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 1n2c_1_D DATA FIRST_RESID 2 DATA SEQUENCE SQQVDKIKAS YPLFLDQDYK DMLAKKRDGF EEKYPQDKID EVFQWTTTKE DATA SEQUENCE YQELNFQREA LTVNPAKACQ PLGAVLCALG FEKTMPYVHG SQGCVAYFRS DATA SEQUENCE YFNRHFREPV SCVSDSMTED AAVFGGQQNM KDGLQNCKAT YKPDMIAVST DATA SEQUENCE TCMAEVIGDD LNAFINNSKK EGFIPDEFPV PFAHTPSFVG SHVTGWDNMF DATA SEQUENCE EGIARYFTLK SMDDKVVGSN KKINIVPGFE TYLGNFRVIK RMLSEMGVGY DATA SEQUENCE SLLSDPEEVL DTPADGQFRM YAGGTTQEEM KDAPNALNTV LLQPWHLEKT DATA SEQUENCE KKFVEGTWKH EVPKLNIPMG LDWTDEFLMK VSEISGQPIP ASLTKERGRL DATA SEQUENCE VDMMTDSHTW LHGKRFALWG DPDFVMGLVK FLLELGCEPV HILCHNGNKR DATA SEQUENCE WKKAVDAILA ASPYGKNATV YIGKDLWHLR SLVFTDKPDF MIGNSYGKFI DATA SEQUENCE QRDTLHKGKE FEVPLIRIGF PIFDRHHLHR STTLGYEGAM QILTTLVNSI DATA SEQUENCE LERLDEETRG MQATDYNHDL VR 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.625 174.600 0.042 0.000 1.055 2 S CA 0.000 58.226 58.200 0.043 0.000 1.107 2 S CB 0.000 63.213 63.200 0.021 0.000 0.593 3 Q N 0.956 120.766 119.800 0.017 0.000 2.353 3 Q HA 0.368 4.709 4.340 0.001 0.000 0.275 3 Q C -1.790 174.208 176.000 -0.004 0.000 1.029 3 Q CA -0.678 55.125 55.803 -0.000 0.000 0.848 3 Q CB 2.131 30.867 28.738 -0.003 0.000 1.390 3 Q HN 0.549 nan 8.270 nan 0.000 0.401 4 Q N 2.198 121.991 119.800 -0.011 0.000 2.465 4 Q HA 0.132 4.473 4.340 0.001 0.000 0.237 4 Q C 1.061 177.055 176.000 -0.010 0.000 1.051 4 Q CA -0.183 55.615 55.803 -0.009 0.000 0.874 4 Q CB 1.216 29.948 28.738 -0.011 0.000 1.207 4 Q HN 0.619 nan 8.270 nan 0.000 0.508 5 V N 3.134 123.045 119.914 -0.006 0.000 2.280 5 V HA -0.391 3.729 4.120 0.001 0.000 0.258 5 V C 1.604 177.695 176.094 -0.005 0.000 1.081 5 V CA 3.046 65.343 62.300 -0.005 0.000 1.070 5 V CB -0.054 31.768 31.823 -0.002 0.000 0.666 5 V HN 0.837 nan 8.190 nan 0.000 0.450 6 D N -0.383 120.014 120.400 -0.005 0.000 2.178 6 D HA -0.174 4.467 4.640 0.001 0.000 0.201 6 D C 1.050 177.346 176.300 -0.007 0.000 0.980 6 D CA 1.300 55.297 54.000 -0.005 0.000 0.842 6 D CB -0.231 40.567 40.800 -0.004 0.000 0.948 6 D HN 0.583 nan 8.370 nan 0.000 0.472 7 K N 0.509 120.903 120.400 -0.011 0.000 2.920 7 K HA 0.365 4.686 4.320 0.001 0.000 0.175 7 K C -0.568 176.018 176.600 -0.023 0.000 1.099 7 K CA -0.367 55.911 56.287 -0.015 0.000 0.939 7 K CB 1.523 34.014 32.500 -0.016 0.000 1.148 7 K HN 0.025 nan 8.250 nan 0.000 0.613 8 I N 2.157 122.714 120.570 -0.022 0.000 2.683 8 I HA -0.044 4.127 4.170 0.001 0.000 0.286 8 I C 0.197 176.285 176.117 -0.048 0.000 1.175 8 I CA 0.335 61.615 61.300 -0.032 0.000 1.429 8 I CB 0.349 38.335 38.000 -0.024 0.000 1.371 8 I HN 0.198 nan 8.210 nan 0.000 0.569 9 K N 5.908 126.262 120.400 -0.076 0.000 2.240 9 K HA 0.618 4.939 4.320 0.001 0.000 0.271 9 K C -0.208 176.304 176.600 -0.147 0.000 1.018 9 K CA -0.514 55.705 56.287 -0.113 0.000 0.874 9 K CB 1.768 34.178 32.500 -0.151 0.000 1.098 9 K HN 0.700 nan 8.250 nan 0.000 0.458 10 A N 1.574 124.326 122.820 -0.114 0.000 2.249 10 A HA 0.198 4.519 4.320 0.001 0.000 0.281 10 A C 1.389 178.853 177.584 -0.199 0.000 1.127 10 A CA -0.021 51.949 52.037 -0.112 0.000 0.833 10 A CB 0.139 19.125 19.000 -0.024 0.000 1.140 10 A HN 0.852 nan 8.150 nan 0.000 0.502 11 S N -0.760 114.842 115.700 -0.164 0.000 2.429 11 S HA -0.380 4.091 4.470 0.001 0.000 0.251 11 S C 1.701 176.256 174.600 -0.075 0.000 1.104 11 S CA 2.429 60.528 58.200 -0.168 0.000 1.130 11 S CB -1.156 62.174 63.200 0.217 0.000 1.000 11 S HN 0.995 nan 8.310 nan 0.000 0.449 12 Y N 4.397 124.659 120.300 -0.063 0.000 2.034 12 Y HA -0.006 4.545 4.550 0.001 0.000 0.269 12 Y C -0.858 174.998 175.900 -0.073 0.000 1.125 12 Y CA 1.141 59.228 58.100 -0.022 0.000 1.097 12 Y CB -1.735 36.722 38.460 -0.005 0.000 0.978 12 Y HN 0.208 nan 8.280 nan 0.000 0.480 13 P HA -0.135 nan 4.420 nan 0.000 0.220 13 P C 1.836 178.906 177.300 -0.384 0.000 1.148 13 P CA 1.250 64.005 63.100 -0.575 0.000 0.803 13 P CB -0.145 31.322 31.700 -0.389 0.000 0.782 14 L N -0.690 120.269 121.223 -0.440 0.000 1.955 14 L HA -0.128 4.213 4.340 0.001 0.000 0.213 14 L C 1.727 178.187 176.870 -0.683 0.000 1.072 14 L CA 2.008 56.485 54.840 -0.606 0.000 0.755 14 L CB -1.564 39.943 42.059 -0.919 0.000 0.888 14 L HN -0.137 nan 8.230 nan 0.000 0.432 15 F N -0.572 119.121 119.950 -0.428 0.000 2.773 15 F HA -0.007 4.521 4.527 0.001 0.000 0.299 15 F C 1.852 177.574 175.800 -0.129 0.000 1.204 15 F CA 0.378 58.130 58.000 -0.413 0.000 1.454 15 F CB -0.927 37.907 39.000 -0.277 0.000 1.117 15 F HN 0.089 nan 8.300 nan 0.000 0.590 16 L N -1.157 120.051 121.223 -0.026 0.000 2.585 16 L HA 0.099 4.440 4.340 0.001 0.000 0.226 16 L C 0.289 177.182 176.870 0.037 0.000 1.113 16 L CA -0.079 54.764 54.840 0.005 0.000 0.876 16 L CB -0.237 41.769 42.059 -0.089 0.000 1.072 16 L HN -0.149 nan 8.230 nan 0.000 0.468 17 D N 0.330 120.769 120.400 0.065 0.000 2.414 17 D HA -0.048 4.593 4.640 0.001 0.000 0.242 17 D C 0.946 177.339 176.300 0.154 0.000 1.129 17 D CA 0.171 54.238 54.000 0.112 0.000 0.885 17 D CB 1.280 42.187 40.800 0.179 0.000 1.198 17 D HN -0.085 nan 8.370 nan 0.000 0.437 18 Q N 1.960 121.816 119.800 0.093 0.000 2.062 18 Q HA -0.230 4.111 4.340 0.001 0.000 0.209 18 Q C 1.295 177.344 176.000 0.082 0.000 0.996 18 Q CA 2.161 58.010 55.803 0.077 0.000 0.859 18 Q CB -0.169 28.596 28.738 0.044 0.000 0.920 18 Q HN 0.631 nan 8.270 nan 0.000 0.415 19 D N -1.425 119.011 120.400 0.060 0.000 2.149 19 D HA -0.223 4.418 4.640 0.001 0.000 0.198 19 D C 1.597 177.893 176.300 -0.006 0.000 0.990 19 D CA 1.417 55.414 54.000 -0.006 0.000 0.839 19 D CB -0.831 39.924 40.800 -0.075 0.000 0.948 19 D HN 0.409 nan 8.370 nan 0.000 0.460 20 Y N 1.125 121.468 120.300 0.072 0.000 2.153 20 Y HA -0.006 4.545 4.550 0.001 0.000 0.289 20 Y C 2.693 178.648 175.900 0.092 0.000 1.127 20 Y CA 1.085 59.254 58.100 0.116 0.000 1.131 20 Y CB -0.176 38.403 38.460 0.198 0.000 0.995 20 Y HN -0.149 nan 8.280 nan 0.000 0.505 21 K N 0.124 120.672 120.400 0.247 0.000 2.020 21 K HA -0.238 4.083 4.320 0.001 0.000 0.212 21 K C 1.632 178.295 176.600 0.104 0.000 1.050 21 K CA 1.997 58.374 56.287 0.150 0.000 0.929 21 K CB -0.436 32.130 32.500 0.110 0.000 0.714 21 K HN 0.305 nan 8.250 nan 0.000 0.443 22 D N 0.584 121.032 120.400 0.081 0.000 2.133 22 D HA -0.217 4.424 4.640 0.001 0.000 0.195 22 D C 1.766 178.096 176.300 0.050 0.000 0.997 22 D CA 1.126 55.156 54.000 0.050 0.000 0.840 22 D CB -0.169 40.651 40.800 0.032 0.000 0.947 22 D HN 0.250 nan 8.370 nan 0.000 0.452 23 M N 0.126 119.760 119.600 0.057 0.000 2.086 23 M HA -0.168 4.313 4.480 0.001 0.000 0.261 23 M C 2.028 178.374 176.300 0.076 0.000 1.067 23 M CA 1.335 56.668 55.300 0.055 0.000 1.116 23 M CB -0.045 32.578 32.600 0.038 0.000 1.348 23 M HN -0.025 nan 8.290 nan 0.000 0.407 24 L N 0.204 121.480 121.223 0.088 0.000 2.046 24 L HA -0.157 4.183 4.340 0.001 0.000 0.208 24 L C 2.836 179.740 176.870 0.056 0.000 1.077 24 L CA 1.160 56.043 54.840 0.072 0.000 0.747 24 L CB -1.195 40.905 42.059 0.069 0.000 0.896 24 L HN 0.427 nan 8.230 nan 0.000 0.432 25 A N 0.516 123.366 122.820 0.050 0.000 1.883 25 A HA -0.244 4.077 4.320 0.001 0.000 0.217 25 A C 2.350 179.943 177.584 0.015 0.000 1.186 25 A CA 1.944 53.998 52.037 0.030 0.000 0.624 25 A CB -0.405 18.611 19.000 0.027 0.000 0.822 25 A HN 0.342 nan 8.150 nan 0.000 0.444 26 K N -0.404 120.011 120.400 0.025 0.000 2.057 26 K HA -0.159 4.162 4.320 0.001 0.000 0.207 26 K C 2.223 178.838 176.600 0.024 0.000 1.049 26 K CA 1.568 57.860 56.287 0.010 0.000 0.931 26 K CB -0.159 32.364 32.500 0.038 0.000 0.714 26 K HN 0.561 nan 8.250 nan 0.000 0.440 27 K N 1.641 122.108 120.400 0.113 0.000 2.009 27 K HA -0.213 4.107 4.320 0.001 0.000 0.210 27 K C 2.315 178.994 176.600 0.131 0.000 1.049 27 K CA 1.399 57.822 56.287 0.227 0.000 0.929 27 K CB -0.069 32.532 32.500 0.168 0.000 0.714 27 K HN -0.003 nan 8.250 nan 0.000 0.440 28 R N 0.616 121.148 120.500 0.054 0.000 2.088 28 R HA -0.174 4.167 4.340 0.001 0.000 0.232 28 R C 1.542 177.814 176.300 -0.047 0.000 1.136 28 R CA 2.357 58.466 56.100 0.015 0.000 0.926 28 R CB -0.450 29.857 30.300 0.012 0.000 0.837 28 R HN 0.306 nan 8.270 nan 0.000 0.429 29 D N -0.963 119.391 120.400 -0.076 0.000 2.263 29 D HA -0.085 4.555 4.640 0.001 0.000 0.208 29 D C 1.600 177.752 176.300 -0.247 0.000 0.971 29 D CA 1.430 55.356 54.000 -0.124 0.000 0.867 29 D CB -0.150 40.591 40.800 -0.098 0.000 0.929 29 D HN 0.587 nan 8.370 nan 0.000 0.492 30 G N -0.859 107.696 108.800 -0.407 0.000 2.510 30 G HA2 -0.017 3.944 3.960 0.001 0.000 0.212 30 G HA3 -0.017 3.944 3.960 0.001 0.000 0.212 30 G C 0.861 175.018 174.900 -1.238 0.000 1.151 30 G CA 0.023 44.540 45.100 -0.972 0.000 0.817 30 G HN 0.249 nan 8.290 nan 0.000 0.534 31 F N -0.581 119.356 119.950 -0.021 0.000 2.915 31 F HA 0.395 4.923 4.527 0.001 0.000 0.347 31 F C 1.835 177.618 175.800 -0.028 0.000 1.104 31 F CA -0.483 57.503 58.000 -0.023 0.000 1.126 31 F CB 0.564 39.552 39.000 -0.019 0.000 1.145 31 F HN 0.031 nan 8.300 nan 0.000 0.541 32 E N 1.076 121.329 120.200 0.088 0.000 2.170 32 E HA -0.045 4.305 4.350 0.001 0.000 0.191 32 E C 0.244 176.838 176.600 -0.010 0.000 0.981 32 E CA 0.605 57.034 56.400 0.048 0.000 0.830 32 E CB -0.044 29.680 29.700 0.040 0.000 0.775 32 E HN 0.319 nan 8.360 nan 0.000 0.470 33 E N 0.976 121.146 120.200 -0.050 0.000 2.539 33 E HA -0.244 4.106 4.350 0.001 0.000 0.253 33 E C -0.335 176.182 176.600 -0.138 0.000 1.145 33 E CA 0.570 56.911 56.400 -0.100 0.000 0.738 33 E CB -1.573 28.065 29.700 -0.102 0.000 1.308 33 E HN 0.299 nan 8.360 nan 0.000 0.409 34 K N -0.210 120.143 120.400 -0.077 0.000 2.319 34 K HA 0.173 4.494 4.320 0.001 0.000 0.265 34 K C -0.239 176.321 176.600 -0.066 0.000 1.000 34 K CA -0.304 55.956 56.287 -0.044 0.000 0.943 34 K CB 0.424 32.943 32.500 0.030 0.000 0.950 34 K HN -0.039 nan 8.250 nan 0.000 0.485 35 Y N 1.606 121.909 120.300 0.005 0.000 2.683 35 Y HA 0.035 4.585 4.550 0.001 0.000 0.340 35 Y C -1.718 174.186 175.900 0.007 0.000 1.245 35 Y CA -1.294 56.810 58.100 0.006 0.000 1.485 35 Y CB -0.107 38.361 38.460 0.014 0.000 1.328 35 Y HN 0.581 nan 8.280 nan 0.000 0.603 36 P HA -0.075 nan 4.420 nan 0.000 0.266 36 P C 0.415 177.773 177.300 0.097 0.000 1.195 36 P CA -0.032 63.122 63.100 0.090 0.000 0.768 36 P CB 0.689 32.433 31.700 0.073 0.000 0.838 37 Q N 1.772 121.613 119.800 0.068 0.000 2.217 37 Q HA -0.217 4.124 4.340 0.001 0.000 0.209 37 Q C 1.080 177.120 176.000 0.066 0.000 0.988 37 Q CA 1.828 57.670 55.803 0.064 0.000 0.878 37 Q CB -0.395 28.373 28.738 0.049 0.000 0.909 37 Q HN 0.502 nan 8.270 nan 0.000 0.424 38 D N -0.184 120.250 120.400 0.057 0.000 2.084 38 D HA -0.146 4.495 4.640 0.001 0.000 0.194 38 D C 1.782 178.113 176.300 0.052 0.000 0.990 38 D CA 0.771 54.800 54.000 0.048 0.000 0.826 38 D CB -0.044 40.779 40.800 0.037 0.000 0.971 38 D HN 0.047 nan 8.370 nan 0.000 0.453 39 K N 0.907 121.343 120.400 0.061 0.000 2.063 39 K HA -0.089 4.232 4.320 0.001 0.000 0.208 39 K C 2.353 178.975 176.600 0.037 0.000 1.048 39 K CA 0.504 56.816 56.287 0.042 0.000 0.928 39 K CB -0.648 31.899 32.500 0.080 0.000 0.713 39 K HN 0.260 nan 8.250 nan 0.000 0.442 40 I N 1.185 121.797 120.570 0.070 0.000 2.127 40 I HA -0.318 3.853 4.170 0.001 0.000 0.241 40 I C 1.816 178.009 176.117 0.128 0.000 1.075 40 I CA 1.503 62.854 61.300 0.084 0.000 1.334 40 I CB -0.423 37.630 38.000 0.088 0.000 1.040 40 I HN 0.111 nan 8.210 nan 0.000 0.405 41 D N 0.468 120.939 120.400 0.118 0.000 2.149 41 D HA -0.233 4.407 4.640 0.001 0.000 0.198 41 D C 1.969 178.358 176.300 0.148 0.000 0.990 41 D CA 1.289 55.376 54.000 0.145 0.000 0.839 41 D CB -0.250 40.603 40.800 0.087 0.000 0.948 41 D HN 0.455 nan 8.370 nan 0.000 0.460 42 E N 0.493 120.744 120.200 0.086 0.000 2.007 42 E HA -0.147 4.203 4.350 0.001 0.000 0.194 42 E C 2.119 178.767 176.600 0.081 0.000 0.999 42 E CA 1.068 57.499 56.400 0.051 0.000 0.811 42 E CB 0.059 29.763 29.700 0.006 0.000 0.762 42 E HN -0.014 nan 8.360 nan 0.000 0.450 43 V N 1.190 121.156 119.914 0.087 0.000 2.453 43 V HA -0.250 3.871 4.120 0.001 0.000 0.252 43 V C 2.149 178.361 176.094 0.196 0.000 1.068 43 V CA 1.949 64.349 62.300 0.166 0.000 1.070 43 V CB -0.774 31.115 31.823 0.111 0.000 0.664 43 V HN 0.353 nan 8.190 nan 0.000 0.461 44 F N 1.298 121.257 119.950 0.016 0.000 2.051 44 F HA -0.170 4.358 4.527 0.001 0.000 0.296 44 F C 2.594 178.278 175.800 -0.193 0.000 1.122 44 F CA 1.823 59.785 58.000 -0.064 0.000 1.201 44 F CB -0.489 38.516 39.000 0.009 0.000 0.978 44 F HN 0.087 nan 8.300 nan 0.000 0.472 45 Q N -0.559 119.074 119.800 -0.279 0.000 2.197 45 Q HA -0.276 4.065 4.340 0.001 0.000 0.207 45 Q C 2.019 177.792 176.000 -0.379 0.000 0.984 45 Q CA 1.873 57.415 55.803 -0.435 0.000 0.869 45 Q CB -1.367 27.267 28.738 -0.173 0.000 0.906 45 Q HN 0.733 nan 8.270 nan 0.000 0.426 46 W N 2.179 123.254 121.300 -0.376 0.000 2.355 46 W HA -0.179 4.482 4.660 0.001 0.000 0.309 46 W C 2.133 178.368 176.519 -0.473 0.000 1.206 46 W CA 2.640 59.806 57.345 -0.299 0.000 1.284 46 W CB -0.692 28.672 29.460 -0.160 0.000 1.145 46 W HN 0.242 nan 8.180 nan 0.000 0.502 47 T N -2.380 111.628 114.554 -0.910 0.000 3.077 47 T HA -0.166 4.185 4.350 0.001 0.000 0.269 47 T C 1.444 175.419 174.700 -1.208 0.000 1.146 47 T CA 1.740 62.833 62.100 -1.678 0.000 1.091 47 T CB -0.996 67.099 68.868 -1.288 0.000 0.892 47 T HN 0.306 nan 8.240 nan 0.000 0.533 48 T N -0.766 113.152 114.554 -1.060 0.000 3.040 48 T HA 0.166 4.516 4.350 0.001 0.000 0.250 48 T C 0.985 175.385 174.700 -0.500 0.000 1.058 48 T CA 0.192 61.676 62.100 -1.026 0.000 0.988 48 T CB -0.351 67.615 68.868 -1.503 0.000 0.993 48 T HN 0.601 nan 8.240 nan 0.000 0.519 49 T N -0.000 114.312 114.554 -0.403 0.000 2.828 49 T HA 0.382 4.733 4.350 0.001 0.000 0.290 49 T C 1.021 175.635 174.700 -0.143 0.000 1.019 49 T CA -0.774 61.198 62.100 -0.214 0.000 1.031 49 T CB 1.380 70.170 68.868 -0.131 0.000 1.001 49 T HN 0.120 nan 8.240 nan 0.000 0.531 50 K N 0.553 120.896 120.400 -0.094 0.000 2.148 50 K HA -0.108 4.213 4.320 0.001 0.000 0.204 50 K C 2.221 178.775 176.600 -0.076 0.000 1.050 50 K CA 1.445 57.680 56.287 -0.087 0.000 0.942 50 K CB -0.126 32.333 32.500 -0.068 0.000 0.724 50 K HN 0.646 nan 8.250 nan 0.000 0.446 51 E N 0.299 120.476 120.200 -0.040 0.000 2.058 51 E HA -0.223 4.128 4.350 0.001 0.000 0.194 51 E C 1.752 178.322 176.600 -0.050 0.000 0.997 51 E CA 1.383 57.788 56.400 0.008 0.000 0.801 51 E CB -0.355 29.414 29.700 0.115 0.000 0.746 51 E HN 0.332 nan 8.360 nan 0.000 0.450 52 Y N 1.422 121.518 120.300 -0.340 0.000 2.114 52 Y HA -0.278 4.273 4.550 0.001 0.000 0.284 52 Y C 2.536 178.264 175.900 -0.288 0.000 1.143 52 Y CA 2.232 59.980 58.100 -0.586 0.000 1.135 52 Y CB -0.301 37.541 38.460 -1.030 0.000 0.980 52 Y HN 0.048 nan 8.280 nan 0.000 0.499 53 Q N 0.351 120.095 119.800 -0.093 0.000 2.133 53 Q HA -0.304 4.037 4.340 0.001 0.000 0.208 53 Q C 2.001 177.974 176.000 -0.046 0.000 0.991 53 Q CA 2.413 58.189 55.803 -0.045 0.000 0.867 53 Q CB -0.234 28.445 28.738 -0.097 0.000 0.911 53 Q HN 0.687 nan 8.270 nan 0.000 0.417 54 E N 0.135 120.271 120.200 -0.107 0.000 2.031 54 E HA -0.189 4.162 4.350 0.001 0.000 0.193 54 E C 2.216 178.808 176.600 -0.013 0.000 0.994 54 E CA 1.410 57.771 56.400 -0.066 0.000 0.800 54 E CB -0.167 29.497 29.700 -0.060 0.000 0.752 54 E HN 0.426 nan 8.360 nan 0.000 0.447 55 L N 1.313 122.482 121.223 -0.089 0.000 2.079 55 L HA -0.206 4.135 4.340 0.001 0.000 0.210 55 L C 2.463 179.274 176.870 -0.098 0.000 1.081 55 L CA 0.862 55.647 54.840 -0.091 0.000 0.752 55 L CB -0.697 41.282 42.059 -0.133 0.000 0.896 55 L HN 0.195 nan 8.230 nan 0.000 0.433 56 N N 0.818 119.407 118.700 -0.184 0.000 2.120 56 N HA -0.216 4.525 4.740 0.001 0.000 0.188 56 N C 1.633 177.282 175.510 0.231 0.000 1.024 56 N CA 1.705 54.727 53.050 -0.046 0.000 0.852 56 N CB -0.208 38.246 38.487 -0.055 0.000 1.003 56 N HN 0.155 nan 8.380 nan 0.000 0.424 57 F N 1.033 120.981 119.950 -0.003 0.000 2.661 57 F HA 0.164 4.692 4.527 0.001 0.000 0.298 57 F C 2.154 177.929 175.800 -0.041 0.000 1.137 57 F CA 0.461 58.406 58.000 -0.093 0.000 1.454 57 F CB -0.139 38.755 39.000 -0.178 0.000 1.103 57 F HN 0.157 nan 8.300 nan 0.000 0.577 58 Q N -0.187 119.693 119.800 0.134 0.000 2.482 58 Q HA 0.005 4.346 4.340 0.001 0.000 0.209 58 Q C 0.491 176.526 176.000 0.058 0.000 0.961 58 Q CA 0.062 55.910 55.803 0.075 0.000 0.945 58 Q CB 0.040 28.807 28.738 0.048 0.000 1.012 58 Q HN 0.249 nan 8.270 nan 0.000 0.515 59 R N 0.870 121.415 120.500 0.076 0.000 2.538 59 R HA -0.057 4.284 4.340 0.001 0.000 0.282 59 R C 0.425 176.752 176.300 0.046 0.000 1.009 59 R CA 0.669 56.803 56.100 0.056 0.000 1.063 59 R CB 0.335 30.675 30.300 0.067 0.000 0.945 59 R HN 0.279 nan 8.270 nan 0.000 0.414 60 E N 1.004 121.222 120.200 0.029 0.000 2.572 60 E HA 0.099 4.450 4.350 0.001 0.000 0.220 60 E C 0.486 177.100 176.600 0.023 0.000 0.945 60 E CA 0.216 56.633 56.400 0.028 0.000 1.070 60 E CB 1.207 30.922 29.700 0.025 0.000 1.090 60 E HN 0.696 nan 8.360 nan 0.000 0.506 61 A N 0.465 123.292 122.820 0.013 0.000 1.935 61 A HA 0.229 4.550 4.320 0.001 0.000 0.202 61 A C 0.369 177.949 177.584 -0.007 0.000 1.772 61 A CA -0.346 51.694 52.037 0.006 0.000 1.013 61 A CB -0.024 18.976 19.000 0.000 0.000 1.077 61 A HN 0.132 nan 8.150 nan 0.000 0.565 62 L N 2.391 123.599 121.223 -0.025 0.000 2.499 62 L HA 0.401 4.742 4.340 0.001 0.000 0.273 62 L C -0.747 176.081 176.870 -0.070 0.000 1.195 62 L CA 1.176 55.983 54.840 -0.055 0.000 0.882 62 L CB 0.491 42.504 42.059 -0.077 0.000 1.133 62 L HN 0.256 nan 8.230 nan 0.000 0.483 63 T N 5.049 119.560 114.554 -0.072 0.000 2.792 63 T HA 0.584 4.935 4.350 0.001 0.000 0.280 63 T C -0.782 173.846 174.700 -0.120 0.000 0.990 63 T CA -0.416 61.644 62.100 -0.067 0.000 0.960 63 T CB 1.302 70.183 68.868 0.022 0.000 0.939 63 T HN 0.360 nan 8.240 nan 0.000 0.439 64 V N 4.624 124.435 119.914 -0.171 0.000 2.444 64 V HA 0.409 4.530 4.120 0.001 0.000 0.294 64 V C -0.250 175.771 176.094 -0.120 0.000 1.022 64 V CA -1.174 60.997 62.300 -0.214 0.000 0.850 64 V CB 1.253 32.826 31.823 -0.416 0.000 0.992 64 V HN 0.987 nan 8.190 nan 0.000 0.426 65 N N 3.096 121.721 118.700 -0.125 0.000 2.641 65 N HA -0.116 4.625 4.740 0.001 0.000 0.267 65 N C -2.231 173.214 175.510 -0.107 0.000 1.087 65 N CA 0.425 53.406 53.050 -0.114 0.000 0.731 65 N CB -0.969 37.509 38.487 -0.015 0.000 0.886 65 N HN 0.518 nan 8.380 nan 0.000 0.547 66 P HA 0.189 nan 4.420 nan 0.000 0.271 66 P C -0.318 176.948 177.300 -0.057 0.000 1.244 66 P CA -0.185 62.924 63.100 0.016 0.000 0.793 66 P CB 0.726 32.359 31.700 -0.112 0.000 0.984 67 A N 1.173 124.058 122.820 0.108 0.000 3.113 67 A HA 0.420 4.741 4.320 0.001 0.000 0.307 67 A C 0.311 177.966 177.584 0.118 0.000 1.025 67 A CA -0.256 51.870 52.037 0.149 0.000 1.012 67 A CB -0.428 18.739 19.000 0.279 0.000 1.085 67 A HN 0.622 nan 8.150 nan 0.000 0.519 68 K N -1.811 118.574 120.400 -0.025 0.000 2.670 68 K HA 0.852 5.173 4.320 0.001 0.000 0.289 68 K C -0.871 175.700 176.600 -0.048 0.000 1.045 68 K CA -0.484 55.825 56.287 0.037 0.000 0.834 68 K CB 0.874 33.326 32.500 -0.081 0.000 1.531 68 K HN 0.824 nan 8.250 nan 0.000 0.376 69 A N 0.034 122.897 122.820 0.071 0.000 2.594 69 A HA 0.651 4.972 4.320 0.001 0.000 0.291 69 A C -0.524 177.096 177.584 0.059 0.000 1.105 69 A CA -0.584 51.423 52.037 -0.050 0.000 0.694 69 A CB 0.656 19.525 19.000 -0.219 0.000 1.291 69 A HN 1.157 nan 8.150 nan 0.000 0.410 70 C N -0.040 119.266 119.300 0.010 0.000 2.656 70 C HA 0.386 4.846 4.460 0.001 0.000 0.391 70 C C 1.631 176.627 174.990 0.010 0.000 1.300 70 C CA -0.158 58.874 59.018 0.023 0.000 2.302 70 C CB -0.342 27.438 27.740 0.066 0.000 2.655 70 C HN 0.971 nan 8.230 nan 0.000 0.656 71 Q N 2.353 122.142 119.800 -0.019 0.000 2.047 71 Q HA -0.196 4.145 4.340 0.001 0.000 0.211 71 Q C -0.156 175.822 176.000 -0.035 0.000 1.005 71 Q CA 2.739 58.527 55.803 -0.025 0.000 0.866 71 Q CB -1.451 27.260 28.738 -0.046 0.000 0.938 71 Q HN 0.766 nan 8.270 nan 0.000 0.414 72 P HA -0.225 nan 4.420 nan 0.000 0.218 72 P C 1.471 178.480 177.300 -0.485 0.000 1.150 72 P CA 1.190 64.156 63.100 -0.224 0.000 0.841 72 P CB -0.123 31.504 31.700 -0.122 0.000 0.784 73 L N 0.201 121.090 121.223 -0.558 0.000 2.012 73 L HA -0.063 4.278 4.340 0.001 0.000 0.210 73 L C 2.635 179.671 176.870 0.278 0.000 1.073 73 L CA 2.546 57.192 54.840 -0.322 0.000 0.748 73 L CB -1.545 40.443 42.059 -0.118 0.000 0.891 73 L HN -0.028 nan 8.230 nan 0.000 0.431 74 G N -1.412 107.605 108.800 0.362 0.000 2.402 74 G HA2 -0.224 3.737 3.960 0.001 0.000 0.216 74 G HA3 -0.224 3.737 3.960 0.001 0.000 0.216 74 G C 1.624 176.747 174.900 0.371 0.000 1.162 74 G CA 0.731 46.227 45.100 0.661 0.000 0.777 74 G HN 0.625 nan 8.290 nan 0.000 0.539 75 A N 0.265 123.170 122.820 0.142 0.000 1.892 75 A HA -0.014 4.307 4.320 0.001 0.000 0.218 75 A C 2.627 180.220 177.584 0.015 0.000 1.188 75 A CA 2.066 54.112 52.037 0.016 0.000 0.631 75 A CB -0.756 18.244 19.000 0.000 0.000 0.822 75 A HN 0.275 nan 8.150 nan 0.000 0.447 76 V N -0.345 119.617 119.914 0.081 0.000 2.261 76 V HA -0.248 3.873 4.120 0.001 0.000 0.246 76 V C 2.480 178.644 176.094 0.117 0.000 1.047 76 V CA 2.006 64.388 62.300 0.136 0.000 1.015 76 V CB -0.906 31.051 31.823 0.224 0.000 0.642 76 V HN 0.587 nan 8.190 nan 0.000 0.446 77 L N 0.136 121.467 121.223 0.182 0.000 2.043 77 L HA -0.221 4.120 4.340 0.001 0.000 0.212 77 L C 2.479 179.368 176.870 0.031 0.000 1.075 77 L CA 2.401 57.245 54.840 0.005 0.000 0.752 77 L CB -1.013 41.053 42.059 0.011 0.000 0.891 77 L HN 0.524 nan 8.230 nan 0.000 0.432 78 C N -0.742 118.464 119.300 -0.158 0.000 2.429 78 C HA -0.109 4.352 4.460 0.001 0.000 0.277 78 C C 2.993 177.947 174.990 -0.060 0.000 1.262 78 C CA 0.857 59.532 59.018 -0.571 0.000 1.733 78 C CB -1.430 25.570 27.740 -1.232 0.000 2.010 78 C HN 0.692 nan 8.230 nan 0.000 0.483 79 A N 0.466 123.286 122.820 0.002 0.000 1.877 79 A HA -0.063 4.258 4.320 0.001 0.000 0.216 79 A C 2.122 179.815 177.584 0.182 0.000 1.186 79 A CA 1.781 53.893 52.037 0.126 0.000 0.620 79 A CB -0.813 18.230 19.000 0.072 0.000 0.822 79 A HN 0.677 nan 8.150 nan 0.000 0.443 80 L N -0.404 120.857 121.223 0.063 0.000 2.447 80 L HA -0.121 4.220 4.340 0.001 0.000 0.225 80 L C 2.383 179.213 176.870 -0.066 0.000 1.148 80 L CA 0.621 55.461 54.840 0.000 0.000 0.808 80 L CB -0.498 41.503 42.059 -0.097 0.000 0.928 80 L HN 0.504 nan 8.230 nan 0.000 0.448 81 G N -0.777 107.960 108.800 -0.106 0.000 2.920 81 G HA2 0.003 3.964 3.960 0.001 0.000 0.208 81 G HA3 0.003 3.964 3.960 0.001 0.000 0.208 81 G C 0.203 174.780 174.900 -0.539 0.000 1.159 81 G CA -0.202 44.689 45.100 -0.347 0.000 0.784 81 G HN 0.119 nan 8.290 nan 0.000 0.535 82 F N 0.204 120.125 119.950 -0.048 0.000 2.469 82 F HA 0.359 4.887 4.527 0.002 0.000 0.332 82 F C 0.526 176.290 175.800 -0.060 0.000 1.103 82 F CA -1.599 56.365 58.000 -0.060 0.000 0.979 82 F CB 1.412 40.366 39.000 -0.078 0.000 1.137 82 F HN -0.050 nan 8.300 nan 0.000 0.463 83 E N 3.613 123.854 120.200 0.068 0.000 2.765 83 E HA -0.138 4.213 4.350 0.001 0.000 0.256 83 E C 0.192 176.772 176.600 -0.033 0.000 0.935 83 E CA 0.326 56.725 56.400 -0.002 0.000 0.954 83 E CB 0.224 29.901 29.700 -0.039 0.000 0.908 83 E HN 0.655 nan 8.360 nan 0.000 0.500 84 K N 2.081 122.442 120.400 -0.065 0.000 3.003 84 K HA -0.204 4.117 4.320 0.001 0.000 0.257 84 K C -0.780 175.652 176.600 -0.279 0.000 0.958 84 K CA 0.991 57.090 56.287 -0.314 0.000 0.707 84 K CB -1.130 31.122 32.500 -0.413 0.000 1.279 84 K HN 0.472 nan 8.250 nan 0.000 0.479 85 T N 0.769 115.340 114.554 0.028 0.000 2.875 85 T HA 0.445 4.796 4.350 0.001 0.000 0.284 85 T C -0.163 174.704 174.700 0.277 0.000 0.995 85 T CA -0.626 61.537 62.100 0.105 0.000 1.060 85 T CB 1.191 70.137 68.868 0.130 0.000 0.967 85 T HN 0.180 nan 8.240 nan 0.000 0.476 86 M N 5.018 124.785 119.600 0.279 0.000 2.114 86 M HA 0.458 4.939 4.480 0.001 0.000 0.332 86 M C -2.807 173.628 176.300 0.226 0.000 1.014 86 M CA -2.583 52.906 55.300 0.315 0.000 0.956 86 M CB 1.333 34.155 32.600 0.370 0.000 1.551 86 M HN 0.120 nan 8.290 nan 0.000 0.427 87 P HA 0.088 nan 4.420 nan 0.000 0.267 87 P C -2.021 175.418 177.300 0.232 0.000 1.205 87 P CA 0.317 63.526 63.100 0.181 0.000 0.765 87 P CB 0.065 31.862 31.700 0.162 0.000 0.828 88 Y N 4.263 124.622 120.300 0.098 0.000 2.326 88 Y HA 0.422 4.972 4.550 0.001 0.000 0.329 88 Y C -1.275 174.698 175.900 0.122 0.000 0.973 88 Y CA -1.180 56.982 58.100 0.104 0.000 1.162 88 Y CB 1.231 39.748 38.460 0.096 0.000 1.147 88 Y HN 0.033 nan 8.280 nan 0.000 0.456 89 V N 6.837 126.914 119.914 0.272 0.000 2.318 89 V HA 0.127 4.248 4.120 0.001 0.000 0.271 89 V C -0.268 175.989 176.094 0.270 0.000 1.030 89 V CA -0.725 61.757 62.300 0.302 0.000 0.844 89 V CB 0.211 32.218 31.823 0.308 0.000 1.015 89 V HN 0.813 nan 8.190 nan 0.000 0.460 90 H N 4.354 123.624 119.070 0.333 0.000 3.086 90 H HA 0.547 5.104 4.556 0.001 0.000 0.265 90 H C 0.515 175.944 175.328 0.168 0.000 1.092 90 H CA 1.375 57.602 56.048 0.299 0.000 1.487 90 H CB 0.028 29.958 29.762 0.279 0.000 1.514 90 H HN 0.914 nan 8.280 nan 0.000 0.497 91 G N 2.210 110.889 108.800 -0.202 0.000 2.398 91 G HA2 0.003 3.964 3.960 0.001 0.000 0.251 91 G HA3 0.003 3.964 3.960 0.001 0.000 0.251 91 G C -1.101 173.737 174.900 -0.103 0.000 1.277 91 G CA -0.483 44.539 45.100 -0.129 0.000 0.927 91 G HN 0.542 nan 8.290 nan 0.000 0.477 92 S N 0.918 116.588 115.700 -0.050 0.000 2.549 92 S HA 0.250 4.721 4.470 0.001 0.000 0.283 92 S C 1.718 176.256 174.600 -0.103 0.000 1.320 92 S CA 0.544 58.703 58.200 -0.068 0.000 1.058 92 S CB 1.377 64.549 63.200 -0.047 0.000 0.882 92 S HN 0.748 nan 8.310 nan 0.000 0.498 93 Q N 2.911 122.637 119.800 -0.122 0.000 2.226 93 Q HA -0.065 4.276 4.340 0.001 0.000 0.204 93 Q C 1.991 177.865 176.000 -0.211 0.000 0.975 93 Q CA 1.362 57.076 55.803 -0.149 0.000 0.866 93 Q CB -0.645 28.015 28.738 -0.129 0.000 0.915 93 Q HN 0.791 nan 8.270 nan 0.000 0.440 94 G N 1.285 109.948 108.800 -0.227 0.000 2.469 94 G HA2 -0.302 3.659 3.960 0.001 0.000 0.219 94 G HA3 -0.302 3.659 3.960 0.001 0.000 0.219 94 G C 1.426 176.044 174.900 -0.470 0.000 1.150 94 G CA 1.063 45.953 45.100 -0.350 0.000 0.763 94 G HN 0.498 nan 8.290 nan 0.000 0.561 95 C N -0.119 118.944 119.300 -0.394 0.000 2.413 95 C HA -0.048 4.413 4.460 0.001 0.000 0.277 95 C C 3.051 177.333 174.990 -1.179 0.000 1.228 95 C CA 0.798 59.388 59.018 -0.714 0.000 1.731 95 C CB -1.114 26.318 27.740 -0.514 0.000 2.042 95 C HN 0.303 nan 8.230 nan 0.000 0.468 96 V N 1.683 121.214 119.914 -0.638 0.000 2.324 96 V HA -0.287 3.834 4.120 0.001 0.000 0.250 96 V C 2.741 178.722 176.094 -0.189 0.000 1.060 96 V CA 2.371 64.504 62.300 -0.279 0.000 1.042 96 V CB -1.418 30.366 31.823 -0.065 0.000 0.650 96 V HN 0.638 nan 8.190 nan 0.000 0.450 97 A N -1.054 121.622 122.820 -0.239 0.000 1.883 97 A HA -0.248 4.072 4.320 0.001 0.000 0.217 97 A C 2.123 179.672 177.584 -0.059 0.000 1.186 97 A CA 2.091 54.031 52.037 -0.162 0.000 0.624 97 A CB -0.769 18.076 19.000 -0.259 0.000 0.822 97 A HN 0.538 nan 8.150 nan 0.000 0.444 98 Y N -0.860 119.310 120.300 -0.216 0.000 2.145 98 Y HA -0.157 4.394 4.550 0.001 0.000 0.286 98 Y C 2.265 178.185 175.900 0.033 0.000 1.145 98 Y CA 0.736 58.751 58.100 -0.143 0.000 1.148 98 Y CB -1.107 37.204 38.460 -0.249 0.000 0.981 98 Y HN 0.344 nan 8.280 nan 0.000 0.507 99 F N 0.002 120.083 119.950 0.218 0.000 2.046 99 F HA -0.219 4.309 4.527 0.001 0.000 0.297 99 F C 2.398 178.346 175.800 0.246 0.000 1.123 99 F CA 1.217 59.320 58.000 0.172 0.000 1.199 99 F CB -1.430 37.692 39.000 0.203 0.000 0.972 99 F HN -0.053 nan 8.300 nan 0.000 0.474 100 R N 0.666 121.420 120.500 0.424 0.000 2.115 100 R HA -0.209 4.132 4.340 0.001 0.000 0.239 100 R C 2.445 178.927 176.300 0.303 0.000 1.133 100 R CA 2.318 58.626 56.100 0.347 0.000 0.935 100 R CB -1.167 29.253 30.300 0.199 0.000 0.853 100 R HN 0.427 nan 8.270 nan 0.000 0.433 101 S N 0.162 115.991 115.700 0.216 0.000 2.370 101 S HA -0.242 4.229 4.470 0.001 0.000 0.226 101 S C 1.968 176.645 174.600 0.129 0.000 1.033 101 S CA 1.232 59.515 58.200 0.140 0.000 1.011 101 S CB -0.765 62.502 63.200 0.111 0.000 0.852 101 S HN 0.348 nan 8.310 nan 0.000 0.457 102 Y N 1.573 121.907 120.300 0.057 0.000 2.128 102 Y HA -0.097 4.454 4.550 0.002 0.000 0.284 102 Y C 1.953 177.949 175.900 0.159 0.000 1.154 102 Y CA 1.229 59.345 58.100 0.026 0.000 1.149 102 Y CB -0.623 37.846 38.460 0.016 0.000 0.976 102 Y HN 0.243 nan 8.280 nan 0.000 0.505 103 F N -0.266 119.940 119.950 0.428 0.000 2.234 103 F HA -0.093 4.435 4.527 0.001 0.000 0.296 103 F C 2.087 178.049 175.800 0.271 0.000 1.089 103 F CA 1.254 59.503 58.000 0.414 0.000 1.343 103 F CB -1.211 38.099 39.000 0.517 0.000 1.040 103 F HN 0.072 nan 8.300 nan 0.000 0.498 104 N N 0.121 119.031 118.700 0.349 0.000 2.061 104 N HA -0.211 4.530 4.740 0.001 0.000 0.193 104 N C 1.815 177.345 175.510 0.033 0.000 1.030 104 N CA 1.555 54.704 53.050 0.166 0.000 0.856 104 N CB -0.152 38.382 38.487 0.079 0.000 1.023 104 N HN 0.200 nan 8.380 nan 0.000 0.424 105 R N -0.793 119.647 120.500 -0.100 0.000 2.115 105 R HA -0.116 4.225 4.340 0.001 0.000 0.230 105 R C 1.886 178.178 176.300 -0.014 0.000 1.111 105 R CA 1.050 56.989 56.100 -0.268 0.000 0.976 105 R CB -0.241 29.523 30.300 -0.893 0.000 0.870 105 R HN 0.412 nan 8.270 nan 0.000 0.445 106 H N -0.508 118.576 119.070 0.024 0.000 2.415 106 H HA 0.009 4.566 4.556 0.001 0.000 0.297 106 H C 1.010 176.080 175.328 -0.430 0.000 1.048 106 H CA 1.241 57.208 56.048 -0.135 0.000 1.365 106 H CB 0.174 29.772 29.762 -0.273 0.000 1.421 106 H HN 0.047 nan 8.280 nan 0.000 0.533 107 F N 0.040 119.804 119.950 -0.310 0.000 2.656 107 F HA 0.310 4.838 4.527 0.001 0.000 0.291 107 F C 0.732 176.165 175.800 -0.611 0.000 1.122 107 F CA 0.221 57.739 58.000 -0.803 0.000 1.427 107 F CB 0.234 38.988 39.000 -0.410 0.000 1.125 107 F HN -0.072 nan 8.300 nan 0.000 0.583 108 R N 1.452 121.874 120.500 -0.130 0.000 3.267 108 R HA -0.153 4.188 4.340 0.001 0.000 0.254 108 R C -1.026 175.273 176.300 -0.002 0.000 0.993 108 R CA 0.446 56.489 56.100 -0.095 0.000 0.670 108 R CB -2.051 28.143 30.300 -0.177 0.000 1.125 108 R HN 0.253 nan 8.270 nan 0.000 0.434 109 E N -0.928 119.296 120.200 0.040 0.000 2.449 109 E HA 0.432 4.782 4.350 0.001 0.000 0.278 109 E C -2.637 174.005 176.600 0.070 0.000 0.992 109 E CA -2.223 54.210 56.400 0.055 0.000 0.807 109 E CB 1.584 31.303 29.700 0.032 0.000 1.350 109 E HN -0.151 nan 8.360 nan 0.000 0.462 110 P HA 0.214 nan 4.420 nan 0.000 0.274 110 P C -0.771 176.592 177.300 0.104 0.000 1.231 110 P CA -0.347 62.800 63.100 0.078 0.000 0.790 110 P CB 0.594 32.380 31.700 0.143 0.000 0.951 111 V N 1.922 121.904 119.914 0.114 0.000 2.398 111 V HA 0.175 4.295 4.120 0.001 0.000 0.282 111 V C -0.292 175.865 176.094 0.104 0.000 1.014 111 V CA -0.470 61.912 62.300 0.137 0.000 0.838 111 V CB 1.245 33.226 31.823 0.263 0.000 1.018 111 V HN 0.435 nan 8.190 nan 0.000 0.432 112 S N 3.441 119.171 115.700 0.050 0.000 2.474 112 S HA 0.536 5.007 4.470 0.001 0.000 0.276 112 S C -0.232 174.375 174.600 0.012 0.000 1.227 112 S CA -0.326 57.863 58.200 -0.017 0.000 1.050 112 S CB 0.942 64.067 63.200 -0.125 0.000 0.939 112 S HN 0.884 nan 8.310 nan 0.000 0.490 113 C N 4.137 123.438 119.300 0.001 0.000 3.090 113 C HA 0.681 5.142 4.460 0.001 0.000 0.347 113 C C -0.955 174.021 174.990 -0.025 0.000 1.147 113 C CA -0.325 58.725 59.018 0.053 0.000 1.305 113 C CB 0.329 28.177 27.740 0.179 0.000 1.692 113 C HN 0.699 nan 8.230 nan 0.000 0.506 114 V N 3.159 123.050 119.914 -0.038 0.000 3.046 114 V HA 0.898 5.019 4.120 0.001 0.000 0.316 114 V C -0.030 175.947 176.094 -0.194 0.000 1.104 114 V CA -0.438 61.780 62.300 -0.136 0.000 1.006 114 V CB 2.023 33.738 31.823 -0.180 0.000 1.058 114 V HN 0.953 nan 8.190 nan 0.000 0.440 115 S N -0.099 115.447 115.700 -0.256 0.000 2.548 115 S HA 0.454 4.925 4.470 0.001 0.000 0.286 115 S C -0.290 174.086 174.600 -0.373 0.000 1.098 115 S CA -0.511 57.515 58.200 -0.290 0.000 0.930 115 S CB 1.676 64.781 63.200 -0.159 0.000 1.070 115 S HN 0.960 nan 8.310 nan 0.000 0.480 116 D N 1.296 121.457 120.400 -0.399 0.000 2.325 116 D HA 0.137 4.778 4.640 0.001 0.000 0.234 116 D C 0.019 176.237 176.300 -0.136 0.000 1.122 116 D CA -0.118 53.737 54.000 -0.243 0.000 0.850 116 D CB -0.607 40.162 40.800 -0.052 0.000 0.921 116 D HN 0.384 nan 8.370 nan 0.000 0.513 117 S N -0.043 115.571 115.700 -0.143 0.000 3.242 117 S HA -0.243 4.228 4.470 0.001 0.000 0.357 117 S C 0.219 174.768 174.600 -0.086 0.000 0.897 117 S CA 0.219 58.356 58.200 -0.105 0.000 1.349 117 S CB -1.545 61.606 63.200 -0.082 0.000 0.981 117 S HN 0.489 nan 8.310 nan 0.000 0.558 118 M N 2.235 121.774 119.600 -0.101 0.000 2.216 118 M HA 0.317 4.798 4.480 0.001 0.000 0.356 118 M C 1.069 177.343 176.300 -0.043 0.000 1.205 118 M CA -0.051 55.204 55.300 -0.074 0.000 1.122 118 M CB 1.037 33.572 32.600 -0.108 0.000 1.571 118 M HN 0.684 nan 8.290 nan 0.000 0.464 119 T N -2.178 112.367 114.554 -0.016 0.000 2.718 119 T HA 0.380 4.731 4.350 0.001 0.000 0.267 119 T C 0.952 175.663 174.700 0.018 0.000 0.957 119 T CA -0.911 61.186 62.100 -0.005 0.000 1.025 119 T CB 1.117 69.981 68.868 -0.005 0.000 1.355 119 T HN 0.586 nan 8.240 nan 0.000 0.572 120 E N 1.434 121.646 120.200 0.021 0.000 2.072 120 E HA -0.265 4.086 4.350 0.001 0.000 0.218 120 E C 1.885 178.525 176.600 0.066 0.000 1.051 120 E CA 2.398 58.817 56.400 0.032 0.000 0.880 120 E CB -0.486 29.232 29.700 0.030 0.000 0.783 120 E HN 0.895 nan 8.360 nan 0.000 0.473 121 D N -0.072 120.393 120.400 0.109 0.000 2.264 121 D HA -0.097 4.544 4.640 0.001 0.000 0.208 121 D C 1.703 178.159 176.300 0.260 0.000 0.966 121 D CA 1.176 55.320 54.000 0.238 0.000 0.864 121 D CB -0.090 40.869 40.800 0.265 0.000 0.933 121 D HN 0.127 nan 8.370 nan 0.000 0.499 122 A N 1.065 123.966 122.820 0.135 0.000 1.968 122 A HA 0.231 4.552 4.320 0.001 0.000 0.217 122 A C 2.463 180.118 177.584 0.119 0.000 1.169 122 A CA 1.578 53.684 52.037 0.113 0.000 0.638 122 A CB -0.490 18.538 19.000 0.047 0.000 0.812 122 A HN 0.370 nan 8.150 nan 0.000 0.446 123 A N -0.459 122.412 122.820 0.084 0.000 1.872 123 A HA 0.100 4.421 4.320 0.001 0.000 0.214 123 A C 2.195 179.804 177.584 0.040 0.000 1.187 123 A CA 1.550 53.626 52.037 0.066 0.000 0.614 123 A CB -0.868 18.155 19.000 0.039 0.000 0.826 123 A HN 0.328 nan 8.150 nan 0.000 0.442 124 V N -1.213 118.696 119.914 -0.008 0.000 2.261 124 V HA -0.223 3.897 4.120 0.001 0.000 0.246 124 V C 2.172 178.124 176.094 -0.236 0.000 1.047 124 V CA 2.013 64.212 62.300 -0.169 0.000 1.015 124 V CB -1.031 30.605 31.823 -0.312 0.000 0.642 124 V HN 0.546 nan 8.190 nan 0.000 0.446 125 F N 0.761 120.727 119.950 0.026 0.000 2.780 125 F HA 0.447 4.975 4.527 0.001 0.000 0.299 125 F C 1.468 177.291 175.800 0.038 0.000 1.146 125 F CA 0.623 58.636 58.000 0.022 0.000 1.428 125 F CB -0.594 38.408 39.000 0.003 0.000 1.115 125 F HN 0.297 nan 8.300 nan 0.000 0.583 126 G N 0.747 109.667 108.800 0.201 0.000 3.429 126 G HA2 -0.060 3.901 3.960 0.001 0.000 0.605 126 G HA3 -0.060 3.901 3.960 0.001 0.000 0.605 126 G C 0.510 175.515 174.900 0.175 0.000 0.973 126 G CA -0.418 44.815 45.100 0.221 0.000 0.774 126 G HN 0.683 nan 8.290 nan 0.000 0.422 127 G N 1.106 110.035 108.800 0.216 0.000 2.843 127 G HA2 0.343 4.304 3.960 0.001 0.000 0.275 127 G HA3 0.343 4.304 3.960 0.001 0.000 0.275 127 G C 0.888 175.808 174.900 0.032 0.000 0.709 127 G CA 0.789 45.970 45.100 0.135 0.000 2.089 127 G HN 1.035 nan 8.290 nan 0.000 0.571 128 Q N 0.242 119.804 119.800 -0.396 0.000 2.163 128 Q HA -0.076 4.265 4.340 0.001 0.000 0.198 128 Q C 2.314 178.047 176.000 -0.444 0.000 0.954 128 Q CA 0.605 55.842 55.803 -0.943 0.000 0.851 128 Q CB -0.020 28.029 28.738 -1.148 0.000 0.928 128 Q HN 0.459 nan 8.270 nan 0.000 0.459 129 Q N 0.714 120.342 119.800 -0.287 0.000 2.084 129 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 129 Q C 1.645 177.545 176.000 -0.167 0.000 0.978 129 Q CA 1.715 57.373 55.803 -0.242 0.000 0.844 129 Q CB -0.262 28.384 28.738 -0.154 0.000 0.898 129 Q HN 0.469 nan 8.270 nan 0.000 0.426 130 N N 0.233 118.895 118.700 -0.063 0.000 2.094 130 N HA -0.197 4.544 4.740 0.001 0.000 0.191 130 N C 1.552 177.125 175.510 0.106 0.000 1.023 130 N CA 1.657 54.718 53.050 0.017 0.000 0.857 130 N CB -0.258 38.248 38.487 0.032 0.000 1.013 130 N HN 0.137 nan 8.380 nan 0.000 0.426 131 M N 1.151 120.839 119.600 0.146 0.000 2.067 131 M HA -0.080 4.401 4.480 0.001 0.000 0.260 131 M C 1.406 177.691 176.300 -0.026 0.000 1.069 131 M CA 1.642 57.055 55.300 0.188 0.000 1.117 131 M CB -0.112 32.582 32.600 0.157 0.000 1.334 131 M HN -0.030 nan 8.290 nan 0.000 0.407 132 K N 0.019 120.256 120.400 -0.272 0.000 1.969 132 K HA -0.180 4.141 4.320 0.001 0.000 0.216 132 K C 1.783 178.169 176.600 -0.357 0.000 1.048 132 K CA 1.853 57.769 56.287 -0.619 0.000 0.948 132 K CB -0.680 30.981 32.500 -1.398 0.000 0.726 132 K HN 0.374 nan 8.250 nan 0.000 0.442 133 D N 0.141 120.394 120.400 -0.245 0.000 2.104 133 D HA -0.134 4.507 4.640 0.001 0.000 0.194 133 D C 2.067 178.418 176.300 0.085 0.000 0.994 133 D CA 1.556 55.570 54.000 0.024 0.000 0.830 133 D CB -0.716 40.099 40.800 0.025 0.000 0.959 133 D HN 0.412 nan 8.370 nan 0.000 0.452 134 G N 1.102 109.963 108.800 0.101 0.000 2.476 134 G HA2 -0.246 3.715 3.960 0.001 0.000 0.218 134 G HA3 -0.246 3.715 3.960 0.001 0.000 0.218 134 G C 1.852 176.943 174.900 0.319 0.000 1.164 134 G CA 0.581 45.797 45.100 0.194 0.000 0.768 134 G HN 0.247 nan 8.290 nan 0.000 0.560 135 L N -0.300 121.092 121.223 0.282 0.000 2.027 135 L HA -0.096 4.245 4.340 0.001 0.000 0.206 135 L C 2.995 179.903 176.870 0.064 0.000 1.074 135 L CA 1.629 56.561 54.840 0.153 0.000 0.745 135 L CB -0.555 41.486 42.059 -0.030 0.000 0.898 135 L HN 0.340 nan 8.230 nan 0.000 0.433 136 Q N 0.275 120.130 119.800 0.092 0.000 2.030 136 Q HA -0.241 4.099 4.340 0.001 0.000 0.204 136 Q C 2.035 178.078 176.000 0.071 0.000 0.986 136 Q CA 1.999 57.854 55.803 0.087 0.000 0.843 136 Q CB 0.039 28.906 28.738 0.214 0.000 0.904 136 Q HN 0.450 nan 8.270 nan 0.000 0.420 137 N N 0.337 119.100 118.700 0.105 0.000 2.069 137 N HA -0.182 4.558 4.740 0.001 0.000 0.191 137 N C 1.916 177.505 175.510 0.133 0.000 1.031 137 N CA 1.341 54.451 53.050 0.099 0.000 0.852 137 N CB -1.081 37.467 38.487 0.101 0.000 1.018 137 N HN 0.366 nan 8.380 nan 0.000 0.423 138 C N 1.761 121.168 119.300 0.179 0.000 2.413 138 C HA -0.117 4.344 4.460 0.001 0.000 0.277 138 C C 2.715 177.846 174.990 0.236 0.000 1.228 138 C CA 1.153 60.330 59.018 0.266 0.000 1.731 138 C CB -0.929 26.983 27.740 0.287 0.000 2.042 138 C HN 0.482 nan 8.230 nan 0.000 0.468 139 K N 0.548 121.000 120.400 0.088 0.000 1.991 139 K HA -0.148 4.173 4.320 0.001 0.000 0.212 139 K C 2.202 178.842 176.600 0.067 0.000 1.049 139 K CA 1.976 58.277 56.287 0.022 0.000 0.932 139 K CB -0.562 31.784 32.500 -0.257 0.000 0.717 139 K HN 0.497 nan 8.250 nan 0.000 0.441 140 A N 0.628 123.467 122.820 0.031 0.000 1.917 140 A HA -0.171 4.149 4.320 0.001 0.000 0.219 140 A C 2.204 179.788 177.584 -0.001 0.000 1.182 140 A CA 2.428 54.477 52.037 0.018 0.000 0.633 140 A CB -1.052 17.953 19.000 0.008 0.000 0.819 140 A HN 0.562 nan 8.150 nan 0.000 0.448 141 T N -1.867 112.676 114.554 -0.019 0.000 2.770 141 T HA -0.023 4.328 4.350 0.001 0.000 0.258 141 T C 1.330 175.831 174.700 -0.332 0.000 1.039 141 T CA 1.530 63.504 62.100 -0.210 0.000 1.143 141 T CB -0.332 68.337 68.868 -0.332 0.000 0.866 141 T HN 0.552 nan 8.240 nan 0.000 0.428 142 Y N 0.894 121.277 120.300 0.138 0.000 2.458 142 Y HA 0.361 4.912 4.550 0.001 0.000 0.256 142 Y C 0.493 176.560 175.900 0.279 0.000 1.159 142 Y CA -0.757 57.468 58.100 0.209 0.000 1.261 142 Y CB -0.216 38.382 38.460 0.229 0.000 1.119 142 Y HN 0.009 nan 8.280 nan 0.000 0.524 143 K N 0.067 120.621 120.400 0.257 0.000 3.213 143 K HA -0.207 4.114 4.320 0.001 0.000 0.266 143 K C -2.816 173.867 176.600 0.138 0.000 0.911 143 K CA 0.362 56.761 56.287 0.187 0.000 0.684 143 K CB -1.487 31.086 32.500 0.122 0.000 1.402 143 K HN 0.325 nan 8.250 nan 0.000 0.465 144 P HA 0.132 nan 4.420 nan 0.000 0.276 144 P C -0.267 177.069 177.300 0.061 0.000 1.244 144 P CA -0.302 62.758 63.100 -0.067 0.000 0.801 144 P CB 1.052 32.869 31.700 0.195 0.000 1.006 145 D N -0.217 120.079 120.400 -0.174 0.000 2.249 145 D HA 0.128 4.768 4.640 0.001 0.000 0.205 145 D C 0.733 176.722 176.300 -0.520 0.000 0.962 145 D CA 1.285 55.134 54.000 -0.251 0.000 0.860 145 D CB 0.147 40.807 40.800 -0.233 0.000 0.955 145 D HN 0.311 nan 8.370 nan 0.000 0.505 146 M N 0.146 119.593 119.600 -0.255 0.000 2.520 146 M HA 0.409 4.889 4.480 0.001 0.000 0.283 146 M C -1.985 174.376 176.300 0.102 0.000 1.237 146 M CA -0.572 54.596 55.300 -0.219 0.000 0.885 146 M CB 2.460 34.967 32.600 -0.156 0.000 1.727 146 M HN -0.317 nan 8.290 nan 0.000 0.468 147 I N 3.075 123.753 120.570 0.180 0.000 2.447 147 I HA 0.526 4.697 4.170 0.001 0.000 0.287 147 I C -0.515 175.611 176.117 0.015 0.000 1.023 147 I CA -0.776 60.634 61.300 0.183 0.000 1.083 147 I CB 2.027 40.178 38.000 0.251 0.000 1.245 147 I HN 0.810 nan 8.210 nan 0.000 0.434 148 A N 7.217 130.053 122.820 0.026 0.000 2.280 148 A HA 0.610 4.930 4.320 0.001 0.000 0.320 148 A C -0.303 177.295 177.584 0.024 0.000 1.366 148 A CA -0.434 51.573 52.037 -0.050 0.000 0.938 148 A CB 0.320 19.279 19.000 -0.067 0.000 1.157 148 A HN 0.459 nan 8.150 nan 0.000 0.536 149 V N 3.096 122.996 119.914 -0.024 0.000 2.488 149 V HA 0.402 4.523 4.120 0.001 0.000 0.277 149 V C 0.589 176.719 176.094 0.060 0.000 1.046 149 V CA 0.136 62.456 62.300 0.032 0.000 0.986 149 V CB 0.777 32.548 31.823 -0.087 0.000 0.989 149 V HN 0.929 nan 8.190 nan 0.000 0.475 150 S N 2.590 118.371 115.700 0.135 0.000 2.823 150 S HA 0.864 5.335 4.470 0.001 0.000 0.316 150 S C -0.084 174.600 174.600 0.140 0.000 1.116 150 S CA -0.729 57.528 58.200 0.095 0.000 0.911 150 S CB 2.274 65.535 63.200 0.102 0.000 1.276 150 S HN 0.878 nan 8.310 nan 0.000 0.565 151 T N -0.354 114.274 114.554 0.123 0.000 2.865 151 T HA 0.715 5.066 4.350 0.001 0.000 0.294 151 T C -0.986 173.826 174.700 0.187 0.000 1.119 151 T CA -0.741 61.458 62.100 0.165 0.000 1.007 151 T CB 1.422 70.356 68.868 0.110 0.000 1.225 151 T HN 0.443 nan 8.240 nan 0.000 0.515 152 T N 0.656 115.329 114.554 0.198 0.000 2.912 152 T HA 0.343 4.694 4.350 0.001 0.000 0.288 152 T C 1.667 176.485 174.700 0.197 0.000 1.030 152 T CA -0.728 61.489 62.100 0.195 0.000 1.020 152 T CB 0.955 69.916 68.868 0.155 0.000 1.056 152 T HN 0.992 nan 8.240 nan 0.000 0.480 153 C N 1.773 121.207 119.300 0.222 0.000 2.396 153 C HA -0.179 4.282 4.460 0.001 0.000 0.277 153 C C 2.614 177.783 174.990 0.298 0.000 1.231 153 C CA 0.599 59.830 59.018 0.355 0.000 1.775 153 C CB -1.464 26.529 27.740 0.421 0.000 2.036 153 C HN 0.911 nan 8.230 nan 0.000 0.484 154 M N 2.226 121.942 119.600 0.192 0.000 2.082 154 M HA -0.179 4.302 4.480 0.001 0.000 0.258 154 M C 2.554 178.954 176.300 0.166 0.000 1.071 154 M CA 2.620 58.004 55.300 0.141 0.000 1.103 154 M CB -0.499 32.155 32.600 0.091 0.000 1.307 154 M HN 0.455 nan 8.290 nan 0.000 0.409 155 A N -0.254 122.680 122.820 0.190 0.000 2.019 155 A HA -0.141 4.180 4.320 0.001 0.000 0.219 155 A C 1.813 179.540 177.584 0.239 0.000 1.164 155 A CA 1.526 53.713 52.037 0.250 0.000 0.644 155 A CB -0.577 18.650 19.000 0.379 0.000 0.805 155 A HN 0.607 nan 8.150 nan 0.000 0.449 156 E N -0.339 120.014 120.200 0.255 0.000 2.158 156 E HA -0.036 4.315 4.350 0.001 0.000 0.191 156 E C 2.147 178.916 176.600 0.281 0.000 0.982 156 E CA 0.963 57.533 56.400 0.284 0.000 0.823 156 E CB -0.293 29.578 29.700 0.286 0.000 0.766 156 E HN 0.414 nan 8.360 nan 0.000 0.468 157 V N 2.344 122.408 119.914 0.250 0.000 2.323 157 V HA -0.168 3.953 4.120 0.001 0.000 0.244 157 V C 2.391 178.544 176.094 0.098 0.000 1.041 157 V CA 1.537 63.920 62.300 0.139 0.000 1.025 157 V CB -0.598 31.262 31.823 0.062 0.000 0.656 157 V HN 0.326 nan 8.190 nan 0.000 0.451 158 I N -0.167 120.469 120.570 0.109 0.000 3.456 158 I HA 0.277 4.448 4.170 0.001 0.000 0.291 158 I C 1.338 177.513 176.117 0.096 0.000 1.307 158 I CA 0.716 62.073 61.300 0.095 0.000 1.333 158 I CB -1.294 36.773 38.000 0.112 0.000 1.032 158 I HN 0.381 nan 8.210 nan 0.000 0.506 159 G N 2.235 111.090 108.800 0.093 0.000 2.395 159 G HA2 -0.287 3.674 3.960 0.001 0.000 0.300 159 G HA3 -0.287 3.674 3.960 0.001 0.000 0.300 159 G C -0.425 174.481 174.900 0.011 0.000 0.998 159 G CA 0.481 45.612 45.100 0.051 0.000 1.046 159 G HN 0.592 nan 8.290 nan 0.000 0.513 160 D N 0.466 120.875 120.400 0.015 0.000 2.346 160 D HA 0.256 4.897 4.640 0.001 0.000 0.260 160 D C 0.545 176.497 176.300 -0.580 0.000 1.252 160 D CA -0.068 53.792 54.000 -0.233 0.000 0.895 160 D CB 0.815 41.603 40.800 -0.019 0.000 1.097 160 D HN 0.225 nan 8.370 nan 0.000 0.489 161 D N 3.774 123.692 120.400 -0.803 0.000 2.429 161 D HA -0.028 4.613 4.640 0.001 0.000 0.253 161 D C 1.426 177.140 176.300 -0.977 0.000 1.294 161 D CA -0.037 53.589 54.000 -0.625 0.000 1.063 161 D CB 0.116 40.710 40.800 -0.343 0.000 1.096 161 D HN 0.397 nan 8.370 nan 0.000 0.516 162 L N 2.903 123.656 121.223 -0.783 0.000 2.010 162 L HA -0.277 4.063 4.340 0.001 0.000 0.219 162 L C 2.365 178.723 176.870 -0.854 0.000 1.077 162 L CA 1.412 55.742 54.840 -0.850 0.000 0.773 162 L CB -0.573 41.004 42.059 -0.804 0.000 0.892 162 L HN 0.513 nan 8.230 nan 0.000 0.436 163 N N -0.183 117.904 118.700 -1.023 0.000 2.043 163 N HA -0.230 4.511 4.740 0.001 0.000 0.193 163 N C 1.901 177.197 175.510 -0.357 0.000 1.037 163 N CA 1.421 53.951 53.050 -0.866 0.000 0.851 163 N CB 0.024 38.177 38.487 -0.556 0.000 1.027 163 N HN 0.348 nan 8.380 nan 0.000 0.422 164 A N 0.921 123.601 122.820 -0.233 0.000 1.865 164 A HA -0.141 4.180 4.320 0.001 0.000 0.217 164 A C 1.904 179.562 177.584 0.124 0.000 1.191 164 A CA 1.243 53.268 52.037 -0.020 0.000 0.623 164 A CB -0.969 18.063 19.000 0.053 0.000 0.826 164 A HN 0.359 nan 8.150 nan 0.000 0.444 165 F N 0.057 119.885 119.950 -0.202 0.000 2.069 165 F HA -0.167 4.361 4.527 0.001 0.000 0.298 165 F C 2.307 177.990 175.800 -0.196 0.000 1.113 165 F CA 0.758 58.642 58.000 -0.194 0.000 1.214 165 F CB -1.292 37.562 39.000 -0.242 0.000 0.978 165 F HN 0.131 nan 8.300 nan 0.000 0.474 166 I N 0.057 120.602 120.570 -0.042 0.000 2.163 166 I HA -0.355 3.815 4.170 0.001 0.000 0.243 166 I C 2.148 178.244 176.117 -0.035 0.000 1.085 166 I CA 1.640 62.884 61.300 -0.093 0.000 1.347 166 I CB -0.701 37.191 38.000 -0.180 0.000 1.044 166 I HN 0.216 nan 8.210 nan 0.000 0.408 167 N N 0.834 119.512 118.700 -0.037 0.000 2.069 167 N HA -0.202 4.539 4.740 0.001 0.000 0.191 167 N C 1.588 177.112 175.510 0.022 0.000 1.031 167 N CA 1.355 54.406 53.050 0.002 0.000 0.852 167 N CB -0.186 38.298 38.487 -0.006 0.000 1.018 167 N HN 0.359 nan 8.380 nan 0.000 0.423 168 N N 0.642 119.354 118.700 0.020 0.000 2.223 168 N HA -0.046 4.695 4.740 0.001 0.000 0.185 168 N C 1.647 177.181 175.510 0.040 0.000 1.016 168 N CA 0.712 53.776 53.050 0.024 0.000 0.863 168 N CB -0.294 38.192 38.487 -0.002 0.000 0.983 168 N HN 0.121 nan 8.380 nan 0.000 0.429 169 S N 1.017 116.718 115.700 0.002 0.000 2.382 169 S HA -0.052 4.419 4.470 0.001 0.000 0.228 169 S C 1.806 176.501 174.600 0.159 0.000 1.027 169 S CA 1.054 59.264 58.200 0.015 0.000 0.991 169 S CB 0.061 63.224 63.200 -0.063 0.000 0.823 169 S HN 0.399 nan 8.310 nan 0.000 0.469 170 K N 1.025 121.482 120.400 0.095 0.000 2.044 170 K HA 0.017 4.338 4.320 0.001 0.000 0.204 170 K C 2.248 178.904 176.600 0.092 0.000 1.049 170 K CA 0.878 57.223 56.287 0.096 0.000 0.945 170 K CB -0.144 32.403 32.500 0.079 0.000 0.724 170 K HN 0.138 nan 8.250 nan 0.000 0.440 171 K N 1.657 122.104 120.400 0.079 0.000 2.147 171 K HA -0.150 4.170 4.320 0.001 0.000 0.205 171 K C 1.078 177.722 176.600 0.072 0.000 1.049 171 K CA 1.381 57.706 56.287 0.063 0.000 0.936 171 K CB 0.178 32.708 32.500 0.049 0.000 0.722 171 K HN 0.129 nan 8.250 nan 0.000 0.446 172 E N -0.820 119.461 120.200 0.135 0.000 2.403 172 E HA 0.060 4.411 4.350 0.001 0.000 0.187 172 E C 0.427 177.039 176.600 0.021 0.000 1.073 172 E CA 0.282 56.770 56.400 0.147 0.000 0.888 172 E CB 0.384 30.284 29.700 0.333 0.000 1.035 172 E HN 0.544 nan 8.360 nan 0.000 0.471 173 G N 0.782 109.594 108.800 0.020 0.000 2.168 173 G HA2 -0.318 3.643 3.960 0.001 0.000 0.257 173 G HA3 -0.318 3.643 3.960 0.001 0.000 0.257 173 G C 0.506 175.314 174.900 -0.152 0.000 0.997 173 G CA 0.280 45.333 45.100 -0.079 0.000 0.708 173 G HN 0.362 nan 8.290 nan 0.000 0.520 174 F N 0.408 120.342 119.950 -0.027 0.000 2.325 174 F HA 0.304 4.832 4.527 0.001 0.000 0.299 174 F C 1.775 177.538 175.800 -0.062 0.000 1.090 174 F CA 1.534 59.512 58.000 -0.038 0.000 1.392 174 F CB 0.089 39.068 39.000 -0.035 0.000 1.053 174 F HN 0.483 nan 8.300 nan 0.000 0.521 175 I N -4.768 115.856 120.570 0.089 0.000 3.004 175 I HA 0.468 4.639 4.170 0.001 0.000 0.305 175 I C -2.975 173.158 176.117 0.027 0.000 1.312 175 I CA -2.749 58.539 61.300 -0.021 0.000 0.992 175 I CB 1.559 39.477 38.000 -0.136 0.000 1.282 175 I HN -0.439 nan 8.210 nan 0.000 0.449 176 P HA 0.071 nan 4.420 nan 0.000 0.265 176 P C -0.093 177.293 177.300 0.142 0.000 1.193 176 P CA 0.264 63.428 63.100 0.106 0.000 0.765 176 P CB 0.619 32.415 31.700 0.160 0.000 0.823 177 D N 2.858 123.321 120.400 0.105 0.000 2.182 177 D HA -0.220 4.421 4.640 0.001 0.000 0.201 177 D C 1.380 177.757 176.300 0.128 0.000 0.986 177 D CA 1.163 55.224 54.000 0.102 0.000 0.847 177 D CB 0.155 40.994 40.800 0.066 0.000 0.942 177 D HN 0.429 nan 8.370 nan 0.000 0.467 178 E N -0.181 120.101 120.200 0.136 0.000 2.489 178 E HA -0.092 4.259 4.350 0.001 0.000 0.193 178 E C 0.044 176.753 176.600 0.181 0.000 1.057 178 E CA -0.367 56.112 56.400 0.132 0.000 0.866 178 E CB -0.802 28.951 29.700 0.088 0.000 0.916 178 E HN 0.336 nan 8.360 nan 0.000 0.500 179 F N 4.975 124.972 119.950 0.080 0.000 2.541 179 F HA 0.154 4.682 4.527 0.001 0.000 0.378 179 F C -1.901 173.952 175.800 0.087 0.000 1.068 179 F CA -2.585 55.459 58.000 0.073 0.000 1.199 179 F CB 0.622 39.651 39.000 0.049 0.000 1.091 179 F HN -0.156 nan 8.300 nan 0.000 0.555 180 P HA -0.014 nan 4.420 nan 0.000 0.264 180 P C -0.794 176.346 177.300 -0.268 0.000 1.236 180 P CA 0.259 63.258 63.100 -0.168 0.000 0.811 180 P CB 0.655 32.301 31.700 -0.090 0.000 0.840 181 V N 6.323 126.023 119.914 -0.357 0.000 2.361 181 V HA 0.198 4.319 4.120 0.001 0.000 0.252 181 V C -1.815 174.013 176.094 -0.443 0.000 0.986 181 V CA -1.783 60.379 62.300 -0.232 0.000 1.033 181 V CB 0.900 32.731 31.823 0.014 0.000 1.282 181 V HN 0.482 nan 8.190 nan 0.000 0.514 182 P HA 0.313 nan 4.420 nan 0.000 0.271 182 P C -0.786 176.381 177.300 -0.222 0.000 1.218 182 P CA 0.174 62.896 63.100 -0.630 0.000 0.780 182 P CB 1.135 32.380 31.700 -0.759 0.000 0.901 183 F N -0.414 119.381 119.950 -0.259 0.000 2.664 183 F HA 0.904 5.432 4.527 0.002 0.000 0.329 183 F C -1.427 174.260 175.800 -0.189 0.000 1.090 183 F CA -1.704 56.162 58.000 -0.223 0.000 0.978 183 F CB 1.173 40.036 39.000 -0.230 0.000 1.378 183 F HN 0.523 nan 8.300 nan 0.000 0.495 184 A N 0.485 123.260 122.820 -0.075 0.000 2.532 184 A HA 0.449 4.770 4.320 0.001 0.000 0.296 184 A C -1.984 175.576 177.584 -0.041 0.000 1.058 184 A CA -0.658 51.309 52.037 -0.117 0.000 0.729 184 A CB 0.631 19.546 19.000 -0.142 0.000 1.285 184 A HN 0.928 nan 8.150 nan 0.000 0.396 185 H N 2.261 121.354 119.070 0.038 0.000 2.668 185 H HA 0.368 4.925 4.556 0.001 0.000 0.303 185 H C 0.078 175.399 175.328 -0.013 0.000 1.074 185 H CA 1.255 57.321 56.048 0.031 0.000 1.406 185 H CB 1.061 30.837 29.762 0.024 0.000 1.442 185 H HN 0.673 nan 8.280 nan 0.000 0.482 186 T N 1.628 116.218 114.554 0.061 0.000 3.466 186 T HA 0.190 4.541 4.350 0.001 0.000 0.297 186 T C -2.778 171.882 174.700 -0.068 0.000 1.640 186 T CA -1.975 60.125 62.100 -0.001 0.000 1.631 186 T CB 0.607 69.478 68.868 0.007 0.000 0.928 186 T HN 0.315 nan 8.240 nan 0.000 0.688 187 P HA 0.088 nan 4.420 nan 0.000 0.261 187 P C 1.044 178.038 177.300 -0.510 0.000 1.203 187 P CA 0.189 62.972 63.100 -0.528 0.000 0.767 187 P CB 0.974 32.100 31.700 -0.956 0.000 0.785 188 S N 3.762 119.302 115.700 -0.267 0.000 2.380 188 S HA -0.212 4.259 4.470 0.001 0.000 0.229 188 S C 1.299 175.854 174.600 -0.074 0.000 1.043 188 S CA 1.712 59.877 58.200 -0.058 0.000 1.038 188 S CB -1.128 62.149 63.200 0.128 0.000 0.872 188 S HN 0.696 nan 8.310 nan 0.000 0.456 189 F N 1.143 121.120 119.950 0.044 0.000 2.716 189 F HA 0.532 5.060 4.527 0.001 0.000 0.301 189 F C -0.096 175.721 175.800 0.027 0.000 1.210 189 F CA -0.661 57.358 58.000 0.030 0.000 1.422 189 F CB -0.664 38.355 39.000 0.031 0.000 1.073 189 F HN -0.161 nan 8.300 nan 0.000 0.525 190 V N 0.260 120.066 119.914 -0.180 0.000 2.760 190 V HA 0.748 4.869 4.120 0.001 0.000 0.309 190 V C 0.738 176.787 176.094 -0.074 0.000 1.077 190 V CA -0.699 61.545 62.300 -0.093 0.000 0.910 190 V CB 0.837 32.562 31.823 -0.162 0.000 1.008 190 V HN 0.586 nan 8.190 nan 0.000 0.424 191 G N 4.382 113.164 108.800 -0.030 0.000 2.651 191 G HA2 -0.148 3.813 3.960 0.001 0.000 0.315 191 G HA3 -0.148 3.813 3.960 0.001 0.000 0.315 191 G C 0.248 175.101 174.900 -0.079 0.000 1.258 191 G CA 1.085 46.158 45.100 -0.045 0.000 1.002 191 G HN 2.068 nan 8.290 nan 0.000 0.551 192 S N -2.684 112.939 115.700 -0.129 0.000 2.724 192 S HA 0.578 5.049 4.470 0.001 0.000 0.278 192 S C 1.020 175.490 174.600 -0.216 0.000 1.190 192 S CA 0.681 58.781 58.200 -0.167 0.000 0.860 192 S CB 0.659 63.704 63.200 -0.257 0.000 1.206 192 S HN 1.761 nan 8.310 nan 0.000 0.507 193 H N 0.964 119.923 119.070 -0.185 0.000 2.353 193 H HA -0.110 4.447 4.556 0.001 0.000 0.298 193 H C 2.180 177.383 175.328 -0.208 0.000 1.103 193 H CA 2.294 58.218 56.048 -0.208 0.000 1.293 193 H CB -1.487 28.076 29.762 -0.331 0.000 1.372 193 H HN 0.625 nan 8.280 nan 0.000 0.501 194 V N -0.061 119.335 119.914 -0.863 0.000 2.407 194 V HA -0.192 3.929 4.120 0.001 0.000 0.248 194 V C 2.353 178.348 176.094 -0.165 0.000 1.055 194 V CA 2.131 64.071 62.300 -0.600 0.000 1.049 194 V CB -1.380 29.957 31.823 -0.810 0.000 0.662 194 V HN 0.388 nan 8.190 nan 0.000 0.455 195 T N 1.145 115.617 114.554 -0.135 0.000 2.788 195 T HA 0.001 4.352 4.350 0.001 0.000 0.268 195 T C 1.962 176.696 174.700 0.057 0.000 1.044 195 T CA 1.633 63.730 62.100 -0.006 0.000 1.139 195 T CB -0.817 68.028 68.868 -0.038 0.000 0.867 195 T HN 0.709 nan 8.240 nan 0.000 0.454 196 G N -0.109 108.719 108.800 0.046 0.000 2.421 196 G HA2 -0.223 3.738 3.960 0.001 0.000 0.216 196 G HA3 -0.223 3.738 3.960 0.001 0.000 0.216 196 G C 1.335 176.336 174.900 0.169 0.000 1.171 196 G CA 0.519 45.667 45.100 0.080 0.000 0.775 196 G HN 0.564 nan 8.290 nan 0.000 0.543 197 W N 1.189 122.545 121.300 0.093 0.000 2.335 197 W HA -0.112 4.549 4.660 0.001 0.000 0.311 197 W C 2.299 178.929 176.519 0.184 0.000 1.213 197 W CA 1.615 59.068 57.345 0.181 0.000 1.274 197 W CB 0.021 29.614 29.460 0.222 0.000 1.148 197 W HN 0.259 nan 8.180 nan 0.000 0.498 198 D N -0.062 120.652 120.400 0.523 0.000 2.087 198 D HA -0.249 4.391 4.640 0.001 0.000 0.192 198 D C 1.764 178.205 176.300 0.234 0.000 0.993 198 D CA 1.985 56.230 54.000 0.409 0.000 0.828 198 D CB -0.613 40.350 40.800 0.270 0.000 0.968 198 D HN 0.029 nan 8.370 nan 0.000 0.448 199 N N -0.223 118.553 118.700 0.127 0.000 2.069 199 N HA -0.182 4.559 4.740 0.001 0.000 0.191 199 N C 1.729 177.221 175.510 -0.029 0.000 1.031 199 N CA 1.125 54.194 53.050 0.033 0.000 0.852 199 N CB -0.564 37.933 38.487 0.016 0.000 1.018 199 N HN 0.260 nan 8.380 nan 0.000 0.423 200 M N -0.119 119.460 119.600 -0.035 0.000 2.080 200 M HA -0.082 4.399 4.480 0.001 0.000 0.260 200 M C 1.825 178.021 176.300 -0.174 0.000 1.068 200 M CA 1.272 56.493 55.300 -0.130 0.000 1.109 200 M CB -0.654 31.856 32.600 -0.150 0.000 1.342 200 M HN 0.153 nan 8.290 nan 0.000 0.405 201 F N 0.655 120.458 119.950 -0.246 0.000 2.075 201 F HA -0.206 4.322 4.527 0.001 0.000 0.297 201 F C 2.415 178.129 175.800 -0.143 0.000 1.113 201 F CA 2.341 60.232 58.000 -0.181 0.000 1.218 201 F CB -0.677 38.277 39.000 -0.076 0.000 0.984 201 F HN 0.280 nan 8.300 nan 0.000 0.472 202 E N 0.355 120.639 120.200 0.141 0.000 2.097 202 E HA -0.215 4.135 4.350 0.001 0.000 0.196 202 E C 2.382 178.728 176.600 -0.423 0.000 1.000 202 E CA 1.420 57.752 56.400 -0.114 0.000 0.804 202 E CB -0.823 28.825 29.700 -0.088 0.000 0.740 202 E HN 0.540 nan 8.360 nan 0.000 0.454 203 G N 1.252 109.827 108.800 -0.375 0.000 2.418 203 G HA2 -0.216 3.745 3.960 0.001 0.000 0.217 203 G HA3 -0.216 3.745 3.960 0.001 0.000 0.217 203 G C 1.762 176.377 174.900 -0.476 0.000 1.158 203 G CA 0.862 45.666 45.100 -0.494 0.000 0.771 203 G HN 0.273 nan 8.290 nan 0.000 0.545 204 I N 1.335 121.627 120.570 -0.464 0.000 2.252 204 I HA -0.142 4.029 4.170 0.001 0.000 0.245 204 I C 3.284 179.261 176.117 -0.234 0.000 1.102 204 I CA 0.901 61.939 61.300 -0.436 0.000 1.385 204 I CB -0.245 37.341 38.000 -0.690 0.000 1.064 204 I HN 0.239 nan 8.210 nan 0.000 0.414 205 A N 1.017 123.636 122.820 -0.335 0.000 1.902 205 A HA -0.203 4.117 4.320 0.001 0.000 0.217 205 A C 2.405 180.012 177.584 0.038 0.000 1.181 205 A CA 1.501 53.523 52.037 -0.026 0.000 0.623 205 A CB -0.536 18.423 19.000 -0.069 0.000 0.818 205 A HN 0.316 nan 8.150 nan 0.000 0.443 206 R N -2.269 117.954 120.500 -0.461 0.000 2.073 206 R HA -0.136 4.205 4.340 0.001 0.000 0.234 206 R C 2.169 178.412 176.300 -0.095 0.000 1.134 206 R CA 1.646 57.509 56.100 -0.394 0.000 0.952 206 R CB -0.616 29.330 30.300 -0.590 0.000 0.850 206 R HN 0.656 nan 8.270 nan 0.000 0.433 207 Y N 0.492 120.595 120.300 -0.329 0.000 2.081 207 Y HA -0.255 4.296 4.550 0.001 0.000 0.280 207 Y C 1.304 176.959 175.900 -0.408 0.000 1.163 207 Y CA 1.741 59.578 58.100 -0.439 0.000 1.135 207 Y CB -0.126 37.907 38.460 -0.711 0.000 0.970 207 Y HN -0.058 nan 8.280 nan 0.000 0.498 208 F N -1.065 118.959 119.950 0.124 0.000 2.692 208 F HA 0.142 4.670 4.527 0.002 0.000 0.303 208 F C 1.439 177.291 175.800 0.086 0.000 1.114 208 F CA 0.645 58.690 58.000 0.076 0.000 1.361 208 F CB 0.043 39.101 39.000 0.096 0.000 1.063 208 F HN -0.042 nan 8.300 nan 0.000 0.550 209 T N -1.518 113.195 114.554 0.264 0.000 3.388 209 T HA 0.035 4.386 4.350 0.001 0.000 0.254 209 T C 1.586 176.422 174.700 0.226 0.000 1.002 209 T CA 0.011 62.296 62.100 0.308 0.000 1.164 209 T CB -0.603 68.661 68.868 0.660 0.000 1.184 209 T HN -0.021 nan 8.240 nan 0.000 0.399 210 L N 2.464 123.861 121.223 0.290 0.000 2.167 210 L HA -0.336 4.004 4.340 0.001 0.000 0.241 210 L C 2.616 179.540 176.870 0.090 0.000 1.123 210 L CA 3.438 58.400 54.840 0.204 0.000 0.849 210 L CB -0.887 41.255 42.059 0.139 0.000 0.947 210 L HN 0.422 nan 8.230 nan 0.000 0.449 211 K N -1.190 119.226 120.400 0.026 0.000 2.001 211 K HA -0.076 4.245 4.320 0.001 0.000 0.208 211 K C 1.909 178.512 176.600 0.007 0.000 1.048 211 K CA 1.696 57.982 56.287 -0.001 0.000 0.932 211 K CB -1.701 30.773 32.500 -0.044 0.000 0.715 211 K HN 0.772 nan 8.250 nan 0.000 0.437 212 S N 0.426 116.131 115.700 0.009 0.000 2.803 212 S HA 0.055 4.526 4.470 0.001 0.000 0.226 212 S C 1.607 176.211 174.600 0.007 0.000 0.962 212 S CA 0.408 58.612 58.200 0.007 0.000 0.968 212 S CB -0.178 63.028 63.200 0.010 0.000 0.786 212 S HN 0.326 nan 8.310 nan 0.000 0.527 213 M N 2.090 121.701 119.600 0.019 0.000 2.549 213 M HA -0.015 4.465 4.480 0.001 0.000 0.260 213 M C 1.040 177.333 176.300 -0.011 0.000 1.076 213 M CA 0.581 55.885 55.300 0.005 0.000 1.090 213 M CB -1.126 31.490 32.600 0.026 0.000 1.418 213 M HN 0.340 nan 8.290 nan 0.000 0.486 214 D N 0.995 121.391 120.400 -0.007 0.000 2.097 214 D HA -0.171 4.470 4.640 0.001 0.000 0.195 214 D C 1.338 177.628 176.300 -0.016 0.000 0.989 214 D CA 1.647 55.641 54.000 -0.010 0.000 0.827 214 D CB -0.333 40.462 40.800 -0.007 0.000 0.966 214 D HN 0.539 nan 8.370 nan 0.000 0.456 215 D N 0.376 120.764 120.400 -0.019 0.000 2.363 215 D HA -0.078 4.563 4.640 0.001 0.000 0.226 215 D C 0.224 176.504 176.300 -0.032 0.000 1.020 215 D CA 0.153 54.140 54.000 -0.023 0.000 0.892 215 D CB 0.134 40.921 40.800 -0.022 0.000 0.900 215 D HN -0.067 nan 8.370 nan 0.000 0.531 216 K N 0.416 120.790 120.400 -0.043 0.000 2.298 216 K HA 0.384 4.705 4.320 0.001 0.000 0.280 216 K C -0.570 176.004 176.600 -0.043 0.000 1.032 216 K CA -0.321 55.929 56.287 -0.062 0.000 0.958 216 K CB 1.933 34.371 32.500 -0.103 0.000 0.978 216 K HN -0.119 nan 8.250 nan 0.000 0.472 217 V N 3.253 123.146 119.914 -0.037 0.000 2.569 217 V HA 0.201 4.322 4.120 0.001 0.000 0.301 217 V C -0.532 175.565 176.094 0.005 0.000 1.044 217 V CA -1.223 61.069 62.300 -0.014 0.000 0.874 217 V CB 1.920 33.735 31.823 -0.013 0.000 1.002 217 V HN 0.469 nan 8.190 nan 0.000 0.424 218 V N 4.493 124.431 119.914 0.039 0.000 2.694 218 V HA 0.336 4.457 4.120 0.001 0.000 0.306 218 V C 1.665 177.770 176.094 0.019 0.000 1.054 218 V CA 1.882 64.231 62.300 0.082 0.000 1.161 218 V CB 0.392 32.289 31.823 0.124 0.000 0.916 218 V HN 1.399 nan 8.190 nan 0.000 0.490 219 G N 3.827 112.621 108.800 -0.011 0.000 2.245 219 G HA2 -0.356 3.605 3.960 0.001 0.000 0.264 219 G HA3 -0.356 3.605 3.960 0.001 0.000 0.264 219 G C 1.235 176.119 174.900 -0.027 0.000 0.985 219 G CA 1.293 46.373 45.100 -0.033 0.000 0.625 219 G HN 1.236 nan 8.290 nan 0.000 0.536 220 S N 1.516 117.204 115.700 -0.021 0.000 2.402 220 S HA -0.225 4.246 4.470 0.001 0.000 0.233 220 S C 1.928 176.510 174.600 -0.030 0.000 1.030 220 S CA 1.963 60.148 58.200 -0.024 0.000 1.003 220 S CB -0.456 62.729 63.200 -0.025 0.000 0.813 220 S HN 1.242 nan 8.310 nan 0.000 0.477 221 N N 1.290 119.968 118.700 -0.036 0.000 2.412 221 N HA -0.008 4.733 4.740 0.001 0.000 0.184 221 N C 0.149 175.637 175.510 -0.036 0.000 1.101 221 N CA 0.514 53.540 53.050 -0.040 0.000 0.881 221 N CB -0.710 37.747 38.487 -0.049 0.000 0.969 221 N HN 0.589 nan 8.380 nan 0.000 0.459 222 K N -0.883 119.497 120.400 -0.033 0.000 3.088 222 K HA -0.218 4.103 4.320 0.001 0.000 0.273 222 K C -0.718 175.869 176.600 -0.023 0.000 1.111 222 K CA 0.883 57.153 56.287 -0.028 0.000 0.803 222 K CB -1.494 30.993 32.500 -0.022 0.000 1.226 222 K HN 0.450 nan 8.250 nan 0.000 0.485 223 K N 0.308 120.692 120.400 -0.026 0.000 2.295 223 K HA 0.621 4.942 4.320 0.001 0.000 0.239 223 K C -0.122 176.478 176.600 0.000 0.000 0.991 223 K CA -0.934 55.349 56.287 -0.007 0.000 0.845 223 K CB 1.612 34.100 32.500 -0.019 0.000 1.197 223 K HN -0.006 nan 8.250 nan 0.000 0.441 224 I N 2.426 123.027 120.570 0.051 0.000 2.382 224 I HA 0.196 4.367 4.170 0.001 0.000 0.286 224 I C -0.626 175.567 176.117 0.128 0.000 1.002 224 I CA -1.031 60.297 61.300 0.047 0.000 1.135 224 I CB 1.442 39.462 38.000 0.033 0.000 1.288 224 I HN 0.434 nan 8.210 nan 0.000 0.448 225 N N 6.817 125.599 118.700 0.138 0.000 2.492 225 N HA 0.347 5.088 4.740 0.001 0.000 0.260 225 N C -0.639 175.019 175.510 0.247 0.000 1.215 225 N CA 0.069 53.266 53.050 0.245 0.000 0.923 225 N CB 1.131 39.843 38.487 0.375 0.000 1.092 225 N HN 0.350 nan 8.380 nan 0.000 0.448 226 I N 1.844 122.583 120.570 0.281 0.000 2.499 226 I HA 0.259 4.429 4.170 0.001 0.000 0.288 226 I C -0.557 175.704 176.117 0.240 0.000 1.048 226 I CA -0.734 60.710 61.300 0.239 0.000 1.062 226 I CB 1.496 39.639 38.000 0.239 0.000 1.238 226 I HN 0.029 nan 8.210 nan 0.000 0.426 227 V N 8.653 128.656 119.914 0.148 0.000 2.334 227 V HA 0.302 4.423 4.120 0.001 0.000 0.281 227 V C -1.344 174.749 176.094 -0.002 0.000 1.016 227 V CA -1.031 61.312 62.300 0.071 0.000 0.832 227 V CB 1.756 33.485 31.823 -0.158 0.000 0.999 227 V HN 0.570 nan 8.190 nan 0.000 0.439 228 P HA 0.069 nan 4.420 nan 0.000 0.218 228 P C 0.803 177.891 177.300 -0.352 0.000 1.152 228 P CA 1.633 64.678 63.100 -0.092 0.000 0.826 228 P CB 0.548 32.312 31.700 0.106 0.000 0.790 229 G N 0.425 108.720 108.800 -0.841 0.000 2.741 229 G HA2 -0.268 3.692 3.960 0.001 0.000 0.222 229 G HA3 -0.268 3.692 3.960 0.001 0.000 0.222 229 G C -0.820 173.122 174.900 -1.596 0.000 1.364 229 G CA -0.405 43.781 45.100 -1.524 0.000 0.866 229 G HN 0.286 nan 8.290 nan 0.000 0.555 230 F N 1.791 120.890 119.950 -1.419 0.000 2.495 230 F HA 0.475 5.003 4.527 0.001 0.000 0.370 230 F C 0.606 176.201 175.800 -0.341 0.000 1.117 230 F CA 0.825 58.331 58.000 -0.822 0.000 1.060 230 F CB 0.381 39.062 39.000 -0.532 0.000 1.065 230 F HN 0.616 nan 8.300 nan 0.000 0.571 231 E N 3.285 123.258 120.200 -0.377 0.000 2.224 231 E HA 0.298 4.649 4.350 0.001 0.000 0.265 231 E C -0.189 176.343 176.600 -0.114 0.000 0.878 231 E CA -0.530 55.707 56.400 -0.271 0.000 0.759 231 E CB 1.262 30.575 29.700 -0.645 0.000 1.164 231 E HN 0.439 nan 8.360 nan 0.000 0.414 232 T N 1.215 115.740 114.554 -0.048 0.000 3.266 232 T HA 0.323 4.673 4.350 0.001 0.000 0.278 232 T C -0.510 174.355 174.700 0.276 0.000 1.010 232 T CA -0.267 61.950 62.100 0.195 0.000 0.909 232 T CB -0.426 68.385 68.868 -0.096 0.000 1.122 232 T HN 0.259 nan 8.240 nan 0.000 0.536 233 Y N 0.921 121.384 120.300 0.273 0.000 2.332 233 Y HA 0.492 5.043 4.550 0.001 0.000 0.326 233 Y C 1.101 177.155 175.900 0.258 0.000 0.978 233 Y CA -1.740 56.500 58.100 0.233 0.000 1.205 233 Y CB 1.423 39.913 38.460 0.051 0.000 1.131 233 Y HN -0.013 nan 8.280 nan 0.000 0.462 234 L N 2.023 123.544 121.223 0.498 0.000 2.079 234 L HA -0.185 4.156 4.340 0.001 0.000 0.210 234 L C 2.278 179.349 176.870 0.336 0.000 1.081 234 L CA 1.777 56.882 54.840 0.441 0.000 0.752 234 L CB -0.553 41.678 42.059 0.287 0.000 0.896 234 L HN 0.928 nan 8.230 nan 0.000 0.433 235 G N -0.106 108.830 108.800 0.227 0.000 2.450 235 G HA2 -0.266 3.695 3.960 0.001 0.000 0.220 235 G HA3 -0.266 3.695 3.960 0.001 0.000 0.220 235 G C 1.400 176.320 174.900 0.033 0.000 1.130 235 G CA 0.697 45.858 45.100 0.102 0.000 0.760 235 G HN 0.328 nan 8.290 nan 0.000 0.557 236 N N 0.277 118.970 118.700 -0.010 0.000 2.244 236 N HA -0.039 4.702 4.740 0.001 0.000 0.183 236 N C 1.794 177.177 175.510 -0.211 0.000 1.016 236 N CA 0.736 53.677 53.050 -0.182 0.000 0.866 236 N CB -0.348 37.974 38.487 -0.276 0.000 0.980 236 N HN 0.383 nan 8.380 nan 0.000 0.430 237 F N 1.267 121.218 119.950 0.002 0.000 2.098 237 F HA 0.073 4.601 4.527 0.001 0.000 0.294 237 F C 2.402 178.188 175.800 -0.023 0.000 1.107 237 F CA 0.718 58.712 58.000 -0.009 0.000 1.234 237 F CB -0.358 38.645 39.000 0.005 0.000 1.002 237 F HN -0.110 nan 8.300 nan 0.000 0.472 238 R N -0.022 120.598 120.500 0.200 0.000 2.105 238 R HA -0.147 4.194 4.340 0.001 0.000 0.239 238 R C 2.266 178.579 176.300 0.022 0.000 1.135 238 R CA 1.398 57.556 56.100 0.097 0.000 0.967 238 R CB -1.032 29.320 30.300 0.088 0.000 0.861 238 R HN 0.244 nan 8.270 nan 0.000 0.442 239 V N 1.283 121.186 119.914 -0.018 0.000 2.358 239 V HA -0.200 3.920 4.120 0.001 0.000 0.246 239 V C 1.995 178.029 176.094 -0.101 0.000 1.047 239 V CA 1.574 63.834 62.300 -0.067 0.000 1.035 239 V CB -0.221 31.536 31.823 -0.109 0.000 0.658 239 V HN 0.220 nan 8.190 nan 0.000 0.452 240 I N 0.250 120.746 120.570 -0.124 0.000 2.179 240 I HA -0.217 3.953 4.170 0.001 0.000 0.242 240 I C 2.492 178.496 176.117 -0.188 0.000 1.088 240 I CA 1.887 63.094 61.300 -0.154 0.000 1.357 240 I CB -1.384 36.532 38.000 -0.139 0.000 1.051 240 I HN 0.380 nan 8.210 nan 0.000 0.409 241 K N 0.143 120.440 120.400 -0.170 0.000 2.148 241 K HA -0.172 4.149 4.320 0.001 0.000 0.204 241 K C 2.224 178.735 176.600 -0.147 0.000 1.050 241 K CA 0.952 57.078 56.287 -0.268 0.000 0.942 241 K CB -0.138 32.365 32.500 0.006 0.000 0.724 241 K HN 0.222 nan 8.250 nan 0.000 0.446 242 R N 1.202 121.664 120.500 -0.062 0.000 2.070 242 R HA -0.093 4.248 4.340 0.001 0.000 0.232 242 R C 2.249 178.535 176.300 -0.024 0.000 1.138 242 R CA 1.646 57.735 56.100 -0.019 0.000 0.936 242 R CB -0.153 30.143 30.300 -0.007 0.000 0.839 242 R HN 0.092 nan 8.270 nan 0.000 0.429 243 M N 0.684 120.262 119.600 -0.036 0.000 2.080 243 M HA -0.219 4.262 4.480 0.001 0.000 0.260 243 M C 2.372 178.668 176.300 -0.007 0.000 1.068 243 M CA 1.764 57.063 55.300 -0.001 0.000 1.109 243 M CB -0.419 32.189 32.600 0.014 0.000 1.342 243 M HN 0.210 nan 8.290 nan 0.000 0.405 244 L N -0.649 120.523 121.223 -0.085 0.000 2.012 244 L HA -0.225 4.115 4.340 0.001 0.000 0.210 244 L C 2.613 179.486 176.870 0.005 0.000 1.073 244 L CA 1.252 56.026 54.840 -0.110 0.000 0.748 244 L CB -0.716 41.074 42.059 -0.448 0.000 0.891 244 L HN 0.275 nan 8.230 nan 0.000 0.431 245 S N -0.899 114.816 115.700 0.025 0.000 2.402 245 S HA -0.208 4.263 4.470 0.001 0.000 0.229 245 S C 1.852 176.493 174.600 0.069 0.000 1.021 245 S CA 1.090 59.359 58.200 0.114 0.000 0.974 245 S CB -0.141 63.141 63.200 0.138 0.000 0.800 245 S HN 0.396 nan 8.310 nan 0.000 0.484 246 E N 0.672 120.898 120.200 0.043 0.000 2.204 246 E HA -0.017 4.334 4.350 0.001 0.000 0.194 246 E C 1.684 178.309 176.600 0.041 0.000 0.989 246 E CA 0.819 57.243 56.400 0.041 0.000 0.824 246 E CB -0.017 29.706 29.700 0.038 0.000 0.756 246 E HN 0.491 nan 8.360 nan 0.000 0.477 247 M N -1.420 118.205 119.600 0.041 0.000 2.510 247 M HA 0.174 4.655 4.480 0.001 0.000 0.256 247 M C 1.063 177.386 176.300 0.039 0.000 1.132 247 M CA 0.671 55.993 55.300 0.037 0.000 1.105 247 M CB 0.996 33.614 32.600 0.029 0.000 1.375 247 M HN 0.232 nan 8.290 nan 0.000 0.477 248 G N 1.753 110.586 108.800 0.054 0.000 2.212 248 G HA2 -0.177 3.784 3.960 0.001 0.000 0.255 248 G HA3 -0.177 3.784 3.960 0.001 0.000 0.255 248 G C -0.269 174.670 174.900 0.065 0.000 1.062 248 G CA -0.344 44.791 45.100 0.058 0.000 0.815 248 G HN 0.303 nan 8.290 nan 0.000 0.497 249 V N 0.596 120.564 119.914 0.091 0.000 2.383 249 V HA 0.660 4.781 4.120 0.001 0.000 0.275 249 V C 1.330 177.531 176.094 0.178 0.000 1.036 249 V CA -0.042 62.317 62.300 0.098 0.000 0.889 249 V CB 1.521 33.385 31.823 0.069 0.000 0.985 249 V HN 0.811 nan 8.190 nan 0.000 0.459 250 G N 5.090 113.953 108.800 0.105 0.000 2.334 250 G HA2 0.372 4.333 3.960 0.001 0.000 0.261 250 G HA3 0.372 4.333 3.960 0.001 0.000 0.261 250 G C -0.705 174.275 174.900 0.133 0.000 1.257 250 G CA 0.159 45.303 45.100 0.073 0.000 0.935 250 G HN 0.858 nan 8.290 nan 0.000 0.480 251 Y N -0.202 120.109 120.300 0.018 0.000 2.669 251 Y HA 0.821 5.372 4.550 0.001 0.000 0.335 251 Y C -0.333 175.593 175.900 0.045 0.000 1.116 251 Y CA -1.929 56.192 58.100 0.034 0.000 1.081 251 Y CB 1.797 40.289 38.460 0.053 0.000 1.297 251 Y HN 0.438 nan 8.280 nan 0.000 0.484 252 S N 2.062 117.842 115.700 0.134 0.000 2.609 252 S HA 0.367 4.837 4.470 0.001 0.000 0.250 252 S C -2.094 172.662 174.600 0.260 0.000 1.112 252 S CA -0.562 57.670 58.200 0.052 0.000 1.102 252 S CB 0.250 63.475 63.200 0.042 0.000 1.124 252 S HN 0.788 nan 8.310 nan 0.000 0.460 253 L N 6.609 128.023 121.223 0.319 0.000 2.385 253 L HA 0.504 4.845 4.340 0.001 0.000 0.281 253 L C -0.827 176.181 176.870 0.230 0.000 1.106 253 L CA 0.154 55.187 54.840 0.321 0.000 0.856 253 L CB 0.120 42.384 42.059 0.341 0.000 1.186 253 L HN 0.628 nan 8.230 nan 0.000 0.453 254 L N 5.638 127.052 121.223 0.317 0.000 2.278 254 L HA 0.323 4.664 4.340 0.001 0.000 0.287 254 L C 0.742 177.791 176.870 0.299 0.000 1.072 254 L CA -0.469 54.598 54.840 0.378 0.000 0.819 254 L CB 0.727 43.226 42.059 0.732 0.000 1.176 254 L HN 0.890 nan 8.230 nan 0.000 0.435 255 S N 2.297 117.817 115.700 -0.300 0.000 3.947 255 S HA -0.154 4.317 4.470 0.001 0.000 0.616 255 S C -0.572 173.914 174.600 -0.191 0.000 0.658 255 S CA -0.091 57.752 58.200 -0.594 0.000 1.393 255 S CB -0.674 62.540 63.200 0.024 0.000 0.805 255 S HN 0.870 nan 8.310 nan 0.000 0.829 256 D N 4.091 124.300 120.400 -0.319 0.000 2.458 256 D HA 0.470 5.111 4.640 0.001 0.000 0.258 256 D C -1.256 174.792 176.300 -0.419 0.000 1.134 256 D CA -1.931 51.881 54.000 -0.312 0.000 0.915 256 D CB 1.143 41.854 40.800 -0.148 0.000 1.028 256 D HN 0.274 nan 8.370 nan 0.000 0.508 257 P HA 0.064 nan 4.420 nan 0.000 0.258 257 P C 0.652 177.628 177.300 -0.539 0.000 1.416 257 P CA 0.095 62.904 63.100 -0.485 0.000 0.927 257 P CB 0.183 31.615 31.700 -0.447 0.000 1.444 258 E N 0.454 120.285 120.200 -0.616 0.000 2.130 258 E HA -0.222 4.129 4.350 0.001 0.000 0.196 258 E C 1.492 177.959 176.600 -0.222 0.000 0.998 258 E CA 1.160 57.322 56.400 -0.396 0.000 0.806 258 E CB -0.576 28.983 29.700 -0.234 0.000 0.738 258 E HN 0.112 nan 8.360 nan 0.000 0.459 259 E N 0.808 120.893 120.200 -0.192 0.000 2.046 259 E HA -0.102 4.249 4.350 0.001 0.000 0.190 259 E C 2.477 179.001 176.600 -0.126 0.000 0.982 259 E CA 1.327 57.655 56.400 -0.121 0.000 0.800 259 E CB -0.239 29.404 29.700 -0.094 0.000 0.756 259 E HN 0.266 nan 8.360 nan 0.000 0.449 260 V N 1.650 121.467 119.914 -0.163 0.000 2.392 260 V HA -0.208 3.913 4.120 0.001 0.000 0.249 260 V C 2.217 178.201 176.094 -0.185 0.000 1.059 260 V CA 1.299 63.508 62.300 -0.151 0.000 1.051 260 V CB -0.498 31.229 31.823 -0.160 0.000 0.658 260 V HN 0.202 nan 8.190 nan 0.000 0.455 261 L N -0.132 120.920 121.223 -0.285 0.000 2.645 261 L HA 0.256 4.597 4.340 0.001 0.000 0.234 261 L C 0.569 177.341 176.870 -0.163 0.000 1.165 261 L CA 0.395 55.014 54.840 -0.369 0.000 0.944 261 L CB -0.070 41.528 42.059 -0.768 0.000 1.149 261 L HN 0.261 nan 8.230 nan 0.000 0.446 262 D N -0.021 120.334 120.400 -0.076 0.000 3.279 262 D HA 0.016 4.657 4.640 0.001 0.000 0.336 262 D C 0.132 176.439 176.300 0.012 0.000 1.512 262 D CA -0.073 53.933 54.000 0.010 0.000 0.754 262 D CB 0.507 41.322 40.800 0.025 0.000 1.278 262 D HN 0.022 nan 8.370 nan 0.000 0.553 263 T N 0.753 115.314 114.554 0.012 0.000 2.902 263 T HA 0.353 4.704 4.350 0.001 0.000 0.301 263 T C -1.884 172.842 174.700 0.044 0.000 1.012 263 T CA -1.015 61.099 62.100 0.023 0.000 1.151 263 T CB 1.007 69.898 68.868 0.038 0.000 0.946 263 T HN 0.075 nan 8.240 nan 0.000 0.542 264 P HA 0.320 nan 4.420 nan 0.000 0.271 264 P C -0.719 176.612 177.300 0.051 0.000 1.216 264 P CA -0.558 62.565 63.100 0.037 0.000 0.771 264 P CB 0.563 32.278 31.700 0.025 0.000 0.864 265 A N 3.250 126.102 122.820 0.052 0.000 2.527 265 A HA 0.283 4.604 4.320 0.001 0.000 0.313 265 A C 0.333 177.945 177.584 0.046 0.000 1.410 265 A CA -0.370 51.702 52.037 0.058 0.000 1.060 265 A CB -0.583 18.450 19.000 0.056 0.000 1.137 265 A HN 0.590 nan 8.150 nan 0.000 0.542 266 D N 1.628 122.057 120.400 0.049 0.000 2.895 266 D HA 0.308 4.948 4.640 0.001 0.000 0.350 266 D C 0.803 177.129 176.300 0.043 0.000 1.389 266 D CA 0.176 54.200 54.000 0.039 0.000 0.812 266 D CB -0.396 40.423 40.800 0.031 0.000 1.164 266 D HN 1.013 nan 8.370 nan 0.000 0.455 267 G N 0.536 109.365 108.800 0.050 0.000 2.168 267 G HA2 -0.323 3.638 3.960 0.001 0.000 0.263 267 G HA3 -0.323 3.638 3.960 0.001 0.000 0.263 267 G C 0.018 174.958 174.900 0.067 0.000 0.977 267 G CA 0.580 45.711 45.100 0.051 0.000 0.659 267 G HN 0.677 nan 8.290 nan 0.000 0.533 268 Q N -0.949 118.901 119.800 0.083 0.000 2.372 268 Q HA 0.655 4.996 4.340 0.001 0.000 0.273 268 Q C -1.564 174.536 176.000 0.167 0.000 1.078 268 Q CA -1.221 54.643 55.803 0.101 0.000 0.806 268 Q CB 1.469 30.243 28.738 0.059 0.000 1.332 268 Q HN 0.385 nan 8.270 nan 0.000 0.435 269 F N 3.819 123.779 119.950 0.017 0.000 2.388 269 F HA 0.498 5.026 4.527 0.001 0.000 0.358 269 F C -1.056 174.753 175.800 0.015 0.000 1.122 269 F CA -0.736 57.272 58.000 0.012 0.000 1.056 269 F CB 0.871 39.879 39.000 0.012 0.000 1.155 269 F HN 0.474 nan 8.300 nan 0.000 0.461 270 R N 7.511 127.740 120.500 -0.452 0.000 2.233 270 R HA 0.249 4.590 4.340 0.001 0.000 0.334 270 R C 1.245 177.033 176.300 -0.853 0.000 1.037 270 R CA -0.410 55.391 56.100 -0.498 0.000 0.920 270 R CB 1.236 31.423 30.300 -0.189 0.000 1.137 270 R HN 0.936 nan 8.270 nan 0.000 0.492 271 M N 2.403 121.336 119.600 -1.111 0.000 2.067 271 M HA -0.106 4.375 4.480 0.001 0.000 0.260 271 M C -0.368 175.586 176.300 -0.576 0.000 1.069 271 M CA 1.852 56.580 55.300 -0.953 0.000 1.117 271 M CB 0.268 32.412 32.600 -0.760 0.000 1.334 271 M HN 0.402 nan 8.290 nan 0.000 0.407 272 Y N -0.238 119.952 120.300 -0.184 0.000 2.453 272 Y HA 0.677 5.228 4.550 0.001 0.000 0.326 272 Y C 0.129 175.962 175.900 -0.113 0.000 1.186 272 Y CA -0.737 57.302 58.100 -0.100 0.000 1.200 272 Y CB 1.050 39.478 38.460 -0.052 0.000 1.247 272 Y HN 0.204 nan 8.280 nan 0.000 0.482 273 A N 0.201 123.065 122.820 0.072 0.000 2.525 273 A HA 0.774 5.095 4.320 0.001 0.000 0.291 273 A C -0.147 177.431 177.584 -0.010 0.000 1.268 273 A CA -0.486 51.551 52.037 -0.001 0.000 0.712 273 A CB 0.183 19.156 19.000 -0.045 0.000 1.320 273 A HN 0.926 nan 8.150 nan 0.000 0.456 274 G N -1.277 107.501 108.800 -0.037 0.000 2.491 274 G HA2 0.548 4.509 3.960 0.001 0.000 0.238 274 G HA3 0.548 4.509 3.960 0.001 0.000 0.238 274 G C 0.268 175.123 174.900 -0.075 0.000 1.277 274 G CA 0.726 45.796 45.100 -0.049 0.000 0.851 274 G HN 1.715 nan 8.290 nan 0.000 0.573 275 G N -0.760 107.994 108.800 -0.077 0.000 2.619 275 G HA2 0.509 4.470 3.960 0.001 0.000 0.305 275 G HA3 0.509 4.470 3.960 0.001 0.000 0.305 275 G C -0.610 174.229 174.900 -0.102 0.000 1.330 275 G CA -0.516 44.514 45.100 -0.116 0.000 0.789 275 G HN 0.658 nan 8.290 nan 0.000 0.487 276 T N 1.858 116.319 114.554 -0.155 0.000 2.817 276 T HA 0.416 4.767 4.350 0.001 0.000 0.295 276 T C 1.036 175.738 174.700 0.004 0.000 0.958 276 T CA 0.625 62.674 62.100 -0.085 0.000 1.157 276 T CB 0.179 68.947 68.868 -0.167 0.000 0.898 276 T HN 0.883 nan 8.240 nan 0.000 0.536 277 T N 2.325 116.859 114.554 -0.034 0.000 2.926 277 T HA 0.105 4.456 4.350 0.001 0.000 0.307 277 T C 1.416 176.043 174.700 -0.122 0.000 1.059 277 T CA -0.662 61.396 62.100 -0.069 0.000 1.122 277 T CB 0.828 69.648 68.868 -0.080 0.000 0.972 277 T HN 0.616 nan 8.240 nan 0.000 0.545 278 Q N 0.677 120.343 119.800 -0.224 0.000 2.152 278 Q HA -0.164 4.177 4.340 0.001 0.000 0.206 278 Q C 2.225 177.981 176.000 -0.407 0.000 0.985 278 Q CA 1.491 56.992 55.803 -0.503 0.000 0.863 278 Q CB -0.060 28.361 28.738 -0.527 0.000 0.904 278 Q HN 0.697 nan 8.270 nan 0.000 0.422 279 E N 1.044 121.111 120.200 -0.222 0.000 2.085 279 E HA -0.195 4.156 4.350 0.001 0.000 0.194 279 E C 1.769 178.295 176.600 -0.124 0.000 0.994 279 E CA 1.058 57.370 56.400 -0.148 0.000 0.801 279 E CB -0.073 29.566 29.700 -0.101 0.000 0.743 279 E HN 0.479 nan 8.360 nan 0.000 0.453 280 E N -0.093 120.045 120.200 -0.103 0.000 2.110 280 E HA -0.184 4.167 4.350 0.001 0.000 0.193 280 E C 1.983 178.563 176.600 -0.033 0.000 0.988 280 E CA 0.972 57.338 56.400 -0.057 0.000 0.804 280 E CB -0.098 29.587 29.700 -0.025 0.000 0.745 280 E HN 0.078 nan 8.360 nan 0.000 0.458 281 M N 1.014 120.575 119.600 -0.066 0.000 2.156 281 M HA -0.106 4.375 4.480 0.001 0.000 0.264 281 M C 1.701 177.993 176.300 -0.012 0.000 1.067 281 M CA 1.668 56.962 55.300 -0.010 0.000 1.131 281 M CB 0.146 32.646 32.600 -0.167 0.000 1.368 281 M HN -0.175 nan 8.290 nan 0.000 0.416 282 K N -0.749 119.597 120.400 -0.090 0.000 2.148 282 K HA -0.166 4.154 4.320 0.001 0.000 0.204 282 K C 1.450 178.007 176.600 -0.072 0.000 1.050 282 K CA 1.571 57.853 56.287 -0.009 0.000 0.942 282 K CB -0.275 32.216 32.500 -0.015 0.000 0.724 282 K HN 0.370 nan 8.250 nan 0.000 0.446 283 D N 0.304 120.643 120.400 -0.101 0.000 2.348 283 D HA 0.052 4.693 4.640 0.001 0.000 0.211 283 D C 1.627 177.815 176.300 -0.186 0.000 0.998 283 D CA 0.517 54.444 54.000 -0.121 0.000 0.873 283 D CB 0.203 40.949 40.800 -0.089 0.000 0.925 283 D HN 0.137 nan 8.370 nan 0.000 0.524 284 A N 1.221 123.903 122.820 -0.229 0.000 1.940 284 A HA -0.164 4.157 4.320 0.001 0.000 0.221 284 A C -0.122 177.071 177.584 -0.651 0.000 1.190 284 A CA 1.542 53.363 52.037 -0.360 0.000 0.647 284 A CB -1.683 17.121 19.000 -0.326 0.000 0.821 284 A HN 0.302 nan 8.150 nan 0.000 0.457 285 P HA -0.100 nan 4.420 nan 0.000 0.219 285 P C 0.558 177.712 177.300 -0.243 0.000 1.146 285 P CA 1.296 63.839 63.100 -0.928 0.000 0.808 285 P CB -0.230 30.976 31.700 -0.824 0.000 0.779 286 N N -0.794 117.798 118.700 -0.180 0.000 2.571 286 N HA 0.022 4.763 4.740 0.001 0.000 0.189 286 N C 0.587 176.084 175.510 -0.021 0.000 1.154 286 N CA 0.207 53.218 53.050 -0.066 0.000 0.907 286 N CB -0.640 37.800 38.487 -0.079 0.000 0.977 286 N HN 0.107 nan 8.380 nan 0.000 0.449 287 A N -0.158 122.658 122.820 -0.007 0.000 2.366 287 A HA 0.192 4.513 4.320 0.001 0.000 0.249 287 A C 1.350 178.824 177.584 -0.182 0.000 1.084 287 A CA -0.344 51.656 52.037 -0.063 0.000 0.794 287 A CB 0.210 19.191 19.000 -0.032 0.000 1.034 287 A HN 0.212 nan 8.150 nan 0.000 0.491 288 L N 0.260 121.380 121.223 -0.170 0.000 2.042 288 L HA -0.099 4.242 4.340 0.001 0.000 0.210 288 L C 1.178 177.844 176.870 -0.341 0.000 1.076 288 L CA 1.716 56.448 54.840 -0.180 0.000 0.749 288 L CB -0.373 41.622 42.059 -0.107 0.000 0.893 288 L HN 0.875 nan 8.230 nan 0.000 0.432 289 N N -2.719 115.726 118.700 -0.425 0.000 3.339 289 N HA 0.243 4.984 4.740 0.001 0.000 0.275 289 N C -1.496 173.887 175.510 -0.211 0.000 1.514 289 N CA -0.439 52.341 53.050 -0.450 0.000 0.879 289 N CB 1.448 39.832 38.487 -0.172 0.000 1.557 289 N HN -0.281 nan 8.380 nan 0.000 0.524 290 T N 0.170 114.740 114.554 0.027 0.000 2.928 290 T HA 0.527 4.877 4.350 0.001 0.000 0.296 290 T C -1.101 173.666 174.700 0.111 0.000 1.000 290 T CA -0.387 61.828 62.100 0.191 0.000 0.989 290 T CB 1.368 70.493 68.868 0.429 0.000 1.005 290 T HN 0.212 nan 8.240 nan 0.000 0.442 291 V N 4.664 124.638 119.914 0.102 0.000 2.398 291 V HA 0.457 4.578 4.120 0.001 0.000 0.286 291 V C -0.295 175.847 176.094 0.080 0.000 1.026 291 V CA -0.836 61.506 62.300 0.070 0.000 0.868 291 V CB 1.372 33.235 31.823 0.067 0.000 0.982 291 V HN 0.723 nan 8.190 nan 0.000 0.443 292 L N 5.921 127.159 121.223 0.026 0.000 2.264 292 L HA 0.385 4.726 4.340 0.001 0.000 0.287 292 L C 1.183 178.029 176.870 -0.040 0.000 1.039 292 L CA -0.356 54.465 54.840 -0.031 0.000 0.829 292 L CB 1.068 43.075 42.059 -0.086 0.000 1.211 292 L HN 0.605 nan 8.230 nan 0.000 0.427 293 L N 2.148 123.346 121.223 -0.042 0.000 2.127 293 L HA -0.137 4.204 4.340 0.001 0.000 0.211 293 L C 0.832 177.634 176.870 -0.114 0.000 1.089 293 L CA 1.478 56.275 54.840 -0.071 0.000 0.757 293 L CB -0.204 41.786 42.059 -0.114 0.000 0.899 293 L HN 0.720 nan 8.230 nan 0.000 0.434 294 Q N -0.468 119.215 119.800 -0.195 0.000 2.965 294 Q HA 0.168 4.508 4.340 0.001 0.000 0.288 294 Q C -1.680 174.088 176.000 -0.385 0.000 0.974 294 Q CA -1.456 54.176 55.803 -0.286 0.000 0.849 294 Q CB 1.323 29.800 28.738 -0.435 0.000 1.280 294 Q HN 0.068 nan 8.270 nan 0.000 0.441 295 P HA -0.204 nan 4.420 nan 0.000 0.216 295 P C 0.508 177.619 177.300 -0.315 0.000 1.153 295 P CA 1.326 64.257 63.100 -0.281 0.000 0.858 295 P CB 0.087 31.595 31.700 -0.320 0.000 0.789 296 W N 0.626 121.845 121.300 -0.135 0.000 2.480 296 W HA -0.116 4.545 4.660 0.001 0.000 0.257 296 W C 2.195 178.690 176.519 -0.040 0.000 1.235 296 W CA 1.299 58.617 57.345 -0.045 0.000 1.218 296 W CB -0.962 28.531 29.460 0.055 0.000 1.131 296 W HN 0.364 nan 8.180 nan 0.000 0.606 297 H N -3.053 116.079 119.070 0.103 0.000 2.767 297 H HA 0.355 4.911 4.556 0.001 0.000 0.260 297 H C 0.652 176.002 175.328 0.037 0.000 1.172 297 H CA -0.168 55.907 56.048 0.045 0.000 1.048 297 H CB -0.460 29.298 29.762 -0.007 0.000 1.697 297 H HN 0.187 nan 8.280 nan 0.000 0.606 298 L N 0.872 122.129 121.223 0.056 0.000 3.168 298 L HA 0.189 4.530 4.340 0.001 0.000 0.277 298 L C 1.562 178.440 176.870 0.013 0.000 1.245 298 L CA -0.061 54.818 54.840 0.064 0.000 1.035 298 L CB 0.912 42.942 42.059 -0.049 0.000 1.399 298 L HN 0.097 nan 8.230 nan 0.000 0.580 299 E N 1.467 121.672 120.200 0.009 0.000 2.048 299 E HA -0.306 4.045 4.350 0.001 0.000 0.202 299 E C 2.099 178.705 176.600 0.011 0.000 1.021 299 E CA 1.879 58.267 56.400 -0.018 0.000 0.825 299 E CB 0.126 29.828 29.700 0.003 0.000 0.756 299 E HN 0.283 nan 8.360 nan 0.000 0.454 300 K N -0.851 119.575 120.400 0.044 0.000 2.103 300 K HA -0.146 4.175 4.320 0.001 0.000 0.207 300 K C 1.988 178.630 176.600 0.071 0.000 1.048 300 K CA 1.819 58.136 56.287 0.050 0.000 0.930 300 K CB -0.159 32.370 32.500 0.047 0.000 0.716 300 K HN 0.143 nan 8.250 nan 0.000 0.444 301 T N 1.018 115.625 114.554 0.089 0.000 2.777 301 T HA -0.132 4.219 4.350 0.001 0.000 0.266 301 T C 1.676 176.407 174.700 0.051 0.000 1.040 301 T CA 1.333 63.503 62.100 0.117 0.000 1.141 301 T CB -0.097 68.843 68.868 0.119 0.000 0.868 301 T HN 0.325 nan 8.240 nan 0.000 0.444 302 K N 1.319 121.722 120.400 0.005 0.000 2.032 302 K HA -0.172 4.149 4.320 0.001 0.000 0.209 302 K C 2.408 178.993 176.600 -0.026 0.000 1.048 302 K CA 1.461 57.731 56.287 -0.028 0.000 0.927 302 K CB -0.149 32.314 32.500 -0.062 0.000 0.712 302 K HN 0.176 nan 8.250 nan 0.000 0.441 303 K N -0.215 120.183 120.400 -0.002 0.000 2.057 303 K HA -0.182 4.139 4.320 0.001 0.000 0.207 303 K C 2.113 178.714 176.600 0.002 0.000 1.049 303 K CA 1.440 57.728 56.287 0.001 0.000 0.931 303 K CB -0.235 32.278 32.500 0.021 0.000 0.714 303 K HN 0.158 nan 8.250 nan 0.000 0.440 304 F N 1.175 121.047 119.950 -0.130 0.000 2.146 304 F HA -0.159 4.369 4.527 0.001 0.000 0.298 304 F C 1.811 177.414 175.800 -0.329 0.000 1.096 304 F CA 0.992 58.871 58.000 -0.202 0.000 1.275 304 F CB -0.252 38.613 39.000 -0.225 0.000 1.008 304 F HN -0.220 nan 8.300 nan 0.000 0.480 305 V N 0.568 120.231 119.914 -0.419 0.000 2.261 305 V HA -0.285 3.836 4.120 0.001 0.000 0.246 305 V C 2.286 178.241 176.094 -0.233 0.000 1.047 305 V CA 2.362 64.354 62.300 -0.513 0.000 1.015 305 V CB -0.740 30.965 31.823 -0.197 0.000 0.642 305 V HN 0.324 nan 8.190 nan 0.000 0.446 306 E N 0.254 120.384 120.200 -0.117 0.000 2.047 306 E HA -0.128 4.223 4.350 0.001 0.000 0.191 306 E C 2.316 178.863 176.600 -0.088 0.000 0.987 306 E CA 1.261 57.633 56.400 -0.048 0.000 0.799 306 E CB -0.544 29.141 29.700 -0.026 0.000 0.752 306 E HN 0.629 nan 8.360 nan 0.000 0.449 307 G N 0.500 109.222 108.800 -0.130 0.000 2.453 307 G HA2 -0.254 3.706 3.960 0.001 0.000 0.215 307 G HA3 -0.254 3.706 3.960 0.001 0.000 0.215 307 G C 1.638 176.436 174.900 -0.171 0.000 1.201 307 G CA 1.473 46.501 45.100 -0.120 0.000 0.784 307 G HN 0.192 nan 8.290 nan 0.000 0.545 308 T N -0.442 113.894 114.554 -0.362 0.000 2.901 308 T HA -0.023 4.328 4.350 0.001 0.000 0.252 308 T C 1.961 176.568 174.700 -0.156 0.000 1.035 308 T CA 0.751 62.642 62.100 -0.348 0.000 1.142 308 T CB -0.149 68.292 68.868 -0.712 0.000 0.869 308 T HN 0.376 nan 8.240 nan 0.000 0.442 309 W N 1.944 122.926 121.300 -0.530 0.000 2.595 309 W HA 0.251 4.912 4.660 0.001 0.000 0.257 309 W C 0.699 176.962 176.519 -0.426 0.000 1.267 309 W CA -0.184 56.843 57.345 -0.529 0.000 1.300 309 W CB -0.419 28.591 29.460 -0.751 0.000 1.120 309 W HN 0.182 nan 8.180 nan 0.000 0.618 310 K N -0.774 119.600 120.400 -0.044 0.000 3.209 310 K HA -0.266 4.054 4.320 0.001 0.000 0.289 310 K C -0.460 176.226 176.600 0.144 0.000 1.191 310 K CA 0.897 57.197 56.287 0.023 0.000 0.851 310 K CB -2.675 29.841 32.500 0.025 0.000 1.242 310 K HN 0.441 nan 8.250 nan 0.000 0.480 311 H N 1.061 120.195 119.070 0.107 0.000 2.646 311 H HA 0.160 4.717 4.556 0.002 0.000 0.325 311 H C 0.267 175.626 175.328 0.051 0.000 1.075 311 H CA -0.474 55.634 56.048 0.100 0.000 1.421 311 H CB 0.624 30.496 29.762 0.184 0.000 1.461 311 H HN 0.069 nan 8.280 nan 0.000 0.525 312 E N 3.507 123.793 120.200 0.144 0.000 1.852 312 E HA 0.064 4.415 4.350 0.001 0.000 0.276 312 E C -0.344 176.282 176.600 0.043 0.000 1.163 312 E CA -0.413 56.025 56.400 0.064 0.000 1.117 312 E CB 0.310 30.029 29.700 0.031 0.000 1.124 312 E HN 0.306 nan 8.360 nan 0.000 0.458 313 V N 4.208 124.155 119.914 0.055 0.000 2.509 313 V HA -0.025 4.096 4.120 0.001 0.000 0.297 313 V C -1.791 174.293 176.094 -0.016 0.000 1.014 313 V CA -0.994 61.322 62.300 0.026 0.000 1.127 313 V CB -0.336 31.501 31.823 0.023 0.000 0.925 313 V HN 0.445 nan 8.190 nan 0.000 0.480 314 P HA 0.142 nan 4.420 nan 0.000 0.271 314 P C -0.295 176.964 177.300 -0.068 0.000 1.216 314 P CA -0.416 62.654 63.100 -0.050 0.000 0.776 314 P CB 0.434 32.097 31.700 -0.061 0.000 0.881 315 K N 3.584 123.939 120.400 -0.075 0.000 2.111 315 K HA 0.226 4.547 4.320 0.001 0.000 0.249 315 K C -0.779 175.751 176.600 -0.117 0.000 1.157 315 K CA -0.068 56.158 56.287 -0.101 0.000 1.048 315 K CB -0.810 31.637 32.500 -0.088 0.000 1.498 315 K HN 0.443 nan 8.250 nan 0.000 0.344 316 L N 2.761 123.910 121.223 -0.123 0.000 2.334 316 L HA 0.369 4.710 4.340 0.001 0.000 0.276 316 L C -0.102 176.644 176.870 -0.207 0.000 1.014 316 L CA -1.103 53.654 54.840 -0.138 0.000 0.815 316 L CB 1.920 43.952 42.059 -0.045 0.000 1.268 316 L HN 0.525 nan 8.230 nan 0.000 0.428 317 N N 1.248 119.715 118.700 -0.388 0.000 2.463 317 N HA 0.359 5.100 4.740 0.001 0.000 0.270 317 N C -0.192 175.161 175.510 -0.262 0.000 1.205 317 N CA -0.702 52.009 53.050 -0.564 0.000 0.974 317 N CB 1.414 38.879 38.487 -1.703 0.000 1.197 317 N HN 0.490 nan 8.380 nan 0.000 0.504 318 I N 2.525 123.046 120.570 -0.081 0.000 2.741 318 I HA 0.006 4.176 4.170 0.001 0.000 0.288 318 I C -1.797 174.393 176.117 0.121 0.000 1.192 318 I CA -1.273 60.058 61.300 0.052 0.000 1.426 318 I CB 0.654 38.746 38.000 0.152 0.000 1.367 318 I HN 0.444 nan 8.210 nan 0.000 0.563 319 P HA 0.035 nan 4.420 nan 0.000 0.245 319 P C -0.886 176.348 177.300 -0.110 0.000 1.670 319 P CA 0.539 63.553 63.100 -0.143 0.000 1.146 319 P CB -0.143 31.165 31.700 -0.653 0.000 1.954 320 M N 1.537 121.186 119.600 0.083 0.000 2.321 320 M HA 0.546 5.027 4.480 0.001 0.000 0.315 320 M C 0.492 176.685 176.300 -0.179 0.000 1.052 320 M CA 0.109 55.363 55.300 -0.077 0.000 0.936 320 M CB 2.556 35.151 32.600 -0.009 0.000 1.639 320 M HN 0.386 nan 8.290 nan 0.000 0.433 321 G N 1.484 110.035 108.800 -0.415 0.000 2.814 321 G HA2 -0.194 3.767 3.960 0.001 0.000 0.677 321 G HA3 -0.194 3.767 3.960 0.001 0.000 0.677 321 G C -0.166 174.639 174.900 -0.158 0.000 1.429 321 G CA -0.353 44.476 45.100 -0.452 0.000 0.868 321 G HN 0.745 nan 8.290 nan 0.000 0.553 322 L N 0.498 121.724 121.223 0.005 0.000 1.934 322 L HA -0.051 4.290 4.340 0.001 0.000 0.227 322 L C 2.646 179.615 176.870 0.164 0.000 1.084 322 L CA 3.269 58.202 54.840 0.155 0.000 0.790 322 L CB -0.991 41.160 42.059 0.154 0.000 0.896 322 L HN 0.763 nan 8.230 nan 0.000 0.437 323 D N -1.085 119.385 120.400 0.115 0.000 2.177 323 D HA -0.269 4.372 4.640 0.001 0.000 0.189 323 D C 1.975 178.470 176.300 0.325 0.000 1.002 323 D CA 1.944 56.054 54.000 0.183 0.000 0.845 323 D CB -0.550 40.339 40.800 0.149 0.000 0.960 323 D HN 0.473 nan 8.370 nan 0.000 0.447 324 W N 1.004 122.324 121.300 0.034 0.000 2.350 324 W HA -0.076 4.585 4.660 0.001 0.000 0.289 324 W C 2.587 179.107 176.519 0.003 0.000 1.215 324 W CA 1.012 58.369 57.345 0.020 0.000 1.236 324 W CB -1.513 27.946 29.460 -0.002 0.000 1.130 324 W HN 0.004 nan 8.180 nan 0.000 0.541 325 T N -0.069 114.570 114.554 0.142 0.000 2.821 325 T HA -0.150 4.201 4.350 0.001 0.000 0.267 325 T C 1.240 175.976 174.700 0.060 0.000 1.046 325 T CA 1.682 63.735 62.100 -0.079 0.000 1.139 325 T CB -0.325 68.238 68.868 -0.509 0.000 0.871 325 T HN -0.018 nan 8.240 nan 0.000 0.454 326 D N 1.451 121.957 120.400 0.176 0.000 2.092 326 D HA -0.091 4.550 4.640 0.001 0.000 0.193 326 D C 2.230 178.629 176.300 0.165 0.000 0.994 326 D CA 1.116 55.247 54.000 0.218 0.000 0.828 326 D CB -0.311 40.615 40.800 0.210 0.000 0.963 326 D HN 0.513 nan 8.370 nan 0.000 0.450 327 E N -0.184 120.117 120.200 0.168 0.000 2.097 327 E HA -0.198 4.153 4.350 0.001 0.000 0.196 327 E C 2.039 178.696 176.600 0.093 0.000 1.000 327 E CA 0.665 57.134 56.400 0.115 0.000 0.804 327 E CB -0.295 29.468 29.700 0.106 0.000 0.740 327 E HN 0.272 nan 8.360 nan 0.000 0.454 328 F N 1.630 121.571 119.950 -0.015 0.000 2.069 328 F HA -0.215 4.312 4.527 0.001 0.000 0.298 328 F C 2.015 177.791 175.800 -0.039 0.000 1.113 328 F CA 1.425 59.398 58.000 -0.046 0.000 1.214 328 F CB -0.221 38.737 39.000 -0.070 0.000 0.978 328 F HN -0.098 nan 8.300 nan 0.000 0.474 329 L N -0.188 121.106 121.223 0.117 0.000 2.012 329 L HA -0.299 4.042 4.340 0.001 0.000 0.210 329 L C 2.623 179.449 176.870 -0.073 0.000 1.073 329 L CA 1.937 56.782 54.840 0.008 0.000 0.748 329 L CB -0.754 41.386 42.059 0.134 0.000 0.891 329 L HN 0.290 nan 8.230 nan 0.000 0.431 330 M N -0.620 118.971 119.600 -0.015 0.000 2.108 330 M HA -0.236 4.245 4.480 0.001 0.000 0.261 330 M C 2.337 178.592 176.300 -0.075 0.000 1.066 330 M CA 1.623 56.909 55.300 -0.023 0.000 1.107 330 M CB -0.327 32.280 32.600 0.013 0.000 1.356 330 M HN 0.032 nan 8.290 nan 0.000 0.406 331 K N 0.559 120.889 120.400 -0.117 0.000 2.002 331 K HA -0.080 4.241 4.320 0.001 0.000 0.209 331 K C 1.621 178.104 176.600 -0.195 0.000 1.048 331 K CA 1.356 57.556 56.287 -0.145 0.000 0.930 331 K CB -0.627 31.776 32.500 -0.163 0.000 0.714 331 K HN 0.128 nan 8.250 nan 0.000 0.438 332 V N 0.506 120.226 119.914 -0.322 0.000 2.332 332 V HA -0.267 3.853 4.120 0.001 0.000 0.248 332 V C 2.402 178.398 176.094 -0.164 0.000 1.055 332 V CA 2.156 64.269 62.300 -0.310 0.000 1.038 332 V CB -0.837 30.703 31.823 -0.473 0.000 0.651 332 V HN 0.513 nan 8.190 nan 0.000 0.450 333 S N -0.526 115.097 115.700 -0.127 0.000 2.365 333 S HA -0.322 4.149 4.470 0.001 0.000 0.225 333 S C 2.122 176.688 174.600 -0.057 0.000 1.039 333 S CA 2.319 60.479 58.200 -0.067 0.000 1.033 333 S CB -0.341 62.835 63.200 -0.040 0.000 0.887 333 S HN 0.759 nan 8.310 nan 0.000 0.447 334 E N 0.215 120.377 120.200 -0.063 0.000 2.051 334 E HA -0.147 4.204 4.350 0.001 0.000 0.192 334 E C 2.082 178.650 176.600 -0.053 0.000 0.991 334 E CA 1.676 58.046 56.400 -0.050 0.000 0.799 334 E CB -0.327 29.344 29.700 -0.049 0.000 0.748 334 E HN 0.713 nan 8.360 nan 0.000 0.449 335 I N 1.089 121.616 120.570 -0.072 0.000 2.226 335 I HA -0.230 3.941 4.170 0.001 0.000 0.245 335 I C 2.574 178.657 176.117 -0.057 0.000 1.100 335 I CA 1.451 62.709 61.300 -0.069 0.000 1.374 335 I CB -0.280 37.666 38.000 -0.090 0.000 1.057 335 I HN 0.185 nan 8.210 nan 0.000 0.413 336 S N 0.002 115.669 115.700 -0.055 0.000 2.524 336 S HA 0.222 4.693 4.470 0.001 0.000 0.216 336 S C 1.740 176.325 174.600 -0.025 0.000 0.987 336 S CA 0.354 58.533 58.200 -0.035 0.000 0.909 336 S CB 0.471 63.655 63.200 -0.027 0.000 0.781 336 S HN 0.586 nan 8.310 nan 0.000 0.521 337 G N 1.020 109.803 108.800 -0.028 0.000 2.155 337 G HA2 -0.218 3.742 3.960 0.001 0.000 0.257 337 G HA3 -0.218 3.742 3.960 0.001 0.000 0.257 337 G C -0.205 174.687 174.900 -0.013 0.000 0.983 337 G CA 0.127 45.216 45.100 -0.019 0.000 0.676 337 G HN 0.521 nan 8.290 nan 0.000 0.528 338 Q N 0.800 120.592 119.800 -0.014 0.000 2.296 338 Q HA 0.393 4.734 4.340 0.001 0.000 0.257 338 Q C -2.115 173.882 176.000 -0.004 0.000 0.942 338 Q CA -1.994 53.806 55.803 -0.005 0.000 0.939 338 Q CB 1.880 30.619 28.738 0.001 0.000 1.198 338 Q HN 0.389 nan 8.270 nan 0.000 0.429 339 P HA 0.149 nan 4.420 nan 0.000 0.275 339 P C -0.035 177.273 177.300 0.014 0.000 1.227 339 P CA -0.224 62.880 63.100 0.006 0.000 0.781 339 P CB 0.910 32.614 31.700 0.007 0.000 0.906 340 I N 5.394 125.975 120.570 0.020 0.000 2.671 340 I HA 0.003 4.174 4.170 0.001 0.000 0.285 340 I C -1.152 174.985 176.117 0.034 0.000 1.148 340 I CA -1.294 60.028 61.300 0.036 0.000 1.386 340 I CB -0.321 37.711 38.000 0.053 0.000 1.406 340 I HN 0.227 nan 8.210 nan 0.000 0.540 341 P HA -0.017 nan 4.420 nan 0.000 0.268 341 P C 0.444 177.760 177.300 0.027 0.000 1.208 341 P CA -0.206 62.911 63.100 0.029 0.000 0.777 341 P CB 0.986 32.705 31.700 0.032 0.000 0.875 342 A N 2.201 125.032 122.820 0.017 0.000 2.076 342 A HA -0.169 4.151 4.320 0.001 0.000 0.220 342 A C 2.538 180.128 177.584 0.010 0.000 1.160 342 A CA 1.948 53.991 52.037 0.010 0.000 0.653 342 A CB -1.338 17.665 19.000 0.005 0.000 0.801 342 A HN 0.638 nan 8.150 nan 0.000 0.455 343 S N -0.306 115.405 115.700 0.019 0.000 2.351 343 S HA -0.157 4.314 4.470 0.001 0.000 0.220 343 S C 1.905 176.523 174.600 0.030 0.000 1.035 343 S CA 1.718 59.932 58.200 0.022 0.000 1.031 343 S CB -0.432 62.785 63.200 0.029 0.000 0.928 343 S HN 0.535 nan 8.310 nan 0.000 0.433 344 L N 0.576 121.832 121.223 0.055 0.000 2.056 344 L HA -0.066 4.275 4.340 0.001 0.000 0.207 344 L C 2.805 179.693 176.870 0.030 0.000 1.078 344 L CA 1.509 56.409 54.840 0.100 0.000 0.749 344 L CB -1.068 41.090 42.059 0.164 0.000 0.901 344 L HN 0.346 nan 8.230 nan 0.000 0.433 345 T N -0.436 114.124 114.554 0.010 0.000 2.665 345 T HA -0.282 4.069 4.350 0.001 0.000 0.268 345 T C 1.923 176.569 174.700 -0.090 0.000 1.035 345 T CA 1.620 63.697 62.100 -0.038 0.000 1.151 345 T CB -0.153 68.707 68.868 -0.013 0.000 0.862 345 T HN 0.249 nan 8.240 nan 0.000 0.438 346 K N 0.864 121.229 120.400 -0.059 0.000 2.026 346 K HA -0.154 4.167 4.320 0.001 0.000 0.208 346 K C 2.409 178.948 176.600 -0.102 0.000 1.048 346 K CA 1.559 57.807 56.287 -0.065 0.000 0.929 346 K CB -0.158 32.322 32.500 -0.033 0.000 0.713 346 K HN 0.417 nan 8.250 nan 0.000 0.439 347 E N 0.671 120.813 120.200 -0.097 0.000 2.085 347 E HA -0.260 4.090 4.350 0.001 0.000 0.194 347 E C 2.192 178.600 176.600 -0.319 0.000 0.994 347 E CA 1.188 57.520 56.400 -0.113 0.000 0.801 347 E CB -0.015 29.690 29.700 0.008 0.000 0.743 347 E HN 0.241 nan 8.360 nan 0.000 0.453 348 R N -0.243 119.895 120.500 -0.603 0.000 2.073 348 R HA -0.113 4.228 4.340 0.001 0.000 0.234 348 R C 2.403 178.459 176.300 -0.406 0.000 1.134 348 R CA 1.615 57.140 56.100 -0.959 0.000 0.952 348 R CB -0.622 29.151 30.300 -0.879 0.000 0.850 348 R HN 0.243 nan 8.270 nan 0.000 0.433 349 G N 0.615 109.268 108.800 -0.246 0.000 2.440 349 G HA2 -0.279 3.682 3.960 0.001 0.000 0.218 349 G HA3 -0.279 3.682 3.960 0.001 0.000 0.218 349 G C 1.461 176.300 174.900 -0.102 0.000 1.154 349 G CA 0.741 45.760 45.100 -0.136 0.000 0.767 349 G HN 0.334 nan 8.290 nan 0.000 0.552 350 R N -0.633 119.806 120.500 -0.102 0.000 2.073 350 R HA -0.006 4.335 4.340 0.001 0.000 0.234 350 R C 2.487 178.761 176.300 -0.044 0.000 1.134 350 R CA 1.197 57.262 56.100 -0.059 0.000 0.952 350 R CB -0.567 29.705 30.300 -0.047 0.000 0.850 350 R HN 0.380 nan 8.270 nan 0.000 0.433 351 L N 0.898 122.081 121.223 -0.067 0.000 2.012 351 L HA -0.169 4.172 4.340 0.001 0.000 0.210 351 L C 2.022 178.897 176.870 0.008 0.000 1.073 351 L CA 1.671 56.503 54.840 -0.014 0.000 0.748 351 L CB -0.463 41.589 42.059 -0.013 0.000 0.891 351 L HN -0.073 nan 8.230 nan 0.000 0.431 352 V N 0.152 120.048 119.914 -0.029 0.000 2.332 352 V HA -0.347 3.773 4.120 0.001 0.000 0.248 352 V C 2.400 178.495 176.094 0.002 0.000 1.055 352 V CA 2.092 64.387 62.300 -0.009 0.000 1.038 352 V CB -0.965 30.837 31.823 -0.036 0.000 0.651 352 V HN 0.618 nan 8.190 nan 0.000 0.450 353 D N -0.514 119.881 120.400 -0.008 0.000 2.123 353 D HA -0.216 4.425 4.640 0.001 0.000 0.196 353 D C 2.150 178.465 176.300 0.025 0.000 0.992 353 D CA 1.655 55.657 54.000 0.004 0.000 0.833 353 D CB -0.135 40.661 40.800 -0.005 0.000 0.954 353 D HN 0.392 nan 8.370 nan 0.000 0.455 354 M N -0.760 118.857 119.600 0.028 0.000 2.175 354 M HA -0.100 4.381 4.480 0.001 0.000 0.264 354 M C 2.269 178.604 176.300 0.059 0.000 1.063 354 M CA 1.093 56.418 55.300 0.042 0.000 1.119 354 M CB -0.171 32.455 32.600 0.044 0.000 1.377 354 M HN 0.157 nan 8.290 nan 0.000 0.415 355 M N -0.276 119.361 119.600 0.062 0.000 2.086 355 M HA -0.167 4.313 4.480 0.001 0.000 0.261 355 M C 2.359 178.716 176.300 0.095 0.000 1.067 355 M CA 2.223 57.562 55.300 0.064 0.000 1.116 355 M CB -0.913 31.717 32.600 0.051 0.000 1.348 355 M HN 0.413 nan 8.290 nan 0.000 0.407 356 T N -1.953 112.649 114.554 0.080 0.000 2.788 356 T HA -0.143 4.208 4.350 0.001 0.000 0.268 356 T C 1.317 176.149 174.700 0.220 0.000 1.044 356 T CA 1.502 63.677 62.100 0.125 0.000 1.139 356 T CB -0.575 68.317 68.868 0.040 0.000 0.867 356 T HN 0.258 nan 8.240 nan 0.000 0.454 357 D N 1.496 121.965 120.400 0.116 0.000 2.178 357 D HA 0.024 4.665 4.640 0.001 0.000 0.202 357 D C 1.985 178.327 176.300 0.070 0.000 0.974 357 D CA 1.070 55.121 54.000 0.085 0.000 0.841 357 D CB -0.141 40.694 40.800 0.058 0.000 0.953 357 D HN 0.480 nan 8.370 nan 0.000 0.478 358 S N -0.407 115.343 115.700 0.084 0.000 2.523 358 S HA -0.044 4.427 4.470 0.001 0.000 0.217 358 S C 1.649 176.271 174.600 0.038 0.000 0.996 358 S CA -0.451 57.801 58.200 0.085 0.000 0.921 358 S CB -0.036 63.217 63.200 0.089 0.000 0.829 358 S HN 0.465 nan 8.310 nan 0.000 0.495 359 H N 2.578 121.658 119.070 0.017 0.000 2.431 359 H HA -0.148 4.408 4.556 0.001 0.000 0.297 359 H C 1.728 177.055 175.328 -0.002 0.000 1.115 359 H CA 1.901 57.946 56.048 -0.004 0.000 1.277 359 H CB -1.180 28.564 29.762 -0.030 0.000 1.372 359 H HN 0.447 nan 8.280 nan 0.000 0.516 360 T N -1.040 113.028 114.554 -0.811 0.000 2.652 360 T HA -0.229 4.122 4.350 0.001 0.000 0.267 360 T C 1.956 176.446 174.700 -0.350 0.000 1.039 360 T CA 1.544 63.234 62.100 -0.684 0.000 1.153 360 T CB -1.003 67.386 68.868 -0.799 0.000 0.863 360 T HN 0.575 nan 8.240 nan 0.000 0.428 361 W N 1.244 122.475 121.300 -0.115 0.000 2.436 361 W HA 0.318 4.979 4.660 0.001 0.000 0.284 361 W C 2.334 178.859 176.519 0.011 0.000 1.225 361 W CA -0.319 57.004 57.345 -0.037 0.000 1.271 361 W CB -0.418 29.019 29.460 -0.039 0.000 1.114 361 W HN 0.160 nan 8.180 nan 0.000 0.559 362 L N -0.734 120.618 121.223 0.214 0.000 2.005 362 L HA -0.166 4.175 4.340 0.001 0.000 0.207 362 L C 1.683 178.632 176.870 0.132 0.000 1.072 362 L CA 0.869 55.799 54.840 0.150 0.000 0.744 362 L CB -1.383 40.709 42.059 0.054 0.000 0.895 362 L HN -0.005 nan 8.230 nan 0.000 0.433 363 H N 0.973 120.057 119.070 0.022 0.000 3.254 363 H HA -0.053 4.504 4.556 0.001 0.000 0.253 363 H C 0.950 176.323 175.328 0.076 0.000 0.853 363 H CA 1.211 57.274 56.048 0.024 0.000 1.404 363 H CB 0.120 29.918 29.762 0.060 0.000 1.483 363 H HN 0.466 nan 8.280 nan 0.000 0.522 364 G N 5.123 113.791 108.800 -0.220 0.000 2.259 364 G HA2 -0.223 3.738 3.960 0.001 0.000 0.217 364 G HA3 -0.223 3.738 3.960 0.001 0.000 0.217 364 G C 0.042 174.923 174.900 -0.033 0.000 1.001 364 G CA -0.127 44.910 45.100 -0.105 0.000 0.627 364 G HN 0.532 nan 8.290 nan 0.000 0.501 365 K N 1.873 122.273 120.400 -0.001 0.000 2.436 365 K HA 0.271 4.592 4.320 0.001 0.000 0.282 365 K C 0.720 177.183 176.600 -0.228 0.000 1.044 365 K CA 0.180 56.403 56.287 -0.107 0.000 1.028 365 K CB 0.443 32.919 32.500 -0.041 0.000 0.919 365 K HN 0.510 nan 8.250 nan 0.000 0.474 366 R N 2.684 122.986 120.500 -0.329 0.000 2.297 366 R HA 0.392 4.732 4.340 0.001 0.000 0.308 366 R C -0.310 175.714 176.300 -0.461 0.000 1.029 366 R CA -0.307 55.639 56.100 -0.258 0.000 0.929 366 R CB 0.547 30.736 30.300 -0.185 0.000 1.046 366 R HN 0.322 nan 8.270 nan 0.000 0.461 367 F N 0.390 120.335 119.950 -0.009 0.000 2.593 367 F HA 0.650 5.178 4.527 0.001 0.000 0.320 367 F C 0.079 175.899 175.800 0.034 0.000 1.060 367 F CA -0.991 57.034 58.000 0.042 0.000 0.940 367 F CB 1.970 41.000 39.000 0.050 0.000 1.268 367 F HN 0.462 nan 8.300 nan 0.000 0.475 368 A N 2.264 125.290 122.820 0.344 0.000 2.350 368 A HA 0.967 5.288 4.320 0.001 0.000 0.324 368 A C -1.556 176.283 177.584 0.424 0.000 1.118 368 A CA -0.584 51.676 52.037 0.372 0.000 0.783 368 A CB 1.181 20.428 19.000 0.410 0.000 1.236 368 A HN 0.783 nan 8.150 nan 0.000 0.457 369 L N -1.643 119.848 121.223 0.447 0.000 2.568 369 L HA 1.020 5.360 4.340 0.001 0.000 0.257 369 L C -0.961 176.250 176.870 0.568 0.000 1.024 369 L CA -0.736 54.338 54.840 0.388 0.000 0.854 369 L CB 0.838 42.978 42.059 0.134 0.000 1.460 369 L HN 1.077 nan 8.230 nan 0.000 0.409 370 W N -0.496 120.944 121.300 0.232 0.000 3.025 370 W HA 0.970 5.631 4.660 0.001 0.000 0.343 370 W C -0.275 176.445 176.519 0.335 0.000 1.246 370 W CA -0.320 57.176 57.345 0.252 0.000 1.178 370 W CB 0.913 30.504 29.460 0.219 0.000 1.463 370 W HN 1.235 nan 8.180 nan 0.000 0.578 371 G N 0.330 109.429 108.800 0.499 0.000 2.350 371 G HA2 0.170 4.131 3.960 0.001 0.000 0.282 371 G HA3 0.170 4.131 3.960 0.001 0.000 0.282 371 G C -1.604 173.506 174.900 0.350 0.000 1.314 371 G CA -0.874 44.491 45.100 0.441 0.000 0.915 371 G HN 0.638 nan 8.290 nan 0.000 0.499 372 D N 1.073 121.673 120.400 0.333 0.000 2.399 372 D HA 0.314 4.955 4.640 0.001 0.000 0.241 372 D C -1.140 175.219 176.300 0.099 0.000 1.133 372 D CA -0.885 53.220 54.000 0.176 0.000 0.890 372 D CB 1.219 42.137 40.800 0.196 0.000 1.201 372 D HN -0.013 nan 8.370 nan 0.000 0.432 373 P HA -0.207 nan 4.420 nan 0.000 0.216 373 P C 0.881 178.224 177.300 0.072 0.000 1.167 373 P CA 1.433 64.150 63.100 -0.639 0.000 0.933 373 P CB 0.269 31.480 31.700 -0.816 0.000 0.793 374 D N -1.708 118.820 120.400 0.214 0.000 2.092 374 D HA -0.187 4.454 4.640 0.001 0.000 0.193 374 D C 1.869 178.380 176.300 0.352 0.000 0.994 374 D CA 1.116 55.321 54.000 0.342 0.000 0.828 374 D CB -0.809 40.126 40.800 0.226 0.000 0.963 374 D HN 0.090 nan 8.370 nan 0.000 0.450 375 F N 2.385 122.450 119.950 0.192 0.000 2.063 375 F HA -0.273 4.254 4.527 0.001 0.000 0.298 375 F C 2.272 178.182 175.800 0.183 0.000 1.109 375 F CA 1.223 59.320 58.000 0.162 0.000 1.212 375 F CB -0.718 38.369 39.000 0.146 0.000 0.973 375 F HN -0.235 nan 8.300 nan 0.000 0.480 376 V N 1.131 121.034 119.914 -0.018 0.000 2.233 376 V HA -0.403 3.718 4.120 0.001 0.000 0.247 376 V C 2.627 178.764 176.094 0.072 0.000 1.050 376 V CA 2.422 64.698 62.300 -0.040 0.000 1.010 376 V CB -0.804 31.203 31.823 0.307 0.000 0.637 376 V HN 0.580 nan 8.190 nan 0.000 0.444 377 M N 0.262 120.071 119.600 0.348 0.000 2.088 377 M HA -0.222 4.259 4.480 0.001 0.000 0.256 377 M C 2.018 178.408 176.300 0.150 0.000 1.071 377 M CA 2.654 58.103 55.300 0.249 0.000 1.097 377 M CB -0.722 32.116 32.600 0.396 0.000 1.315 377 M HN 0.444 nan 8.290 nan 0.000 0.406 378 G N 0.128 109.058 108.800 0.216 0.000 2.404 378 G HA2 -0.220 3.741 3.960 0.001 0.000 0.215 378 G HA3 -0.220 3.741 3.960 0.001 0.000 0.215 378 G C 1.466 176.240 174.900 -0.211 0.000 1.174 378 G CA 0.752 45.874 45.100 0.037 0.000 0.780 378 G HN 0.497 nan 8.290 nan 0.000 0.537 379 L N 0.441 121.508 121.223 -0.260 0.000 2.043 379 L HA -0.143 4.197 4.340 0.001 0.000 0.212 379 L C 2.997 179.735 176.870 -0.219 0.000 1.075 379 L CA 1.049 55.709 54.840 -0.299 0.000 0.752 379 L CB -0.207 41.517 42.059 -0.558 0.000 0.891 379 L HN 0.149 nan 8.230 nan 0.000 0.432 380 V N -0.069 119.725 119.914 -0.200 0.000 2.261 380 V HA -0.323 3.797 4.120 0.001 0.000 0.246 380 V C 2.523 178.483 176.094 -0.225 0.000 1.047 380 V CA 2.120 64.319 62.300 -0.169 0.000 1.015 380 V CB -0.594 31.157 31.823 -0.120 0.000 0.642 380 V HN 0.413 nan 8.190 nan 0.000 0.446 381 K N 0.212 120.398 120.400 -0.356 0.000 2.044 381 K HA -0.235 4.086 4.320 0.001 0.000 0.210 381 K C 1.948 178.361 176.600 -0.312 0.000 1.049 381 K CA 1.932 57.920 56.287 -0.498 0.000 0.927 381 K CB -0.817 30.952 32.500 -1.219 0.000 0.713 381 K HN 0.330 nan 8.250 nan 0.000 0.443 382 F N 0.482 120.173 119.950 -0.431 0.000 2.134 382 F HA -0.115 4.413 4.527 0.001 0.000 0.299 382 F C 1.696 177.341 175.800 -0.258 0.000 1.097 382 F CA 1.029 58.842 58.000 -0.312 0.000 1.264 382 F CB -0.679 38.158 39.000 -0.271 0.000 1.001 382 F HN 0.034 nan 8.300 nan 0.000 0.479 383 L N 0.159 121.177 121.223 -0.341 0.000 2.042 383 L HA -0.239 4.102 4.340 0.001 0.000 0.210 383 L C 2.443 179.112 176.870 -0.334 0.000 1.076 383 L CA 1.692 56.288 54.840 -0.407 0.000 0.749 383 L CB -1.197 40.694 42.059 -0.280 0.000 0.893 383 L HN 0.172 nan 8.230 nan 0.000 0.432 384 L N -1.174 119.905 121.223 -0.242 0.000 2.046 384 L HA -0.235 4.106 4.340 0.001 0.000 0.208 384 L C 2.381 179.096 176.870 -0.259 0.000 1.077 384 L CA 1.308 56.033 54.840 -0.192 0.000 0.747 384 L CB -0.655 41.340 42.059 -0.108 0.000 0.896 384 L HN 0.338 nan 8.230 nan 0.000 0.432 385 E N 0.229 120.288 120.200 -0.236 0.000 2.204 385 E HA -0.189 4.162 4.350 0.001 0.000 0.195 385 E C 2.180 178.623 176.600 -0.261 0.000 0.990 385 E CA 0.936 57.226 56.400 -0.184 0.000 0.821 385 E CB -0.096 29.568 29.700 -0.059 0.000 0.750 385 E HN 0.519 nan 8.360 nan 0.000 0.477 386 L N -0.629 120.351 121.223 -0.405 0.000 2.492 386 L HA 0.116 4.457 4.340 0.001 0.000 0.223 386 L C 1.342 178.007 176.870 -0.341 0.000 1.132 386 L CA 0.436 55.049 54.840 -0.378 0.000 0.850 386 L CB -0.001 41.746 42.059 -0.520 0.000 0.966 386 L HN 0.290 nan 8.230 nan 0.000 0.454 387 G N -0.464 108.008 108.800 -0.548 0.000 2.142 387 G HA2 -0.218 3.742 3.960 0.001 0.000 0.225 387 G HA3 -0.218 3.742 3.960 0.001 0.000 0.225 387 G C 0.069 174.560 174.900 -0.682 0.000 1.015 387 G CA -0.106 44.394 45.100 -0.999 0.000 0.716 387 G HN 0.306 nan 8.290 nan 0.000 0.508 388 C N -0.195 118.893 119.300 -0.354 0.000 2.345 388 C HA 0.775 5.236 4.460 0.001 0.000 0.370 388 C C 0.477 175.487 174.990 0.033 0.000 1.209 388 C CA -0.702 58.285 59.018 -0.051 0.000 2.133 388 C CB 1.530 29.337 27.740 0.111 0.000 2.293 388 C HN 0.528 nan 8.230 nan 0.000 0.544 389 E N 1.939 122.217 120.200 0.131 0.000 2.186 389 E HA 0.216 4.567 4.350 0.001 0.000 0.255 389 E C -2.469 174.205 176.600 0.123 0.000 0.881 389 E CA -1.381 55.084 56.400 0.108 0.000 0.752 389 E CB 1.346 31.083 29.700 0.062 0.000 1.176 389 E HN 0.439 nan 8.360 nan 0.000 0.421 390 P HA -0.037 nan 4.420 nan 0.000 0.237 390 P C 1.151 178.492 177.300 0.069 0.000 1.788 390 P CA 0.022 63.185 63.100 0.106 0.000 1.061 390 P CB 0.133 31.861 31.700 0.048 0.000 1.967 391 V N -0.614 119.297 119.914 -0.004 0.000 2.287 391 V HA -0.149 3.972 4.120 0.001 0.000 0.248 391 V C 0.739 176.879 176.094 0.077 0.000 1.053 391 V CA 1.454 63.704 62.300 -0.084 0.000 1.027 391 V CB -1.695 29.927 31.823 -0.335 0.000 0.646 391 V HN 0.350 nan 8.190 nan 0.000 0.447 392 H N 0.802 120.002 119.070 0.215 0.000 2.691 392 H HA 0.606 5.163 4.556 0.001 0.000 0.281 392 H C -0.447 175.074 175.328 0.323 0.000 1.121 392 H CA -1.407 54.824 56.048 0.305 0.000 1.254 392 H CB 0.458 30.358 29.762 0.230 0.000 1.390 392 H HN 0.395 nan 8.280 nan 0.000 0.491 393 I N 4.568 125.408 120.570 0.450 0.000 2.306 393 I HA 0.167 4.338 4.170 0.001 0.000 0.288 393 I C -0.070 176.334 176.117 0.479 0.000 1.036 393 I CA -0.247 61.275 61.300 0.369 0.000 1.221 393 I CB 1.108 39.239 38.000 0.218 0.000 1.385 393 I HN 0.247 nan 8.210 nan 0.000 0.472 394 L N 7.396 128.904 121.223 0.475 0.000 2.341 394 L HA 0.622 4.963 4.340 0.001 0.000 0.278 394 L C -1.020 176.099 176.870 0.415 0.000 1.005 394 L CA -0.284 54.821 54.840 0.441 0.000 0.818 394 L CB 1.767 44.021 42.059 0.325 0.000 1.259 394 L HN 0.746 nan 8.230 nan 0.000 0.418 395 C N 3.906 123.404 119.300 0.329 0.000 2.801 395 C HA 0.299 4.760 4.460 0.001 0.000 0.296 395 C C 1.213 176.290 174.990 0.145 0.000 1.054 395 C CA -0.510 58.608 59.018 0.166 0.000 1.442 395 C CB -0.283 27.331 27.740 -0.211 0.000 1.860 395 C HN 1.127 nan 8.230 nan 0.000 0.459 396 H N 3.650 122.776 119.070 0.093 0.000 2.289 396 H HA -0.163 4.394 4.556 0.001 0.000 0.294 396 H C 1.705 177.038 175.328 0.008 0.000 1.095 396 H CA 2.433 58.516 56.048 0.059 0.000 1.256 396 H CB 0.293 30.090 29.762 0.058 0.000 1.359 396 H HN 0.877 nan 8.280 nan 0.000 0.487 397 N N 0.364 119.144 118.700 0.133 0.000 2.441 397 N HA 0.050 4.791 4.740 0.001 0.000 0.225 397 N C 0.376 175.817 175.510 -0.114 0.000 1.208 397 N CA -0.022 53.020 53.050 -0.013 0.000 0.847 397 N CB 0.580 39.002 38.487 -0.108 0.000 1.121 397 N HN 0.172 nan 8.380 nan 0.000 0.479 398 G N 0.829 109.554 108.800 -0.124 0.000 2.502 398 G HA2 0.330 4.291 3.960 0.001 0.000 0.305 398 G HA3 0.330 4.291 3.960 0.001 0.000 0.305 398 G C -0.421 174.484 174.900 0.008 0.000 1.190 398 G CA -0.643 44.309 45.100 -0.247 0.000 0.933 398 G HN 0.526 nan 8.290 nan 0.000 0.503 399 N N -1.990 116.771 118.700 0.102 0.000 2.469 399 N HA 0.294 5.035 4.740 0.001 0.000 0.286 399 N C 0.701 176.341 175.510 0.218 0.000 1.275 399 N CA -0.985 52.166 53.050 0.169 0.000 0.790 399 N CB 1.772 40.370 38.487 0.185 0.000 1.446 399 N HN 0.362 nan 8.380 nan 0.000 0.501 400 K N 0.181 120.684 120.400 0.171 0.000 2.034 400 K HA -0.178 4.142 4.320 0.001 0.000 0.214 400 K C 1.585 178.273 176.600 0.146 0.000 1.051 400 K CA 1.730 58.102 56.287 0.140 0.000 0.931 400 K CB -0.233 32.335 32.500 0.112 0.000 0.715 400 K HN 0.450 nan 8.250 nan 0.000 0.446 401 R N -0.285 120.340 120.500 0.209 0.000 2.081 401 R HA -0.169 4.172 4.340 0.001 0.000 0.235 401 R C 2.113 178.513 176.300 0.167 0.000 1.131 401 R CA 1.710 57.965 56.100 0.257 0.000 0.960 401 R CB -0.434 30.114 30.300 0.413 0.000 0.856 401 R HN 0.389 nan 8.270 nan 0.000 0.436 402 W N 2.325 123.504 121.300 -0.202 0.000 2.358 402 W HA -0.185 4.476 4.660 0.001 0.000 0.303 402 W C 2.108 178.387 176.519 -0.400 0.000 1.208 402 W CA 1.396 58.252 57.345 -0.816 0.000 1.274 402 W CB -0.063 28.914 29.460 -0.805 0.000 1.138 402 W HN -0.074 nan 8.180 nan 0.000 0.515 403 K N 0.907 121.277 120.400 -0.050 0.000 2.032 403 K HA -0.298 4.022 4.320 0.001 0.000 0.209 403 K C 2.292 178.738 176.600 -0.258 0.000 1.048 403 K CA 2.079 58.263 56.287 -0.171 0.000 0.927 403 K CB -0.549 31.968 32.500 0.028 0.000 0.712 403 K HN 0.114 nan 8.250 nan 0.000 0.441 404 K N 0.184 120.505 120.400 -0.131 0.000 2.032 404 K HA -0.190 4.131 4.320 0.001 0.000 0.209 404 K C 2.017 178.532 176.600 -0.142 0.000 1.048 404 K CA 1.443 57.675 56.287 -0.092 0.000 0.927 404 K CB -0.275 32.223 32.500 -0.005 0.000 0.712 404 K HN 0.246 nan 8.250 nan 0.000 0.441 405 A N 0.823 123.529 122.820 -0.190 0.000 1.873 405 A HA -0.168 4.152 4.320 0.001 0.000 0.218 405 A C 2.296 179.721 177.584 -0.266 0.000 1.193 405 A CA 2.135 54.066 52.037 -0.177 0.000 0.629 405 A CB -0.891 17.990 19.000 -0.200 0.000 0.826 405 A HN 0.207 nan 8.150 nan 0.000 0.447 406 V N 0.587 120.181 119.914 -0.533 0.000 2.343 406 V HA -0.256 3.865 4.120 0.001 0.000 0.247 406 V C 2.210 178.147 176.094 -0.261 0.000 1.051 406 V CA 2.247 64.261 62.300 -0.475 0.000 1.036 406 V CB -0.924 30.417 31.823 -0.803 0.000 0.654 406 V HN 0.501 nan 8.190 nan 0.000 0.451 407 D N 0.553 120.810 120.400 -0.237 0.000 2.123 407 D HA -0.166 4.475 4.640 0.001 0.000 0.196 407 D C 2.255 178.502 176.300 -0.090 0.000 0.992 407 D CA 1.806 55.721 54.000 -0.142 0.000 0.833 407 D CB -0.310 40.418 40.800 -0.120 0.000 0.954 407 D HN 0.452 nan 8.370 nan 0.000 0.455 408 A N 0.790 123.565 122.820 -0.075 0.000 1.902 408 A HA -0.151 4.170 4.320 0.001 0.000 0.217 408 A C 2.416 179.993 177.584 -0.012 0.000 1.181 408 A CA 0.944 52.963 52.037 -0.030 0.000 0.623 408 A CB -0.724 18.271 19.000 -0.009 0.000 0.818 408 A HN 0.212 nan 8.150 nan 0.000 0.443 409 I N -0.350 120.211 120.570 -0.016 0.000 2.226 409 I HA -0.270 3.901 4.170 0.001 0.000 0.245 409 I C 2.334 178.443 176.117 -0.012 0.000 1.100 409 I CA 1.153 62.464 61.300 0.018 0.000 1.374 409 I CB -0.340 37.679 38.000 0.032 0.000 1.057 409 I HN 0.300 nan 8.210 nan 0.000 0.413 410 L N 0.465 121.662 121.223 -0.043 0.000 2.056 410 L HA -0.132 4.208 4.340 0.001 0.000 0.207 410 L C 2.712 179.568 176.870 -0.023 0.000 1.078 410 L CA 1.140 55.957 54.840 -0.038 0.000 0.749 410 L CB -0.681 41.344 42.059 -0.057 0.000 0.901 410 L HN 0.210 nan 8.230 nan 0.000 0.433 411 A N -0.103 122.701 122.820 -0.026 0.000 2.172 411 A HA 0.040 4.361 4.320 0.001 0.000 0.216 411 A C 2.272 179.852 177.584 -0.007 0.000 1.154 411 A CA 1.256 53.281 52.037 -0.020 0.000 0.701 411 A CB -0.448 18.540 19.000 -0.021 0.000 0.789 411 A HN 0.384 nan 8.150 nan 0.000 0.465 412 A N -1.340 121.482 122.820 0.005 0.000 2.218 412 A HA 0.429 4.750 4.320 0.001 0.000 0.209 412 A C 1.026 178.625 177.584 0.024 0.000 1.168 412 A CA 0.867 52.915 52.037 0.019 0.000 0.804 412 A CB -0.149 18.872 19.000 0.035 0.000 0.834 412 A HN 0.517 nan 8.150 nan 0.000 0.482 413 S N -1.498 114.215 115.700 0.021 0.000 2.540 413 S HA 0.539 5.010 4.470 0.001 0.000 0.275 413 S C -2.528 172.074 174.600 0.003 0.000 1.123 413 S CA -1.133 57.095 58.200 0.046 0.000 0.907 413 S CB 1.636 64.895 63.200 0.099 0.000 1.081 413 S HN -0.054 nan 8.310 nan 0.000 0.476 414 P HA -0.047 nan 4.420 nan 0.000 0.218 414 P C 0.416 177.541 177.300 -0.292 0.000 1.148 414 P CA 1.174 64.144 63.100 -0.217 0.000 0.822 414 P CB -0.064 31.423 31.700 -0.356 0.000 0.784 415 Y N -0.899 119.372 120.300 -0.049 0.000 2.421 415 Y HA 0.026 4.576 4.550 0.001 0.000 0.292 415 Y C 2.536 178.402 175.900 -0.057 0.000 1.136 415 Y CA 1.330 59.390 58.100 -0.067 0.000 1.255 415 Y CB -1.225 37.186 38.460 -0.082 0.000 0.991 415 Y HN -0.031 nan 8.280 nan 0.000 0.552 416 G N -0.418 108.413 108.800 0.052 0.000 2.985 416 G HA2 -0.122 3.839 3.960 0.001 0.000 0.209 416 G HA3 -0.122 3.839 3.960 0.001 0.000 0.209 416 G C 1.634 176.524 174.900 -0.016 0.000 1.165 416 G CA 0.022 45.130 45.100 0.014 0.000 0.776 416 G HN 0.249 nan 8.290 nan 0.000 0.541 417 K N 1.052 121.428 120.400 -0.039 0.000 2.077 417 K HA -0.179 4.142 4.320 0.001 0.000 0.213 417 K C 0.877 177.457 176.600 -0.034 0.000 1.051 417 K CA 1.414 57.672 56.287 -0.049 0.000 0.929 417 K CB -0.081 32.373 32.500 -0.077 0.000 0.715 417 K HN 0.226 nan 8.250 nan 0.000 0.451 418 N N 0.181 118.866 118.700 -0.026 0.000 2.320 418 N HA 0.124 4.865 4.740 0.001 0.000 0.237 418 N C -0.643 174.871 175.510 0.008 0.000 1.129 418 N CA 0.123 53.166 53.050 -0.011 0.000 0.854 418 N CB 1.023 39.500 38.487 -0.017 0.000 1.083 418 N HN 0.192 nan 8.380 nan 0.000 0.504 419 A N 0.338 123.161 122.820 0.005 0.000 2.279 419 A HA 0.747 5.068 4.320 0.001 0.000 0.303 419 A C 0.016 177.609 177.584 0.013 0.000 1.108 419 A CA -0.143 51.910 52.037 0.026 0.000 0.830 419 A CB 0.646 19.653 19.000 0.011 0.000 1.106 419 A HN 0.116 nan 8.150 nan 0.000 0.493 420 T N 0.392 114.971 114.554 0.040 0.000 3.143 420 T HA 0.445 4.796 4.350 0.001 0.000 0.312 420 T C -0.720 173.839 174.700 -0.235 0.000 0.986 420 T CA -0.497 61.523 62.100 -0.133 0.000 1.024 420 T CB 0.861 69.643 68.868 -0.142 0.000 1.030 420 T HN 0.485 nan 8.240 nan 0.000 0.448 421 V N 3.639 123.390 119.914 -0.272 0.000 2.583 421 V HA 0.381 4.502 4.120 0.001 0.000 0.287 421 V C -0.931 175.005 176.094 -0.264 0.000 1.051 421 V CA -0.377 61.840 62.300 -0.138 0.000 1.010 421 V CB 0.036 31.785 31.823 -0.123 0.000 0.988 421 V HN 0.837 nan 8.190 nan 0.000 0.478 422 Y N 4.902 125.315 120.300 0.188 0.000 2.326 422 Y HA 0.634 5.185 4.550 0.001 0.000 0.329 422 Y C 0.284 176.286 175.900 0.170 0.000 0.973 422 Y CA -0.763 57.432 58.100 0.159 0.000 1.162 422 Y CB 1.479 40.029 38.460 0.150 0.000 1.147 422 Y HN 0.591 nan 8.280 nan 0.000 0.456 423 I N -1.094 119.632 120.570 0.261 0.000 2.707 423 I HA 0.854 5.025 4.170 0.001 0.000 0.309 423 I C 1.011 177.192 176.117 0.107 0.000 1.001 423 I CA -1.049 60.370 61.300 0.198 0.000 1.129 423 I CB 1.860 39.978 38.000 0.198 0.000 1.308 423 I HN 0.749 nan 8.210 nan 0.000 0.466 424 G N 2.647 111.495 108.800 0.081 0.000 2.283 424 G HA2 -0.214 3.746 3.960 0.001 0.000 0.280 424 G HA3 -0.214 3.746 3.960 0.001 0.000 0.280 424 G C -0.124 174.655 174.900 -0.201 0.000 1.029 424 G CA 0.090 45.200 45.100 0.016 0.000 0.840 424 G HN 0.622 nan 8.290 nan 0.000 0.505 425 K N 0.816 121.053 120.400 -0.273 0.000 2.292 425 K HA 0.467 4.787 4.320 0.001 0.000 0.257 425 K C 0.071 176.419 176.600 -0.420 0.000 0.940 425 K CA -0.505 55.639 56.287 -0.239 0.000 0.811 425 K CB 1.907 34.299 32.500 -0.181 0.000 1.120 425 K HN 0.476 nan 8.250 nan 0.000 0.428 426 D N 0.357 120.550 120.400 -0.346 0.000 2.432 426 D HA 0.166 4.807 4.640 0.001 0.000 0.258 426 D C 1.260 177.444 176.300 -0.193 0.000 1.146 426 D CA -0.719 53.122 54.000 -0.265 0.000 1.015 426 D CB 0.762 41.460 40.800 -0.170 0.000 1.107 426 D HN 0.254 nan 8.370 nan 0.000 0.529 427 L N -0.787 120.328 121.223 -0.180 0.000 2.261 427 L HA -0.098 4.243 4.340 0.001 0.000 0.216 427 L C 1.964 178.763 176.870 -0.119 0.000 1.114 427 L CA 0.781 55.465 54.840 -0.261 0.000 0.777 427 L CB -0.403 41.461 42.059 -0.325 0.000 0.910 427 L HN 0.580 nan 8.230 nan 0.000 0.440 428 W N 0.814 121.953 121.300 -0.268 0.000 2.402 428 W HA -0.172 4.489 4.660 0.002 0.000 0.286 428 W C 2.262 178.669 176.519 -0.188 0.000 1.221 428 W CA 1.437 58.657 57.345 -0.209 0.000 1.257 428 W CB -0.136 29.177 29.460 -0.245 0.000 1.120 428 W HN 0.319 nan 8.180 nan 0.000 0.551 429 H N -0.351 118.612 119.070 -0.179 0.000 2.326 429 H HA -0.211 4.346 4.556 0.001 0.000 0.301 429 H C 2.150 177.339 175.328 -0.232 0.000 1.081 429 H CA 1.699 57.517 56.048 -0.384 0.000 1.334 429 H CB -0.368 28.901 29.762 -0.821 0.000 1.385 429 H HN 0.027 nan 8.280 nan 0.000 0.504 430 L N 1.226 122.365 121.223 -0.140 0.000 2.083 430 L HA -0.169 4.172 4.340 0.001 0.000 0.209 430 L C 2.446 179.200 176.870 -0.193 0.000 1.083 430 L CA 1.460 56.194 54.840 -0.176 0.000 0.752 430 L CB -0.491 41.440 42.059 -0.213 0.000 0.899 430 L HN 0.112 nan 8.230 nan 0.000 0.433 431 R N -1.036 119.314 120.500 -0.251 0.000 2.096 431 R HA -0.196 4.145 4.340 0.001 0.000 0.240 431 R C 2.196 178.372 176.300 -0.206 0.000 1.139 431 R CA 1.997 57.910 56.100 -0.311 0.000 0.952 431 R CB -0.325 29.676 30.300 -0.498 0.000 0.854 431 R HN 0.452 nan 8.270 nan 0.000 0.436 432 S N 0.883 116.496 115.700 -0.146 0.000 2.368 432 S HA -0.089 4.382 4.470 0.001 0.000 0.225 432 S C 1.910 176.484 174.600 -0.044 0.000 1.030 432 S CA 1.224 59.420 58.200 -0.007 0.000 0.999 432 S CB -0.181 63.055 63.200 0.060 0.000 0.844 432 S HN 0.294 nan 8.310 nan 0.000 0.459 433 L N 1.554 122.685 121.223 -0.153 0.000 2.042 433 L HA -0.095 4.246 4.340 0.001 0.000 0.210 433 L C 2.424 179.190 176.870 -0.173 0.000 1.076 433 L CA 1.169 55.796 54.840 -0.354 0.000 0.749 433 L CB -0.893 40.728 42.059 -0.730 0.000 0.893 433 L HN 0.346 nan 8.230 nan 0.000 0.432 434 V N -5.128 114.724 119.914 -0.104 0.000 3.380 434 V HA -0.102 4.019 4.120 0.001 0.000 0.268 434 V C 1.999 178.030 176.094 -0.105 0.000 1.168 434 V CA 0.981 63.255 62.300 -0.044 0.000 1.156 434 V CB -0.661 31.085 31.823 -0.127 0.000 0.785 434 V HN 0.145 nan 8.190 nan 0.000 0.487 435 F N 2.338 122.250 119.950 -0.063 0.000 2.243 435 F HA 0.101 4.629 4.527 0.001 0.000 0.287 435 F C 2.805 178.562 175.800 -0.071 0.000 1.067 435 F CA 1.655 59.597 58.000 -0.097 0.000 1.304 435 F CB -0.884 37.989 39.000 -0.211 0.000 1.087 435 F HN 0.311 nan 8.300 nan 0.000 0.513 436 T N -2.536 112.089 114.554 0.119 0.000 2.698 436 T HA -0.140 4.211 4.350 0.001 0.000 0.260 436 T C 0.871 175.612 174.700 0.068 0.000 1.044 436 T CA 1.348 63.472 62.100 0.040 0.000 1.149 436 T CB -0.443 68.406 68.868 -0.033 0.000 0.864 436 T HN -0.018 nan 8.240 nan 0.000 0.419 437 D N 1.409 121.869 120.400 0.100 0.000 2.590 437 D HA 0.248 4.889 4.640 0.001 0.000 0.280 437 D C -0.566 175.870 176.300 0.226 0.000 1.197 437 D CA -0.479 53.621 54.000 0.166 0.000 0.967 437 D CB 0.056 41.007 40.800 0.251 0.000 0.987 437 D HN 0.310 nan 8.370 nan 0.000 0.508 438 K N 3.062 123.540 120.400 0.130 0.000 2.453 438 K HA 0.100 4.421 4.320 0.001 0.000 0.280 438 K C -2.107 174.493 176.600 -0.001 0.000 1.045 438 K CA -0.854 55.481 56.287 0.080 0.000 1.059 438 K CB 0.608 33.155 32.500 0.078 0.000 0.901 438 K HN 0.290 nan 8.250 nan 0.000 0.475 439 P HA 0.150 nan 4.420 nan 0.000 0.284 439 P C -0.365 176.810 177.300 -0.209 0.000 1.292 439 P CA -0.419 62.596 63.100 -0.141 0.000 0.800 439 P CB 0.876 32.506 31.700 -0.116 0.000 1.188 440 D N -1.079 119.122 120.400 -0.331 0.000 2.120 440 D HA 0.086 4.727 4.640 0.001 0.000 0.202 440 D C 0.363 176.214 176.300 -0.748 0.000 0.972 440 D CA 1.602 55.295 54.000 -0.512 0.000 0.837 440 D CB 0.006 40.530 40.800 -0.461 0.000 0.989 440 D HN 0.294 nan 8.370 nan 0.000 0.469 441 F N -0.887 118.915 119.950 -0.247 0.000 2.692 441 F HA 0.404 4.932 4.527 0.001 0.000 0.320 441 F C -0.341 175.568 175.800 0.182 0.000 1.123 441 F CA -1.278 56.730 58.000 0.012 0.000 0.961 441 F CB 1.429 40.524 39.000 0.158 0.000 1.383 441 F HN -0.338 nan 8.300 nan 0.000 0.483 442 M N 1.703 121.580 119.600 0.462 0.000 2.393 442 M HA 0.713 5.193 4.480 0.001 0.000 0.299 442 M C -1.971 174.501 176.300 0.288 0.000 1.103 442 M CA -0.502 55.047 55.300 0.415 0.000 0.910 442 M CB 2.444 35.306 32.600 0.437 0.000 1.659 442 M HN 0.456 nan 8.290 nan 0.000 0.445 443 I N 2.976 123.637 120.570 0.152 0.000 2.321 443 I HA 0.870 5.041 4.170 0.001 0.000 0.291 443 I C 0.347 176.198 176.117 -0.444 0.000 0.998 443 I CA -0.241 61.017 61.300 -0.071 0.000 1.227 443 I CB 1.512 39.459 38.000 -0.089 0.000 1.368 443 I HN 1.043 nan 8.210 nan 0.000 0.466 444 G N 4.618 113.053 108.800 -0.609 0.000 2.427 444 G HA2 0.208 4.169 3.960 0.001 0.000 0.306 444 G HA3 0.208 4.169 3.960 0.001 0.000 0.306 444 G C -1.577 172.974 174.900 -0.581 0.000 1.280 444 G CA -0.793 43.551 45.100 -1.259 0.000 0.837 444 G HN 0.600 nan 8.290 nan 0.000 0.482 445 N N -0.715 117.729 118.700 -0.427 0.000 2.364 445 N HA 0.333 5.074 4.740 0.001 0.000 0.264 445 N C 1.250 176.730 175.510 -0.050 0.000 1.263 445 N CA 0.317 53.268 53.050 -0.165 0.000 0.959 445 N CB 0.684 39.098 38.487 -0.121 0.000 1.204 445 N HN 0.262 nan 8.380 nan 0.000 0.550 446 S N -1.288 114.233 115.700 -0.299 0.000 2.420 446 S HA -0.155 4.316 4.470 0.001 0.000 0.237 446 S C 1.184 175.651 174.600 -0.223 0.000 1.023 446 S CA 0.960 58.970 58.200 -0.317 0.000 0.991 446 S CB -0.787 62.117 63.200 -0.493 0.000 0.792 446 S HN 0.518 nan 8.310 nan 0.000 0.488 447 Y N 1.481 121.820 120.300 0.066 0.000 2.384 447 Y HA -0.040 4.511 4.550 0.001 0.000 0.289 447 Y C 2.519 178.525 175.900 0.176 0.000 1.152 447 Y CA 0.475 58.678 58.100 0.171 0.000 1.258 447 Y CB -1.016 37.574 38.460 0.216 0.000 0.979 447 Y HN 0.338 nan 8.280 nan 0.000 0.549 448 G N 0.425 109.497 108.800 0.452 0.000 2.534 448 G HA2 -0.214 3.746 3.960 0.001 0.000 0.217 448 G HA3 -0.214 3.746 3.960 0.001 0.000 0.217 448 G C 1.664 176.650 174.900 0.143 0.000 1.128 448 G CA 0.670 46.008 45.100 0.396 0.000 0.784 448 G HN 0.537 nan 8.290 nan 0.000 0.542 449 K N -0.316 120.031 120.400 -0.089 0.000 2.211 449 K HA -0.067 4.254 4.320 0.001 0.000 0.204 449 K C 1.729 178.198 176.600 -0.218 0.000 1.047 449 K CA 1.157 57.303 56.287 -0.235 0.000 0.935 449 K CB -0.451 31.786 32.500 -0.438 0.000 0.728 449 K HN 0.261 nan 8.250 nan 0.000 0.452 450 F N 1.591 121.620 119.950 0.131 0.000 2.367 450 F HA 0.137 4.665 4.527 0.001 0.000 0.298 450 F C 2.068 177.936 175.800 0.113 0.000 1.094 450 F CA 0.117 58.191 58.000 0.125 0.000 1.409 450 F CB -0.313 38.777 39.000 0.150 0.000 1.064 450 F HN -0.095 nan 8.300 nan 0.000 0.528 451 I N -0.320 120.376 120.570 0.210 0.000 2.286 451 I HA -0.273 3.898 4.170 0.001 0.000 0.245 451 I C 2.559 178.701 176.117 0.041 0.000 1.104 451 I CA 1.249 62.596 61.300 0.079 0.000 1.397 451 I CB -0.504 37.492 38.000 -0.007 0.000 1.072 451 I HN 0.188 nan 8.210 nan 0.000 0.417 452 Q N 1.265 121.107 119.800 0.069 0.000 2.124 452 Q HA -0.241 4.100 4.340 0.001 0.000 0.202 452 Q C 2.420 178.477 176.000 0.095 0.000 0.977 452 Q CA 1.371 57.209 55.803 0.060 0.000 0.850 452 Q CB -0.018 28.758 28.738 0.064 0.000 0.901 452 Q HN 0.337 nan 8.270 nan 0.000 0.429 453 R N 0.296 120.873 120.500 0.128 0.000 2.070 453 R HA -0.172 4.169 4.340 0.001 0.000 0.233 453 R C 1.544 177.969 176.300 0.208 0.000 1.137 453 R CA 1.950 58.144 56.100 0.157 0.000 0.945 453 R CB -0.232 30.188 30.300 0.200 0.000 0.845 453 R HN 0.387 nan 8.270 nan 0.000 0.430 454 D N -0.041 120.511 120.400 0.254 0.000 2.092 454 D HA -0.169 4.472 4.640 0.001 0.000 0.193 454 D C 1.915 178.541 176.300 0.544 0.000 0.994 454 D CA 2.345 56.599 54.000 0.423 0.000 0.828 454 D CB -0.473 40.588 40.800 0.436 0.000 0.963 454 D HN 0.477 nan 8.370 nan 0.000 0.450 455 T N 0.569 115.248 114.554 0.208 0.000 2.635 455 T HA -0.225 4.126 4.350 0.001 0.000 0.267 455 T C 2.157 177.051 174.700 0.324 0.000 1.040 455 T CA 1.279 63.457 62.100 0.130 0.000 1.156 455 T CB -0.776 68.007 68.868 -0.142 0.000 0.863 455 T HN 0.061 nan 8.240 nan 0.000 0.430 456 L N 1.239 122.605 121.223 0.239 0.000 2.079 456 L HA -0.112 4.228 4.340 0.001 0.000 0.210 456 L C 2.520 179.561 176.870 0.284 0.000 1.081 456 L CA 2.099 57.077 54.840 0.229 0.000 0.752 456 L CB -1.192 40.963 42.059 0.159 0.000 0.896 456 L HN 0.540 nan 8.230 nan 0.000 0.433 457 H N -0.506 118.680 119.070 0.193 0.000 2.489 457 H HA -0.216 4.341 4.556 0.001 0.000 0.295 457 H C 2.163 177.620 175.328 0.213 0.000 1.082 457 H CA 1.661 57.762 56.048 0.089 0.000 1.295 457 H CB 0.352 30.017 29.762 -0.161 0.000 1.380 457 H HN 0.445 nan 8.280 nan 0.000 0.548 458 K N -0.008 120.607 120.400 0.358 0.000 2.076 458 K HA 0.045 4.366 4.320 0.001 0.000 0.204 458 K C 0.350 177.074 176.600 0.207 0.000 1.051 458 K CA 0.955 57.377 56.287 0.225 0.000 0.949 458 K CB 0.372 32.903 32.500 0.051 0.000 0.726 458 K HN 0.366 nan 8.250 nan 0.000 0.443 459 G N -0.304 108.755 108.800 0.433 0.000 2.377 459 G HA2 0.043 4.004 3.960 0.001 0.000 0.297 459 G HA3 0.043 4.004 3.960 0.001 0.000 0.297 459 G C -0.842 174.256 174.900 0.330 0.000 1.547 459 G CA -0.498 44.891 45.100 0.483 0.000 0.833 459 G HN -0.049 nan 8.290 nan 0.000 0.583 460 K N 0.526 121.014 120.400 0.147 0.000 2.063 460 K HA -0.104 4.217 4.320 0.001 0.000 0.208 460 K C 2.285 178.866 176.600 -0.031 0.000 1.048 460 K CA 2.452 58.774 56.287 0.057 0.000 0.928 460 K CB 0.027 32.540 32.500 0.023 0.000 0.713 460 K HN 0.622 nan 8.250 nan 0.000 0.442 461 E N -0.505 119.587 120.200 -0.180 0.000 2.472 461 E HA -0.161 4.190 4.350 0.001 0.000 0.200 461 E C 0.914 177.263 176.600 -0.418 0.000 1.046 461 E CA 0.860 57.048 56.400 -0.353 0.000 0.871 461 E CB -0.216 29.183 29.700 -0.502 0.000 0.806 461 E HN 0.384 nan 8.360 nan 0.000 0.533 462 F N 1.459 121.423 119.950 0.022 0.000 2.731 462 F HA 0.236 4.764 4.527 0.001 0.000 0.298 462 F C 1.128 176.930 175.800 0.004 0.000 1.106 462 F CA -0.433 57.591 58.000 0.040 0.000 1.329 462 F CB 0.150 39.226 39.000 0.127 0.000 1.100 462 F HN -0.057 nan 8.300 nan 0.000 0.592 463 E N 1.860 122.139 120.200 0.132 0.000 2.366 463 E HA 0.173 4.524 4.350 0.001 0.000 0.266 463 E C -0.883 175.694 176.600 -0.037 0.000 1.015 463 E CA -0.050 56.386 56.400 0.060 0.000 0.906 463 E CB 0.770 30.502 29.700 0.052 0.000 0.979 463 E HN -0.081 nan 8.360 nan 0.000 0.443 464 V N 7.895 127.781 119.914 -0.046 0.000 2.275 464 V HA 0.245 4.365 4.120 0.001 0.000 0.272 464 V C -2.204 173.887 176.094 -0.005 0.000 1.028 464 V CA -1.902 60.345 62.300 -0.088 0.000 0.810 464 V CB 0.983 32.762 31.823 -0.073 0.000 1.043 464 V HN 0.745 nan 8.190 nan 0.000 0.453 465 P HA 0.066 nan 4.420 nan 0.000 0.266 465 P C -0.526 176.936 177.300 0.269 0.000 1.195 465 P CA -0.106 63.094 63.100 0.167 0.000 0.768 465 P CB 0.587 32.464 31.700 0.295 0.000 0.838 466 L N 4.888 126.233 121.223 0.202 0.000 2.307 466 L HA 0.448 4.788 4.340 0.001 0.000 0.282 466 L C -0.789 176.167 176.870 0.144 0.000 1.051 466 L CA -0.096 54.860 54.840 0.192 0.000 0.804 466 L CB 0.385 42.535 42.059 0.151 0.000 1.197 466 L HN 0.246 nan 8.230 nan 0.000 0.431 467 I N 5.272 125.911 120.570 0.114 0.000 2.359 467 I HA 0.371 4.542 4.170 0.001 0.000 0.284 467 I C 0.043 176.156 176.117 -0.007 0.000 1.018 467 I CA -0.618 60.704 61.300 0.037 0.000 1.173 467 I CB 0.950 38.956 38.000 0.010 0.000 1.326 467 I HN 0.549 nan 8.210 nan 0.000 0.462 468 R N 7.021 127.515 120.500 -0.010 0.000 2.387 468 R HA 0.402 4.743 4.340 0.001 0.000 0.321 468 R C -0.827 175.482 176.300 0.014 0.000 1.174 468 R CA 0.446 56.530 56.100 -0.028 0.000 1.002 468 R CB -0.109 30.175 30.300 -0.027 0.000 1.028 468 R HN 0.541 nan 8.270 nan 0.000 0.482 469 I N 2.146 122.721 120.570 0.007 0.000 2.534 469 I HA 0.505 4.676 4.170 0.001 0.000 0.286 469 I C 0.544 176.689 176.117 0.048 0.000 1.094 469 I CA -0.529 60.847 61.300 0.127 0.000 1.055 469 I CB 2.029 40.136 38.000 0.179 0.000 1.225 469 I HN 0.786 nan 8.210 nan 0.000 0.435 470 G N 5.382 114.168 108.800 -0.023 0.000 2.247 470 G HA2 0.126 4.086 3.960 0.001 0.000 0.229 470 G HA3 0.126 4.086 3.960 0.001 0.000 0.229 470 G C -2.019 172.722 174.900 -0.264 0.000 1.345 470 G CA -0.612 44.263 45.100 -0.374 0.000 1.100 470 G HN 0.491 nan 8.290 nan 0.000 0.473 471 F N 2.305 122.002 119.950 -0.423 0.000 2.615 471 F HA 0.739 5.267 4.527 0.001 0.000 0.312 471 F C -2.499 173.077 175.800 -0.374 0.000 1.119 471 F CA -1.581 56.089 58.000 -0.551 0.000 0.979 471 F CB 2.846 41.590 39.000 -0.428 0.000 1.266 471 F HN 0.495 nan 8.300 nan 0.000 0.444 472 P HA 0.506 nan 4.420 nan 0.000 0.287 472 P C -1.147 175.317 177.300 -1.394 0.000 1.279 472 P CA -0.436 61.359 63.100 -2.175 0.000 0.867 472 P CB 2.678 32.582 31.700 -2.994 0.000 1.127 473 I N 2.309 122.316 120.570 -0.938 0.000 2.405 473 I HA 0.220 4.390 4.170 0.001 0.000 0.280 473 I C 0.298 176.277 176.117 -0.230 0.000 1.027 473 I CA -0.438 60.596 61.300 -0.443 0.000 1.161 473 I CB 0.743 38.672 38.000 -0.117 0.000 1.300 473 I HN 0.163 nan 8.210 nan 0.000 0.463 474 F N 2.388 122.184 119.950 -0.257 0.000 2.622 474 F HA 0.031 4.559 4.527 0.001 0.000 0.288 474 F C 1.903 177.636 175.800 -0.112 0.000 1.120 474 F CA -0.111 57.763 58.000 -0.210 0.000 1.423 474 F CB -0.213 38.622 39.000 -0.275 0.000 1.127 474 F HN 0.483 nan 8.300 nan 0.000 0.588 475 D N -0.375 120.061 120.400 0.061 0.000 2.336 475 D HA 0.057 4.698 4.640 0.001 0.000 0.228 475 D C 0.196 176.525 176.300 0.048 0.000 1.120 475 D CA 0.263 54.287 54.000 0.041 0.000 0.839 475 D CB 0.002 40.785 40.800 -0.029 0.000 0.932 475 D HN -0.064 nan 8.370 nan 0.000 0.509 476 R N 0.459 121.011 120.500 0.087 0.000 2.515 476 R HA 0.239 4.580 4.340 0.001 0.000 0.291 476 R C -0.854 175.548 176.300 0.169 0.000 1.046 476 R CA -0.532 55.625 56.100 0.095 0.000 0.914 476 R CB 0.843 31.167 30.300 0.041 0.000 1.191 476 R HN 0.314 nan 8.270 nan 0.000 0.435 477 H N 2.939 121.978 119.070 -0.052 0.000 2.899 477 H HA 0.064 4.621 4.556 0.001 0.000 0.303 477 H C 0.031 175.295 175.328 -0.107 0.000 1.042 477 H CA 0.231 56.175 56.048 -0.173 0.000 1.479 477 H CB 0.524 30.187 29.762 -0.165 0.000 1.493 477 H HN 0.749 nan 8.280 nan 0.000 0.534 478 H N 0.348 119.506 119.070 0.147 0.000 3.237 478 H HA -0.181 4.375 4.556 0.001 0.000 0.231 478 H C 1.105 176.326 175.328 -0.178 0.000 1.148 478 H CA 0.566 56.574 56.048 -0.068 0.000 1.155 478 H CB -1.339 28.390 29.762 -0.054 0.000 1.210 478 H HN 0.616 nan 8.280 nan 0.000 0.317 479 L N 1.059 122.315 121.223 0.055 0.000 2.362 479 L HA -0.144 4.197 4.340 0.001 0.000 0.219 479 L C 2.762 179.708 176.870 0.128 0.000 1.134 479 L CA 1.590 56.488 54.840 0.097 0.000 0.807 479 L CB -0.560 41.575 42.059 0.127 0.000 0.927 479 L HN 0.665 nan 8.230 nan 0.000 0.447 480 H N 0.223 119.290 119.070 -0.005 0.000 2.560 480 H HA -0.083 4.474 4.556 0.001 0.000 0.283 480 H C 1.632 177.091 175.328 0.219 0.000 1.028 480 H CA 0.501 56.492 56.048 -0.094 0.000 1.221 480 H CB -0.216 29.323 29.762 -0.373 0.000 1.363 480 H HN 0.421 nan 8.280 nan 0.000 0.594 481 R N 0.978 121.376 120.500 -0.171 0.000 2.246 481 R HA 0.102 4.442 4.340 0.001 0.000 0.199 481 R C 0.821 177.194 176.300 0.121 0.000 0.984 481 R CA 0.184 56.266 56.100 -0.029 0.000 1.015 481 R CB 0.297 30.516 30.300 -0.136 0.000 0.930 481 R HN 0.111 nan 8.270 nan 0.000 0.475 482 S N 0.717 116.535 115.700 0.197 0.000 2.592 482 S HA 0.061 4.532 4.470 0.001 0.000 0.256 482 S C 0.385 174.946 174.600 -0.064 0.000 1.369 482 S CA 0.129 58.371 58.200 0.069 0.000 0.984 482 S CB 0.763 63.989 63.200 0.042 0.000 0.919 482 S HN 0.121 nan 8.310 nan 0.000 0.576 483 T N 0.327 114.745 114.554 -0.225 0.000 2.900 483 T HA 0.569 4.920 4.350 0.001 0.000 0.295 483 T C 0.798 175.283 174.700 -0.360 0.000 1.044 483 T CA -0.606 61.334 62.100 -0.267 0.000 0.995 483 T CB 1.797 70.577 68.868 -0.147 0.000 1.072 483 T HN 0.736 nan 8.240 nan 0.000 0.473 484 T N -0.965 113.377 114.554 -0.354 0.000 2.966 484 T HA 0.367 4.718 4.350 0.001 0.000 0.254 484 T C 0.509 175.073 174.700 -0.225 0.000 0.961 484 T CA -0.214 61.725 62.100 -0.268 0.000 0.915 484 T CB -0.083 68.674 68.868 -0.186 0.000 1.186 484 T HN 0.370 nan 8.240 nan 0.000 0.505 485 L N 2.098 123.184 121.223 -0.229 0.000 2.399 485 L HA 0.618 4.959 4.340 0.001 0.000 0.266 485 L C 1.346 178.036 176.870 -0.299 0.000 1.114 485 L CA 0.158 54.843 54.840 -0.258 0.000 0.804 485 L CB 0.328 42.223 42.059 -0.274 0.000 1.146 485 L HN 0.642 nan 8.230 nan 0.000 0.451 486 G N 0.587 109.164 108.800 -0.372 0.000 2.804 486 G HA2 -0.319 3.641 3.960 0.001 0.000 0.230 486 G HA3 -0.319 3.641 3.960 0.001 0.000 0.230 486 G C -0.043 174.633 174.900 -0.374 0.000 1.386 486 G CA 0.258 45.087 45.100 -0.452 0.000 0.875 486 G HN 0.588 nan 8.290 nan 0.000 0.557 487 Y N -0.018 120.193 120.300 -0.149 0.000 2.224 487 Y HA -0.028 4.522 4.550 0.001 0.000 0.289 487 Y C 2.787 178.598 175.900 -0.148 0.000 1.146 487 Y CA 1.932 59.945 58.100 -0.145 0.000 1.182 487 Y CB -0.464 37.948 38.460 -0.079 0.000 0.983 487 Y HN 0.799 nan 8.280 nan 0.000 0.524 488 E N 0.035 120.236 120.200 0.001 0.000 2.038 488 E HA -0.175 4.176 4.350 0.001 0.000 0.195 488 E C 2.601 179.143 176.600 -0.098 0.000 1.000 488 E CA 1.264 57.642 56.400 -0.036 0.000 0.803 488 E CB -0.569 29.104 29.700 -0.045 0.000 0.750 488 E HN 0.476 nan 8.360 nan 0.000 0.448 489 G N 0.601 109.304 108.800 -0.162 0.000 2.418 489 G HA2 -0.266 3.695 3.960 0.001 0.000 0.217 489 G HA3 -0.266 3.695 3.960 0.001 0.000 0.217 489 G C 1.645 176.397 174.900 -0.247 0.000 1.158 489 G CA 1.062 46.038 45.100 -0.208 0.000 0.771 489 G HN 0.435 nan 8.290 nan 0.000 0.545 490 A N 0.895 123.509 122.820 -0.344 0.000 1.865 490 A HA -0.058 4.263 4.320 0.001 0.000 0.217 490 A C 2.485 179.951 177.584 -0.196 0.000 1.191 490 A CA 2.007 53.685 52.037 -0.598 0.000 0.623 490 A CB -0.455 18.133 19.000 -0.688 0.000 0.826 490 A HN 0.373 nan 8.150 nan 0.000 0.444 491 M N -1.015 118.541 119.600 -0.074 0.000 2.082 491 M HA -0.277 4.204 4.480 0.001 0.000 0.258 491 M C 2.514 178.820 176.300 0.009 0.000 1.069 491 M CA 1.995 57.302 55.300 0.013 0.000 1.102 491 M CB -0.606 31.997 32.600 0.006 0.000 1.336 491 M HN 0.521 nan 8.290 nan 0.000 0.404 492 Q N 0.324 120.103 119.800 -0.034 0.000 2.020 492 Q HA -0.155 4.185 4.340 0.001 0.000 0.202 492 Q C 2.060 178.048 176.000 -0.020 0.000 0.982 492 Q CA 1.500 57.280 55.803 -0.038 0.000 0.838 492 Q CB -0.238 28.456 28.738 -0.073 0.000 0.899 492 Q HN 0.558 nan 8.270 nan 0.000 0.423 493 I N 0.713 121.277 120.570 -0.010 0.000 2.163 493 I HA -0.320 3.851 4.170 0.001 0.000 0.243 493 I C 2.461 178.630 176.117 0.087 0.000 1.085 493 I CA 0.998 62.325 61.300 0.045 0.000 1.347 493 I CB -0.350 37.720 38.000 0.118 0.000 1.044 493 I HN 0.271 nan 8.210 nan 0.000 0.408 494 L N 0.368 121.714 121.223 0.204 0.000 1.970 494 L HA -0.271 4.070 4.340 0.001 0.000 0.212 494 L C 2.677 179.555 176.870 0.014 0.000 1.071 494 L CA 2.093 57.002 54.840 0.115 0.000 0.751 494 L CB -0.494 41.687 42.059 0.204 0.000 0.889 494 L HN 0.252 nan 8.230 nan 0.000 0.432 495 T N -0.798 113.766 114.554 0.017 0.000 2.635 495 T HA -0.236 4.115 4.350 0.001 0.000 0.267 495 T C 1.728 176.399 174.700 -0.048 0.000 1.040 495 T CA 2.178 64.269 62.100 -0.016 0.000 1.156 495 T CB -0.694 68.166 68.868 -0.013 0.000 0.863 495 T HN 0.474 nan 8.240 nan 0.000 0.430 496 T N 2.598 117.123 114.554 -0.049 0.000 2.653 496 T HA -0.089 4.262 4.350 0.001 0.000 0.268 496 T C 1.996 176.623 174.700 -0.121 0.000 1.035 496 T CA 1.236 63.291 62.100 -0.074 0.000 1.154 496 T CB -0.650 68.182 68.868 -0.060 0.000 0.862 496 T HN 0.248 nan 8.240 nan 0.000 0.441 497 L N 0.563 121.706 121.223 -0.133 0.000 1.976 497 L HA -0.119 4.222 4.340 0.001 0.000 0.209 497 L C 2.748 179.509 176.870 -0.182 0.000 1.071 497 L CA 1.133 55.859 54.840 -0.189 0.000 0.746 497 L CB -0.990 40.945 42.059 -0.207 0.000 0.890 497 L HN 0.134 nan 8.230 nan 0.000 0.432 498 V N 0.398 120.244 119.914 -0.114 0.000 2.252 498 V HA -0.361 3.760 4.120 0.001 0.000 0.249 498 V C 2.034 178.022 176.094 -0.177 0.000 1.056 498 V CA 2.573 64.812 62.300 -0.101 0.000 1.022 498 V CB -1.023 30.771 31.823 -0.048 0.000 0.641 498 V HN 0.515 nan 8.190 nan 0.000 0.445 499 N N -0.117 118.490 118.700 -0.156 0.000 2.166 499 N HA -0.148 4.593 4.740 0.001 0.000 0.186 499 N C 1.985 177.384 175.510 -0.184 0.000 1.019 499 N CA 1.330 54.282 53.050 -0.163 0.000 0.856 499 N CB -0.203 38.216 38.487 -0.114 0.000 0.993 499 N HN 0.371 nan 8.380 nan 0.000 0.426 500 S N 0.862 116.427 115.700 -0.226 0.000 2.368 500 S HA -0.062 4.409 4.470 0.001 0.000 0.225 500 S C 1.939 176.350 174.600 -0.316 0.000 1.030 500 S CA 0.772 58.800 58.200 -0.288 0.000 0.999 500 S CB -0.193 62.737 63.200 -0.449 0.000 0.844 500 S HN 0.258 nan 8.310 nan 0.000 0.459 501 I N 1.513 121.856 120.570 -0.379 0.000 2.099 501 I HA -0.214 3.957 4.170 0.001 0.000 0.239 501 I C 2.116 178.169 176.117 -0.107 0.000 1.066 501 I CA 1.247 62.480 61.300 -0.113 0.000 1.324 501 I CB -0.537 37.421 38.000 -0.071 0.000 1.037 501 I HN 0.234 nan 8.210 nan 0.000 0.401 502 L N 0.329 121.376 121.223 -0.294 0.000 2.079 502 L HA -0.240 4.101 4.340 0.001 0.000 0.210 502 L C 2.515 179.256 176.870 -0.216 0.000 1.081 502 L CA 1.511 56.119 54.840 -0.386 0.000 0.752 502 L CB -0.748 41.044 42.059 -0.445 0.000 0.896 502 L HN 0.302 nan 8.230 nan 0.000 0.433 503 E N -0.104 120.016 120.200 -0.133 0.000 2.012 503 E HA -0.283 4.068 4.350 0.001 0.000 0.197 503 E C 2.265 178.858 176.600 -0.011 0.000 1.007 503 E CA 1.314 57.676 56.400 -0.064 0.000 0.816 503 E CB -0.142 29.538 29.700 -0.033 0.000 0.762 503 E HN 0.169 nan 8.360 nan 0.000 0.451 504 R N 1.191 121.730 120.500 0.066 0.000 2.117 504 R HA -0.123 4.218 4.340 0.001 0.000 0.243 504 R C 2.124 178.438 176.300 0.024 0.000 1.143 504 R CA 1.124 57.279 56.100 0.091 0.000 0.968 504 R CB -0.742 29.683 30.300 0.208 0.000 0.863 504 R HN 0.247 nan 8.270 nan 0.000 0.444 505 L N -0.127 121.086 121.223 -0.017 0.000 1.994 505 L HA -0.209 4.132 4.340 0.001 0.000 0.208 505 L C 1.430 178.273 176.870 -0.045 0.000 1.071 505 L CA 1.982 56.788 54.840 -0.057 0.000 0.745 505 L CB -0.482 41.485 42.059 -0.154 0.000 0.892 505 L HN 0.228 nan 8.230 nan 0.000 0.431 506 D N -0.277 120.075 120.400 -0.080 0.000 2.133 506 D HA -0.281 4.360 4.640 0.001 0.000 0.195 506 D C 1.934 178.313 176.300 0.133 0.000 0.997 506 D CA 1.579 55.562 54.000 -0.029 0.000 0.840 506 D CB -0.016 40.723 40.800 -0.101 0.000 0.947 506 D HN 0.469 nan 8.370 nan 0.000 0.452 507 E N 0.759 120.994 120.200 0.059 0.000 2.031 507 E HA -0.192 4.159 4.350 0.001 0.000 0.193 507 E C 1.796 178.414 176.600 0.029 0.000 0.994 507 E CA 1.030 57.459 56.400 0.049 0.000 0.800 507 E CB 0.038 29.757 29.700 0.031 0.000 0.752 507 E HN 0.278 nan 8.360 nan 0.000 0.447 508 E N -0.498 119.710 120.200 0.013 0.000 2.160 508 E HA -0.156 4.195 4.350 0.001 0.000 0.195 508 E C 1.641 178.231 176.600 -0.016 0.000 0.991 508 E CA 1.619 58.013 56.400 -0.009 0.000 0.810 508 E CB -0.029 29.658 29.700 -0.022 0.000 0.742 508 E HN 0.421 nan 8.360 nan 0.000 0.466 509 T N -2.187 112.377 114.554 0.017 0.000 3.186 509 T HA 0.211 4.562 4.350 0.001 0.000 0.257 509 T C 1.266 175.956 174.700 -0.016 0.000 1.029 509 T CA -0.392 61.708 62.100 0.001 0.000 0.916 509 T CB 0.324 69.201 68.868 0.015 0.000 1.041 509 T HN -0.046 nan 8.240 nan 0.000 0.562 510 R N 1.129 121.583 120.500 -0.078 0.000 2.275 510 R HA 0.234 4.575 4.340 0.001 0.000 0.199 510 R C 1.298 177.460 176.300 -0.230 0.000 0.989 510 R CA 0.095 56.007 56.100 -0.313 0.000 1.016 510 R CB -0.415 29.815 30.300 -0.116 0.000 0.918 510 R HN 0.454 nan 8.270 nan 0.000 0.473 511 G N 1.545 110.273 108.800 -0.121 0.000 2.327 511 G HA2 0.010 3.971 3.960 0.001 0.000 0.278 511 G HA3 0.010 3.971 3.960 0.001 0.000 0.278 511 G C -0.225 174.634 174.900 -0.069 0.000 1.145 511 G CA -0.311 44.746 45.100 -0.071 0.000 1.097 511 G HN 0.233 nan 8.290 nan 0.000 0.430 512 M N 2.474 122.034 119.600 -0.067 0.000 2.249 512 M HA 0.134 4.615 4.480 0.001 0.000 0.340 512 M C 1.287 177.588 176.300 0.000 0.000 1.166 512 M CA 0.574 55.848 55.300 -0.043 0.000 1.115 512 M CB 0.679 33.254 32.600 -0.041 0.000 1.606 512 M HN 0.877 nan 8.290 nan 0.000 0.448 513 Q N 1.790 121.606 119.800 0.026 0.000 2.858 513 Q HA -0.315 4.026 4.340 0.001 0.000 0.191 513 Q C 0.705 176.754 176.000 0.082 0.000 2.796 513 Q CA 2.572 58.404 55.803 0.047 0.000 0.359 513 Q CB -1.734 27.020 28.738 0.027 0.000 0.330 513 Q HN 0.943 nan 8.270 nan 0.000 0.511 514 A N -1.059 121.803 122.820 0.071 0.000 1.831 514 A HA 0.022 4.343 4.320 0.001 0.000 0.213 514 A C 1.899 179.595 177.584 0.188 0.000 1.223 514 A CA 2.687 54.783 52.037 0.098 0.000 0.604 514 A CB -0.608 18.424 19.000 0.054 0.000 0.878 514 A HN 0.986 nan 8.150 nan 0.000 0.450 515 T N -2.528 112.079 114.554 0.088 0.000 3.003 515 T HA 0.048 4.399 4.350 0.001 0.000 0.261 515 T C 0.948 175.516 174.700 -0.220 0.000 1.003 515 T CA 0.778 62.861 62.100 -0.028 0.000 0.917 515 T CB 0.037 68.868 68.868 -0.062 0.000 1.084 515 T HN 0.520 nan 8.240 nan 0.000 0.522 516 D N 1.886 122.235 120.400 -0.086 0.000 2.392 516 D HA -0.176 4.465 4.640 0.001 0.000 0.228 516 D C 1.618 177.903 176.300 -0.024 0.000 1.003 516 D CA 0.445 54.379 54.000 -0.109 0.000 0.917 516 D CB -0.639 40.081 40.800 -0.134 0.000 0.890 516 D HN 0.701 nan 8.370 nan 0.000 0.532 517 Y N 0.627 120.951 120.300 0.041 0.000 2.333 517 Y HA -0.008 4.543 4.550 0.001 0.000 0.290 517 Y C 1.631 177.575 175.900 0.072 0.000 1.144 517 Y CA 1.235 59.364 58.100 0.048 0.000 1.228 517 Y CB -1.206 37.273 38.460 0.032 0.000 0.985 517 Y HN -0.038 nan 8.280 nan 0.000 0.542 518 N N -0.486 117.926 118.700 -0.481 0.000 2.270 518 N HA -0.089 4.652 4.740 0.001 0.000 0.198 518 N C 0.033 175.511 175.510 -0.053 0.000 1.117 518 N CA -0.063 52.845 53.050 -0.236 0.000 0.845 518 N CB -0.329 37.913 38.487 -0.409 0.000 0.980 518 N HN 0.434 nan 8.380 nan 0.000 0.486 519 H N 1.173 120.166 119.070 -0.127 0.000 3.198 519 H HA 0.016 4.573 4.556 0.001 0.000 0.255 519 H C -0.730 174.582 175.328 -0.027 0.000 1.729 519 H CA -0.285 55.719 56.048 -0.073 0.000 1.495 519 H CB -0.264 29.461 29.762 -0.062 0.000 1.807 519 H HN 0.326 nan 8.280 nan 0.000 0.554 520 D N 2.904 123.275 120.400 -0.047 0.000 2.382 520 D HA -0.088 4.553 4.640 0.001 0.000 0.245 520 D C 1.417 177.677 176.300 -0.067 0.000 1.120 520 D CA -0.286 53.703 54.000 -0.018 0.000 0.890 520 D CB 1.887 42.704 40.800 0.027 0.000 1.201 520 D HN 0.440 nan 8.370 nan 0.000 0.433 521 L N 2.853 124.064 121.223 -0.020 0.000 2.072 521 L HA -0.015 4.326 4.340 0.001 0.000 0.205 521 L C 0.177 177.031 176.870 -0.026 0.000 1.079 521 L CA 1.317 56.141 54.840 -0.026 0.000 0.752 521 L CB 0.354 42.414 42.059 0.002 0.000 0.906 521 L HN 0.171 nan 8.230 nan 0.000 0.436 522 V N 1.390 121.305 119.914 0.002 0.000 2.435 522 V HA 0.530 4.650 4.120 0.001 0.000 0.290 522 V C 0.071 176.200 176.094 0.058 0.000 1.030 522 V CA -0.653 61.659 62.300 0.021 0.000 0.881 522 V CB 1.376 33.217 31.823 0.030 0.000 0.983 522 V HN 0.283 nan 8.190 nan 0.000 0.445 523 R N 0.000 120.547 120.500 0.078 0.000 2.786 523 R HA 0.000 4.341 4.340 0.001 0.000 0.208 523 R CA 0.000 56.225 56.100 0.209 0.000 0.921 523 R CB 0.000 30.330 30.300 0.050 0.000 0.687 523 R HN 0.000 nan 8.270 nan 0.000 0.535