 0.991 165 E CA 3.019 59.423 56.400 0.006 0.000 0.799 165 E CB -0.590 29.121 29.700 0.018 0.000 0.748 165 E HN 0.222 8.584 8.360 0.004 0.000 0.449 166 N N -0.607 118.094 118.700 0.003 0.000 2.166 166 N HA -0.299 nan 4.740 nan 0.000 0.186 166 N C 2.206 177.690 175.510 -0.044 0.000 1.019 166 N CA 3.249 56.303 53.050 0.007 0.000 0.856 166 N CB -0.002 38.495 38.487 0.017 0.000 0.993 166 N HN -0.176 8.207 8.380 0.004 0.000 0.426 167 A N -0.139 122.643 122.820 -0.063 0.000 1.902 167 A HA -0.287 nan 4.320 nan 0.000 0.217 167 A C 2.016 179.505 177.584 -0.159 0.000 1.181 167 A CA 3.223 55.194 52.037 -0.110 0.000 0.623 167 A CB -0.566 18.380 19.000 -0.089 0.000 0.818 167 A HN -0.028 8.096 8.150 -0.043 0.000 0.443 168 N N -2.033 116.594 118.700 -0.122 0.000 2.188 168 N HA -0.233 nan 4.740 nan 0.000 0.184 168 N C 2.132 177.489 175.510 -0.256 0.000 1.018 168 N CA 3.092 56.040 53.050 -0.170 0.000 0.858 168 N CB 0.392 38.862 38.487 -0.029 0.000 0.989 168 N HN -0.383 7.955 8.380 -0.071 0.000 0.426 169 V N 1.005 120.819 119.914 -0.168 0.000 2.453 169 V HA -0.322 nan 4.120 nan 0.000 0.247 169 V C 1.232 177.073 176.094 -0.422 0.000 1.048 169 V CA 3.383 65.560 62.300 -0.205 0.000 1.049 169 V CB -0.547 31.264 31.823 -0.020 0.000 0.672 169 V HN -0.056 8.074 8.190 -0.100 0.000 0.457 170 L N -1.092 119.921 121.223 -0.350 0.000 2.046 170 L HA -0.438 nan 4.340 nan 0.000 0.208 170 L C 1.787 178.482 176.870 -0.292 0.000 1.077 170 L CA 3.578 58.204 54.840 -0.357 0.000 0.747 170 L CB -0.748 41.189 42.059 -0.204 0.000 0.896 170 L HN -0.098 7.993 8.230 -0.231 0.000 0.432 171 A N -1.406 121.182 122.820 -0.387 0.000 1.930 171 A HA -0.297 nan 4.320 nan 0.000 0.217 171 A C 2.295 179.589 177.584 -0.484 0.000 1.175 171 A CA 3.165 54.911 52.037 -0.484 0.000 0.627 171 A CB -0.881 17.669 19.000 -0.749 0.000 0.815 171 A HN -0.070 7.849 8.150 -0.385 0.000 0.443 172 R N -1.419 118.793 120.500 -0.481 0.000 2.066 172 R HA -0.282 nan 4.340 nan 0.000 0.232 172 R C 2.002 178.165 176.300 -0.227 0.000 1.131 172 R CA 2.387 58.334 56.100 -0.255 0.000 0.955 172 R CB -0.469 29.725 30.300 -0.177 0.000 0.851 172 R HN -0.329 7.550 8.270 -0.507 0.087 0.432 173 Y N 0.878 120.873 120.300 -0.510 0.000 2.128 173 Y HA -0.463 nan 4.550 nan 0.000 0.284 173 Y C 1.136 176.879 175.900 -0.263 0.000 1.154 173 Y CA 3.360 61.148 58.100 -0.520 0.000 1.149 173 Y CB -0.463 37.334 38.460 -1.106 0.000 0.976 173 Y HN -0.171 7.866 8.280 -0.406 0.000 0.505 174 A N -2.463 119.960 122.820 -0.662 0.000 1.908 174 A HA -0.473 nan 4.320 nan 0.000 0.218 174 A C 2.018 179.405 177.584 -0.327 0.000 1.181 174 A CA 3.096 54.768 52.037 -0.608 0.000 0.627 174 A CB -1.326 17.484 19.000 -0.317 0.000 0.818 174 A HN 0.304 8.235 8.150 -0.365 0.000 0.445 175 S N -1.167 114.411 115.700 -0.204 0.000 2.356 175 S HA -0.292 nan 4.470 nan 0.000 0.223 175 S C 2.151 176.706 174.600 -0.075 0.000 1.032 175 S CA 3.414 61.568 58.200 -0.078 0.000 1.005 175 S CB -0.151 63.048 63.200 -0.002 0.000 0.867 175 S HN -0.573 7.596 8.310 -0.221 0.008 0.449 176 I N 1.214 121.725 120.570 -0.099 0.000 2.226 176 I HA -0.539 nan 4.170 nan 0.000 0.245 176 I C 1.571 177.651 176.117 -0.061 0.000 1.100 176 I CA 3.957 65.225 61.300 -0.053 0.000 1.374 176 I CB -0.017 37.971 38.000 -0.020 0.000 1.057 176 I HN -0.547 7.583 8.210 -0.133 0.000 0.413 177 C N -0.753 118.460 119.300 -0.146 0.000 2.413 177 C HA -0.473 nan 4.460 nan 0.000 0.277 177 C C 2.585 177.543 174.990 -0.053 0.000 1.228 177 C CA 4.267 63.218 59.018 -0.112 0.000 1.731 177 C CB -1.797 25.789 27.740 -0.257 0.000 2.042 177 C HN -0.191 7.882 8.230 -0.262 0.000 0.468 178 Q N -1.645 118.116 119.800 -0.066 0.000 2.181 178 Q HA -0.398 nan 4.340 nan 0.000 0.205 178 Q C 3.187 179.187 176.000 0.000 0.000 0.980 178 Q CA 3.171 58.968 55.803 -0.009 0.000 0.862 178 Q CB -0.457 28.291 28.738 0.015 0.000 0.905 178 Q HN -0.104 8.096 8.270 -0.118 0.000 0.429 179 Q N -1.383 118.413 119.800 -0.007 0.000 2.291 179 Q HA -0.161 nan 4.340 nan 0.000 0.205 179 Q C 0.832 176.835 176.000 0.005 0.000 0.970 179 Q CA 1.891 57.694 55.803 -0.000 0.000 0.876 179 Q CB -0.329 28.410 28.738 0.002 0.000 0.935 179 Q HN -0.376 7.773 8.270 -0.019 0.109 0.455 180 N N -3.028 115.678 118.700 0.011 0.000 2.273 180 N HA 0.144 nan 4.740 nan 0.000 0.231 180 N C -0.584 174.946 175.510 0.032 0.000 1.134 180 N CA -0.471 52.593 53.050 0.023 0.000 0.856 180 N CB 0.259 38.767 38.487 0.034 0.000 1.068 180 N HN -0.539 7.676 8.380 0.005 0.168 0.510 181 G N -1.126 107.690 108.800 0.027 0.000 2.203 181 G HA2 -0.379 nan 3.960 nan 0.000 0.263 181 G HA3 -0.379 nan 3.960 nan 0.000 0.263 181 G C -1.136 173.798 174.900 0.056 0.000 1.012 181 G CA 0.986 46.109 45.100 0.038 0.000 0.749 181 G HN -0.322 7.818 8.290 0.018 0.161 0.512 182 I N -0.457 120.146 120.570 0.054 0.000 2.378 182 I HA 0.310 nan 4.170 nan 0.000 0.291 182 I C -0.778 175.379 176.117 0.067 0.000 0.992 182 I CA -0.814 60.531 61.300 0.074 0.000 1.154 182 I CB 1.847 39.892 38.000 0.075 0.000 1.315 182 I HN -0.487 7.711 8.210 0.037 0.035 0.448 183 V N 8.246 128.231 119.914 0.118 0.000 2.439 183 V HA 0.147 nan 4.120 nan 0.000 0.271 183 V C -1.830 174.334 176.094 0.118 0.000 1.040 183 V CA -2.750 59.611 62.300 0.102 0.000 1.002 183 V CB -0.121 31.763 31.823 0.101 0.000 1.000 183 V HN 0.677 8.961 8.190 0.158 0.000 0.477 184 P HA 0.470 nan 4.420 nan 0.000 0.292 184 P C -1.407 175.973 177.300 0.132 0.000 1.287 184 P CA -1.342 61.765 63.100 0.010 0.000 0.800 184 P CB 0.643 32.113 31.700 -0.383 0.000 0.945 185 I N 4.157 124.898 120.570 0.285 0.000 2.312 185 I HA 0.221 nan 4.170 nan 0.000 0.291 185 I C -0.289 175.982 176.117 0.258 0.000 1.031 185 I CA -0.499 60.922 61.300 0.201 0.000 1.293 185 I CB 0.704 38.830 38.000 0.210 0.000 1.403 185 I HN 0.202 8.656 8.210 0.406 0.000 0.484 186 V N 9.793 129.792 119.914 0.142 0.000 2.385 186 V HA 0.105 nan 4.120 nan 0.000 0.269 186 V C -1.685 174.437 176.094 0.047 0.000 1.043 186 V CA -0.330 62.036 62.300 0.110 0.000 0.906 186 V CB -0.380 31.433 31.823 -0.016 0.000 0.995 186 V HN 1.015 9.245 8.190 0.066 0.000 0.467 187 E N 8.174 128.414 120.200 0.067 0.000 2.256 187 E HA 0.618 nan 4.350 nan 0.000 0.243 187 E C -2.770 173.854 176.600 0.040 0.000 0.925 187 E CA -3.920 52.508 56.400 0.047 0.000 0.748 187 E CB 2.946 32.684 29.700 0.063 0.000 1.206 187 E HN -0.060 8.358 8.360 0.097 0.000 0.428 188 P HA 0.233 nan 4.420 nan 0.000 0.227 188 P C -1.809 175.498 177.300 0.011 0.000 1.815 188 P CA -0.915 62.187 63.100 0.004 0.000 1.134 188 P CB -0.712 30.970 31.700 -0.030 0.000 1.795 189 E N 3.574 123.786 120.200 0.021 0.000 2.257 189 E HA 0.009 nan 4.350 nan 0.000 0.278 189 E C -1.354 175.252 176.600 0.010 0.000 1.049 189 E CA -0.695 55.719 56.400 0.023 0.000 0.876 189 E CB 0.996 30.712 29.700 0.027 0.000 1.035 189 E HN -0.160 8.215 8.360 0.025 0.000 0.419 190 I N 7.052 127.628 120.570 0.010 0.000 2.297 190 I HA 0.154 nan 4.170 nan 0.000 0.291 190 I C 0.032 176.144 176.117 -0.008 0.000 1.033 190 I CA -0.768 60.527 61.300 -0.008 0.000 1.253 190 I CB 0.042 38.032 38.000 -0.015 0.000 1.396 190 I HN -0.046 8.459 8.210 0.022 -0.283 0.476 191 L N 9.093 130.307 121.223 -0.015 0.000 2.514 191 L HA -0.010 nan 4.340 nan 0.000 0.280 191 L C -0.281 176.571 176.870 -0.031 0.000 1.223 191 L CA -0.495 54.330 54.840 -0.025 0.000 0.864 191 L CB -0.428 41.620 42.059 -0.018 0.000 1.118 191 L HN 0.443 8.663 8.230 -0.016 0.000 0.494 192 P HA 0.088 nan 4.420 nan 0.000 0.249 192 P C -1.200 175.941 177.300 -0.265 0.000 1.229 192 P CA -0.019 62.932 63.100 -0.247 0.000 0.788 192 P CB 0.305 31.646 31.700 -0.598 0.000 1.072 193 D N 0.434 120.767 120.400 -0.112 0.000 2.425 193 D HA -0.085 nan 4.640 nan 0.000 0.247 193 D C -0.285 176.070 176.300 0.090 0.000 1.147 193 D CA 2.479 56.470 54.000 -0.014 0.000 0.879 193 D CB 0.087 40.897 40.800 0.017 0.000 1.179 193 D HN -0.458 7.790 8.370 -0.081 0.073 0.456 194 G N 0.437 109.267 108.800 0.050 0.000 2.371 194 G HA2 -0.240 nan 3.960 nan 0.000 0.663 194 G HA3 -0.240 nan 3.960 nan 0.000 0.663 194 G C -2.263 172.605 174.900 -0.054 0.000 1.311 194 G CA -0.388 44.760 45.100 0.079 0.000 0.985 194 G HN -0.428 7.883 8.290 0.034 0.000 0.566 195 D N -3.382 117.011 120.400 -0.011 0.000 2.402 195 D HA 0.066 nan 4.640 nan 0.000 0.216 195 D C -0.496 175.768 176.300 -0.061 0.000 1.128 195 D CA -0.451 53.516 54.000 -0.055 0.000 0.833 195 D CB -0.720 40.081 40.800 0.001 0.000 0.971 195 D HN 0.155 8.563 8.370 0.064 0.000 0.503 196 H N -2.829 116.251 119.070 0.017 0.000 2.836 196 H HA -0.050 nan 4.556 nan 0.000 0.368 196 H C -0.331 175.012 175.328 0.026 0.000 1.164 196 H CA -1.081 54.977 56.048 0.016 0.000 1.425 196 H CB 1.196 30.960 29.762 0.004 0.000 1.414 196 H HN -0.469 7.705 8.280 -0.047 0.077 0.614 197 D N -1.148 119.332 120.400 0.134 0.000 2.539 197 D HA 0.047 nan 4.640 nan 0.000 0.276 197 D C 0.547 176.856 176.300 0.015 0.000 1.206 197 D CA -1.158 52.889 54.000 0.080 0.000 1.081 197 D CB 1.238 42.139 40.800 0.169 0.000 1.142 197 D HN 0.158 8.630 8.370 0.169 0.000 0.595 198 L N -0.227 120.864 121.223 -0.220 0.000 2.012 198 L HA -0.295 nan 4.340 nan 0.000 0.210 198 L C 1.456 178.283 176.870 -0.072 0.000 1.073 198 L CA 3.680 58.337 54.840 -0.305 0.000 0.748 198 L CB 0.179 41.810 42.059 -0.713 0.000 0.891 198 L HN -0.157 7.899 8.230 -0.290 0.000 0.431 199 K N -2.251 118.147 120.400 -0.003 0.000 2.103 199 K HA -0.452 nan 4.320 nan 0.000 0.207 199 K C 2.328 178.977 176.600 0.081 0.000 1.048 199 K CA 3.625 59.942 56.287 0.050 0.000 0.930 199 K CB -0.558 31.976 32.500 0.056 0.000 0.716 199 K HN -0.046 8.209 8.250 0.009 0.000 0.444 200 R N -0.528 120.020 120.500 0.080 0.000 2.073 200 R HA -0.208 nan 4.340 nan 0.000 0.234 200 R C 1.967 178.318 176.300 0.084 0.000 1.134 200 R CA 2.869 59.021 56.100 0.086 0.000 0.952 200 R CB -0.477 29.882 30.300 0.098 0.000 0.850 200 R HN -0.408 8.159 8.270 0.078 -0.250 0.433 201 C N -0.173 119.181 119.300 0.090 0.000 2.429 201 C HA -0.232 nan 4.460 nan 0.000 0.277 201 C C 1.731 176.747 174.990 0.045 0.000 1.262 201 C CA 3.039 62.084 59.018 0.044 0.000 1.733 201 C CB -1.915 25.884 27.740 0.098 0.000 2.010 201 C HN -0.230 8.081 8.230 0.136 0.000 0.483 202 Q N 0.429 120.264 119.800 0.059 0.000 2.050 202 Q HA -0.411 nan 4.340 nan 0.000 0.202 202 Q C 1.672 177.720 176.000 0.081 0.000 0.980 202 Q CA 3.533 59.373 55.803 0.061 0.000 0.840 202 Q CB -0.160 28.615 28.738 0.062 0.000 0.898 202 Q HN 0.090 8.392 8.270 0.054 0.000 0.424 203 Y N -0.033 120.268 120.300 0.001 0.000 2.097 203 Y HA -0.503 nan 4.550 nan 0.000 0.282 203 Y C 2.040 177.937 175.900 -0.005 0.000 1.152 203 Y CA 3.956 62.058 58.100 0.003 0.000 1.136 203 Y CB 0.091 38.553 38.460 0.002 0.000 0.975 203 Y HN -0.156 8.263 8.280 0.233 0.000 0.498 204 V N -1.983 117.969 119.914 0.064 0.000 2.343 204 V HA -0.572 nan 4.120 nan 0.000 0.247 204 V C 1.996 178.046 176.094 -0.074 0.000 1.051 204 V CA 4.655 66.939 62.300 -0.027 0.000 1.036 204 V CB -1.261 30.559 31.823 -0.005 0.000 0.654 204 V HN -0.209 8.089 8.190 0.179 0.000 0.451 205 T N 1.912 116.442 114.554 -0.039 0.000 2.720 205 T HA -0.396 nan 4.350 nan 0.000 0.268 205 T C 1.811 176.484 174.700 -0.045 0.000 1.037 205 T CA 5.298 67.382 62.100 -0.026 0.000 1.144 205 T CB -0.677 68.196 68.868 0.008 0.000 0.864 205 T HN 0.233 8.466 8.240 -0.012 0.000 0.444 206 E N 1.012 121.167 120.200 -0.075 0.000 2.077 206 E HA -0.398 nan 4.350 nan 0.000 0.193 206 E C 2.472 179.001 176.600 -0.119 0.000 0.989 206 E CA 3.314 59.662 56.400 -0.086 0.000 0.800 206 E CB -0.205 29.430 29.700 -0.107 0.000 0.746 206 E HN -0.131 8.183 8.360 -0.077 0.000 0.452 207 K N -1.512 118.765 120.400 -0.205 0.000 2.057 207 K HA -0.154 nan 4.320 nan 0.000 0.206 207 K C 2.789 179.334 176.600 -0.091 0.000 1.050 207 K CA 2.256 58.433 56.287 -0.184 0.000 0.935 207 K CB -0.476 31.868 32.500 -0.259 0.000 0.715 207 K HN -0.445 7.643 8.250 -0.269 0.000 0.439 208 V N -2.583 117.287 119.914 -0.073 0.000 2.358 208 V HA -0.230 nan 4.120 nan 0.000 0.246 208 V C 1.670 177.745 176.094 -0.032 0.000 1.047 208 V CA 3.715 65.987 62.300 -0.047 0.000 1.035 208 V CB -1.026 30.774 31.823 -0.039 0.000 0.658 208 V HN -0.019 8.119 8.190 -0.085 0.000 0.452 209 L N -0.445 120.774 121.223 -0.008 0.000 2.083 209 L HA -0.396 nan 4.340 nan 0.000 0.209 209 L C 2.123 179.066 176.870 0.121 0.000 1.083 209 L CA 3.048 57.921 54.840 0.056 0.000 0.752 209 L CB -1.214 40.897 42.059 0.087 0.000 0.899 209 L HN -0.043 8.176 8.230 -0.017 0.000 0.433 210 A N -1.300 121.556 122.820 0.061 0.000 1.930 210 A HA -0.336 nan 4.320 nan 0.000 0.217 210 A C 1.746 179.358 177.584 0.047 0.000 1.175 210 A CA 3.057 55.135 52.037 0.068 0.000 0.627 210 A CB -1.071 17.937 19.000 0.014 0.000 0.815 210 A HN -0.258 7.901 8.150 0.015 0.000 0.443 211 A N -1.911 120.909 122.820 0.000 0.000 1.930 211 A HA -0.210 nan 4.320 nan 0.000 0.217 211 A C 2.070 179.620 177.584 -0.057 0.000 1.175 211 A CA 2.942 54.967 52.037 -0.021 0.000 0.627 211 A CB -0.553 18.429 19.000 -0.031 0.000 0.815 211 A HN -0.515 7.548 8.150 -0.012 0.080 0.443 212 V N 0.142 119.994 119.914 -0.103 0.000 2.287 212 V HA -0.459 nan 4.120 nan 0.000 0.248 212 V C 1.920 177.798 176.094 -0.360 0.000 1.053 212 V CA 4.983 67.134 62.300 -0.249 0.000 1.027 212 V CB -0.885 30.738 31.823 -0.332 0.000 0.646 212 V HN 0.186 8.262 8.190 -0.071 0.072 0.447 213 Y N -2.092 118.183 120.300 -0.041 0.000 2.314 213 Y HA -0.391 nan 4.550 nan 0.000 0.293 213 Y C 1.967 177.856 175.900 -0.019 0.000 1.129 213 Y CA 3.771 61.852 58.100 -0.033 0.000 1.201 213 Y CB -0.699 37.743 38.460 -0.030 0.000 0.999 213 Y HN -0.059 8.204 8.280 -0.029 0.000 0.541 214 K N 0.135 120.577 120.400 0.071 0.000 2.057 214 K HA -0.364 nan 4.320 nan 0.000 0.206 214 K C 1.880 178.492 176.600 0.021 0.000 1.050 214 K CA 1.991 58.306 56.287 0.047 0.000 0.935 214 K CB -0.777 31.742 32.500 0.032 0.000 0.715 214 K HN -0.344 7.944 8.250 0.064 0.000 0.439 215 A N -0.779 122.031 122.820 -0.016 0.000 1.902 215 A HA -0.213 nan 4.320 nan 0.000 0.217 215 A C 2.425 180.008 177.584 -0.002 0.000 1.181 215 A CA 3.044 55.077 52.037 -0.007 0.000 0.623 215 A CB -0.905 18.039 19.000 -0.092 0.000 0.818 215 A HN -0.223 7.902 8.150 -0.041 0.000 0.443 216 L N -3.239 117.936 121.223 -0.081 0.000 2.083 216 L HA -0.458 nan 4.340 nan 0.000 0.209 216 L C 1.986 178.869 176.870 0.021 0.000 1.083 216 L CA 2.990 57.792 54.840 -0.062 0.000 0.752 216 L CB -0.578 41.414 42.059 -0.112 0.000 0.899 216 L HN -0.024 8.125 8.230 -0.134 0.000 0.433 217 S N -0.645 115.079 115.700 0.040 0.000 2.368 217 S HA -0.330 nan 4.470 nan 0.000 0.224 217 S C 2.758 177.336 174.600 -0.037 0.000 1.029 217 S CA 3.487 61.714 58.200 0.044 0.000 0.988 217 S CB -0.244 62.992 63.200 0.061 0.000 0.838 217 S HN -0.114 8.222 8.310 0.044 0.000 0.462 218 D N 2.256 122.627 120.400 -0.049 0.000 2.144 218 D HA -0.196 nan 4.640 nan 0.000 0.199 218 D C 1.506 177.531 176.300 -0.459 0.000 0.984 218 D CA 2.781 56.678 54.000 -0.172 0.000 0.834 218 D CB -0.133 40.625 40.800 -0.070 0.000 0.955 218 D HN -0.069 8.305 8.370 0.007 0.000 0.465 219 H N -3.948 114.919 119.070 -0.338 0.000 2.526 219 H HA 0.171 nan 4.556 nan 0.000 0.274 219 H C -1.267 173.904 175.328 -0.262 0.000 0.999 219 H CA 0.227 56.077 56.048 -0.330 0.000 1.157 219 H CB 0.229 29.895 29.762 -0.158 0.000 1.407 219 H HN -0.660 7.556 8.280 0.074 0.108 0.568 220 H N -4.999 114.131 119.070 0.101 0.000 2.839 220 H HA -0.388 nan 4.556 nan 0.000 0.298 220 H C -0.681 174.704 175.328 0.094 0.000 1.224 220 H CA 0.249 56.347 56.048 0.083 0.000 1.144 220 H CB -2.397 27.403 29.762 0.063 0.000 1.372 220 H HN -0.549 7.350 8.280 -0.301 0.200 0.408 221 I N -1.846 118.813 120.570 0.148 0.000 2.529 221 I HA -0.145 nan 4.170 nan 0.000 0.284 221 I C -0.194 176.028 176.117 0.175 0.000 1.082 221 I CA -1.964 59.409 61.300 0.122 0.000 1.406 221 I CB 0.048 38.070 38.000 0.037 0.000 1.405 221 I HN -0.262 8.011 8.210 0.104 0.000 0.548 222 Y N 8.391 128.716 120.300 0.042 0.000 2.600 222 Y HA 0.039 nan 4.550 nan 0.000 0.351 222 Y C -0.325 175.600 175.900 0.042 0.000 1.042 222 Y CA -1.153 56.973 58.100 0.044 0.000 1.333 222 Y CB -0.558 37.922 38.460 0.034 0.000 1.172 222 Y HN 0.078 8.854 8.280 0.252 -0.346 0.517 223 L N 7.631 128.749 121.223 -0.176 0.000 2.079 223 L HA -0.535 nan 4.340 nan 0.000 0.210 223 L C 1.643 178.331 176.870 -0.304 0.000 1.081 223 L CA 3.281 58.025 54.840 -0.159 0.000 0.752 223 L CB -0.703 41.327 42.059 -0.049 0.000 0.896 223 L HN 0.147 8.333 8.230 -0.074 0.000 0.433 224 E N -1.583 118.236 120.200 -0.635 0.000 2.204 224 E HA -0.189 nan 4.350 nan 0.000 0.195 224 E C 1.482 177.872 176.600 -0.350 0.000 0.990 224 E CA 2.655 58.750 56.400 -0.508 0.000 0.821 224 E CB -0.723 28.634 29.700 -0.572 0.000 0.750 224 E HN 0.427 8.218 8.360 -0.920 0.018 0.477 225 G N -3.417 105.160 108.800 -0.371 0.000 3.591 225 G HA2 0.156 nan 3.960 nan 0.000 0.282 225 G HA3 0.156 nan 3.960 nan 0.000 0.282 225 G C -0.876 174.017 174.900 -0.013 0.000 1.238 225 G CA -0.657 44.452 45.100 0.014 0.000 0.993 225 G HN -0.516 7.208 8.290 -0.705 0.144 0.542 226 T N -2.599 111.907 114.554 -0.080 0.000 2.841 226 T HA 0.416 nan 4.350 nan 0.000 0.296 226 T C -1.985 172.663 174.700 -0.086 0.000 1.166 226 T CA -2.097 59.969 62.100 -0.056 0.000 1.007 226 T CB 3.174 72.018 68.868 -0.039 0.000 1.253 226 T HN -0.725 7.358 8.240 -0.132 0.078 0.511 227 L N -1.662 119.519 121.223 -0.072 0.000 2.409 227 L HA 0.926 nan 4.340 nan 0.000 0.262 227 L C -2.242 174.578 176.870 -0.083 0.000 0.992 227 L CA -1.095 53.677 54.840 -0.113 0.000 0.817 227 L CB 4.561 46.529 42.059 -0.152 0.000 1.350 227 L HN -0.047 8.163 8.230 -0.034 0.000 0.411 228 L N 1.694 122.837 121.223 -0.133 0.000 2.296 228 L HA 0.639 nan 4.340 nan 0.000 0.286 228 L C -2.472 174.293 176.870 -0.174 0.000 1.023 228 L CA -1.189 53.576 54.840 -0.125 0.000 0.812 228 L CB 2.833 44.809 42.059 -0.138 0.000 1.223 228 L HN 0.618 8.735 8.230 -0.189 0.000 0.421 229 K N 7.772 128.112 120.400 -0.100 0.000 2.484 229 K HA 0.456 nan 4.320 nan 0.000 0.226 229 K C -2.463 174.115 176.600 -0.036 0.000 1.031 229 K CA -3.283 52.957 56.287 -0.078 0.000 1.026 229 K CB 1.079 33.580 32.500 0.002 0.000 1.412 229 K HN 0.454 8.567 8.250 -0.055 0.104 0.492 230 P HA 0.259 nan 4.420 nan 0.000 0.288 230 P C -1.750 175.665 177.300 0.192 0.000 1.297 230 P CA -1.762 61.361 63.100 0.038 0.000 0.864 230 P CB 2.698 34.398 31.700 -0.000 0.000 1.237 231 N N -2.374 116.429 118.700 0.171 0.000 2.513 231 N HA 0.055 nan 4.740 nan 0.000 0.274 231 N C -0.721 174.933 175.510 0.239 0.000 1.189 231 N CA -0.478 52.682 53.050 0.184 0.000 0.975 231 N CB 0.489 39.030 38.487 0.090 0.000 1.157 231 N HN 0.115 8.561 8.380 0.111 0.000 0.465 232 M N -1.426 118.260 119.600 0.143 0.000 2.228 232 M HA 0.058 nan 4.480 nan 0.000 0.326 232 M C -0.105 176.200 176.300 0.009 0.000 1.122 232 M CA 0.442 55.726 55.300 -0.027 0.000 1.161 232 M CB 1.274 33.738 32.600 -0.227 0.000 1.437 232 M HN 0.241 8.601 8.290 0.117 0.000 0.465 233 V N 2.793 122.702 119.914 -0.009 0.000 2.405 233 V HA 0.081 nan 4.120 nan 0.000 0.264 233 V C -0.807 175.260 176.094 -0.045 0.000 1.048 233 V CA 0.066 62.363 62.300 -0.005 0.000 0.966 233 V CB -1.441 30.384 31.823 0.004 0.000 1.015 233 V HN 0.188 8.360 8.190 -0.030 0.000 0.477 234 T N 3.797 118.326 114.554 -0.041 0.000 2.883 234 T HA 0.516 nan 4.350 nan 0.000 0.296 234 T C -2.890 171.750 174.700 -0.100 0.000 1.117 234 T CA -3.433 58.619 62.100 -0.081 0.000 1.006 234 T CB 1.383 70.235 68.868 -0.027 0.000 1.191 234 T HN -0.320 7.916 8.240 -0.005 0.000 0.508 235 P HA 0.108 nan 4.420 nan 0.000 0.274 235 P C -0.614 176.548 177.300 -0.231 0.000 1.256 235 P CA -1.004 61.983 63.100 -0.189 0.000 0.795 235 P CB 0.838 32.468 31.700 -0.117 0.000 1.038 236 G N -2.629 105.822 108.800 -0.582 0.000 2.544 236 G HA2 0.015 nan 3.960 nan 0.000 0.242 236 G HA3 0.015 nan 3.960 nan 0.000 0.242 236 G C 1.213 176.005 174.900 -0.179 0.000 1.247 236 G CA -0.636 44.057 45.100 -0.678 0.000 0.840 236 G HN 0.197 8.014 8.290 -0.619 0.102 0.578 237 H N 5.038 124.028 119.070 -0.133 0.000 2.422 237 H HA -0.456 nan 4.556 nan 0.000 0.298 237 H C 1.291 176.586 175.328 -0.055 0.000 1.098 237 H CA 2.489 58.499 56.048 -0.063 0.000 1.315 237 H CB 0.288 30.031 29.762 -0.031 0.000 1.382 237 H HN 0.752 8.919 8.280 -0.187 0.000 0.523 238 A N -2.624 120.229 122.820 0.054 0.000 2.251 238 A HA 0.044 nan 4.320 nan 0.000 0.209 238 A C -0.763 176.820 177.584 -0.003 0.000 1.187 238 A CA -0.504 51.546 52.037 0.022 0.000 0.823 238 A CB 0.068 19.079 19.000 0.018 0.000 0.846 238 A HN -0.225 7.903 8.150 0.008 0.028 0.486 239 C N -0.801 118.485 119.300 -0.022 0.000 2.637 239 C HA -0.061 nan 4.460 nan 0.000 0.418 239 C C 1.974 176.980 174.990 0.026 0.000 1.319 239 C CA 1.298 60.315 59.018 -0.001 0.000 1.949 239 C CB 0.130 27.874 27.740 0.007 0.000 2.639 239 C HN -0.238 7.771 8.230 -0.036 0.200 0.594 240 T N 1.685 116.250 114.554 0.019 0.000 2.937 240 T HA -0.126 nan 4.350 nan 0.000 0.260 240 T C 0.200 174.891 174.700 -0.015 0.000 1.051 240 T CA 0.864 62.966 62.100 0.002 0.000 1.141 240 T CB -0.153 68.711 68.868 -0.006 0.000 0.879 240 T HN 0.286 8.537 8.240 0.018 0.000 0.459 241 Q N 2.764 122.552 119.800 -0.019 0.000 2.274 241 Q HA -0.154 nan 4.340 nan 0.000 0.280 241 Q C -0.828 175.074 176.000 -0.162 0.000 1.047 241 Q CA 0.452 56.173 55.803 -0.136 0.000 0.907 241 Q CB 0.720 29.330 28.738 -0.214 0.000 1.171 241 Q HN -0.159 8.121 8.270 0.017 0.000 0.381 242 K N 5.837 126.107 120.400 -0.217 0.000 2.227 242 K HA 0.091 nan 4.320 nan 0.000 0.280 242 K C -0.566 175.872 176.600 -0.271 0.000 1.041 242 K CA -0.266 55.936 56.287 -0.142 0.000 0.905 242 K CB 0.686 33.124 32.500 -0.102 0.000 1.068 242 K HN 0.159 8.277 8.250 -0.220 0.000 0.470 243 Y N 2.468 122.724 120.300 -0.073 0.000 2.420 243 Y HA 0.118 nan 4.550 nan 0.000 0.334 243 Y C 0.042 175.856 175.900 -0.145 0.000 1.094 243 Y CA -0.953 57.100 58.100 -0.078 0.000 1.126 243 Y CB 2.250 40.680 38.460 -0.050 0.000 1.217 243 Y HN 0.050 8.442 8.280 0.186 0.000 0.462 244 S N 1.281 116.999 115.700 0.030 0.000 2.603 244 S HA 0.157 nan 4.470 nan 0.000 0.268 244 S C 1.091 175.654 174.600 -0.062 0.000 1.317 244 S CA -0.945 57.207 58.200 -0.079 0.000 1.012 244 S CB 2.468 65.664 63.200 -0.007 0.000 0.926 244 S HN 0.598 9.350 8.310 0.085 -0.391 0.539 245 H N 3.032 122.141 119.070 0.065 0.000 2.491 245 H HA -0.227 nan 4.556 nan 0.000 0.290 245 H C 2.310 177.664 175.328 0.043 0.000 1.050 245 H CA 4.007 60.084 56.048 0.049 0.000 1.309 245 H CB 0.042 29.829 29.762 0.042 0.000 1.392 245 H HN 0.568 8.719 8.280 -0.216 0.000 0.554 246 E N -0.165 120.123 120.200 0.145 0.000 2.072 246 E HA -0.328 nan 4.350 nan 0.000 0.191 246 E C 2.206 178.857 176.600 0.085 0.000 0.985 246 E CA 3.364 59.826 56.400 0.102 0.000 0.801 246 E CB -0.345 29.404 29.700 0.081 0.000 0.750 246 E HN 0.532 8.935 8.360 0.127 0.033 0.452 247 E N -0.160 120.094 120.200 0.090 0.000 2.051 247 E HA -0.305 nan 4.350 nan 0.000 0.192 247 E C 2.613 179.245 176.600 0.053 0.000 0.991 247 E CA 2.869 59.324 56.400 0.092 0.000 0.799 247 E CB -0.065 29.736 29.700 0.167 0.000 0.748 247 E HN -0.768 7.562 8.360 0.092 0.085 0.449 248 I N -0.545 120.051 120.570 0.045 0.000 2.208 248 I HA -0.515 nan 4.170 nan 0.000 0.245 248 I C 1.695 177.817 176.117 0.008 0.000 1.097 248 I CA 3.837 65.139 61.300 0.004 0.000 1.363 248 I CB -0.288 37.727 38.000 0.025 0.000 1.051 248 I HN -0.422 7.830 8.210 0.070 0.000 0.413 249 A N -0.012 122.830 122.820 0.036 0.000 1.877 249 A HA -0.342 nan 4.320 nan 0.000 0.216 249 A C 2.215 179.828 177.584 0.049 0.000 1.186 249 A CA 3.318 55.374 52.037 0.032 0.000 0.620 249 A CB -0.760 18.273 19.000 0.055 0.000 0.822 249 A HN -0.066 8.123 8.150 0.065 0.000 0.443 250 M N -1.721 117.912 119.600 0.055 0.000 2.117 250 M HA -0.356 nan 4.480 nan 0.000 0.262 250 M C 2.461 178.796 176.300 0.058 0.000 1.065 250 M CA 2.301 57.637 55.300 0.061 0.000 1.114 250 M CB -0.770 31.866 32.600 0.059 0.000 1.361 250 M HN -0.032 8.293 8.290 0.057 0.000 0.408 251 A N -1.197 121.647 122.820 0.040 0.000 1.902 251 A HA -0.319 nan 4.320 nan 0.000 0.217 251 A C 2.080 179.691 177.584 0.045 0.000 1.181 251 A CA 3.594 55.651 52.037 0.033 0.000 0.623 251 A CB -0.903 18.095 19.000 -0.004 0.000 0.818 251 A HN 0.348 8.517 8.150 0.032 0.000 0.443 252 T N 2.310 116.887 114.554 0.038 0.000 2.674 252 T HA -0.308 nan 4.350 nan 0.000 0.265 252 T C 2.035 176.811 174.700 0.127 0.000 1.039 252 T CA 5.033 67.171 62.100 0.063 0.000 1.150 252 T CB -0.324 68.537 68.868 -0.011 0.000 0.864 252 T HN -0.114 8.137 8.240 0.019 0.000 0.427 253 V N 1.095 121.091 119.914 0.137 0.000 2.343 253 V HA -0.411 nan 4.120 nan 0.000 0.247 253 V C 1.793 177.999 176.094 0.185 0.000 1.051 253 V CA 4.991 67.410 62.300 0.199 0.000 1.036 253 V CB -0.971 30.961 31.823 0.181 0.000 0.654 253 V HN 0.377 8.629 8.190 0.103 0.000 0.451 254 T N 1.179 115.809 114.554 0.127 0.000 2.708 254 T HA -0.336 nan 4.350 nan 0.000 0.266 254 T C 1.396 176.158 174.700 0.103 0.000 1.037 254 T CA 5.076 67.240 62.100 0.107 0.000 1.146 254 T CB -0.613 68.303 68.868 0.079 0.000 0.865 254 T HN -0.105 8.199 8.240 0.107 0.000 0.435 255 A N 1.301 124.173 122.820 0.087 0.000 1.883 255 A HA -0.251 nan 4.320 nan 0.000 0.217 255 A C 1.977 179.597 177.584 0.060 0.000 1.186 255 A CA 3.190 55.264 52.037 0.063 0.000 0.624 255 A CB -0.945 18.085 19.000 0.051 0.000 0.822 255 A HN -0.361 7.840 8.150 0.085 0.000 0.444 256 L N -2.559 118.706 121.223 0.070 0.000 2.046 256 L HA -0.459 nan 4.340 nan 0.000 0.208 256 L C 2.469 179.442 176.870 0.173 0.000 1.077 256 L CA 3.047 57.878 54.840 -0.015 0.000 0.747 256 L CB -0.569 41.379 42.059 -0.184 0.000 0.896 256 L HN -0.277 8.011 8.230 0.098 0.000 0.432 257 R N -0.990 119.706 120.500 0.325 0.000 2.120 257 R HA -0.320 nan 4.340 nan 0.000 0.234 257 R C 2.231 178.636 176.300 0.174 0.000 1.123 257 R CA 3.215 59.512 56.100 0.328 0.000 0.975 257 R CB -0.252 30.172 30.300 0.206 0.000 0.866 257 R HN 0.059 8.499 8.270 0.283 0.000 0.446 258 R N -4.177 116.390 120.500 0.111 0.000 2.299 258 R HA -0.002 nan 4.340 nan 0.000 0.197 258 R C 0.684 177.007 176.300 0.038 0.000 0.971 258 R CA 1.770 57.908 56.100 0.062 0.000 1.030 258 R CB 0.329 30.656 30.300 0.045 0.000 0.932 258 R HN -0.248 7.983 8.270 0.111 0.106 0.477 259 T N -8.080 106.492 114.554 0.030 0.000 3.048 259 T HA 0.140 nan 4.350 nan 0.000 0.254 259 T C 0.068 174.684 174.700 -0.139 0.000 0.942 259 T CA 0.219 62.313 62.100 -0.010 0.000 0.931 259 T CB 1.683 70.564 68.868 0.020 0.000 1.220 259 T HN -0.545 7.556 8.240 0.053 0.171 0.503 260 V N 5.471 125.280 119.914 -0.174 0.000 2.368 260 V HA 0.419 nan 4.120 nan 0.000 0.266 260 V C -2.078 173.962 176.094 -0.090 0.000 1.045 260 V CA -2.798 59.242 62.300 -0.434 0.000 0.899 260 V CB -0.910 30.546 31.823 -0.612 0.000 1.006 260 V HN 0.070 8.228 8.190 -0.054 0.000 0.470 261 P HA 0.256 nan 4.420 nan 0.000 0.269 261 P C -1.131 176.267 177.300 0.163 0.000 1.215 261 P CA -0.979 62.093 63.100 -0.046 0.000 0.780 261 P CB -0.617 31.003 31.700 -0.134 0.000 0.898 262 P HA -0.189 nan 4.420 nan 0.000 0.219 262 P C -0.468 176.866 177.300 0.058 0.000 1.146 262 P CA 1.985 65.085 63.100 -0.001 0.000 0.808 262 P CB -0.131 31.505 31.700 -0.108 0.000 0.779 263 A N -3.842 118.995 122.820 0.029 0.000 2.067 263 A HA -0.057 nan 4.320 nan 0.000 0.219 263 A C 0.333 177.911 177.584 -0.010 0.000 1.158 263 A CA 0.296 52.330 52.037 -0.005 0.000 0.661 263 A CB -0.146 18.830 19.000 -0.039 0.000 0.801 263 A HN -0.411 7.710 8.150 0.011 0.035 0.452 264 V N -0.326 119.612 119.914 0.040 0.000 2.485 264 V HA -0.201 nan 4.120 nan 0.000 0.287 264 V C 0.800 176.907 176.094 0.021 0.000 1.022 264 V CA 1.487 63.783 62.300 -0.007 0.000 1.067 264 V CB -0.681 31.093 31.823 -0.081 0.000 0.967 264 V HN -0.686 7.517 8.190 0.086 0.038 0.479 265 T N 6.981 121.469 114.554 -0.110 0.000 2.746 265 T HA -0.105 nan 4.350 nan 0.000 0.267 265 T C -0.478 174.137 174.700 -0.142 0.000 1.039 265 T CA 4.014 65.984 62.100 -0.217 0.000 1.142 265 T CB 0.629 69.221 68.868 -0.461 0.000 0.866 265 T HN 0.286 8.441 8.240 -0.143 0.000 0.444 266 G N -3.993 104.717 108.800 -0.150 0.000 2.673 266 G HA2 0.424 nan 3.960 nan 0.000 0.292 266 G HA3 0.424 nan 3.960 nan 0.000 0.292 266 G C -3.311 171.443 174.900 -0.243 0.000 1.450 266 G CA 0.326 45.337 45.100 -0.148 0.000 0.837 266 G HN -0.776 7.412 8.290 -0.170 0.000 0.505 267 V N 0.324 120.056 119.914 -0.303 0.000 2.378 267 V HA 0.681 nan 4.120 nan 0.000 0.288 267 V C -1.175 174.622 176.094 -0.496 0.000 1.016 267 V CA -1.680 60.325 62.300 -0.493 0.000 0.840 267 V CB 1.844 33.241 31.823 -0.709 0.000 0.994 267 V HN 0.794 8.747 8.190 -0.217 0.107 0.431 268 T N 3.886 118.190 114.554 -0.417 0.000 2.947 268 T HA 0.534 nan 4.350 nan 0.000 0.337 268 T C -0.108 174.474 174.700 -0.198 0.000 1.139 268 T CA -2.949 58.976 62.100 -0.292 0.000 0.992 268 T CB -0.272 68.459 68.868 -0.228 0.000 1.043 268 T HN 0.464 8.486 8.240 -0.364 0.000 0.498 269 F N 6.199 126.164 119.950 0.025 0.000 2.563 269 F HA 0.043 nan 4.527 nan 0.000 0.363 269 F C -0.590 175.384 175.800 0.290 0.000 1.123 269 F CA 0.939 59.022 58.000 0.139 0.000 1.307 269 F CB 0.872 39.989 39.000 0.195 0.000 1.115 269 F HN 0.515 8.775 8.300 -0.067 0.000 0.592 270 L N -2.791 118.711 121.223 0.465 0.000 2.343 270 L HA 0.450 nan 4.340 nan 0.000 0.275 270 L C -0.269 176.775 176.870 0.291 0.000 1.056 270 L CA -0.927 54.136 54.840 0.371 0.000 0.804 270 L CB 0.594 42.778 42.059 0.208 0.000 1.203 270 L HN -0.343 8.147 8.230 0.434 0.000 0.440 271 S N 1.500 117.227 115.700 0.046 0.000 2.461 271 S HA -0.127 nan 4.470 nan 0.000 0.228 271 S C 1.444 176.001 174.600 -0.071 0.000 1.005 271 S CA 1.573 59.620 58.200 -0.255 0.000 0.942 271 S CB -0.075 62.721 63.200 -0.672 0.000 0.776 271 S HN 0.547 8.914 8.310 0.096 0.000 0.514 272 G N 0.972 109.775 108.800 0.006 0.000 2.390 272 G HA2 -0.367 nan 3.960 nan 0.000 0.299 272 G HA3 -0.367 nan 3.960 nan 0.000 0.299 272 G C -0.174 174.775 174.900 0.081 0.000 1.002 272 G CA 0.387 45.511 45.100 0.040 0.000 0.979 272 G HN 0.225 8.508 8.290 0.027 0.024 0.513 273 G N -4.003 104.825 108.800 0.046 0.000 2.141 273 G HA2 -0.511 nan 3.960 nan 0.000 0.242 273 G HA3 -0.511 nan 3.960 nan 0.000 0.242 273 G C 0.206 175.116 174.900 0.017 0.000 0.982 273 G CA -0.224 44.916 45.100 0.066 0.000 0.662 273 G HN 0.289 8.580 8.290 0.002 0.000 0.527 274 Q N 1.609 121.398 119.800 -0.019 0.000 2.306 274 Q HA 0.126 nan 4.340 nan 0.000 0.241 274 Q C -0.022 175.930 176.000 -0.080 0.000 0.948 274 Q CA -0.365 55.411 55.803 -0.044 0.000 0.886 274 Q CB 1.024 29.718 28.738 -0.073 0.000 1.227 274 Q HN -0.429 7.668 8.270 -0.049 0.143 0.457 275 S N 2.578 118.244 115.700 -0.056 0.000 2.589 275 S HA 0.012 nan 4.470 nan 0.000 0.265 275 S C 0.836 175.393 174.600 -0.072 0.000 1.342 275 S CA -1.023 57.147 58.200 -0.050 0.000 1.005 275 S CB 1.571 64.757 63.200 -0.023 0.000 0.909 275 S HN 0.014 8.558 8.310 -0.036 -0.255 0.555 276 E N 3.341 123.508 120.200 -0.054 0.000 2.058 276 E HA -0.480 nan 4.350 nan 0.000 0.194 276 E C 1.847 178.411 176.600 -0.059 0.000 0.997 276 E CA 3.874 60.238 56.400 -0.061 0.000 0.801 276 E CB -0.407 29.281 29.700 -0.020 0.000 0.746 276 E HN 0.666 9.006 8.360 -0.033 0.000 0.450 277 E N -1.503 118.685 120.200 -0.020 0.000 2.077 277 E HA -0.318 nan 4.350 nan 0.000 0.193 277 E C 1.910 178.504 176.600 -0.010 0.000 0.989 277 E CA 2.739 59.146 56.400 0.011 0.000 0.800 277 E CB -0.448 29.277 29.700 0.041 0.000 0.746 277 E HN -0.269 8.086 8.360 -0.010 0.000 0.452 278 E N -0.210 119.979 120.200 -0.019 0.000 2.058 278 E HA -0.359 nan 4.350 nan 0.000 0.194 278 E C 2.092 178.656 176.600 -0.060 0.000 0.997 278 E CA 2.930 59.318 56.400 -0.020 0.000 0.801 278 E CB -0.099 29.616 29.700 0.025 0.000 0.746 278 E HN -0.591 7.760 8.360 -0.014 0.000 0.450 279 A N -1.554 121.207 122.820 -0.099 0.000 1.933 279 A HA -0.247 nan 4.320 nan 0.000 0.218 279 A C 2.797 180.382 177.584 0.002 0.000 1.175 279 A CA 3.274 55.231 52.037 -0.132 0.000 0.628 279 A CB -0.798 17.936 19.000 -0.443 0.000 0.814 279 A HN 0.166 8.249 8.150 -0.110 0.000 0.444 280 S N -0.158 115.499 115.700 -0.071 0.000 2.371 280 S HA -0.246 nan 4.470 nan 0.000 0.224 280 S C 2.190 176.717 174.600 -0.121 0.000 1.029 280 S CA 3.771 61.845 58.200 -0.210 0.000 0.978 280 S CB -0.174 62.701 63.200 -0.542 0.000 0.833 280 S HN -0.622 7.630 8.310 -0.097 0.000 0.466 281 I N 2.525 123.076 120.570 -0.031 0.000 2.179 281 I HA -0.559 nan 4.170 nan 0.000 0.242 281 I C 1.691 177.741 176.117 -0.110 0.000 1.088 281 I CA 4.379 65.658 61.300 -0.036 0.000 1.357 281 I CB -0.440 37.404 38.000 -0.260 0.000 1.051 281 I HN 0.308 8.493 8.210 -0.042 0.000 0.409 282 N N -0.302 118.326 118.700 -0.119 0.000 2.188 282 N HA -0.246 nan 4.740 nan 0.000 0.184 282 N C 2.372 177.861 175.510 -0.035 0.000 1.018 282 N CA 3.142 56.163 53.050 -0.049 0.000 0.858 282 N CB -0.356 38.121 38.487 -0.016 0.000 0.989 282 N HN -0.040 8.268 8.380 -0.120 0.000 0.426 283 L N 0.192 121.413 121.223 -0.004 0.000 2.083 283 L HA -0.304 nan 4.340 nan 0.000 0.209 283 L C 1.401 178.304 176.870 0.055 0.000 1.083 283 L CA 3.061 57.922 54.840 0.035 0.000 0.752 283 L CB -0.129 41.992 42.059 0.104 0.000 0.899 283 L HN -0.359 7.877 8.230 0.010 0.000 0.433 284 N N -0.699 118.035 118.700 0.057 0.000 2.106 284 N HA -0.334 nan 4.740 nan 0.000 0.188 284 N C 1.981 177.538 175.510 0.078 0.000 1.029 284 N CA 3.319 56.427 53.050 0.096 0.000 0.848 284 N CB -0.016 38.576 38.487 0.175 0.000 1.007 284 N HN -0.190 8.121 8.380 0.038 0.092 0.423 285 A N -0.244 122.610 122.820 0.057 0.000 1.908 285 A HA -0.287 nan 4.320 nan 0.000 0.218 285 A C 2.269 179.891 177.584 0.062 0.000 1.181 285 A CA 2.874 54.948 52.037 0.061 0.000 0.627 285 A CB -0.627 18.416 19.000 0.070 0.000 0.818 285 A HN -0.140 8.034 8.150 0.040 0.000 0.445 286 I N -2.671 117.928 120.570 0.048 0.000 2.226 286 I HA -0.623 nan 4.170 nan 0.000 0.245 286 I C 1.641 177.824 176.117 0.111 0.000 1.100 286 I CA 3.991 65.330 61.300 0.064 0.000 1.374 286 I CB -0.281 37.730 38.000 0.017 0.000 1.057 286 I HN -0.057 8.164 8.210 0.026 0.004 0.413 287 N N -1.981 116.785 118.700 0.110 0.000 2.459 287 N HA -0.202 nan 4.740 nan 0.000 0.181 287 N C 2.179 177.740 175.510 0.085 0.000 1.046 287 N CA 2.791 55.908 53.050 0.112 0.000 0.904 287 N CB 0.011 38.564 38.487 0.111 0.000 0.964 287 N HN -0.525 7.827 8.380 0.098 0.087 0.444 288 K N -1.580 118.865 120.400 0.076 0.000 2.379 288 K HA 0.011 nan 4.320 nan 0.000 0.194 288 K C -0.201 176.433 176.600 0.058 0.000 1.031 288 K CA 0.111 56.434 56.287 0.061 0.000 1.037 288 K CB 0.306 32.840 32.500 0.056 0.000 0.824 288 K HN -0.557 7.579 8.250 0.078 0.160 0.516 289 C N 4.583 123.924 119.300 0.068 0.000 2.517 289 C HA 0.073 nan 4.460 nan 0.000 0.403 289 C C 0.011 175.033 174.990 0.054 0.000 1.467 289 C CA -1.741 57.316 59.018 0.065 0.000 1.542 289 C CB -0.384 27.405 27.740 0.082 0.000 2.482 289 C HN -0.286 7.830 8.230 0.077 0.161 0.610 290 P HA -0.155 nan 4.420 nan 0.000 0.226 290 P C -0.800 176.514 177.300 0.024 0.000 1.146 290 P CA 1.084 64.202 63.100 0.030 0.000 0.773 290 P CB -0.149 31.567 31.700 0.027 0.000 0.772 291 L N -1.627 119.616 121.223 0.033 0.000 2.452 291 L HA 0.000 nan 4.340 nan 0.000 0.267 291 L C -0.399 176.471 176.870 0.001 0.000 1.188 291 L CA -1.007 53.847 54.840 0.023 0.000 0.821 291 L CB 0.505 42.591 42.059 0.045 0.000 1.102 291 L HN -0.787 7.407 8.230 0.047 0.064 0.470 292 L N 0.673 121.875 121.223 -0.036 0.000 2.410 292 L HA -0.031 nan 4.340 nan 0.000 0.273 292 L C -0.815 175.953 176.870 -0.170 0.000 1.144 292 L CA 0.500 55.285 54.840 -0.093 0.000 0.863 292 L CB 0.441 42.433 42.059 -0.112 0.000 1.140 292 L HN 0.118 8.329 8.230 -0.030 0.000 0.463 293 K N 7.162 127.439 120.400 -0.206 0.000 2.521 293 K HA 0.344 nan 4.320 nan 0.000 0.248 293 K C -1.897 174.387 176.600 -0.527 0.000 0.978 293 K CA -2.042 54.023 56.287 -0.369 0.000 0.947 293 K CB 0.082 32.589 32.500 0.012 0.000 1.165 293 K HN 0.339 8.504 8.250 -0.141 0.000 0.445 294 P HA -0.005 nan 4.420 nan 0.000 0.253 294 P C -1.575 175.367 177.300 -0.596 0.000 1.260 294 P CA 0.191 62.839 63.100 -0.753 0.000 0.800 294 P CB 0.352 31.588 31.700 -0.774 0.000 1.162 295 W N -4.561 116.711 121.300 -0.046 0.000 2.962 295 W HA 0.198 nan 4.660 nan 0.000 0.341 295 W C -1.333 175.149 176.519 -0.061 0.000 1.155 295 W CA -2.357 54.946 57.345 -0.071 0.000 1.165 295 W CB 1.123 30.521 29.460 -0.103 0.000 1.435 295 W HN -0.953 6.898 8.180 -0.424 0.075 0.546 296 A N -0.382 122.550 122.820 0.186 0.000 2.477 296 A HA 0.149 nan 4.320 nan 0.000 0.246 296 A C -1.714 175.922 177.584 0.086 0.000 1.078 296 A CA 0.463 52.553 52.037 0.087 0.000 0.770 296 A CB 0.869 19.862 19.000 -0.010 0.000 1.011 296 A HN 0.245 8.481 8.150 0.143 0.000 0.494 297 L N 4.105 125.396 121.223 0.114 0.000 2.337 297 L HA 0.536 nan 4.340 nan 0.000 0.269 297 L C -1.123 175.831 176.870 0.140 0.000 1.018 297 L CA -0.980 53.947 54.840 0.145 0.000 0.876 297 L CB -0.176 42.070 42.059 0.313 0.000 1.236 297 L HN 0.404 8.705 8.230 0.119 0.000 0.436 298 T N 2.701 117.274 114.554 0.032 0.000 2.604 298 T HA 0.512 nan 4.350 nan 0.000 0.267 298 T C -2.271 172.437 174.700 0.014 0.000 0.923 298 T CA -2.327 59.778 62.100 0.010 0.000 1.077 298 T CB 3.388 72.134 68.868 -0.203 0.000 1.392 298 T HN 0.536 8.724 8.240 -0.087 0.000 0.531 299 F N -4.349 115.453 119.950 -0.248 0.000 2.556 299 F HA 1.003 nan 4.527 nan 0.000 0.327 299 F C -1.622 173.981 175.800 -0.329 0.000 1.059 299 F CA -3.381 54.307 58.000 -0.519 0.000 0.953 299 F CB 2.883 41.139 39.000 -1.241 0.000 1.227 299 F HN -0.033 7.856 8.300 -0.684 0.000 0.478 300 S N 0.333 116.001 115.700 -0.053 0.000 2.440 300 S HA 0.209 nan 4.470 nan 0.000 0.142 300 S C -1.845 172.984 174.600 0.380 0.000 1.578 300 S CA -0.401 57.850 58.200 0.084 0.000 1.260 300 S CB 0.304 63.535 63.200 0.051 0.000 1.407 300 S HN 0.364 8.699 8.310 0.042 0.000 0.392 301 Y N 2.926 123.405 120.300 0.299 0.000 2.334 301 Y HA 0.269 nan 4.550 nan 0.000 0.328 301 Y C -0.702 175.292 175.900 0.156 0.000 1.130 301 Y CA -1.963 56.264 58.100 0.211 0.000 1.163 301 Y CB 1.539 40.110 38.460 0.185 0.000 1.207 301 Y HN -0.338 8.234 8.280 0.485 0.000 0.471 302 G N 1.813 110.766 108.800 0.254 0.000 2.651 302 G HA2 0.101 nan 3.960 nan 0.000 0.226 302 G HA3 0.101 nan 3.960 nan 0.000 0.226 302 G C 0.922 175.894 174.900 0.119 0.000 1.542 302 G CA 0.536 45.728 45.100 0.154 0.000 0.868 302 G HN 0.398 8.813 8.290 0.209 0.000 0.588 303 R N 2.606 123.147 120.500 0.069 0.000 2.148 303 R HA -0.146 nan 4.340 nan 0.000 0.223 303 R C 1.424 177.743 176.300 0.031 0.000 1.088 303 R CA 2.366 58.495 56.100 0.048 0.000 0.985 303 R CB -0.793 29.518 30.300 0.019 0.000 0.880 303 R HN 0.308 8.613 8.270 0.058 0.000 0.451 304 A N -1.047 121.763 122.820 -0.016 0.000 2.209 304 A HA -0.101 nan 4.320 nan 0.000 0.212 304 A C 0.694 178.313 177.584 0.058 0.000 1.158 304 A CA 2.079 54.072 52.037 -0.074 0.000 0.742 304 A CB -0.619 18.145 19.000 -0.394 0.000 0.790 304 A HN 0.094 8.200 8.150 -0.026 0.029 0.472 305 L N -6.074 115.239 121.223 0.150 0.000 2.701 305 L HA 0.179 nan 4.340 nan 0.000 0.238 305 L C 0.389 177.399 176.870 0.232 0.000 1.106 305 L CA 0.370 55.342 54.840 0.219 0.000 0.898 305 L CB 1.071 43.324 42.059 0.324 0.000 1.188 305 L HN -0.722 7.431 8.230 0.152 0.168 0.508 306 Q N -3.348 116.543 119.800 0.152 0.000 2.322 306 Q HA 0.080 nan 4.340 nan 0.000 0.250 306 Q C 1.463 177.552 176.000 0.148 0.000 0.853 306 Q CA 0.663 56.555 55.803 0.147 0.000 0.951 306 Q CB 1.805 30.634 28.738 0.152 0.000 1.114 306 Q HN -0.751 7.460 8.270 0.126 0.135 0.523 307 A N 1.549 124.432 122.820 0.104 0.000 1.881 307 A HA -0.427 nan 4.320 nan 0.000 0.219 307 A C 1.781 179.425 177.584 0.099 0.000 1.215 307 A CA 3.716 55.801 52.037 0.081 0.000 0.648 307 A CB -0.865 18.163 19.000 0.046 0.000 0.832 307 A HN 0.365 8.567 8.150 0.087 0.000 0.455 308 S N -1.379 114.383 115.700 0.102 0.000 2.383 308 S HA -0.341 nan 4.470 nan 0.000 0.227 308 S C 1.853 176.543 174.600 0.149 0.000 1.026 308 S CA 2.934 61.199 58.200 0.109 0.000 0.981 308 S CB -0.268 62.986 63.200 0.091 0.000 0.818 308 S HN -0.343 8.330 8.310 0.094 -0.307 0.472 309 A N 2.114 125.041 122.820 0.179 0.000 1.902 309 A HA -0.139 nan 4.320 nan 0.000 0.217 309 A C 2.142 179.909 177.584 0.306 0.000 1.181 309 A CA 2.697 54.863 52.037 0.214 0.000 0.623 309 A CB -0.787 18.318 19.000 0.175 0.000 0.818 309 A HN -0.680 7.573 8.150 0.173 0.000 0.443 310 L N -1.402 120.003 121.223 0.303 0.000 2.017 310 L HA -0.365 nan 4.340 nan 0.000 0.208 310 L C 1.452 178.480 176.870 0.264 0.000 1.073 310 L CA 3.075 58.098 54.840 0.306 0.000 0.745 310 L CB -0.352 41.776 42.059 0.115 0.000 0.894 310 L HN 0.126 8.507 8.230 0.251 0.000 0.432 311 K N -0.942 119.559 120.400 0.168 0.000 1.991 311 K HA -0.422 nan 4.320 nan 0.000 0.212 311 K C 1.568 178.250 176.600 0.137 0.000 1.049 311 K CA 3.196 59.552 56.287 0.115 0.000 0.932 311 K CB 0.016 32.566 32.500 0.084 0.000 0.717 311 K HN -0.302 8.039 8.250 0.151 0.000 0.441 312 A N -2.799 120.120 122.820 0.165 0.000 2.076 312 A HA -0.152 nan 4.320 nan 0.000 0.220 312 A C 1.266 178.996 177.584 0.242 0.000 1.160 312 A CA 2.106 54.244 52.037 0.169 0.000 0.653 312 A CB -0.254 18.842 19.000 0.160 0.000 0.801 312 A HN -0.052 8.196 8.150 0.163 0.000 0.455 313 W N -0.711 120.647 121.300 0.096 0.000 2.408 313 W HA -0.277 nan 4.660 nan 0.000 0.311 313 W C 1.212 177.780 176.519 0.081 0.000 1.190 313 W CA 1.121 58.539 57.345 0.122 0.000 1.321 313 W CB 1.072 30.640 29.460 0.181 0.000 1.143 313 W HN -0.579 7.697 8.180 0.415 0.153 0.501 314 G N -4.138 104.594 108.800 -0.114 0.000 2.284 314 G HA2 -0.531 nan 3.960 nan 0.000 0.268 314 G HA3 -0.531 nan 3.960 nan 0.000 0.268 314 G C -0.373 174.146 174.900 -0.636 0.000 0.980 314 G CA 1.084 46.003 45.100 -0.300 0.000 0.631 314 G HN 0.010 8.355 8.290 0.092 0.000 0.548 315 G N -3.283 104.734 108.800 -1.305 0.000 2.231 315 G HA2 -0.321 nan 3.960 nan 0.000 0.206 315 G HA3 -0.321 nan 3.960 nan 0.000 0.206 315 G C -0.538 173.945 174.900 -0.696 0.000 0.996 315 G CA -0.385 43.949 45.100 -1.276 0.000 0.645 315 G HN -0.685 6.416 8.290 -1.785 0.118 0.498 316 K N 1.542 121.673 120.400 -0.448 0.000 2.234 316 K HA 0.122 nan 4.320 nan 0.000 0.282 316 K C 0.668 177.308 176.600 0.066 0.000 1.039 316 K CA -1.035 55.164 56.287 -0.146 0.000 0.928 316 K CB 0.285 32.739 32.500 -0.077 0.000 1.039 316 K HN -0.555 7.341 8.250 -0.487 0.062 0.470 317 K N 5.908 126.343 120.400 0.059 0.000 2.147 317 K HA -0.350 nan 4.320 nan 0.000 0.205 317 K C 2.255 178.995 176.600 0.232 0.000 1.049 317 K CA 3.413 59.799 56.287 0.165 0.000 0.936 317 K CB -0.090 32.430 32.500 0.033 0.000 0.722 317 K HN 0.765 8.997 8.250 -0.030 0.000 0.446 318 E N -1.850 118.435 120.200 0.140 0.000 2.153 318 E HA -0.253 nan 4.350 nan 0.000 0.194 318 E C 1.334 178.030 176.600 0.160 0.000 0.988 318 E CA 2.558 59.033 56.400 0.125 0.000 0.811 318 E CB -0.442 29.302 29.700 0.073 0.000 0.746 318 E HN 0.454 8.849 8.360 0.087 0.017 0.466 319 N N -0.341 118.483 118.700 0.207 0.000 2.461 319 N HA -0.111 nan 4.740 nan 0.000 0.188 319 N C 1.176 176.873 175.510 0.311 0.000 1.134 319 N CA 0.382 53.575 53.050 0.238 0.000 0.878 319 N CB -0.046 38.581 38.487 0.233 0.000 0.972 319 N HN -0.606 7.753 8.380 0.208 0.145 0.456 320 L N 1.439 122.863 121.223 0.334 0.000 1.978 320 L HA -0.456 nan 4.340 nan 0.000 0.218 320 L C 0.719 177.673 176.870 0.140 0.000 1.075 320 L CA 4.232 59.229 54.840 0.261 0.000 0.767 320 L CB -0.223 41.986 42.059 0.250 0.000 0.890 320 L HN -0.173 8.076 8.230 0.336 0.182 0.434 321 K N -2.092 118.382 120.400 0.123 0.000 2.057 321 K HA -0.424 nan 4.320 nan 0.000 0.207 321 K C 1.905 178.560 176.600 0.093 0.000 1.049 321 K CA 3.312 59.651 56.287 0.086 0.000 0.931 321 K CB -0.530 32.014 32.500 0.075 0.000 0.714 321 K HN 0.025 8.357 8.250 0.137 0.000 0.440 322 A N -1.340 121.550 122.820 0.115 0.000 1.865 322 A HA -0.230 nan 4.320 nan 0.000 0.217 322 A C 2.067 179.727 177.584 0.128 0.000 1.191 322 A CA 2.843 54.949 52.037 0.114 0.000 0.623 322 A CB -0.906 18.168 19.000 0.124 0.000 0.826 322 A HN -0.086 8.142 8.150 0.130 0.000 0.444 323 A N -2.479 120.441 122.820 0.166 0.000 1.877 323 A HA -0.389 nan 4.320 nan 0.000 0.216 323 A C 2.365 180.024 177.584 0.124 0.000 1.186 323 A CA 2.967 55.108 52.037 0.173 0.000 0.620 323 A CB -0.882 18.253 19.000 0.225 0.000 0.822 323 A HN -0.017 8.251 8.150 0.196 0.000 0.443 324 Q N -1.687 118.162 119.800 0.083 0.000 2.096 324 Q HA -0.442 nan 4.340 nan 0.000 0.204 324 Q C 2.470 178.535 176.000 0.108 0.000 0.982 324 Q CA 3.173 59.027 55.803 0.086 0.000 0.850 324 Q CB -0.120 28.641 28.738 0.038 0.000 0.901 324 Q HN -0.265 8.049 8.270 0.074 0.000 0.422 325 E N -0.121 120.125 120.200 0.077 0.000 2.058 325 E HA -0.351 nan 4.350 nan 0.000 0.194 325 E C 2.324 178.956 176.600 0.053 0.000 0.997 325 E CA 2.974 59.405 56.400 0.051 0.000 0.801 325 E CB -0.575 29.154 29.700 0.048 0.000 0.746 325 E HN -0.229 8.177 8.360 0.078 0.000 0.450 326 E N -1.265 118.986 120.200 0.086 0.000 2.118 326 E HA -0.349 nan 4.350 nan 0.000 0.195 326 E C 2.535 179.199 176.600 0.106 0.000 0.992 326 E CA 2.772 59.226 56.400 0.090 0.000 0.804 326 E CB -0.444 29.324 29.700 0.114 0.000 0.741 326 E HN -0.578 7.841 8.360 0.099 0.000 0.458 327 Y N 0.831 121.135 120.300 0.007 0.000 2.163 327 Y HA -0.344 nan 4.550 nan 0.000 0.288 327 Y C 1.883 177.772 175.900 -0.018 0.000 1.136 327 Y CA 2.885 60.978 58.100 -0.011 0.000 1.147 327 Y CB -0.140 38.295 38.460 -0.041 0.000 0.987 327 Y HN -0.465 7.850 8.280 0.226 0.100 0.509 328 V N 0.187 119.940 119.914 -0.269 0.000 2.282 328 V HA -0.617 nan 4.120 nan 0.000 0.249 328 V C 1.743 177.695 176.094 -0.236 0.000 1.057 328 V CA 4.894 66.994 62.300 -0.333 0.000 1.032 328 V CB -1.079 30.662 31.823 -0.137 0.000 0.645 328 V HN 0.325 8.494 8.190 -0.034 0.000 0.447 329 K N -0.940 119.387 120.400 -0.121 0.000 2.063 329 K HA -0.432 nan 4.320 nan 0.000 0.208 329 K C 2.106 178.644 176.600 -0.105 0.000 1.048 329 K CA 3.648 59.890 56.287 -0.075 0.000 0.928 329 K CB -0.201 32.287 32.500 -0.019 0.000 0.713 329 K HN 0.210 8.414 8.250 -0.077 0.000 0.442 330 R N -1.487 118.941 120.500 -0.121 0.000 2.092 330 R HA -0.235 nan 4.340 nan 0.000 0.231 330 R C 2.364 178.516 176.300 -0.246 0.000 1.119 330 R CA 1.871 57.888 56.100 -0.138 0.000 0.970 330 R CB -0.871 29.402 30.300 -0.044 0.000 0.864 330 R HN -0.587 7.542 8.270 -0.100 0.082 0.440 331 A N 0.142 122.771 122.820 -0.318 0.000 1.902 331 A HA -0.186 nan 4.320 nan 0.000 0.217 331 A C 2.308 179.758 177.584 -0.223 0.000 1.181 331 A CA 3.076 54.925 52.037 -0.314 0.000 0.623 331 A CB -0.886 17.844 19.000 -0.449 0.000 0.818 331 A HN 0.065 7.982 8.150 -0.390 0.000 0.443 332 L N -2.045 119.069 121.223 -0.182 0.000 2.017 332 L HA -0.464 nan 4.340 nan 0.000 0.208 332 L C 2.271 179.078 176.870 -0.104 0.000 1.073 332 L CA 3.004 57.783 54.840 -0.103 0.000 0.745 332 L CB -0.536 41.483 42.059 -0.067 0.000 0.894 332 L HN 0.059 8.166 8.230 -0.205 0.000 0.432 333 A N -1.377 121.353 122.820 -0.151 0.000 1.908 333 A HA -0.422 nan 4.320 nan 0.000 0.218 333 A C 2.156 179.461 177.584 -0.464 0.000 1.181 333 A CA 3.337 55.226 52.037 -0.247 0.000 0.627 333 A CB -0.880 17.942 19.000 -0.297 0.000 0.818 333 A HN 0.218 8.279 8.150 -0.147 0.000 0.445 334 N N -2.379 116.017 118.700 -0.505 0.000 2.331 334 N HA -0.224 nan 4.740 nan 0.000 0.180 334 N C 2.251 177.594 175.510 -0.278 0.000 1.019 334 N CA 2.806 55.457 53.050 -0.664 0.000 0.881 334 N CB -0.357 37.271 38.487 -1.432 0.000 0.972 334 N HN -0.146 7.955 8.380 -0.466 0.000 0.435 335 S N 1.543 117.184 115.700 -0.098 0.000 2.382 335 S HA -0.217 nan 4.470 nan 0.000 0.228 335 S C 1.584 176.221 174.600 0.063 0.000 1.027 335 S CA 3.008 61.272 58.200 0.106 0.000 0.991 335 S CB 0.044 63.282 63.200 0.062 0.000 0.823 335 S HN -0.207 7.889 8.310 -0.182 0.104 0.469 336 L N -0.782 120.453 121.223 0.020 0.000 2.072 336 L HA -0.152 nan 4.340 nan 0.000 0.205 336 L C 1.506 178.428 176.870 0.087 0.000 1.079 336 L CA 2.471 57.356 54.840 0.075 0.000 0.752 336 L CB 0.255 42.403 42.059 0.149 0.000 0.906 336 L HN -0.450 7.760 8.230 -0.028 0.004 0.436 337 A N -0.244 122.579 122.820 0.006 0.000 1.908 337 A HA -0.277 nan 4.320 nan 0.000 0.218 337 A C 2.132 179.760 177.584 0.074 0.000 1.181 337 A CA 3.087 55.134 52.037 0.016 0.000 0.627 337 A CB -0.873 18.015 19.000 -0.186 0.000 0.818 337 A HN 0.202 8.214 8.150 -0.121 0.066 0.445 338 C N -5.496 113.866 119.300 0.102 0.000 2.511 338 C HA -0.055 nan 4.460 nan 0.000 0.277 338 C C 0.764 175.816 174.990 0.104 0.000 1.451 338 C CA -0.053 59.050 59.018 0.141 0.000 1.735 338 C CB -2.048 25.809 27.740 0.195 0.000 1.704 338 C HN -0.132 8.155 8.230 0.095 0.000 0.571 339 Q N -0.378 119.477 119.800 0.091 0.000 2.164 339 Q HA 0.052 nan 4.340 nan 0.000 0.226 339 Q C 0.773 176.818 176.000 0.074 0.000 0.813 339 Q CA -1.026 54.822 55.803 0.074 0.000 0.978 339 Q CB 1.494 30.269 28.738 0.063 0.000 1.149 339 Q HN -0.353 7.757 8.270 0.092 0.215 0.489 340 G N 0.028 108.881 108.800 0.089 0.000 2.153 340 G HA2 -0.456 nan 3.960 nan 0.000 0.252 340 G HA3 -0.456 nan 3.960 nan 0.000 0.252 340 G C -0.450 174.499 174.900 0.083 0.000 0.994 340 G CA 0.989 46.141 45.100 0.086 0.000 0.698 340 G HN 0.094 8.319 8.290 0.097 0.123 0.521 341 K N -2.003 118.455 120.400 0.096 0.000 2.373 341 K HA 0.078 nan 4.320 nan 0.000 0.202 341 K C -0.452 176.222 176.600 0.123 0.000 1.025 341 K CA -1.362 54.976 56.287 0.085 0.000 1.115 341 K CB 0.497 33.039 32.500 0.069 0.000 0.858 341 K HN -0.351 7.920 8.250 0.105 0.042 0.525 342 Y N 2.359 122.659 120.300 -0.000 0.000 2.359 342 Y HA -0.114 nan 4.550 nan 0.000 0.334 342 Y C -0.972 174.920 175.900 -0.014 0.000 1.058 342 Y CA 0.360 58.453 58.100 -0.013 0.000 1.244 342 Y CB 0.915 39.362 38.460 -0.021 0.000 1.187 342 Y HN -0.256 8.412 8.280 0.226 -0.252 0.510 343 T N 10.437 124.673 114.554 -0.531 0.000 2.891 343 T HA 0.244 nan 4.350 nan 0.000 0.315 343 T C -0.924 173.291 174.700 -0.808 0.000 1.054 343 T CA -1.307 60.513 62.100 -0.468 0.000 0.958 343 T CB -0.578 68.135 68.868 -0.258 0.000 1.008 343 T HN 0.245 8.221 8.240 -0.441 0.000 0.521 344 S N 6.225 121.540 115.700 -0.643 0.000 2.737 344 S HA -0.175 nan 4.470 nan 0.000 0.315 344 S C 0.107 174.533 174.600 -0.291 0.000 1.236 344 S CA 1.076 58.994 58.200 -0.469 0.000 1.093 344 S CB 0.015 63.113 63.200 -0.169 0.000 0.832 344 S HN 0.344 8.408 8.310 -0.410 0.000 0.507 345 S N 5.995 121.558 115.700 -0.227 0.000 2.562 345 S HA -0.022 nan 4.470 nan 0.000 0.221 345 S C 0.586 175.159 174.600 -0.044 0.000 0.975 345 S CA -0.025 58.111 58.200 -0.107 0.000 0.918 345 S CB 0.087 63.257 63.200 -0.050 0.000 0.772 345 S HN 0.248 8.568 8.310 -0.214 -0.139 0.531 346 G N 1.950 110.734 108.800 -0.027 0.000 2.645 346 G HA2 -0.388 nan 3.960 nan 0.000 0.246 346 G HA3 -0.388 nan 3.960 nan 0.000 0.246 346 G C -2.404 172.504 174.900 0.013 0.000 1.322 346 G CA -0.192 44.908 45.100 0.000 0.000 0.898 346 G HN -0.476 7.744 8.290 -0.034 0.049 0.573 347 Q N -0.927 118.882 119.800 0.015 0.000 2.472 347 Q HA 0.160 nan 4.340 nan 0.000 0.281 347 Q C -1.995 174.013 176.000 0.013 0.000 0.997 347 Q CA -1.162 54.652 55.803 0.017 0.000 0.828 347 Q CB 1.909 30.661 28.738 0.023 0.000 1.443 347 Q HN -0.246 8.032 8.270 0.013 0.000 0.390 348 A N 2.172 125.000 122.820 0.012 0.000 2.532 348 A HA 0.307 nan 4.320 nan 0.000 0.296 348 A C -1.103 176.488 177.584 0.011 0.000 1.058 348 A CA -0.172 51.871 52.037 0.010 0.000 0.729 348 A CB 1.076 20.080 19.000 0.008 0.000 1.285 348 A HN 0.662 8.821 8.150 0.014 0.000 0.396 349 G N 1.296 110.102 108.800 0.010 0.000 2.527 349 G HA2 -0.194 nan 3.960 nan 0.000 0.268 349 G HA3 -0.194 nan 3.960 nan 0.000 0.268 349 G C -1.545 173.362 174.900 0.012 0.000 1.175 349 G CA -0.263 44.844 45.100 0.011 0.000 0.962 349 G HN 0.178 8.473 8.290 0.009 0.000 0.560 350 A N -0.504 122.325 122.820 0.014 0.000 2.532 350 A HA 0.431 nan 4.320 nan 0.000 0.290 350 A C -1.142 176.454 177.584 0.020 0.000 1.143 350 A CA -0.301 51.746 52.037 0.016 0.000 0.728 350 A CB 1.583 20.592 19.000 0.014 0.000 1.317 350 A HN 0.335 8.494 8.150 0.015 0.000 0.414 351 A N -1.733 121.100 122.820 0.022 0.000 1.808 351 A HA 0.291 nan 4.320 nan 0.000 0.190 351 A C -1.758 175.845 177.584 0.031 0.000 1.822 351 A CA 0.451 52.505 52.037 0.028 0.000 1.090 351 A CB 1.324 20.341 19.000 0.029 0.000 1.004 351 A HN 0.295 8.457 8.150 0.019 0.000 0.602 352 A N -4.115 118.721 122.820 0.027 0.000 2.608 352 A HA 0.451 nan 4.320 nan 0.000 0.292 352 A C -1.453 176.142 177.584 0.017 0.000 1.066 352 A CA 0.059 52.113 52.037 0.028 0.000 0.676 352 A CB 1.236 20.261 19.000 0.041 0.000 1.277 352 A HN -0.347 7.816 8.150 0.022 0.000 0.413 353 S N -0.443 115.266 115.700 0.014 0.000 2.724 353 S HA 0.240 nan 4.470 nan 0.000 0.278 353 S C -1.437 173.164 174.600 0.001 0.000 1.190 353 S CA -0.594 57.608 58.200 0.003 0.000 0.860 353 S CB 1.317 64.516 63.200 -0.001 0.000 1.206 353 S HN 0.076 8.398 8.310 0.019 0.000 0.507 354 E N 0.937 121.133 120.200 -0.008 0.000 2.288 354 E HA 0.363 nan 4.350 nan 0.000 0.268 354 E C -1.400 175.190 176.600 -0.016 0.000 0.885 354 E CA -0.383 56.010 56.400 -0.012 0.000 0.767 354 E CB 1.548 31.237 29.700 -0.018 0.000 1.220 354 E HN 0.230 8.582 8.360 -0.013 0.000 0.427 355 S N -0.770 114.918 115.700 -0.019 0.000 3.960 355 S HA -0.309 nan 4.470 nan 0.000 0.671 355 S C -1.543 173.057 174.600 -0.000 0.000 1.405 355 S CA 0.389 58.576 58.200 -0.022 0.000 1.519 355 S CB 0.141 63.320 63.200 -0.036 0.000 0.362 355 S HN 0.172 8.470 8.310 -0.020 0.000 1.244 356 L N 0.811 122.044 121.223 0.016 0.000 2.526 356 L HA 0.316 nan 4.340 nan 0.000 0.263 356 L C -2.206 174.763 176.870 0.164 0.000 0.943 356 L CA 0.675 55.545 54.840 0.049 0.000 0.859 356 L CB 1.547 43.606 42.059 -0.000 0.000 1.313 356 L HN 0.071 8.300 8.230 -0.001 0.000 0.406 357 F N 7.076 127.001 119.950 -0.041 0.000 2.149 357 F HA 0.208 nan 4.527 nan 0.000 0.332 357 F C -0.287 175.505 175.800 -0.015 0.000 0.892 357 F CA 0.363 58.347 58.000 -0.026 0.000 1.098 357 F CB 0.668 39.656 39.000 -0.020 0.000 1.247 357 F HN 0.325 8.723 8.300 0.164 0.000 0.627 358 I N -1.358 119.217 120.570 0.009 0.000 2.934 358 I HA 0.376 nan 4.170 nan 0.000 0.312 358 I C -1.279 174.811 176.117 -0.045 0.000 1.342 358 I CA 0.107 61.347 61.300 -0.099 0.000 0.946 358 I CB -0.738 37.183 38.000 -0.131 0.000 2.034 358 I HN -0.311 7.963 8.210 0.106 0.000 0.604 359 S N 2.184 117.863 115.700 -0.036 0.000 2.547 359 S HA 0.021 nan 4.470 nan 0.000 0.270 359 S C -1.109 173.443 174.600 -0.079 0.000 1.150 359 S CA -0.837 57.336 58.200 -0.046 0.000 0.850 359 S CB 2.061 65.235 63.200 -0.042 0.000 1.118 359 S HN -0.352 7.939 8.310 -0.031 0.000 0.461 360 N N 2.490 121.145 118.700 -0.075 0.000 2.717 360 N HA -0.246 nan 4.740 nan 0.000 0.298 360 N C 1.078 176.497 175.510 -0.150 0.000 1.128 360 N CA 0.717 53.702 53.050 -0.108 0.000 0.778 360 N CB -1.051 37.329 38.487 -0.178 0.000 0.972 360 N HN 0.373 8.723 8.380 -0.051 0.000 0.573 361 H N 2.615 121.612 119.070 -0.123 0.000 2.299 361 H HA -0.072 nan 4.556 nan 0.000 0.302 361 H C 0.063 175.354 175.328 -0.061 0.000 1.078 361 H CA 2.120 58.108 56.048 -0.101 0.000 1.323 361 H CB 0.608 30.333 29.762 -0.063 0.000 1.381 361 H HN 0.311 8.643 8.280 0.087 0.000 0.498 362 A N -1.639 121.236 122.820 0.091 0.000 2.833 362 A HA 0.094 nan 4.320 nan 0.000 0.293 362 A C -1.503 176.191 177.584 0.185 0.000 1.338 362 A CA -0.340 51.771 52.037 0.124 0.000 0.959 362 A CB -1.225 17.851 19.000 0.127 0.000 1.094 362 A HN 0.130 8.353 8.150 0.122 0.000 0.569 363 Y N 0.000 120.294 120.300 -0.009 0.000 2.660 363 Y HA 0.000 nan 4.550 nan 0.000 0.201 363 Y CA 0.000 58.094 58.100 -0.010 0.000 1.940 363 Y CB 0.000 38.448 38.460 -0.020 0.000 1.050 363 Y HN 0.000 8.008 8.280 -0.151 0.181 0.758