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 1t1u_1_A DATA FIRST_RESID 20 DATA SEQUENCE ELDLPKLPVP PLQQTLATYL QCMQHLVPEE QFRKSQAIVK RFGAPGGLGE DATA SEQUENCE TLQEKLLERQ EKTANWVSEY WLNDMYLNNR LALPVNSSPA VIFARQHFQD DATA SEQUENCE TNDQLRFAAC LISGVLSYKT LLDSHSLPTD WAKGQLSGQP LCMKQYYRLF DATA SEQUENCE SSYRLPGHTQ DTLVAQKSSI MPEPEHVIVA CCNQFFVLDV VINFRRLSEG DATA SEQUENCE DLFTQLRKIV KMASNEDERL PPIGLLTSDG RSEWAKARTV LLKDSTNRDS DATA SEQUENCE LDMIERCICL VCLDGPGTGE LSDTHRALQL LHGGGCSLNG ANRWYDKSLQ DATA SEQUENCE FVVGRDGTCG VVCEHSPFDG IVLVQCTEHL LKHMMTSNKK LVRADSVSEL DATA SEQUENCE PAPRRLRWKC SPETQGHLAS SAEKLQRIVK NLDFIVYKFD NYGKTFIKKQ DATA SEQUENCE KYSPDGFIQV ALQLAYYRLY QRLVPTYESA SIRRFQEGRV DNIRSATPEA DATA SEQUENCE LAFVQAMTDH KAAMPASEKL QLLQTAMQAQ TEYTVMAITG MAIDNHLLAL DATA SEQUENCE RELARDLCKE PPEMFMDETY LMSNRFVLST SQVPTTMEMF CCYGPVVPNG DATA SEQUENCE YGACYNPQPE AITFCISSFH SCKETSSVEF AEAVGASLVD MRDLCSS 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 20 E HA 0.000 nan 4.350 nan 0.000 0.291 20 E C 0.000 176.594 176.600 -0.010 0.000 1.382 20 E CA 0.000 56.390 56.400 -0.017 0.000 0.976 20 E CB 0.000 29.680 29.700 -0.034 0.000 0.812 21 L N 1.839 123.055 121.223 -0.011 0.000 2.456 21 L HA -0.008 4.328 4.340 -0.007 0.000 0.224 21 L C 1.044 177.915 176.870 0.001 0.000 1.148 21 L CA 0.863 55.702 54.840 -0.002 0.000 0.825 21 L CB -0.131 41.926 42.059 -0.004 0.000 0.937 21 L HN 0.228 nan 8.230 nan 0.000 0.450 22 D N -0.311 120.085 120.400 -0.007 0.000 2.339 22 D HA 0.150 4.786 4.640 -0.007 0.000 0.217 22 D C 0.848 177.139 176.300 -0.014 0.000 1.050 22 D CA 0.239 54.235 54.000 -0.007 0.000 0.856 22 D CB 0.273 41.066 40.800 -0.011 0.000 0.922 22 D HN 0.180 nan 8.370 nan 0.000 0.518 23 L N 1.087 122.301 121.223 -0.014 0.000 2.464 23 L HA 0.195 4.531 4.340 -0.007 0.000 0.264 23 L C -1.872 175.012 176.870 0.024 0.000 1.199 23 L CA -1.514 53.312 54.840 -0.024 0.000 0.818 23 L CB 0.311 42.354 42.059 -0.027 0.000 1.102 23 L HN -0.289 nan 8.230 nan 0.000 0.473 24 P HA 0.091 nan 4.420 nan 0.000 0.271 24 P C -1.032 176.416 177.300 0.247 0.000 1.218 24 P CA -0.024 63.182 63.100 0.176 0.000 0.780 24 P CB 0.554 32.427 31.700 0.289 0.000 0.901 25 K N 1.495 122.001 120.400 0.176 0.000 2.118 25 K HA 0.264 4.580 4.320 -0.007 0.000 0.264 25 K C -0.057 176.558 176.600 0.024 0.000 1.000 25 K CA -0.846 55.515 56.287 0.123 0.000 0.929 25 K CB 0.282 32.836 32.500 0.089 0.000 1.021 25 K HN 0.282 nan 8.250 nan 0.000 0.463 26 L N 4.705 125.854 121.223 -0.123 0.000 2.601 26 L HA 0.054 4.390 4.340 -0.007 0.000 0.277 26 L C -2.336 174.457 176.870 -0.128 0.000 1.219 26 L CA -0.871 53.683 54.840 -0.477 0.000 0.915 26 L CB -0.170 41.591 42.059 -0.498 0.000 1.160 26 L HN 0.453 nan 8.230 nan 0.000 0.494 27 P HA 0.070 nan 4.420 nan 0.000 0.270 27 P C -1.200 176.144 177.300 0.072 0.000 1.227 27 P CA -0.061 62.981 63.100 -0.097 0.000 0.788 27 P CB 0.537 32.125 31.700 -0.186 0.000 0.926 28 V N 2.943 122.776 119.914 -0.134 0.000 2.350 28 V HA 0.284 4.399 4.120 -0.007 0.000 0.285 28 V C -2.017 173.855 176.094 -0.370 0.000 1.014 28 V CA -1.896 60.153 62.300 -0.419 0.000 0.831 28 V CB 0.970 32.433 31.823 -0.600 0.000 1.000 28 V HN 0.533 nan 8.190 nan 0.000 0.433 29 P HA 0.153 nan 4.420 nan 0.000 0.272 29 P C -2.665 174.494 177.300 -0.235 0.000 1.243 29 P CA -0.733 62.198 63.100 -0.282 0.000 0.803 29 P CB -0.222 31.348 31.700 -0.217 0.000 0.974 30 P HA 0.094 nan 4.420 nan 0.000 0.278 30 P C 0.609 177.971 177.300 0.103 0.000 1.238 30 P CA -0.234 62.861 63.100 -0.008 0.000 0.794 30 P CB 0.441 32.145 31.700 0.005 0.000 0.955 31 L N 2.929 124.226 121.223 0.124 0.000 2.046 31 L HA -0.184 4.152 4.340 -0.007 0.000 0.208 31 L C 1.814 178.763 176.870 0.130 0.000 1.077 31 L CA 2.128 57.078 54.840 0.183 0.000 0.747 31 L CB -0.969 41.133 42.059 0.071 0.000 0.896 31 L HN 0.249 nan 8.230 nan 0.000 0.432 32 Q N -0.351 119.498 119.800 0.082 0.000 2.224 32 Q HA -0.220 4.116 4.340 -0.007 0.000 0.203 32 Q C 2.130 178.190 176.000 0.100 0.000 0.970 32 Q CA 1.610 57.461 55.803 0.080 0.000 0.865 32 Q CB -0.411 28.358 28.738 0.052 0.000 0.922 32 Q HN 0.762 nan 8.270 nan 0.000 0.445 33 Q N -0.230 119.627 119.800 0.096 0.000 2.230 33 Q HA -0.089 4.247 4.340 -0.007 0.000 0.202 33 Q C 1.274 177.358 176.000 0.139 0.000 0.963 33 Q CA 1.353 57.214 55.803 0.095 0.000 0.866 33 Q CB 0.234 29.009 28.738 0.062 0.000 0.931 33 Q HN 0.243 nan 8.270 nan 0.000 0.452 34 T N 1.361 116.028 114.554 0.188 0.000 2.812 34 T HA -0.001 4.345 4.350 -0.007 0.000 0.264 34 T C 1.805 176.648 174.700 0.238 0.000 1.042 34 T CA 0.843 63.088 62.100 0.242 0.000 1.140 34 T CB -0.061 69.032 68.868 0.376 0.000 0.870 34 T HN 0.247 nan 8.240 nan 0.000 0.445 35 L N 0.758 122.107 121.223 0.210 0.000 2.083 35 L HA -0.056 4.280 4.340 -0.007 0.000 0.209 35 L C 2.991 180.012 176.870 0.251 0.000 1.083 35 L CA 1.199 56.186 54.840 0.244 0.000 0.752 35 L CB -0.653 41.523 42.059 0.195 0.000 0.899 35 L HN 0.238 nan 8.230 nan 0.000 0.433 36 A N -0.440 122.493 122.820 0.187 0.000 1.897 36 A HA -0.137 4.178 4.320 -0.007 0.000 0.215 36 A C 2.363 180.054 177.584 0.178 0.000 1.181 36 A CA 1.959 54.091 52.037 0.159 0.000 0.620 36 A CB -0.744 18.326 19.000 0.118 0.000 0.821 36 A HN 0.331 nan 8.150 nan 0.000 0.443 37 T N -1.212 113.457 114.554 0.193 0.000 2.746 37 T HA -0.175 4.171 4.350 -0.007 0.000 0.267 37 T C 1.795 176.658 174.700 0.273 0.000 1.039 37 T CA 1.683 63.907 62.100 0.206 0.000 1.142 37 T CB -0.469 68.502 68.868 0.173 0.000 0.866 37 T HN 0.562 nan 8.240 nan 0.000 0.444 38 Y N 1.983 122.392 120.300 0.181 0.000 2.114 38 Y HA -0.149 4.397 4.550 -0.007 0.000 0.282 38 Y C 1.939 177.957 175.900 0.197 0.000 1.165 38 Y CA 1.192 59.403 58.100 0.186 0.000 1.148 38 Y CB -0.713 37.841 38.460 0.158 0.000 0.972 38 Y HN 0.157 nan 8.280 nan 0.000 0.504 39 L N -0.043 121.179 121.223 -0.002 0.000 2.156 39 L HA -0.185 4.151 4.340 -0.007 0.000 0.208 39 L C 2.670 179.645 176.870 0.175 0.000 1.095 39 L CA 1.608 56.475 54.840 0.044 0.000 0.770 39 L CB -0.611 41.537 42.059 0.148 0.000 0.914 39 L HN 0.297 nan 8.230 nan 0.000 0.439 40 Q N -0.506 119.380 119.800 0.143 0.000 2.079 40 Q HA -0.226 4.110 4.340 -0.007 0.000 0.200 40 Q C 2.512 178.588 176.000 0.127 0.000 0.974 40 Q CA 2.026 57.900 55.803 0.118 0.000 0.840 40 Q CB -0.154 28.661 28.738 0.128 0.000 0.898 40 Q HN 0.523 nan 8.270 nan 0.000 0.430 41 C N 0.278 119.670 119.300 0.153 0.000 2.393 41 C HA -0.179 4.276 4.460 -0.007 0.000 0.276 41 C C 2.575 177.584 174.990 0.031 0.000 1.215 41 C CA 0.953 60.070 59.018 0.165 0.000 1.743 41 C CB -0.660 27.200 27.740 0.200 0.000 2.044 41 C HN 0.644 nan 8.230 nan 0.000 0.464 42 M N -0.079 119.486 119.600 -0.058 0.000 2.447 42 M HA -0.032 4.444 4.480 -0.007 0.000 0.264 42 M C 1.999 178.182 176.300 -0.195 0.000 1.095 42 M CA 0.890 56.101 55.300 -0.147 0.000 1.125 42 M CB -1.616 30.901 32.600 -0.139 0.000 1.389 42 M HN 0.571 nan 8.290 nan 0.000 0.459 43 Q N 0.891 120.536 119.800 -0.258 0.000 2.112 43 Q HA -0.219 4.117 4.340 -0.007 0.000 0.206 43 Q C 1.709 177.513 176.000 -0.326 0.000 0.987 43 Q CA 1.975 57.377 55.803 -0.667 0.000 0.858 43 Q CB -0.180 27.987 28.738 -0.950 0.000 0.905 43 Q HN 0.673 nan 8.270 nan 0.000 0.420 44 H N -1.114 117.834 119.070 -0.203 0.000 2.547 44 H HA 0.080 4.632 4.556 -0.006 0.000 0.266 44 H C 1.146 176.441 175.328 -0.055 0.000 0.988 44 H CA 0.337 56.315 56.048 -0.116 0.000 1.147 44 H CB 0.041 29.757 29.762 -0.076 0.000 1.365 44 H HN 0.353 nan 8.280 nan 0.000 0.589 45 L N 1.154 122.136 121.223 -0.401 0.000 2.693 45 L HA 0.198 4.534 4.340 -0.007 0.000 0.235 45 L C 0.253 177.052 176.870 -0.117 0.000 1.127 45 L CA -0.268 54.414 54.840 -0.264 0.000 0.914 45 L CB 0.821 42.677 42.059 -0.338 0.000 1.193 45 L HN 0.094 nan 8.230 nan 0.000 0.502 46 V N -4.668 115.201 119.914 -0.075 0.000 3.102 46 V HA 0.668 4.784 4.120 -0.007 0.000 0.312 46 V C -2.634 173.467 176.094 0.013 0.000 1.135 46 V CA -2.468 59.826 62.300 -0.010 0.000 1.022 46 V CB 1.024 32.868 31.823 0.035 0.000 1.056 46 V HN -0.136 nan 8.190 nan 0.000 0.436 47 P HA 0.215 nan 4.420 nan 0.000 0.267 47 P C 0.725 178.064 177.300 0.066 0.000 1.200 47 P CA -0.001 63.120 63.100 0.035 0.000 0.772 47 P CB 0.519 32.236 31.700 0.029 0.000 0.855 48 E N 0.930 121.165 120.200 0.058 0.000 2.049 48 E HA -0.286 4.060 4.350 -0.007 0.000 0.198 48 E C 1.560 178.225 176.600 0.107 0.000 1.007 48 E CA 1.414 57.866 56.400 0.086 0.000 0.809 48 E CB -0.077 29.656 29.700 0.055 0.000 0.749 48 E HN 0.521 nan 8.360 nan 0.000 0.450 49 E N 1.266 121.506 120.200 0.066 0.000 2.031 49 E HA -0.233 4.113 4.350 -0.007 0.000 0.193 49 E C 1.986 178.614 176.600 0.047 0.000 0.994 49 E CA 1.525 57.955 56.400 0.050 0.000 0.800 49 E CB -0.349 29.369 29.700 0.029 0.000 0.752 49 E HN 0.235 nan 8.360 nan 0.000 0.447 50 Q N -0.982 118.846 119.800 0.046 0.000 2.118 50 Q HA -0.251 4.085 4.340 -0.007 0.000 0.211 50 Q C 2.161 178.183 176.000 0.037 0.000 0.998 50 Q CA 2.219 58.042 55.803 0.033 0.000 0.872 50 Q CB -0.499 28.262 28.738 0.038 0.000 0.925 50 Q HN 0.367 nan 8.270 nan 0.000 0.414 51 F N 0.932 120.862 119.950 -0.032 0.000 2.025 51 F HA -0.282 4.241 4.527 -0.007 0.000 0.297 51 F C 2.573 178.354 175.800 -0.030 0.000 1.132 51 F CA 2.351 60.326 58.000 -0.043 0.000 1.191 51 F CB -0.583 38.393 39.000 -0.041 0.000 0.963 51 F HN 0.068 nan 8.300 nan 0.000 0.481 52 R N 0.499 120.990 120.500 -0.014 0.000 2.159 52 R HA -0.292 4.044 4.340 -0.007 0.000 0.249 52 R C 2.243 178.460 176.300 -0.139 0.000 1.136 52 R CA 2.634 58.694 56.100 -0.067 0.000 0.951 52 R CB -0.400 29.909 30.300 0.014 0.000 0.876 52 R HN 0.317 nan 8.270 nan 0.000 0.440 53 K N -0.487 119.852 120.400 -0.102 0.000 2.063 53 K HA -0.078 4.238 4.320 -0.007 0.000 0.208 53 K C 2.205 178.713 176.600 -0.154 0.000 1.048 53 K CA 1.877 58.104 56.287 -0.099 0.000 0.928 53 K CB -0.022 32.443 32.500 -0.058 0.000 0.713 53 K HN 0.165 nan 8.250 nan 0.000 0.442 54 S N 1.264 116.824 115.700 -0.232 0.000 2.383 54 S HA -0.163 4.303 4.470 -0.007 0.000 0.227 54 S C 1.862 176.254 174.600 -0.347 0.000 1.026 54 S CA 1.105 59.138 58.200 -0.279 0.000 0.981 54 S CB -0.159 62.846 63.200 -0.325 0.000 0.818 54 S HN 0.328 nan 8.310 nan 0.000 0.472 55 Q N 0.880 120.387 119.800 -0.489 0.000 2.124 55 Q HA -0.055 4.281 4.340 -0.007 0.000 0.202 55 Q C 2.529 178.426 176.000 -0.171 0.000 0.977 55 Q CA 1.407 56.990 55.803 -0.367 0.000 0.850 55 Q CB -0.373 28.143 28.738 -0.369 0.000 0.901 55 Q HN 0.615 nan 8.270 nan 0.000 0.429 56 A N 0.967 123.700 122.820 -0.145 0.000 1.898 56 A HA -0.137 4.179 4.320 -0.007 0.000 0.216 56 A C 2.050 179.595 177.584 -0.065 0.000 1.181 56 A CA 0.938 52.926 52.037 -0.083 0.000 0.620 56 A CB -0.548 18.410 19.000 -0.069 0.000 0.819 56 A HN 0.266 nan 8.150 nan 0.000 0.442 57 I N -0.517 120.002 120.570 -0.085 0.000 2.179 57 I HA -0.217 3.949 4.170 -0.007 0.000 0.242 57 I C 2.306 178.391 176.117 -0.053 0.000 1.088 57 I CA 1.138 62.391 61.300 -0.079 0.000 1.357 57 I CB -0.251 37.681 38.000 -0.115 0.000 1.051 57 I HN 0.147 nan 8.210 nan 0.000 0.409 58 V N 0.993 120.874 119.914 -0.054 0.000 2.515 58 V HA -0.270 3.846 4.120 -0.007 0.000 0.250 58 V C 2.492 178.627 176.094 0.068 0.000 1.058 58 V CA 1.794 64.104 62.300 0.017 0.000 1.064 58 V CB -0.609 31.235 31.823 0.035 0.000 0.675 58 V HN 0.432 nan 8.190 nan 0.000 0.461 59 K N 0.399 120.809 120.400 0.016 0.000 2.103 59 K HA -0.154 4.162 4.320 -0.007 0.000 0.204 59 K C 2.339 178.951 176.600 0.020 0.000 1.052 59 K CA 1.175 57.471 56.287 0.016 0.000 0.945 59 K CB -0.055 32.441 32.500 -0.007 0.000 0.722 59 K HN 0.450 nan 8.250 nan 0.000 0.443 60 R N -0.329 120.182 120.500 0.019 0.000 2.062 60 R HA -0.102 4.234 4.340 -0.007 0.000 0.229 60 R C 2.332 178.660 176.300 0.047 0.000 1.128 60 R CA 1.193 57.303 56.100 0.017 0.000 0.960 60 R CB -0.908 29.397 30.300 0.008 0.000 0.855 60 R HN 0.149 nan 8.270 nan 0.000 0.432 61 F N 2.109 122.000 119.950 -0.098 0.000 2.115 61 F HA -0.147 4.376 4.527 -0.007 0.000 0.300 61 F C 1.749 177.496 175.800 -0.089 0.000 1.092 61 F CA 1.944 59.872 58.000 -0.120 0.000 1.245 61 F CB -0.342 38.545 39.000 -0.189 0.000 0.995 61 F HN 0.104 nan 8.300 nan 0.000 0.481 62 G N -0.811 107.974 108.800 -0.026 0.000 3.690 62 G HA2 0.492 4.448 3.960 -0.007 0.000 0.283 62 G HA3 0.492 4.448 3.960 -0.007 0.000 0.283 62 G C 0.231 175.081 174.900 -0.085 0.000 1.057 62 G CA 0.208 45.229 45.100 -0.131 0.000 0.821 62 G HN 0.570 nan 8.290 nan 0.000 0.526 63 A N 0.770 123.547 122.820 -0.071 0.000 2.310 63 A HA 0.637 4.953 4.320 -0.007 0.000 0.260 63 A C -2.301 175.242 177.584 -0.068 0.000 1.112 63 A CA -0.942 51.065 52.037 -0.050 0.000 0.804 63 A CB 0.090 19.068 19.000 -0.037 0.000 1.081 63 A HN 0.158 nan 8.150 nan 0.000 0.499 64 P HA 0.326 nan 4.420 nan 0.000 0.271 64 P C 0.780 178.047 177.300 -0.055 0.000 1.226 64 P CA 1.571 64.641 63.100 -0.050 0.000 0.765 64 P CB 0.703 32.383 31.700 -0.033 0.000 0.835 65 G N 2.231 110.993 108.800 -0.064 0.000 2.199 65 G HA2 -0.196 3.760 3.960 -0.007 0.000 0.254 65 G HA3 -0.196 3.760 3.960 -0.007 0.000 0.254 65 G C 0.723 175.575 174.900 -0.079 0.000 0.982 65 G CA -0.074 44.989 45.100 -0.061 0.000 0.632 65 G HN 0.851 nan 8.290 nan 0.000 0.529 66 G N -0.557 108.180 108.800 -0.105 0.000 2.527 66 G HA2 0.449 4.405 3.960 -0.007 0.000 0.279 66 G HA3 0.449 4.405 3.960 -0.007 0.000 0.279 66 G C 1.249 176.043 174.900 -0.177 0.000 1.374 66 G CA 0.366 45.386 45.100 -0.134 0.000 1.053 66 G HN 0.905 nan 8.290 nan 0.000 0.539 67 L N 0.253 121.343 121.223 -0.222 0.000 2.044 67 L HA 0.168 4.503 4.340 -0.007 0.000 0.205 67 L C 2.867 179.453 176.870 -0.473 0.000 1.075 67 L CA 2.648 57.346 54.840 -0.237 0.000 0.747 67 L CB -0.983 41.025 42.059 -0.085 0.000 0.903 67 L HN 0.567 nan 8.230 nan 0.000 0.435 68 G N -1.035 107.174 108.800 -0.985 0.000 2.440 68 G HA2 -0.264 3.692 3.960 -0.007 0.000 0.218 68 G HA3 -0.264 3.692 3.960 -0.007 0.000 0.218 68 G C 1.441 176.043 174.900 -0.497 0.000 1.154 68 G CA 0.876 45.225 45.100 -1.252 0.000 0.767 68 G HN 0.532 nan 8.290 nan 0.000 0.552 69 E N -0.318 119.681 120.200 -0.335 0.000 2.150 69 E HA -0.063 4.283 4.350 -0.007 0.000 0.193 69 E C 2.700 179.218 176.600 -0.136 0.000 0.985 69 E CA 1.141 57.431 56.400 -0.184 0.000 0.814 69 E CB -0.102 29.516 29.700 -0.137 0.000 0.752 69 E HN 0.330 nan 8.360 nan 0.000 0.466 70 T N 1.499 115.968 114.554 -0.142 0.000 2.737 70 T HA -0.065 4.281 4.350 -0.007 0.000 0.265 70 T C 1.946 176.602 174.700 -0.074 0.000 1.038 70 T CA 0.640 62.686 62.100 -0.090 0.000 1.144 70 T CB -0.105 68.717 68.868 -0.077 0.000 0.866 70 T HN 0.084 nan 8.240 nan 0.000 0.434 71 L N 0.887 122.055 121.223 -0.092 0.000 2.046 71 L HA -0.159 4.177 4.340 -0.007 0.000 0.208 71 L C 2.850 179.697 176.870 -0.039 0.000 1.077 71 L CA 1.312 56.125 54.840 -0.044 0.000 0.747 71 L CB -0.556 41.496 42.059 -0.010 0.000 0.896 71 L HN 0.269 nan 8.230 nan 0.000 0.432 72 Q N 0.848 120.611 119.800 -0.062 0.000 2.014 72 Q HA -0.271 4.065 4.340 -0.007 0.000 0.207 72 Q C 1.916 177.887 176.000 -0.049 0.000 0.993 72 Q CA 2.079 57.862 55.803 -0.033 0.000 0.850 72 Q CB -0.128 28.589 28.738 -0.035 0.000 0.916 72 Q HN 0.348 nan 8.270 nan 0.000 0.417 73 E N -0.022 120.146 120.200 -0.052 0.000 2.086 73 E HA -0.216 4.130 4.350 -0.007 0.000 0.200 73 E C 1.826 178.405 176.600 -0.035 0.000 1.012 73 E CA 1.820 58.193 56.400 -0.045 0.000 0.812 73 E CB -0.068 29.605 29.700 -0.044 0.000 0.743 73 E HN 0.287 nan 8.360 nan 0.000 0.453 74 K N 0.130 120.516 120.400 -0.023 0.000 2.362 74 K HA -0.058 4.258 4.320 -0.007 0.000 0.200 74 K C 2.063 178.664 176.600 0.003 0.000 1.046 74 K CA 0.445 56.731 56.287 -0.002 0.000 0.952 74 K CB 0.009 32.516 32.500 0.012 0.000 0.753 74 K HN 0.241 nan 8.250 nan 0.000 0.466 75 L N 0.731 121.936 121.223 -0.031 0.000 2.095 75 L HA -0.082 4.254 4.340 -0.007 0.000 0.204 75 L C 1.982 178.769 176.870 -0.139 0.000 1.080 75 L CA 0.987 55.776 54.840 -0.084 0.000 0.759 75 L CB -0.086 41.882 42.059 -0.153 0.000 0.914 75 L HN 0.120 nan 8.230 nan 0.000 0.439 76 L N -0.412 120.737 121.223 -0.122 0.000 2.217 76 L HA -0.168 4.168 4.340 -0.007 0.000 0.211 76 L C 2.268 179.111 176.870 -0.045 0.000 1.107 76 L CA 0.730 55.506 54.840 -0.107 0.000 0.783 76 L CB -0.443 41.556 42.059 -0.100 0.000 0.919 76 L HN 0.233 nan 8.230 nan 0.000 0.442 77 E N 0.349 120.536 120.200 -0.022 0.000 2.048 77 E HA -0.297 4.049 4.350 -0.007 0.000 0.202 77 E C 2.400 179.012 176.600 0.020 0.000 1.021 77 E CA 1.612 58.014 56.400 0.002 0.000 0.825 77 E CB -0.055 29.651 29.700 0.010 0.000 0.756 77 E HN 0.253 nan 8.360 nan 0.000 0.454 78 R N 0.253 120.774 120.500 0.034 0.000 2.081 78 R HA -0.190 4.146 4.340 -0.007 0.000 0.235 78 R C 2.473 178.834 176.300 0.102 0.000 1.131 78 R CA 1.814 57.959 56.100 0.076 0.000 0.960 78 R CB -0.136 30.237 30.300 0.122 0.000 0.856 78 R HN 0.273 nan 8.270 nan 0.000 0.436 79 Q N 0.215 120.047 119.800 0.054 0.000 2.297 79 Q HA -0.145 4.191 4.340 -0.007 0.000 0.204 79 Q C 1.122 177.185 176.000 0.105 0.000 0.962 79 Q CA 1.308 57.193 55.803 0.137 0.000 0.879 79 Q CB 0.215 28.960 28.738 0.011 0.000 0.947 79 Q HN 0.420 nan 8.270 nan 0.000 0.462 80 E N -0.021 120.209 120.200 0.051 0.000 2.371 80 E HA -0.067 4.279 4.350 -0.007 0.000 0.194 80 E C 1.524 178.149 176.600 0.041 0.000 1.012 80 E CA 0.341 56.764 56.400 0.038 0.000 0.860 80 E CB 0.291 30.002 29.700 0.017 0.000 0.811 80 E HN 0.189 nan 8.360 nan 0.000 0.502 81 K N 0.649 121.078 120.400 0.048 0.000 2.323 81 K HA -0.004 4.312 4.320 -0.007 0.000 0.197 81 K C 0.282 176.907 176.600 0.043 0.000 1.043 81 K CA 0.830 57.142 56.287 0.041 0.000 0.997 81 K CB 0.597 33.121 32.500 0.040 0.000 0.807 81 K HN 0.039 nan 8.250 nan 0.000 0.497 82 T N -4.014 110.576 114.554 0.060 0.000 2.906 82 T HA 0.528 4.874 4.350 -0.007 0.000 0.295 82 T C 0.841 175.573 174.700 0.053 0.000 1.061 82 T CA -0.510 61.620 62.100 0.050 0.000 1.000 82 T CB 1.882 70.780 68.868 0.051 0.000 1.103 82 T HN -0.031 nan 8.240 nan 0.000 0.486 83 A N 1.676 124.512 122.820 0.028 0.000 1.908 83 A HA 0.042 4.358 4.320 -0.007 0.000 0.218 83 A C 1.198 178.786 177.584 0.007 0.000 1.181 83 A CA 1.290 53.339 52.037 0.021 0.000 0.627 83 A CB -0.611 18.395 19.000 0.009 0.000 0.818 83 A HN 0.876 nan 8.150 nan 0.000 0.445 84 N N -0.545 118.135 118.700 -0.034 0.000 2.549 84 N HA 0.105 4.841 4.740 -0.007 0.000 0.281 84 N C 0.393 175.801 175.510 -0.170 0.000 1.084 84 N CA -0.551 52.402 53.050 -0.161 0.000 0.862 84 N CB 0.575 38.947 38.487 -0.191 0.000 1.333 84 N HN 0.526 nan 8.380 nan 0.000 0.523 85 W N 2.923 124.203 121.300 -0.033 0.000 2.538 85 W HA 0.067 4.722 4.660 -0.008 0.000 0.254 85 W C 0.380 176.875 176.519 -0.041 0.000 1.249 85 W CA 0.033 57.358 57.345 -0.034 0.000 1.253 85 W CB -0.483 28.983 29.460 0.010 0.000 1.130 85 W HN 0.279 nan 8.180 nan 0.000 0.618 86 V N 0.780 120.420 119.914 -0.457 0.000 3.643 86 V HA -0.061 4.055 4.120 -0.007 0.000 0.280 86 V C 2.186 178.222 176.094 -0.097 0.000 1.351 86 V CA 1.041 63.205 62.300 -0.226 0.000 1.073 86 V CB 0.159 31.665 31.823 -0.528 0.000 0.863 86 V HN 0.019 nan 8.190 nan 0.000 0.436 87 S N 0.404 116.014 115.700 -0.150 0.000 2.377 87 S HA -0.319 4.147 4.470 -0.007 0.000 0.224 87 S C 1.791 176.435 174.600 0.073 0.000 1.042 87 S CA 2.477 60.665 58.200 -0.020 0.000 1.086 87 S CB -0.336 62.836 63.200 -0.045 0.000 0.995 87 S HN 0.795 nan 8.310 nan 0.000 0.428 88 E N -0.055 120.117 120.200 -0.046 0.000 2.035 88 E HA -0.227 4.119 4.350 -0.007 0.000 0.204 88 E C 1.933 178.578 176.600 0.075 0.000 1.025 88 E CA 1.865 58.240 56.400 -0.042 0.000 0.835 88 E CB -0.338 29.251 29.700 -0.185 0.000 0.764 88 E HN 0.722 nan 8.360 nan 0.000 0.457 89 Y N -1.257 119.112 120.300 0.116 0.000 2.114 89 Y HA -0.280 4.265 4.550 -0.007 0.000 0.282 89 Y C 2.356 178.319 175.900 0.105 0.000 1.165 89 Y CA 0.902 59.063 58.100 0.102 0.000 1.148 89 Y CB -0.569 37.969 38.460 0.129 0.000 0.972 89 Y HN 0.379 nan 8.280 nan 0.000 0.504 90 W N 0.768 122.153 121.300 0.142 0.000 2.355 90 W HA -0.232 4.425 4.660 -0.005 0.000 0.309 90 W C 2.283 178.825 176.519 0.039 0.000 1.206 90 W CA 1.479 58.861 57.345 0.063 0.000 1.284 90 W CB -0.620 28.852 29.460 0.020 0.000 1.145 90 W HN 0.066 nan 8.180 nan 0.000 0.502 91 L N 1.809 123.166 121.223 0.222 0.000 1.990 91 L HA -0.300 4.036 4.340 -0.007 0.000 0.213 91 L C 2.045 178.857 176.870 -0.097 0.000 1.072 91 L CA 2.429 57.302 54.840 0.055 0.000 0.755 91 L CB -1.345 40.828 42.059 0.191 0.000 0.889 91 L HN -0.023 nan 8.230 nan 0.000 0.432 92 N N -0.217 118.467 118.700 -0.026 0.000 2.084 92 N HA -0.216 4.520 4.740 -0.007 0.000 0.190 92 N C 1.662 177.090 175.510 -0.136 0.000 1.030 92 N CA 1.751 54.775 53.050 -0.043 0.000 0.849 92 N CB -0.507 37.996 38.487 0.027 0.000 1.012 92 N HN 0.549 nan 8.380 nan 0.000 0.423 93 D N -0.447 119.848 120.400 -0.175 0.000 2.183 93 D HA -0.056 4.579 4.640 -0.007 0.000 0.203 93 D C 1.875 177.926 176.300 -0.415 0.000 0.969 93 D CA 0.652 54.515 54.000 -0.228 0.000 0.842 93 D CB 0.097 40.807 40.800 -0.149 0.000 0.957 93 D HN 0.023 nan 8.370 nan 0.000 0.484 94 M N -1.436 117.726 119.600 -0.729 0.000 2.248 94 M HA 0.064 4.540 4.480 -0.007 0.000 0.265 94 M C 0.644 176.252 176.300 -1.153 0.000 1.079 94 M CA 1.514 56.138 55.300 -1.128 0.000 1.150 94 M CB 0.000 31.455 32.600 -1.910 0.000 1.366 94 M HN 0.178 nan 8.290 nan 0.000 0.433 95 Y N -2.425 117.604 120.300 -0.453 0.000 3.011 95 Y HA 0.258 4.803 4.550 -0.007 0.000 0.231 95 Y C 1.703 177.483 175.900 -0.200 0.000 0.983 95 Y CA -0.149 57.765 58.100 -0.310 0.000 1.429 95 Y CB -0.142 38.127 38.460 -0.317 0.000 1.491 95 Y HN -0.144 nan 8.280 nan 0.000 0.444 96 L N 0.796 122.017 121.223 -0.004 0.000 2.191 96 L HA -0.199 4.137 4.340 -0.007 0.000 0.212 96 L C 1.307 178.157 176.870 -0.033 0.000 1.103 96 L CA 1.152 55.988 54.840 -0.008 0.000 0.769 96 L CB -0.419 41.643 42.059 0.006 0.000 0.908 96 L HN 0.333 nan 8.230 nan 0.000 0.438 97 N N -0.548 118.113 118.700 -0.065 0.000 2.409 97 N HA -0.075 4.661 4.740 -0.007 0.000 0.179 97 N C 0.744 176.211 175.510 -0.072 0.000 1.032 97 N CA 0.320 53.332 53.050 -0.063 0.000 0.898 97 N CB -0.458 37.985 38.487 -0.074 0.000 0.971 97 N HN 0.195 nan 8.380 nan 0.000 0.441 98 N N 2.010 120.655 118.700 -0.092 0.000 2.447 98 N HA -0.042 4.694 4.740 -0.007 0.000 0.263 98 N C 0.442 175.912 175.510 -0.066 0.000 1.226 98 N CA 0.162 53.157 53.050 -0.093 0.000 0.906 98 N CB 0.487 38.905 38.487 -0.115 0.000 1.060 98 N HN 0.005 nan 8.380 nan 0.000 0.468 99 R N 3.037 123.497 120.500 -0.067 0.000 2.362 99 R HA 0.236 4.572 4.340 -0.007 0.000 0.227 99 R C 0.217 176.478 176.300 -0.065 0.000 0.905 99 R CA -0.215 55.849 56.100 -0.060 0.000 1.067 99 R CB -0.447 29.820 30.300 -0.056 0.000 1.078 99 R HN 0.484 nan 8.270 nan 0.000 0.516 100 L N 1.274 122.455 121.223 -0.071 0.000 2.467 100 L HA 0.235 4.571 4.340 -0.007 0.000 0.270 100 L C 0.820 177.641 176.870 -0.082 0.000 1.205 100 L CA -0.503 54.291 54.840 -0.078 0.000 0.828 100 L CB 0.282 42.298 42.059 -0.073 0.000 1.101 100 L HN 0.033 nan 8.230 nan 0.000 0.479 101 A N 2.484 125.243 122.820 -0.102 0.000 2.483 101 A HA 0.192 4.508 4.320 -0.007 0.000 0.238 101 A C 1.119 178.610 177.584 -0.155 0.000 1.070 101 A CA -0.251 51.703 52.037 -0.138 0.000 0.770 101 A CB 0.220 19.115 19.000 -0.175 0.000 1.008 101 A HN 0.839 nan 8.150 nan 0.000 0.497 102 L N 1.412 122.511 121.223 -0.207 0.000 2.083 102 L HA -0.022 4.314 4.340 -0.007 0.000 0.209 102 L C -1.355 175.349 176.870 -0.276 0.000 1.083 102 L CA 0.533 55.252 54.840 -0.201 0.000 0.752 102 L CB -1.332 40.620 42.059 -0.178 0.000 0.899 102 L HN 0.407 nan 8.230 nan 0.000 0.433 103 P HA -0.010 nan 4.420 nan 0.000 0.265 103 P C 0.981 178.212 177.300 -0.115 0.000 1.187 103 P CA 0.847 63.715 63.100 -0.387 0.000 0.766 103 P CB 1.018 32.429 31.700 -0.482 0.000 0.820 104 V N 1.289 121.193 119.914 -0.017 0.000 0.453 104 V HA -0.422 3.694 4.120 -0.007 0.000 0.091 104 V C 1.963 178.119 176.094 0.103 0.000 2.559 104 V CA 2.568 64.907 62.300 0.065 0.000 3.717 104 V CB -1.573 30.334 31.823 0.139 0.000 1.002 104 V HN 0.661 nan 8.190 nan 0.000 1.045 105 N N -1.065 117.682 118.700 0.079 0.000 2.270 105 N HA -0.037 4.699 4.740 -0.007 0.000 0.181 105 N C 1.780 177.323 175.510 0.055 0.000 1.016 105 N CA 1.871 54.975 53.050 0.091 0.000 0.870 105 N CB 0.330 38.840 38.487 0.038 0.000 0.979 105 N HN 0.786 nan 8.380 nan 0.000 0.431 106 S N -0.933 114.791 115.700 0.041 0.000 3.171 106 S HA 0.164 4.630 4.470 -0.007 0.000 0.258 106 S C 0.272 174.936 174.600 0.107 0.000 1.083 106 S CA -0.378 57.862 58.200 0.067 0.000 0.801 106 S CB -0.172 63.057 63.200 0.049 0.000 0.831 106 S HN -0.000 nan 8.310 nan 0.000 0.462 107 S N 4.301 120.034 115.700 0.055 0.000 2.455 107 S HA 0.457 4.923 4.470 -0.007 0.000 0.278 107 S C -2.641 171.997 174.600 0.062 0.000 1.216 107 S CA -0.743 57.488 58.200 0.051 0.000 1.055 107 S CB 1.003 64.243 63.200 0.068 0.000 0.939 107 S HN 0.428 nan 8.310 nan 0.000 0.494 108 P HA 0.292 nan 4.420 nan 0.000 0.269 108 P C -1.143 176.142 177.300 -0.025 0.000 1.215 108 P CA -0.216 62.909 63.100 0.042 0.000 0.780 108 P CB 0.501 32.168 31.700 -0.055 0.000 0.898 109 A N 2.150 124.951 122.820 -0.033 0.000 2.393 109 A HA 0.607 4.923 4.320 -0.007 0.000 0.306 109 A C -1.102 176.404 177.584 -0.129 0.000 1.050 109 A CA -0.613 51.359 52.037 -0.109 0.000 0.724 109 A CB 1.212 20.124 19.000 -0.147 0.000 1.248 109 A HN 0.303 nan 8.150 nan 0.000 0.424 110 V N 2.892 122.695 119.914 -0.186 0.000 2.417 110 V HA 0.419 4.535 4.120 -0.007 0.000 0.291 110 V C -0.876 174.955 176.094 -0.438 0.000 1.024 110 V CA -0.312 61.862 62.300 -0.210 0.000 0.861 110 V CB 1.196 32.992 31.823 -0.046 0.000 0.985 110 V HN 0.679 nan 8.190 nan 0.000 0.436 111 I N 5.863 126.066 120.570 -0.611 0.000 2.362 111 I HA 0.499 4.665 4.170 -0.007 0.000 0.289 111 I C -0.145 175.753 176.117 -0.366 0.000 0.994 111 I CA -0.222 60.661 61.300 -0.694 0.000 1.158 111 I CB 0.893 38.306 38.000 -0.977 0.000 1.315 111 I HN 0.293 nan 8.210 nan 0.000 0.451 112 F N 3.593 123.450 119.950 -0.156 0.000 2.362 112 F HA 0.694 5.218 4.527 -0.006 0.000 0.311 112 F C 1.068 176.851 175.800 -0.029 0.000 1.161 112 F CA -1.600 56.374 58.000 -0.044 0.000 1.085 112 F CB 0.083 39.113 39.000 0.050 0.000 1.311 112 F HN 0.475 nan 8.300 nan 0.000 0.524 113 A N 1.097 124.063 122.820 0.244 0.000 2.483 113 A HA 0.160 4.476 4.320 -0.007 0.000 0.238 113 A C 0.764 178.367 177.584 0.032 0.000 1.070 113 A CA -0.471 51.642 52.037 0.128 0.000 0.770 113 A CB -0.065 18.999 19.000 0.106 0.000 1.008 113 A HN 0.678 nan 8.150 nan 0.000 0.497 114 R N 1.044 121.522 120.500 -0.036 0.000 2.538 114 R HA 0.025 4.361 4.340 -0.007 0.000 0.282 114 R C -0.367 175.699 176.300 -0.391 0.000 1.009 114 R CA 0.346 56.327 56.100 -0.198 0.000 1.063 114 R CB 0.219 30.422 30.300 -0.163 0.000 0.945 114 R HN 0.756 nan 8.270 nan 0.000 0.414 115 Q N 2.427 121.867 119.800 -0.600 0.000 2.215 115 Q HA 0.262 4.598 4.340 -0.007 0.000 0.256 115 Q C -0.471 174.867 176.000 -1.102 0.000 0.972 115 Q CA -0.480 54.855 55.803 -0.780 0.000 0.889 115 Q CB 1.659 29.802 28.738 -0.990 0.000 1.281 115 Q HN 0.542 nan 8.270 nan 0.000 0.456 116 H N 1.977 120.806 119.070 -0.401 0.000 2.690 116 H HA 0.274 4.826 4.556 -0.007 0.000 0.280 116 H C -0.712 174.577 175.328 -0.065 0.000 1.138 116 H CA -0.255 55.654 56.048 -0.233 0.000 1.241 116 H CB -0.085 29.633 29.762 -0.073 0.000 1.394 116 H HN 0.263 nan 8.280 nan 0.000 0.489 117 F N 2.579 122.558 119.950 0.048 0.000 2.329 117 F HA 0.120 4.643 4.527 -0.007 0.000 0.362 117 F C 1.664 177.498 175.800 0.058 0.000 1.113 117 F CA -1.023 57.005 58.000 0.046 0.000 1.212 117 F CB 0.722 39.725 39.000 0.005 0.000 1.509 117 F HN 0.385 nan 8.300 nan 0.000 0.546 118 Q N 1.569 121.513 119.800 0.239 0.000 1.967 118 Q HA -0.168 4.168 4.340 -0.007 0.000 0.210 118 Q C 0.119 176.202 176.000 0.138 0.000 1.005 118 Q CA 2.095 57.989 55.803 0.151 0.000 0.862 118 Q CB 0.076 28.882 28.738 0.113 0.000 0.939 118 Q HN 0.516 nan 8.270 nan 0.000 0.417 119 D N -2.145 118.331 120.400 0.126 0.000 2.442 119 D HA 0.173 4.809 4.640 -0.007 0.000 0.254 119 D C 0.719 177.070 176.300 0.084 0.000 1.069 119 D CA -0.143 53.914 54.000 0.095 0.000 1.017 119 D CB 0.551 41.396 40.800 0.075 0.000 1.172 119 D HN 0.052 nan 8.370 nan 0.000 0.561 120 T N 0.359 114.947 114.554 0.056 0.000 2.737 120 T HA -0.149 4.197 4.350 -0.007 0.000 0.269 120 T C 1.361 176.074 174.700 0.022 0.000 1.040 120 T CA 1.267 63.380 62.100 0.023 0.000 1.142 120 T CB -0.169 68.704 68.868 0.007 0.000 0.861 120 T HN 0.307 nan 8.240 nan 0.000 0.456 121 N N 1.177 119.926 118.700 0.082 0.000 2.188 121 N HA -0.069 4.667 4.740 -0.007 0.000 0.184 121 N C 1.602 177.184 175.510 0.120 0.000 1.018 121 N CA 0.842 54.018 53.050 0.209 0.000 0.858 121 N CB -0.430 38.245 38.487 0.312 0.000 0.989 121 N HN 0.423 nan 8.380 nan 0.000 0.426 122 D N 0.903 121.322 120.400 0.032 0.000 2.116 122 D HA -0.226 4.410 4.640 -0.007 0.000 0.193 122 D C 1.781 177.848 176.300 -0.389 0.000 0.998 122 D CA 0.996 54.974 54.000 -0.035 0.000 0.836 122 D CB -0.245 40.635 40.800 0.133 0.000 0.951 122 D HN 0.454 nan 8.370 nan 0.000 0.449 123 Q N 0.439 119.870 119.800 -0.616 0.000 2.061 123 Q HA -0.154 4.182 4.340 -0.007 0.000 0.204 123 Q C 2.459 178.210 176.000 -0.416 0.000 0.984 123 Q CA 1.037 56.209 55.803 -1.052 0.000 0.846 123 Q CB -0.132 28.329 28.738 -0.461 0.000 0.902 123 Q HN 0.309 nan 8.270 nan 0.000 0.421 124 L N -0.134 121.025 121.223 -0.107 0.000 2.217 124 L HA -0.093 4.243 4.340 -0.007 0.000 0.211 124 L C 2.665 179.661 176.870 0.210 0.000 1.107 124 L CA 0.761 55.655 54.840 0.090 0.000 0.783 124 L CB -0.369 41.771 42.059 0.135 0.000 0.919 124 L HN 0.215 nan 8.230 nan 0.000 0.442 125 R N -0.686 119.885 120.500 0.118 0.000 2.115 125 R HA -0.145 4.191 4.340 -0.007 0.000 0.226 125 R C 2.246 178.549 176.300 0.006 0.000 1.100 125 R CA 1.276 57.351 56.100 -0.042 0.000 0.980 125 R CB -0.207 29.979 30.300 -0.189 0.000 0.875 125 R HN 0.196 nan 8.270 nan 0.000 0.445 126 F N 1.103 120.968 119.950 -0.142 0.000 2.084 126 F HA -0.117 4.406 4.527 -0.007 0.000 0.296 126 F C 2.252 178.033 175.800 -0.031 0.000 1.111 126 F CA 1.434 59.392 58.000 -0.070 0.000 1.224 126 F CB -0.400 38.551 39.000 -0.082 0.000 0.991 126 F HN -0.039 nan 8.300 nan 0.000 0.471 127 A N 0.507 123.482 122.820 0.258 0.000 1.883 127 A HA -0.116 4.200 4.320 -0.007 0.000 0.217 127 A C 2.420 180.032 177.584 0.046 0.000 1.186 127 A CA 2.009 54.151 52.037 0.175 0.000 0.624 127 A CB -1.645 17.435 19.000 0.133 0.000 0.822 127 A HN 0.525 nan 8.150 nan 0.000 0.444 128 A N -0.923 121.930 122.820 0.054 0.000 1.873 128 A HA -0.248 4.068 4.320 -0.007 0.000 0.218 128 A C 2.310 179.870 177.584 -0.040 0.000 1.193 128 A CA 1.891 53.948 52.037 0.034 0.000 0.629 128 A CB -1.400 17.662 19.000 0.103 0.000 0.826 128 A HN 0.632 nan 8.150 nan 0.000 0.447 129 C N -1.360 117.886 119.300 -0.091 0.000 2.432 129 C HA 0.024 4.480 4.460 -0.007 0.000 0.280 129 C C 2.492 177.367 174.990 -0.192 0.000 1.353 129 C CA 0.961 59.900 59.018 -0.132 0.000 1.766 129 C CB -1.330 26.309 27.740 -0.168 0.000 1.924 129 C HN 0.672 nan 8.230 nan 0.000 0.509 130 L N 1.060 122.136 121.223 -0.246 0.000 2.023 130 L HA 0.047 4.383 4.340 -0.007 0.000 0.205 130 L C 2.190 178.895 176.870 -0.275 0.000 1.073 130 L CA 1.829 56.493 54.840 -0.292 0.000 0.745 130 L CB -0.804 41.112 42.059 -0.239 0.000 0.900 130 L HN 0.284 nan 8.230 nan 0.000 0.435 131 I N -0.246 120.211 120.570 -0.188 0.000 2.208 131 I HA -0.315 3.851 4.170 -0.007 0.000 0.245 131 I C 2.567 178.578 176.117 -0.177 0.000 1.097 131 I CA 1.583 62.781 61.300 -0.171 0.000 1.363 131 I CB -0.623 37.330 38.000 -0.079 0.000 1.051 131 I HN 0.490 nan 8.210 nan 0.000 0.413 132 S N 0.758 116.378 115.700 -0.134 0.000 2.447 132 S HA -0.070 4.396 4.470 -0.007 0.000 0.233 132 S C 2.022 176.485 174.600 -0.228 0.000 1.006 132 S CA 0.978 59.112 58.200 -0.109 0.000 0.957 132 S CB -0.762 62.424 63.200 -0.023 0.000 0.773 132 S HN 0.496 nan 8.310 nan 0.000 0.507 133 G N 0.983 109.572 108.800 -0.351 0.000 2.408 133 G HA2 -0.000 3.956 3.960 -0.007 0.000 0.215 133 G HA3 -0.000 3.956 3.960 -0.007 0.000 0.215 133 G C 1.375 176.039 174.900 -0.394 0.000 1.156 133 G CA 0.643 45.347 45.100 -0.659 0.000 0.793 133 G HN 0.452 nan 8.290 nan 0.000 0.535 134 V N 1.057 120.781 119.914 -0.317 0.000 2.407 134 V HA -0.098 4.018 4.120 -0.007 0.000 0.248 134 V C 2.841 178.760 176.094 -0.292 0.000 1.055 134 V CA 1.237 63.376 62.300 -0.268 0.000 1.049 134 V CB -0.281 31.349 31.823 -0.322 0.000 0.662 134 V HN 0.328 nan 8.190 nan 0.000 0.455 135 L N 0.114 121.181 121.223 -0.261 0.000 2.156 135 L HA -0.095 4.241 4.340 -0.007 0.000 0.208 135 L C 2.599 179.376 176.870 -0.155 0.000 1.095 135 L CA 1.814 56.524 54.840 -0.216 0.000 0.770 135 L CB -0.582 41.384 42.059 -0.155 0.000 0.914 135 L HN 0.531 nan 8.230 nan 0.000 0.439 136 S N -1.054 114.562 115.700 -0.140 0.000 2.446 136 S HA -0.183 4.283 4.470 -0.007 0.000 0.225 136 S C 1.983 176.576 174.600 -0.012 0.000 1.016 136 S CA 0.280 58.453 58.200 -0.045 0.000 0.943 136 S CB -0.233 62.984 63.200 0.029 0.000 0.786 136 S HN 0.472 nan 8.310 nan 0.000 0.508 137 Y N 1.824 122.020 120.300 -0.174 0.000 2.243 137 Y HA 0.246 4.792 4.550 -0.007 0.000 0.293 137 Y C 2.354 178.173 175.900 -0.135 0.000 1.124 137 Y CA 1.553 59.544 58.100 -0.181 0.000 1.159 137 Y CB -0.279 38.105 38.460 -0.126 0.000 1.008 137 Y HN 0.160 nan 8.280 nan 0.000 0.527 138 K N -0.565 119.780 120.400 -0.090 0.000 2.063 138 K HA -0.180 4.136 4.320 -0.007 0.000 0.208 138 K C 1.917 178.421 176.600 -0.161 0.000 1.048 138 K CA 1.945 58.138 56.287 -0.157 0.000 0.928 138 K CB -0.304 31.986 32.500 -0.350 0.000 0.713 138 K HN 0.296 nan 8.250 nan 0.000 0.442 139 T N 2.013 116.474 114.554 -0.155 0.000 2.759 139 T HA -0.125 4.221 4.350 -0.007 0.000 0.269 139 T C 1.803 176.408 174.700 -0.158 0.000 1.042 139 T CA 1.109 63.130 62.100 -0.131 0.000 1.140 139 T CB -0.099 68.713 68.868 -0.093 0.000 0.864 139 T HN 0.163 nan 8.240 nan 0.000 0.455 140 L N 0.277 121.371 121.223 -0.214 0.000 1.989 140 L HA -0.124 4.212 4.340 -0.007 0.000 0.211 140 L C 2.503 179.206 176.870 -0.278 0.000 1.071 140 L CA 1.379 56.065 54.840 -0.256 0.000 0.749 140 L CB -0.621 41.197 42.059 -0.401 0.000 0.890 140 L HN 0.277 nan 8.230 nan 0.000 0.431 141 L N -0.472 120.535 121.223 -0.359 0.000 1.970 141 L HA -0.282 4.054 4.340 -0.007 0.000 0.212 141 L C 2.320 179.095 176.870 -0.159 0.000 1.071 141 L CA 1.423 56.102 54.840 -0.269 0.000 0.751 141 L CB -0.783 41.135 42.059 -0.235 0.000 0.889 141 L HN 0.295 nan 8.230 nan 0.000 0.432 142 D N -0.301 120.015 120.400 -0.141 0.000 2.228 142 D HA -0.172 4.464 4.640 -0.007 0.000 0.203 142 D C 2.231 178.355 176.300 -0.293 0.000 0.988 142 D CA 1.740 55.639 54.000 -0.167 0.000 0.864 142 D CB -0.151 40.592 40.800 -0.096 0.000 0.928 142 D HN 0.415 nan 8.370 nan 0.000 0.469 143 S N -0.873 114.684 115.700 -0.237 0.000 2.548 143 S HA -0.074 4.392 4.470 -0.007 0.000 0.215 143 S C 0.388 174.919 174.600 -0.115 0.000 0.976 143 S CA -0.191 57.912 58.200 -0.163 0.000 0.908 143 S CB -0.211 62.937 63.200 -0.087 0.000 0.781 143 S HN 0.218 nan 8.310 nan 0.000 0.519 144 H N 0.176 119.274 119.070 0.047 0.000 2.770 144 H HA -0.112 4.440 4.556 -0.007 0.000 0.309 144 H C 0.437 175.773 175.328 0.014 0.000 1.206 144 H CA 0.729 56.818 56.048 0.069 0.000 1.147 144 H CB -2.058 27.730 29.762 0.043 0.000 1.422 144 H HN 0.479 nan 8.280 nan 0.000 0.420 145 S N -0.481 115.230 115.700 0.017 0.000 2.539 145 S HA 0.157 4.623 4.470 -0.007 0.000 0.221 145 S C 0.855 175.418 174.600 -0.061 0.000 0.987 145 S CA -0.444 57.745 58.200 -0.018 0.000 0.929 145 S CB 0.611 63.784 63.200 -0.043 0.000 0.832 145 S HN 0.188 nan 8.310 nan 0.000 0.492 146 L N 3.439 124.597 121.223 -0.109 0.000 2.367 146 L HA 0.351 4.687 4.340 -0.007 0.000 0.275 146 L C -2.350 174.463 176.870 -0.095 0.000 1.129 146 L CA -1.697 53.035 54.840 -0.180 0.000 0.839 146 L CB 0.163 42.001 42.059 -0.368 0.000 1.133 146 L HN -0.072 nan 8.230 nan 0.000 0.453 147 P HA 0.068 nan 4.420 nan 0.000 0.264 147 P C -0.726 176.568 177.300 -0.009 0.000 1.193 147 P CA -0.030 63.057 63.100 -0.022 0.000 0.763 147 P CB 0.347 32.039 31.700 -0.014 0.000 0.810 148 T N 3.045 117.638 114.554 0.064 0.000 2.901 148 T HA 0.054 4.400 4.350 -0.007 0.000 0.301 148 T C 0.151 174.993 174.700 0.237 0.000 1.012 148 T CA -0.145 62.031 62.100 0.126 0.000 1.135 148 T CB -0.064 68.913 68.868 0.183 0.000 0.936 148 T HN 0.305 nan 8.240 nan 0.000 0.539 149 D N 3.826 124.342 120.400 0.192 0.000 2.531 149 D HA -0.009 4.627 4.640 -0.007 0.000 0.239 149 D C 1.022 177.612 176.300 0.484 0.000 1.144 149 D CA 0.720 54.867 54.000 0.246 0.000 0.869 149 D CB 0.139 41.053 40.800 0.190 0.000 1.160 149 D HN 0.886 nan 8.370 nan 0.000 0.484 150 W N 1.592 122.901 121.300 0.016 0.000 0.775 150 W HA -0.249 4.407 4.660 -0.007 0.000 0.233 150 W C 0.001 176.524 176.519 0.008 0.000 0.974 150 W CA 0.327 57.678 57.345 0.011 0.000 0.358 150 W CB -2.132 27.329 29.460 0.003 0.000 1.978 150 W HN 0.367 nan 8.180 nan 0.000 1.005 151 A N 1.170 123.970 122.820 -0.033 0.000 2.147 151 A HA 0.307 4.623 4.320 -0.007 0.000 0.211 151 A C 1.102 178.654 177.584 -0.054 0.000 1.160 151 A CA 1.289 53.234 52.037 -0.152 0.000 0.781 151 A CB 0.047 19.028 19.000 -0.031 0.000 0.842 151 A HN 0.185 nan 8.150 nan 0.000 0.475 152 K N -2.515 117.899 120.400 0.025 0.000 2.533 152 K HA 0.468 4.784 4.320 -0.007 0.000 0.284 152 K C 0.498 177.162 176.600 0.107 0.000 1.025 152 K CA -0.259 56.060 56.287 0.053 0.000 0.900 152 K CB 0.669 33.204 32.500 0.059 0.000 1.519 152 K HN 0.480 nan 8.250 nan 0.000 0.432 153 G N 1.385 110.250 108.800 0.109 0.000 2.498 153 G HA2 -0.291 3.665 3.960 -0.007 0.000 0.668 153 G HA3 -0.291 3.665 3.960 -0.007 0.000 0.668 153 G C -0.734 174.270 174.900 0.173 0.000 1.358 153 G CA 1.014 46.192 45.100 0.130 0.000 0.901 153 G HN 0.856 nan 8.290 nan 0.000 0.521 154 Q N -2.753 117.162 119.800 0.192 0.000 3.004 154 Q HA 0.477 4.813 4.340 -0.007 0.000 0.201 154 Q C -1.743 174.382 176.000 0.208 0.000 0.932 154 Q CA -1.059 54.919 55.803 0.291 0.000 1.222 154 Q CB 0.199 29.073 28.738 0.226 0.000 1.718 154 Q HN 0.639 nan 8.270 nan 0.000 0.591 155 L N 1.415 122.722 121.223 0.141 0.000 2.491 155 L HA 0.538 4.874 4.340 -0.007 0.000 0.264 155 L C 1.678 178.612 176.870 0.108 0.000 1.053 155 L CA 0.531 55.417 54.840 0.076 0.000 0.858 155 L CB 1.041 43.099 42.059 -0.002 0.000 1.519 155 L HN 0.994 nan 8.230 nan 0.000 0.508 156 S N 0.153 115.893 115.700 0.066 0.000 2.575 156 S HA -0.293 4.173 4.470 -0.007 0.000 0.304 156 S C 1.078 175.751 174.600 0.121 0.000 1.237 156 S CA 1.938 60.182 58.200 0.072 0.000 1.122 156 S CB -0.830 62.380 63.200 0.017 0.000 1.073 156 S HN 1.018 nan 8.310 nan 0.000 0.450 157 G N 0.554 109.405 108.800 0.086 0.000 4.446 157 G HA2 0.248 4.204 3.960 -0.007 0.000 0.205 157 G HA3 0.248 4.204 3.960 -0.007 0.000 0.205 157 G C -0.326 174.260 174.900 -0.523 0.000 0.820 157 G CA -0.076 45.100 45.100 0.126 0.000 0.792 157 G HN 0.628 nan 8.290 nan 0.000 0.525 158 Q N 0.414 119.802 119.800 -0.686 0.000 2.297 158 Q HA 0.727 5.063 4.340 -0.007 0.000 0.269 158 Q C -3.070 172.018 176.000 -1.519 0.000 1.051 158 Q CA -2.418 52.792 55.803 -0.988 0.000 0.869 158 Q CB 2.704 31.129 28.738 -0.521 0.000 1.346 158 Q HN 0.053 nan 8.270 nan 0.000 0.457 159 P HA 0.343 nan 4.420 nan 0.000 0.284 159 P C -0.824 176.207 177.300 -0.448 0.000 1.258 159 P CA -0.408 62.096 63.100 -0.993 0.000 0.824 159 P CB 1.101 32.474 31.700 -0.545 0.000 1.038 160 L N 0.598 121.675 121.223 -0.244 0.000 2.319 160 L HA 0.449 4.785 4.340 -0.007 0.000 0.267 160 L C 0.602 177.452 176.870 -0.033 0.000 1.011 160 L CA -1.165 53.601 54.840 -0.123 0.000 0.818 160 L CB 1.980 44.025 42.059 -0.023 0.000 1.316 160 L HN 0.425 nan 8.230 nan 0.000 0.432 161 C N 2.885 122.176 119.300 -0.016 0.000 2.638 161 C HA 0.108 4.564 4.460 -0.007 0.000 0.410 161 C C 1.363 176.429 174.990 0.126 0.000 1.404 161 C CA -0.305 58.740 59.018 0.044 0.000 1.651 161 C CB -0.331 27.427 27.740 0.030 0.000 2.495 161 C HN 0.697 nan 8.230 nan 0.000 0.606 162 M N 5.208 124.923 119.600 0.191 0.000 2.383 162 M HA 0.096 4.572 4.480 -0.007 0.000 0.247 162 M C 1.830 178.371 176.300 0.401 0.000 1.117 162 M CA 0.322 55.826 55.300 0.340 0.000 0.995 162 M CB -0.525 32.257 32.600 0.303 0.000 1.480 162 M HN 0.701 nan 8.290 nan 0.000 0.485 163 K N 0.760 121.325 120.400 0.276 0.000 2.211 163 K HA -0.141 4.175 4.320 -0.007 0.000 0.204 163 K C 1.594 178.346 176.600 0.254 0.000 1.047 163 K CA 1.120 57.576 56.287 0.282 0.000 0.935 163 K CB -0.162 32.432 32.500 0.156 0.000 0.728 163 K HN 0.556 nan 8.250 nan 0.000 0.452 164 Q N -0.553 119.338 119.800 0.152 0.000 2.224 164 Q HA -0.124 4.212 4.340 -0.007 0.000 0.203 164 Q C 1.659 177.599 176.000 -0.100 0.000 0.970 164 Q CA 1.167 57.005 55.803 0.058 0.000 0.865 164 Q CB -0.164 28.577 28.738 0.005 0.000 0.922 164 Q HN 0.399 nan 8.270 nan 0.000 0.445 165 Y N -1.389 118.863 120.300 -0.081 0.000 2.293 165 Y HA -0.197 4.349 4.550 -0.006 0.000 0.291 165 Y C 1.322 177.009 175.900 -0.354 0.000 1.137 165 Y CA 0.973 58.900 58.100 -0.288 0.000 1.202 165 Y CB -0.170 38.056 38.460 -0.390 0.000 0.990 165 Y HN 0.180 nan 8.280 nan 0.000 0.537 166 Y N -0.682 119.695 120.300 0.128 0.000 2.578 166 Y HA 0.013 4.558 4.550 -0.007 0.000 0.297 166 Y C 1.593 177.544 175.900 0.084 0.000 1.176 166 Y CA 0.492 58.656 58.100 0.107 0.000 1.315 166 Y CB -0.094 38.443 38.460 0.127 0.000 1.031 166 Y HN -0.025 nan 8.280 nan 0.000 0.524 167 R N -0.697 119.889 120.500 0.144 0.000 2.397 167 R HA 0.184 4.520 4.340 -0.007 0.000 0.241 167 R C 1.400 177.733 176.300 0.055 0.000 0.914 167 R CA 0.003 56.194 56.100 0.152 0.000 1.071 167 R CB 0.133 30.573 30.300 0.233 0.000 1.116 167 R HN 0.392 nan 8.270 nan 0.000 0.524 168 L N -0.369 120.657 121.223 -0.329 0.000 2.017 168 L HA -0.102 4.234 4.340 -0.007 0.000 0.208 168 L C 1.342 177.906 176.870 -0.509 0.000 1.073 168 L CA 1.897 56.248 54.840 -0.816 0.000 0.745 168 L CB -0.114 41.163 42.059 -1.305 0.000 0.894 168 L HN 0.169 nan 8.230 nan 0.000 0.432 169 F N -2.175 117.817 119.950 0.069 0.000 2.720 169 F HA 0.071 4.594 4.527 -0.007 0.000 0.301 169 F C 1.947 177.810 175.800 0.104 0.000 1.103 169 F CA 0.003 58.059 58.000 0.094 0.000 1.291 169 F CB 0.201 39.243 39.000 0.070 0.000 1.086 169 F HN -0.012 nan 8.300 nan 0.000 0.592 170 S N -1.088 114.766 115.700 0.256 0.000 2.561 170 S HA 0.312 4.778 4.470 -0.007 0.000 0.245 170 S C 0.126 174.843 174.600 0.195 0.000 1.001 170 S CA -0.374 57.950 58.200 0.207 0.000 1.002 170 S CB -0.250 63.066 63.200 0.193 0.000 0.805 170 S HN -0.027 nan 8.310 nan 0.000 0.458 171 S N 0.746 116.575 115.700 0.216 0.000 2.607 171 S HA 0.755 5.221 4.470 -0.007 0.000 0.303 171 S C -1.496 173.272 174.600 0.279 0.000 1.086 171 S CA -0.651 57.680 58.200 0.219 0.000 0.995 171 S CB 1.364 64.677 63.200 0.188 0.000 1.084 171 S HN 0.537 nan 8.310 nan 0.000 0.507 172 Y N 0.886 121.256 120.300 0.117 0.000 2.482 172 Y HA 0.462 5.008 4.550 -0.008 0.000 0.334 172 Y C -0.775 175.197 175.900 0.120 0.000 1.091 172 Y CA -0.665 57.516 58.100 0.134 0.000 1.027 172 Y CB 1.237 39.779 38.460 0.137 0.000 1.306 172 Y HN 0.640 nan 8.280 nan 0.000 0.446 173 R N 7.148 127.423 120.500 -0.375 0.000 2.233 173 R HA 0.465 4.801 4.340 -0.007 0.000 0.334 173 R C -1.551 174.705 176.300 -0.074 0.000 1.037 173 R CA -0.431 55.583 56.100 -0.143 0.000 0.920 173 R CB 0.286 30.497 30.300 -0.147 0.000 1.137 173 R HN 0.795 nan 8.270 nan 0.000 0.492 174 L N 7.283 128.613 121.223 0.178 0.000 2.360 174 L HA 0.312 4.648 4.340 -0.007 0.000 0.276 174 L C -1.796 175.119 176.870 0.076 0.000 1.121 174 L CA -1.890 53.097 54.840 0.244 0.000 0.845 174 L CB 1.170 43.359 42.059 0.216 0.000 1.143 174 L HN 0.445 nan 8.230 nan 0.000 0.452 175 P HA 0.162 nan 4.420 nan 0.000 0.275 175 P C -0.354 176.863 177.300 -0.139 0.000 1.227 175 P CA -0.157 62.878 63.100 -0.108 0.000 0.781 175 P CB 1.334 32.834 31.700 -0.333 0.000 0.906 176 G N 0.898 109.639 108.800 -0.097 0.000 2.600 176 G HA2 0.303 4.259 3.960 -0.007 0.000 0.303 176 G HA3 0.303 4.259 3.960 -0.007 0.000 0.303 176 G C 0.134 174.968 174.900 -0.111 0.000 1.253 176 G CA -0.415 44.654 45.100 -0.052 0.000 0.974 176 G HN 0.437 nan 8.290 nan 0.000 0.483 177 H N -0.982 118.055 119.070 -0.055 0.000 2.462 177 H HA 0.024 4.577 4.556 -0.006 0.000 0.292 177 H C 2.397 177.702 175.328 -0.038 0.000 1.049 177 H CA 2.284 58.303 56.048 -0.049 0.000 1.334 177 H CB 0.557 30.293 29.762 -0.043 0.000 1.404 177 H HN 0.546 nan 8.280 nan 0.000 0.544 178 T N -4.318 110.288 114.554 0.087 0.000 3.010 178 T HA 0.116 4.462 4.350 -0.007 0.000 0.253 178 T C 0.543 175.249 174.700 0.010 0.000 0.939 178 T CA -0.418 61.702 62.100 0.033 0.000 0.910 178 T CB 0.813 69.694 68.868 0.023 0.000 1.226 178 T HN 0.171 nan 8.240 nan 0.000 0.508 179 Q N 0.939 120.749 119.800 0.016 0.000 2.271 179 Q HA 0.429 4.765 4.340 -0.007 0.000 0.268 179 Q C -1.895 174.109 176.000 0.008 0.000 1.021 179 Q CA -0.583 55.224 55.803 0.007 0.000 0.802 179 Q CB 1.959 30.704 28.738 0.012 0.000 1.282 179 Q HN 0.120 nan 8.270 nan 0.000 0.431 180 D N 1.400 121.802 120.400 0.002 0.000 2.383 180 D HA 0.386 5.022 4.640 -0.007 0.000 0.248 180 D C -0.722 175.594 176.300 0.027 0.000 1.170 180 D CA 0.279 54.284 54.000 0.010 0.000 0.977 180 D CB 1.355 42.159 40.800 0.005 0.000 1.120 180 D HN 0.358 nan 8.370 nan 0.000 0.481 181 T N 0.867 115.447 114.554 0.044 0.000 2.848 181 T HA 0.402 4.748 4.350 -0.007 0.000 0.285 181 T C -0.850 173.895 174.700 0.075 0.000 0.995 181 T CA -0.590 61.545 62.100 0.059 0.000 0.970 181 T CB 1.087 69.996 68.868 0.069 0.000 0.976 181 T HN 0.092 nan 8.240 nan 0.000 0.441 182 L N 5.288 126.553 121.223 0.070 0.000 2.255 182 L HA 0.674 5.010 4.340 -0.007 0.000 0.289 182 L C -0.290 176.642 176.870 0.104 0.000 1.046 182 L CA -0.511 54.377 54.840 0.079 0.000 0.816 182 L CB 0.696 42.789 42.059 0.057 0.000 1.197 182 L HN 0.479 nan 8.230 nan 0.000 0.427 183 V N 5.773 125.774 119.914 0.145 0.000 2.481 183 V HA 0.885 5.001 4.120 -0.007 0.000 0.286 183 V C -0.016 176.168 176.094 0.150 0.000 1.042 183 V CA 0.023 62.412 62.300 0.147 0.000 0.928 183 V CB 1.357 33.287 31.823 0.179 0.000 0.986 183 V HN 1.020 nan 8.190 nan 0.000 0.462 184 A N 5.919 128.811 122.820 0.120 0.000 2.303 184 A HA 0.797 5.113 4.320 -0.007 0.000 0.320 184 A C -0.289 177.358 177.584 0.105 0.000 1.192 184 A CA -0.375 51.734 52.037 0.119 0.000 0.821 184 A CB 1.033 20.096 19.000 0.105 0.000 1.188 184 A HN 1.276 nan 8.150 nan 0.000 0.492 185 Q N 0.493 120.363 119.800 0.117 0.000 1.970 185 Q HA -0.087 4.249 4.340 -0.007 0.000 0.262 185 Q C -0.968 175.084 176.000 0.087 0.000 0.689 185 Q CA -0.048 55.816 55.803 0.102 0.000 0.415 185 Q CB 0.046 28.831 28.738 0.079 0.000 0.466 185 Q HN 0.725 nan 8.270 nan 0.000 0.320 186 K N 0.831 121.284 120.400 0.088 0.000 2.402 186 K HA 0.191 4.507 4.320 -0.007 0.000 0.204 186 K C 1.260 177.894 176.600 0.058 0.000 1.056 186 K CA 0.796 57.119 56.287 0.060 0.000 1.069 186 K CB 0.316 32.840 32.500 0.040 0.000 0.888 186 K HN 0.403 nan 8.250 nan 0.000 0.546 187 S N -0.483 115.263 115.700 0.075 0.000 2.512 187 S HA -0.083 4.383 4.470 -0.007 0.000 0.253 187 S C 0.913 175.547 174.600 0.056 0.000 0.984 187 S CA 1.797 60.045 58.200 0.079 0.000 0.962 187 S CB 0.124 63.391 63.200 0.112 0.000 0.747 187 S HN 0.339 nan 8.310 nan 0.000 0.525 188 S N -0.671 115.056 115.700 0.045 0.000 4.403 188 S HA 0.336 4.802 4.470 -0.007 0.000 0.183 188 S C 1.203 175.820 174.600 0.030 0.000 1.070 188 S CA 0.035 58.257 58.200 0.036 0.000 1.145 188 S CB -0.313 62.911 63.200 0.040 0.000 1.585 188 S HN 0.327 nan 8.310 nan 0.000 0.634 189 I N 3.376 123.964 120.570 0.030 0.000 2.493 189 I HA -0.055 4.111 4.170 -0.007 0.000 0.254 189 I C 2.068 178.202 176.117 0.029 0.000 1.160 189 I CA 1.036 62.352 61.300 0.028 0.000 1.445 189 I CB -1.262 36.753 38.000 0.026 0.000 1.086 189 I HN 0.319 nan 8.210 nan 0.000 0.433 190 M N 1.156 120.774 119.600 0.029 0.000 5.024 190 M HA -0.220 4.256 4.480 -0.007 0.000 0.326 190 M C 0.366 176.686 176.300 0.034 0.000 1.012 190 M CA 2.384 57.703 55.300 0.030 0.000 1.049 190 M CB -2.746 29.873 32.600 0.031 0.000 1.121 190 M HN 0.024 nan 8.290 nan 0.000 0.797 191 P HA -0.139 nan 4.420 nan 0.000 0.213 191 P C 1.121 178.428 177.300 0.012 0.000 1.170 191 P CA 1.318 64.429 63.100 0.019 0.000 0.898 191 P CB -0.285 31.425 31.700 0.015 0.000 0.787 192 E N -0.993 119.219 120.200 0.019 0.000 2.477 192 E HA -0.180 4.166 4.350 -0.007 0.000 0.210 192 E C -1.245 175.376 176.600 0.034 0.000 1.099 192 E CA 0.277 56.692 56.400 0.025 0.000 0.899 192 E CB -1.341 28.385 29.700 0.043 0.000 0.833 192 E HN 0.306 nan 8.360 nan 0.000 0.576 193 P HA -0.075 nan 4.420 nan 0.000 0.229 193 P C -1.309 175.983 177.300 -0.014 0.000 1.597 193 P CA 0.795 63.907 63.100 0.020 0.000 1.030 193 P CB -0.343 31.350 31.700 -0.013 0.000 1.897 194 E N 2.301 122.530 120.200 0.048 0.000 2.183 194 E HA 0.230 4.575 4.350 -0.007 0.000 0.250 194 E C 0.075 176.714 176.600 0.065 0.000 0.901 194 E CA -0.554 55.839 56.400 -0.012 0.000 0.741 194 E CB 0.632 30.314 29.700 -0.030 0.000 1.182 194 E HN 0.479 nan 8.360 nan 0.000 0.425 195 H N -0.351 118.709 119.070 -0.015 0.000 3.079 195 H HA 0.373 4.925 4.556 -0.007 0.000 0.356 195 H C -1.390 173.948 175.328 0.016 0.000 1.221 195 H CA -0.900 55.146 56.048 -0.003 0.000 1.185 195 H CB 0.499 30.261 29.762 0.000 0.000 1.882 195 H HN 0.105 nan 8.280 nan 0.000 0.543 196 V N 3.021 123.026 119.914 0.151 0.000 2.644 196 V HA 0.192 4.308 4.120 -0.007 0.000 0.295 196 V C 0.567 176.800 176.094 0.232 0.000 1.053 196 V CA -0.844 61.537 62.300 0.135 0.000 0.987 196 V CB 1.449 33.332 31.823 0.100 0.000 1.006 196 V HN 0.537 nan 8.190 nan 0.000 0.472 197 I N 4.237 124.939 120.570 0.220 0.000 2.315 197 I HA 0.306 4.472 4.170 -0.007 0.000 0.291 197 I C -0.091 176.182 176.117 0.260 0.000 1.006 197 I CA -0.185 61.257 61.300 0.238 0.000 1.265 197 I CB 1.343 39.453 38.000 0.183 0.000 1.387 197 I HN 0.218 nan 8.210 nan 0.000 0.475 198 V N 6.180 126.261 119.914 0.278 0.000 2.370 198 V HA 0.567 4.683 4.120 -0.007 0.000 0.283 198 V C 0.502 176.778 176.094 0.302 0.000 1.023 198 V CA -0.667 61.784 62.300 0.252 0.000 0.857 198 V CB 1.503 33.424 31.823 0.163 0.000 0.985 198 V HN 0.859 nan 8.190 nan 0.000 0.443 199 A N 4.304 127.264 122.820 0.234 0.000 2.276 199 A HA 0.714 5.030 4.320 -0.007 0.000 0.316 199 A C -0.468 177.142 177.584 0.044 0.000 1.229 199 A CA -0.380 51.708 52.037 0.084 0.000 0.851 199 A CB 0.962 20.035 19.000 0.122 0.000 1.165 199 A HN 0.963 nan 8.150 nan 0.000 0.513 200 C N 2.228 121.540 119.300 0.021 0.000 2.642 200 C HA 0.501 4.957 4.460 -0.007 0.000 0.344 200 C C 0.493 175.491 174.990 0.014 0.000 1.110 200 C CA 0.305 59.332 59.018 0.014 0.000 1.298 200 C CB -0.560 27.180 27.740 0.000 0.000 1.827 200 C HN 1.536 nan 8.230 nan 0.000 0.467 201 C N 5.618 124.914 119.300 -0.005 0.000 4.432 201 C HA -0.130 4.326 4.460 -0.007 0.000 0.294 201 C C 0.894 175.869 174.990 -0.025 0.000 1.398 201 C CA 1.215 60.233 59.018 0.001 0.000 1.988 201 C CB -2.910 24.845 27.740 0.026 0.000 1.251 201 C HN 1.117 nan 8.230 nan 0.000 0.791 202 N N -2.320 116.328 118.700 -0.087 0.000 2.909 202 N HA -0.159 4.577 4.740 -0.007 0.000 0.242 202 N C -0.102 175.227 175.510 -0.303 0.000 0.975 202 N CA 1.816 54.767 53.050 -0.166 0.000 0.921 202 N CB -0.471 37.986 38.487 -0.050 0.000 1.112 202 N HN 0.793 nan 8.380 nan 0.000 0.581 203 Q N -0.271 119.379 119.800 -0.250 0.000 2.214 203 Q HA 0.585 4.921 4.340 -0.007 0.000 0.251 203 Q C -0.115 175.617 176.000 -0.446 0.000 0.936 203 Q CA -0.078 55.594 55.803 -0.217 0.000 0.894 203 Q CB 0.619 29.407 28.738 0.083 0.000 1.252 203 Q HN 0.178 nan 8.270 nan 0.000 0.448 204 F N 1.138 121.116 119.950 0.047 0.000 2.482 204 F HA 0.514 5.038 4.527 -0.007 0.000 0.331 204 F C -0.506 175.156 175.800 -0.229 0.000 1.115 204 F CA -0.655 57.375 58.000 0.050 0.000 0.955 204 F CB 1.130 40.189 39.000 0.099 0.000 1.136 204 F HN 0.303 nan 8.300 nan 0.000 0.452 205 F N 1.677 121.717 119.950 0.149 0.000 2.551 205 F HA 0.576 5.099 4.527 -0.006 0.000 0.316 205 F C -0.452 175.379 175.800 0.050 0.000 1.089 205 F CA -1.347 56.687 58.000 0.057 0.000 0.915 205 F CB 1.725 40.742 39.000 0.028 0.000 1.186 205 F HN -0.006 nan 8.300 nan 0.000 0.456 206 V N 4.295 124.295 119.914 0.144 0.000 2.427 206 V HA 0.142 4.258 4.120 -0.007 0.000 0.268 206 V C -0.389 175.759 176.094 0.091 0.000 1.046 206 V CA -0.278 62.042 62.300 0.034 0.000 0.970 206 V CB 1.002 32.745 31.823 -0.133 0.000 1.001 206 V HN 0.486 nan 8.190 nan 0.000 0.476 207 L N 5.541 126.835 121.223 0.117 0.000 2.313 207 L HA 0.516 4.852 4.340 -0.007 0.000 0.273 207 L C -0.110 176.823 176.870 0.104 0.000 1.028 207 L CA -0.074 54.822 54.840 0.094 0.000 0.871 207 L CB 0.718 42.830 42.059 0.087 0.000 1.242 207 L HN 0.532 nan 8.230 nan 0.000 0.434 208 D N 3.095 123.536 120.400 0.067 0.000 2.417 208 D HA 0.053 4.689 4.640 -0.007 0.000 0.250 208 D C 1.168 177.493 176.300 0.041 0.000 1.166 208 D CA 0.276 54.316 54.000 0.066 0.000 0.881 208 D CB 1.887 42.705 40.800 0.029 0.000 1.164 208 D HN 0.437 nan 8.370 nan 0.000 0.467 209 V N 0.670 120.603 119.914 0.031 0.000 3.660 209 V HA 0.187 4.303 4.120 -0.007 0.000 0.276 209 V C 0.417 176.499 176.094 -0.019 0.000 1.317 209 V CA 0.083 62.381 62.300 -0.002 0.000 1.097 209 V CB 0.360 32.171 31.823 -0.019 0.000 0.863 209 V HN 0.179 nan 8.190 nan 0.000 0.438 210 V N 2.225 122.131 119.914 -0.013 0.000 2.443 210 V HA 0.588 4.704 4.120 -0.007 0.000 0.293 210 V C -0.586 175.510 176.094 0.003 0.000 1.021 210 V CA -0.350 61.929 62.300 -0.034 0.000 0.848 210 V CB 1.708 33.487 31.823 -0.073 0.000 0.998 210 V HN 0.348 nan 8.190 nan 0.000 0.424 211 I N 4.720 125.300 120.570 0.017 0.000 2.569 211 I HA 0.514 4.680 4.170 -0.007 0.000 0.290 211 I C 0.031 176.185 176.117 0.062 0.000 1.088 211 I CA -0.683 60.639 61.300 0.038 0.000 1.047 211 I CB 2.230 40.246 38.000 0.027 0.000 1.237 211 I HN 0.615 nan 8.210 nan 0.000 0.421 212 N N 5.038 123.794 118.700 0.094 0.000 2.776 212 N HA -0.270 4.466 4.740 -0.007 0.000 0.249 212 N C 0.136 175.771 175.510 0.208 0.000 1.111 212 N CA 0.838 53.959 53.050 0.117 0.000 0.711 212 N CB -1.287 37.245 38.487 0.075 0.000 1.065 212 N HN 0.811 nan 8.380 nan 0.000 0.556 213 F N -0.854 119.096 119.950 -0.000 0.000 3.027 213 F HA -0.310 4.213 4.527 -0.007 0.000 0.276 213 F C 0.577 176.376 175.800 -0.001 0.000 0.967 213 F CA 1.595 59.594 58.000 -0.000 0.000 0.929 213 F CB -0.445 38.555 39.000 -0.001 0.000 0.873 213 F HN 0.414 nan 8.300 nan 0.000 0.787 214 R N 1.940 122.438 120.500 -0.004 0.000 2.535 214 R HA 0.472 4.807 4.340 -0.007 0.000 0.274 214 R C -0.563 175.701 176.300 -0.059 0.000 1.090 214 R CA -0.937 55.141 56.100 -0.036 0.000 0.930 214 R CB 1.417 31.727 30.300 0.017 0.000 1.223 214 R HN 0.295 nan 8.270 nan 0.000 0.441 215 R N 3.197 123.650 120.500 -0.079 0.000 2.643 215 R HA 0.238 4.574 4.340 -0.007 0.000 0.270 215 R C 0.026 176.307 176.300 -0.033 0.000 1.061 215 R CA -0.221 55.840 56.100 -0.065 0.000 1.107 215 R CB 0.517 30.773 30.300 -0.074 0.000 0.999 215 R HN 0.413 nan 8.270 nan 0.000 0.460 216 L N 1.763 122.972 121.223 -0.023 0.000 2.375 216 L HA 0.156 4.492 4.340 -0.007 0.000 0.271 216 L C 0.869 177.735 176.870 -0.007 0.000 1.107 216 L CA -0.285 54.549 54.840 -0.009 0.000 0.806 216 L CB 1.535 43.593 42.059 -0.003 0.000 1.146 216 L HN 0.823 nan 8.230 nan 0.000 0.447 217 S N 1.006 116.708 115.700 0.003 0.000 2.634 217 S HA 0.113 4.579 4.470 -0.007 0.000 0.261 217 S C 0.884 175.491 174.600 0.013 0.000 1.271 217 S CA -0.631 57.572 58.200 0.004 0.000 0.985 217 S CB 0.958 64.162 63.200 0.007 0.000 0.968 217 S HN 0.681 nan 8.310 nan 0.000 0.568 218 E N 1.239 121.444 120.200 0.007 0.000 2.086 218 E HA -0.177 4.169 4.350 -0.007 0.000 0.205 218 E C 2.188 178.815 176.600 0.045 0.000 1.027 218 E CA 1.527 57.933 56.400 0.010 0.000 0.830 218 E CB -1.131 28.557 29.700 -0.020 0.000 0.751 218 E HN 0.858 nan 8.360 nan 0.000 0.456 219 G N 1.298 110.121 108.800 0.038 0.000 2.469 219 G HA2 -0.321 3.635 3.960 -0.007 0.000 0.219 219 G HA3 -0.321 3.635 3.960 -0.007 0.000 0.219 219 G C 1.074 176.067 174.900 0.155 0.000 1.150 219 G CA 1.398 46.553 45.100 0.092 0.000 0.763 219 G HN 0.142 nan 8.290 nan 0.000 0.561 220 D N 0.084 120.535 120.400 0.085 0.000 2.183 220 D HA 0.015 4.651 4.640 -0.007 0.000 0.203 220 D C 2.562 178.896 176.300 0.055 0.000 0.969 220 D CA 0.292 54.328 54.000 0.060 0.000 0.842 220 D CB -0.114 40.705 40.800 0.031 0.000 0.957 220 D HN 0.310 nan 8.370 nan 0.000 0.484 221 L N -0.354 120.910 121.223 0.068 0.000 2.179 221 L HA -0.012 4.324 4.340 -0.007 0.000 0.208 221 L C 2.183 179.105 176.870 0.088 0.000 1.096 221 L CA 0.248 55.118 54.840 0.050 0.000 0.779 221 L CB -0.222 41.862 42.059 0.043 0.000 0.922 221 L HN -0.032 nan 8.230 nan 0.000 0.443 222 F N 0.855 120.785 119.950 -0.033 0.000 2.091 222 F HA -0.327 4.196 4.527 -0.007 0.000 0.299 222 F C 2.440 178.217 175.800 -0.038 0.000 1.103 222 F CA 2.118 60.097 58.000 -0.036 0.000 1.228 222 F CB -0.208 38.772 39.000 -0.033 0.000 0.984 222 F HN -0.033 nan 8.300 nan 0.000 0.477 223 T N 0.740 115.221 114.554 -0.123 0.000 2.653 223 T HA -0.279 4.067 4.350 -0.007 0.000 0.268 223 T C 1.830 176.411 174.700 -0.199 0.000 1.035 223 T CA 1.811 63.792 62.100 -0.198 0.000 1.154 223 T CB -0.344 68.495 68.868 -0.048 0.000 0.862 223 T HN 0.354 nan 8.240 nan 0.000 0.441 224 Q N 0.653 120.383 119.800 -0.117 0.000 2.020 224 Q HA 0.055 4.391 4.340 -0.007 0.000 0.202 224 Q C 2.602 178.509 176.000 -0.155 0.000 0.982 224 Q CA 1.180 56.923 55.803 -0.100 0.000 0.838 224 Q CB -0.783 27.929 28.738 -0.044 0.000 0.899 224 Q HN 0.493 nan 8.270 nan 0.000 0.423 225 L N 0.528 121.655 121.223 -0.159 0.000 2.131 225 L HA -0.174 4.162 4.340 -0.007 0.000 0.210 225 L C 2.625 179.348 176.870 -0.245 0.000 1.092 225 L CA 0.909 55.644 54.840 -0.176 0.000 0.759 225 L CB -0.376 41.618 42.059 -0.108 0.000 0.903 225 L HN 0.204 nan 8.230 nan 0.000 0.435 226 R N 0.562 120.851 120.500 -0.351 0.000 2.112 226 R HA -0.241 4.095 4.340 -0.007 0.000 0.242 226 R C 2.257 178.410 176.300 -0.245 0.000 1.137 226 R CA 1.819 57.721 56.100 -0.330 0.000 0.944 226 R CB -0.463 29.552 30.300 -0.475 0.000 0.857 226 R HN 0.388 nan 8.270 nan 0.000 0.435 227 K N 0.360 120.628 120.400 -0.221 0.000 2.152 227 K HA -0.120 4.196 4.320 -0.007 0.000 0.206 227 K C 2.117 178.566 176.600 -0.252 0.000 1.048 227 K CA 1.293 57.467 56.287 -0.188 0.000 0.933 227 K CB -0.210 32.208 32.500 -0.137 0.000 0.721 227 K HN 0.194 nan 8.250 nan 0.000 0.447 228 I N 0.566 120.925 120.570 -0.351 0.000 2.142 228 I HA -0.282 3.884 4.170 -0.007 0.000 0.240 228 I C 2.173 177.988 176.117 -0.504 0.000 1.078 228 I CA 1.137 62.052 61.300 -0.642 0.000 1.343 228 I CB -0.276 37.347 38.000 -0.628 0.000 1.046 228 I HN -0.075 nan 8.210 nan 0.000 0.405 229 V N 0.937 120.677 119.914 -0.290 0.000 2.490 229 V HA -0.302 3.814 4.120 -0.007 0.000 0.250 229 V C 2.490 178.493 176.094 -0.151 0.000 1.061 229 V CA 1.815 63.996 62.300 -0.199 0.000 1.064 229 V CB -0.741 30.995 31.823 -0.145 0.000 0.670 229 V HN 0.421 nan 8.190 nan 0.000 0.461 230 K N -0.192 120.115 120.400 -0.155 0.000 2.026 230 K HA -0.170 4.145 4.320 -0.007 0.000 0.208 230 K C 2.193 178.749 176.600 -0.073 0.000 1.048 230 K CA 1.762 57.992 56.287 -0.095 0.000 0.929 230 K CB -0.167 32.280 32.500 -0.090 0.000 0.713 230 K HN 0.363 nan 8.250 nan 0.000 0.439 231 M N -0.024 119.511 119.600 -0.107 0.000 2.229 231 M HA -0.089 4.387 4.480 -0.007 0.000 0.264 231 M C 2.213 178.559 176.300 0.077 0.000 1.063 231 M CA 1.361 56.659 55.300 -0.004 0.000 1.114 231 M CB -0.066 32.549 32.600 0.025 0.000 1.387 231 M HN 0.272 nan 8.290 nan 0.000 0.420 232 A N -0.310 122.505 122.820 -0.009 0.000 2.016 232 A HA -0.081 4.235 4.320 -0.007 0.000 0.217 232 A C 2.142 179.768 177.584 0.069 0.000 1.162 232 A CA 1.627 53.736 52.037 0.119 0.000 0.662 232 A CB -0.578 18.451 19.000 0.047 0.000 0.812 232 A HN 0.518 nan 8.150 nan 0.000 0.450 233 S N 0.322 116.032 115.700 0.015 0.000 2.650 233 S HA 0.034 4.500 4.470 -0.007 0.000 0.219 233 S C 0.006 174.619 174.600 0.022 0.000 0.960 233 S CA -0.426 57.782 58.200 0.014 0.000 0.925 233 S CB -0.577 62.617 63.200 -0.010 0.000 0.775 233 S HN 0.406 nan 8.310 nan 0.000 0.525 234 N N 3.299 122.020 118.700 0.036 0.000 2.415 234 N HA 0.145 4.881 4.740 -0.007 0.000 0.250 234 N C 0.629 176.163 175.510 0.041 0.000 1.127 234 N CA -0.138 52.933 53.050 0.035 0.000 0.945 234 N CB 0.996 39.505 38.487 0.038 0.000 1.196 234 N HN 0.396 nan 8.380 nan 0.000 0.499 235 E N 0.478 120.697 120.200 0.032 0.000 2.233 235 E HA -0.163 4.183 4.350 -0.007 0.000 0.199 235 E C -0.424 176.196 176.600 0.034 0.000 1.004 235 E CA 1.147 57.566 56.400 0.032 0.000 0.819 235 E CB 0.108 29.823 29.700 0.025 0.000 0.738 235 E HN 0.473 nan 8.360 nan 0.000 0.478 236 D N 0.772 121.192 120.400 0.033 0.000 2.631 236 D HA 0.152 4.788 4.640 -0.007 0.000 0.227 236 D C 0.644 176.967 176.300 0.039 0.000 1.146 236 D CA 0.195 54.215 54.000 0.033 0.000 1.009 236 D CB 0.339 41.156 40.800 0.028 0.000 1.057 236 D HN 0.180 nan 8.370 nan 0.000 0.509 237 E N -0.131 120.097 120.200 0.047 0.000 1.143 237 E HA -0.086 4.260 4.350 -0.007 0.000 0.201 237 E C 0.254 176.891 176.600 0.061 0.000 0.851 237 E CA -0.233 56.197 56.400 0.051 0.000 0.858 237 E CB 0.324 30.058 29.700 0.056 0.000 4.764 237 E HN 0.116 nan 8.360 nan 0.000 0.578 238 R N 1.994 122.530 120.500 0.061 0.000 2.484 238 R HA 0.207 4.543 4.340 -0.007 0.000 0.293 238 R C -0.353 175.991 176.300 0.074 0.000 1.023 238 R CA 0.376 56.516 56.100 0.067 0.000 1.037 238 R CB 0.254 30.586 30.300 0.054 0.000 0.951 238 R HN 0.012 nan 8.270 nan 0.000 0.418 239 L N 6.483 127.765 121.223 0.098 0.000 2.334 239 L HA 0.498 4.834 4.340 -0.007 0.000 0.275 239 L C -1.970 174.968 176.870 0.113 0.000 1.036 239 L CA -2.570 52.356 54.840 0.143 0.000 0.807 239 L CB 1.383 43.600 42.059 0.263 0.000 1.231 239 L HN 0.480 nan 8.230 nan 0.000 0.438 240 P HA 0.008 nan 4.420 nan 0.000 0.269 240 P C -2.340 174.967 177.300 0.011 0.000 1.211 240 P CA -0.640 62.476 63.100 0.028 0.000 0.781 240 P CB -0.087 31.613 31.700 0.000 0.000 0.877 241 P HA 0.077 nan 4.420 nan 0.000 0.226 241 P C 0.704 177.994 177.300 -0.017 0.000 1.783 241 P CA 0.187 63.292 63.100 0.010 0.000 0.980 241 P CB -0.466 31.235 31.700 0.003 0.000 1.967 242 I N 0.403 120.919 120.570 -0.090 0.000 2.423 242 I HA -0.155 4.011 4.170 -0.007 0.000 0.254 242 I C 2.443 178.424 176.117 -0.227 0.000 1.151 242 I CA 1.584 62.715 61.300 -0.281 0.000 1.421 242 I CB -1.725 35.782 38.000 -0.821 0.000 1.079 242 I HN 0.189 nan 8.210 nan 0.000 0.431 243 G N 1.384 110.288 108.800 0.172 0.000 2.485 243 G HA2 -0.281 3.675 3.960 -0.007 0.000 0.221 243 G HA3 -0.281 3.675 3.960 -0.007 0.000 0.221 243 G C 1.753 176.500 174.900 -0.254 0.000 1.115 243 G CA 0.518 45.631 45.100 0.022 0.000 0.751 243 G HN 0.324 nan 8.290 nan 0.000 0.567 244 L N 0.548 121.677 121.223 -0.156 0.000 2.043 244 L HA -0.064 4.272 4.340 -0.007 0.000 0.212 244 L C 2.730 179.408 176.870 -0.320 0.000 1.075 244 L CA 1.431 56.169 54.840 -0.169 0.000 0.752 244 L CB -0.346 41.652 42.059 -0.103 0.000 0.891 244 L HN 0.263 nan 8.230 nan 0.000 0.432 245 L N -0.920 120.022 121.223 -0.468 0.000 2.129 245 L HA -0.255 4.081 4.340 -0.007 0.000 0.212 245 L C 2.479 178.746 176.870 -1.005 0.000 1.087 245 L CA 1.820 56.307 54.840 -0.590 0.000 0.757 245 L CB -1.496 40.289 42.059 -0.457 0.000 0.896 245 L HN 0.551 nan 8.230 nan 0.000 0.434 246 T N -3.696 110.052 114.554 -1.343 0.000 2.995 246 T HA -0.114 4.232 4.350 -0.007 0.000 0.269 246 T C 1.978 176.317 174.700 -0.602 0.000 1.091 246 T CA 1.001 62.281 62.100 -1.366 0.000 1.128 246 T CB -0.307 67.762 68.868 -1.331 0.000 0.891 246 T HN 0.455 nan 8.240 nan 0.000 0.492 247 S N 0.165 115.627 115.700 -0.397 0.000 2.481 247 S HA 0.026 4.492 4.470 -0.007 0.000 0.231 247 S C 0.738 175.155 174.600 -0.304 0.000 0.996 247 S CA 0.022 58.010 58.200 -0.352 0.000 0.942 247 S CB -0.442 62.634 63.200 -0.207 0.000 0.768 247 S HN 0.536 nan 8.310 nan 0.000 0.520 248 D N 1.383 121.636 120.400 -0.245 0.000 2.423 248 D HA 0.514 5.150 4.640 -0.007 0.000 0.255 248 D C 0.655 176.890 176.300 -0.108 0.000 1.174 248 D CA 0.132 54.042 54.000 -0.150 0.000 1.008 248 D CB 1.025 41.758 40.800 -0.112 0.000 1.101 248 D HN 0.286 nan 8.370 nan 0.000 0.516 249 G N 0.821 109.570 108.800 -0.086 0.000 2.484 249 G HA2 -0.030 3.926 3.960 -0.007 0.000 0.235 249 G HA3 -0.030 3.926 3.960 -0.007 0.000 0.235 249 G C 1.063 175.945 174.900 -0.030 0.000 1.282 249 G CA -0.333 44.726 45.100 -0.067 0.000 0.857 249 G HN 0.378 nan 8.290 nan 0.000 0.571 250 R N 1.559 122.042 120.500 -0.028 0.000 2.113 250 R HA -0.120 4.216 4.340 -0.007 0.000 0.244 250 R C 2.723 178.979 176.300 -0.074 0.000 1.142 250 R CA 1.800 57.891 56.100 -0.014 0.000 0.953 250 R CB -1.240 29.045 30.300 -0.026 0.000 0.860 250 R HN 0.482 nan 8.270 nan 0.000 0.438 251 S N 0.955 116.599 115.700 -0.093 0.000 2.436 251 S HA -0.040 4.426 4.470 -0.007 0.000 0.228 251 S C 1.712 176.205 174.600 -0.178 0.000 1.014 251 S CA 0.746 58.848 58.200 -0.163 0.000 0.950 251 S CB 0.054 63.199 63.200 -0.092 0.000 0.784 251 S HN 0.310 nan 8.310 nan 0.000 0.504 252 E N 1.129 121.263 120.200 -0.110 0.000 2.031 252 E HA -0.119 4.227 4.350 -0.007 0.000 0.193 252 E C 1.562 178.115 176.600 -0.079 0.000 0.994 252 E CA 1.084 57.423 56.400 -0.102 0.000 0.800 252 E CB -0.273 29.381 29.700 -0.078 0.000 0.752 252 E HN 0.666 nan 8.360 nan 0.000 0.447 253 W N 1.029 122.198 121.300 -0.218 0.000 2.388 253 W HA -0.142 4.514 4.660 -0.006 0.000 0.294 253 W C 2.018 178.421 176.519 -0.193 0.000 1.212 253 W CA 1.242 58.465 57.345 -0.204 0.000 1.271 253 W CB -0.057 29.290 29.460 -0.188 0.000 1.126 253 W HN 0.154 nan 8.180 nan 0.000 0.535 254 A N 1.146 123.691 122.820 -0.458 0.000 1.883 254 A HA -0.293 4.023 4.320 -0.007 0.000 0.217 254 A C 1.990 179.279 177.584 -0.491 0.000 1.186 254 A CA 2.265 53.933 52.037 -0.615 0.000 0.624 254 A CB -1.043 17.520 19.000 -0.729 0.000 0.822 254 A HN 0.388 nan 8.150 nan 0.000 0.444 255 K N -0.446 119.710 120.400 -0.407 0.000 2.057 255 K HA -0.050 4.266 4.320 -0.007 0.000 0.207 255 K C 2.135 178.647 176.600 -0.146 0.000 1.049 255 K CA 1.283 57.464 56.287 -0.176 0.000 0.931 255 K CB -0.342 32.074 32.500 -0.140 0.000 0.714 255 K HN 0.352 nan 8.250 nan 0.000 0.440 256 A N 1.371 124.076 122.820 -0.192 0.000 1.873 256 A HA -0.154 4.162 4.320 -0.007 0.000 0.215 256 A C 2.168 179.781 177.584 0.049 0.000 1.186 256 A CA 1.504 53.522 52.037 -0.031 0.000 0.616 256 A CB -0.607 18.417 19.000 0.041 0.000 0.823 256 A HN 0.391 nan 8.150 nan 0.000 0.442 257 R N -0.852 119.487 120.500 -0.268 0.000 2.091 257 R HA -0.139 4.197 4.340 -0.007 0.000 0.238 257 R C 2.153 178.378 176.300 -0.125 0.000 1.136 257 R CA 2.063 57.947 56.100 -0.360 0.000 0.959 257 R CB -0.570 29.131 30.300 -0.999 0.000 0.856 257 R HN 0.501 nan 8.270 nan 0.000 0.437 258 T N 0.215 114.708 114.554 -0.103 0.000 2.746 258 T HA -0.100 4.246 4.350 -0.007 0.000 0.267 258 T C 1.787 176.518 174.700 0.051 0.000 1.039 258 T CA 1.454 63.553 62.100 -0.002 0.000 1.142 258 T CB -0.097 68.800 68.868 0.048 0.000 0.866 258 T HN 0.052 nan 8.240 nan 0.000 0.444 259 V N 1.751 121.715 119.914 0.085 0.000 2.332 259 V HA -0.147 3.969 4.120 -0.007 0.000 0.248 259 V C 2.490 178.653 176.094 0.114 0.000 1.055 259 V CA 1.488 63.855 62.300 0.113 0.000 1.038 259 V CB -0.777 31.142 31.823 0.160 0.000 0.651 259 V HN 0.463 nan 8.190 nan 0.000 0.450 260 L N -0.596 120.712 121.223 0.141 0.000 2.042 260 L HA -0.213 4.123 4.340 -0.007 0.000 0.210 260 L C 2.378 179.336 176.870 0.148 0.000 1.076 260 L CA 1.500 56.444 54.840 0.175 0.000 0.749 260 L CB -0.683 41.523 42.059 0.246 0.000 0.893 260 L HN 0.308 nan 8.230 nan 0.000 0.432 261 L N -0.215 121.073 121.223 0.109 0.000 2.450 261 L HA -0.222 4.114 4.340 -0.007 0.000 0.225 261 L C 2.356 179.266 176.870 0.067 0.000 1.145 261 L CA 1.135 56.022 54.840 0.079 0.000 0.801 261 L CB -0.479 41.610 42.059 0.050 0.000 0.924 261 L HN 0.270 nan 8.230 nan 0.000 0.447 262 K N -0.767 119.676 120.400 0.073 0.000 2.296 262 K HA -0.043 4.273 4.320 -0.007 0.000 0.200 262 K C 0.731 177.365 176.600 0.058 0.000 1.048 262 K CA 0.327 56.648 56.287 0.056 0.000 0.966 262 K CB 0.042 32.575 32.500 0.054 0.000 0.754 262 K HN 0.241 nan 8.250 nan 0.000 0.466 263 D N 0.139 120.585 120.400 0.076 0.000 2.168 263 D HA 0.026 4.662 4.640 -0.007 0.000 0.246 263 D C 0.711 177.049 176.300 0.063 0.000 1.050 263 D CA -0.111 53.932 54.000 0.071 0.000 0.857 263 D CB 1.696 42.549 40.800 0.088 0.000 1.169 263 D HN 0.025 nan 8.370 nan 0.000 0.453 264 S N 2.310 118.033 115.700 0.038 0.000 2.402 264 S HA -0.144 4.322 4.470 -0.007 0.000 0.229 264 S C 1.697 176.299 174.600 0.004 0.000 1.021 264 S CA 1.064 59.275 58.200 0.019 0.000 0.974 264 S CB -0.255 62.948 63.200 0.006 0.000 0.800 264 S HN 0.560 nan 8.310 nan 0.000 0.484 265 T N 3.459 118.016 114.554 0.006 0.000 2.569 265 T HA -0.114 4.232 4.350 -0.007 0.000 0.263 265 T C 1.765 176.450 174.700 -0.025 0.000 1.074 265 T CA 1.708 63.792 62.100 -0.027 0.000 1.176 265 T CB -0.799 68.065 68.868 -0.006 0.000 0.863 265 T HN 0.435 nan 8.240 nan 0.000 0.410 266 N N 1.370 120.121 118.700 0.083 0.000 2.036 266 N HA -0.210 4.526 4.740 -0.007 0.000 0.199 266 N C 1.905 177.484 175.510 0.114 0.000 1.036 266 N CA 1.892 55.055 53.050 0.189 0.000 0.870 266 N CB -0.596 38.094 38.487 0.338 0.000 1.055 266 N HN 0.607 nan 8.380 nan 0.000 0.436 267 R N 1.078 121.623 120.500 0.075 0.000 2.103 267 R HA -0.149 4.187 4.340 -0.007 0.000 0.242 267 R C 1.114 177.402 176.300 -0.021 0.000 1.142 267 R CA 1.956 58.082 56.100 0.043 0.000 0.960 267 R CB -0.429 29.890 30.300 0.031 0.000 0.858 267 R HN 0.131 nan 8.270 nan 0.000 0.439 268 D N 0.545 120.907 120.400 -0.063 0.000 2.116 268 D HA -0.143 4.493 4.640 -0.007 0.000 0.193 268 D C 2.028 178.215 176.300 -0.188 0.000 0.998 268 D CA 1.885 55.814 54.000 -0.119 0.000 0.836 268 D CB -0.320 40.406 40.800 -0.123 0.000 0.951 268 D HN 0.307 nan 8.370 nan 0.000 0.449 269 S N 0.247 115.775 115.700 -0.287 0.000 2.355 269 S HA -0.044 4.422 4.470 -0.007 0.000 0.222 269 S C 2.270 176.671 174.600 -0.333 0.000 1.031 269 S CA 0.436 58.323 58.200 -0.521 0.000 0.993 269 S CB -0.247 62.286 63.200 -1.111 0.000 0.859 269 S HN 0.208 nan 8.310 nan 0.000 0.453 270 L N 1.279 122.441 121.223 -0.102 0.000 2.042 270 L HA -0.193 4.143 4.340 -0.007 0.000 0.210 270 L C 2.387 179.180 176.870 -0.129 0.000 1.076 270 L CA 1.617 56.461 54.840 0.006 0.000 0.749 270 L CB -0.650 41.524 42.059 0.191 0.000 0.893 270 L HN 0.293 nan 8.230 nan 0.000 0.432 271 D N -0.421 119.909 120.400 -0.116 0.000 2.149 271 D HA -0.219 4.417 4.640 -0.007 0.000 0.198 271 D C 2.297 178.530 176.300 -0.111 0.000 0.990 271 D CA 1.203 55.131 54.000 -0.120 0.000 0.839 271 D CB 0.136 40.888 40.800 -0.079 0.000 0.948 271 D HN 0.049 nan 8.370 nan 0.000 0.460 272 M N 0.062 119.584 119.600 -0.130 0.000 2.073 272 M HA -0.168 4.308 4.480 -0.007 0.000 0.258 272 M C 2.462 178.765 176.300 0.004 0.000 1.070 272 M CA 1.251 56.503 55.300 -0.080 0.000 1.103 272 M CB -1.069 31.411 32.600 -0.200 0.000 1.321 272 M HN 0.230 nan 8.290 nan 0.000 0.405 273 I N -0.139 120.317 120.570 -0.191 0.000 2.226 273 I HA -0.273 3.893 4.170 -0.007 0.000 0.245 273 I C 2.144 178.164 176.117 -0.163 0.000 1.100 273 I CA 1.285 62.416 61.300 -0.281 0.000 1.374 273 I CB -0.464 37.096 38.000 -0.733 0.000 1.057 273 I HN 0.384 nan 8.210 nan 0.000 0.413 274 E N 0.465 120.493 120.200 -0.285 0.000 2.333 274 E HA -0.157 4.189 4.350 -0.007 0.000 0.198 274 E C 1.917 178.450 176.600 -0.110 0.000 1.007 274 E CA 0.683 56.843 56.400 -0.400 0.000 0.845 274 E CB 0.038 29.361 29.700 -0.627 0.000 0.766 274 E HN 0.476 nan 8.360 nan 0.000 0.507 275 R N 0.236 120.709 120.500 -0.046 0.000 2.334 275 R HA 0.120 4.456 4.340 -0.007 0.000 0.212 275 R C 1.168 177.395 176.300 -0.122 0.000 0.897 275 R CA -0.046 56.046 56.100 -0.013 0.000 1.056 275 R CB -0.019 30.305 30.300 0.039 0.000 1.046 275 R HN 0.190 nan 8.270 nan 0.000 0.513 276 C N -0.544 118.666 119.300 -0.150 0.000 2.801 276 C HA 0.120 4.576 4.460 -0.007 0.000 0.376 276 C C 1.979 176.883 174.990 -0.142 0.000 1.323 276 C CA -0.683 58.131 59.018 -0.340 0.000 2.170 276 C CB 0.030 27.701 27.740 -0.114 0.000 2.650 276 C HN 0.345 nan 8.230 nan 0.000 0.736 277 I N 1.184 121.682 120.570 -0.121 0.000 2.333 277 I HA 0.098 4.264 4.170 -0.007 0.000 0.246 277 I C 1.197 177.456 176.117 0.237 0.000 1.106 277 I CA 1.724 63.047 61.300 0.039 0.000 1.411 277 I CB -0.246 37.681 38.000 -0.122 0.000 1.082 277 I HN 1.058 nan 8.210 nan 0.000 0.420 278 C N -2.326 117.092 119.300 0.197 0.000 3.216 278 C HA 0.569 5.025 4.460 -0.007 0.000 0.346 278 C C -1.088 174.044 174.990 0.237 0.000 1.384 278 C CA -1.591 57.598 59.018 0.286 0.000 1.208 278 C CB 0.547 28.565 27.740 0.463 0.000 1.483 278 C HN 0.009 nan 8.230 nan 0.000 0.453 279 L N 1.190 122.560 121.223 0.245 0.000 2.334 279 L HA 0.777 5.113 4.340 -0.007 0.000 0.275 279 L C -0.202 176.846 176.870 0.298 0.000 1.036 279 L CA -0.268 54.718 54.840 0.242 0.000 0.807 279 L CB 1.895 44.083 42.059 0.214 0.000 1.231 279 L HN 0.716 nan 8.230 nan 0.000 0.438 280 V N 1.695 121.770 119.914 0.268 0.000 2.334 280 V HA 0.274 4.390 4.120 -0.007 0.000 0.281 280 V C -0.685 175.527 176.094 0.196 0.000 1.016 280 V CA -0.656 61.795 62.300 0.253 0.000 0.832 280 V CB 1.240 33.186 31.823 0.205 0.000 0.999 280 V HN 0.769 nan 8.190 nan 0.000 0.439 281 C N 6.475 125.875 119.300 0.166 0.000 2.239 281 C HA 0.464 4.920 4.460 -0.007 0.000 0.325 281 C C 0.674 175.719 174.990 0.092 0.000 1.231 281 C CA -0.843 58.242 59.018 0.113 0.000 1.652 281 C CB -0.308 27.477 27.740 0.076 0.000 2.284 281 C HN 0.735 nan 8.230 nan 0.000 0.499 282 L N 3.931 125.193 121.223 0.066 0.000 2.399 282 L HA 0.173 4.509 4.340 -0.007 0.000 0.257 282 L C -0.032 176.857 176.870 0.030 0.000 1.236 282 L CA 0.109 54.974 54.840 0.042 0.000 1.144 282 L CB -0.628 41.441 42.059 0.017 0.000 1.379 282 L HN 0.636 nan 8.230 nan 0.000 0.414 283 D N 1.759 122.179 120.400 0.033 0.000 2.443 283 D HA 0.160 4.796 4.640 -0.007 0.000 0.239 283 D C 0.753 177.068 176.300 0.025 0.000 1.136 283 D CA 0.292 54.306 54.000 0.023 0.000 0.879 283 D CB 1.283 42.093 40.800 0.016 0.000 1.195 283 D HN 0.436 nan 8.370 nan 0.000 0.443 284 G N 1.546 110.358 108.800 0.018 0.000 2.699 284 G HA2 0.274 4.229 3.960 -0.007 0.000 0.246 284 G HA3 0.274 4.229 3.960 -0.007 0.000 0.246 284 G C -2.266 172.647 174.900 0.021 0.000 1.219 284 G CA -0.859 44.253 45.100 0.020 0.000 0.866 284 G HN 0.325 nan 8.290 nan 0.000 0.572 285 P HA 0.229 nan 4.420 nan 0.000 0.271 285 P C 0.517 177.824 177.300 0.012 0.000 1.220 285 P CA 0.004 63.117 63.100 0.021 0.000 0.768 285 P CB 1.084 32.802 31.700 0.031 0.000 0.848 286 G N 1.667 110.468 108.800 0.001 0.000 2.543 286 G HA2 0.270 4.226 3.960 -0.007 0.000 0.290 286 G HA3 0.270 4.226 3.960 -0.007 0.000 0.290 286 G C 0.833 175.743 174.900 0.016 0.000 1.310 286 G CA -0.252 44.844 45.100 -0.006 0.000 1.025 286 G HN 0.455 nan 8.290 nan 0.000 0.502 287 T N -0.553 114.011 114.554 0.017 0.000 2.918 287 T HA -0.183 4.163 4.350 -0.007 0.000 0.249 287 T C 1.451 176.194 174.700 0.073 0.000 1.040 287 T CA 2.600 64.725 62.100 0.042 0.000 1.160 287 T CB -0.795 68.084 68.868 0.018 0.000 0.819 287 T HN 2.260 nan 8.240 nan 0.000 0.495 288 G N 1.660 110.508 108.800 0.081 0.000 2.459 288 G HA2 0.339 4.295 3.960 -0.007 0.000 0.273 288 G HA3 0.339 4.295 3.960 -0.007 0.000 0.273 288 G C -0.682 174.288 174.900 0.116 0.000 1.070 288 G CA -0.215 44.935 45.100 0.083 0.000 1.287 288 G HN 0.944 nan 8.290 nan 0.000 0.642 289 E N -0.528 119.747 120.200 0.126 0.000 2.429 289 E HA 0.774 5.120 4.350 -0.007 0.000 0.280 289 E C 0.019 176.697 176.600 0.131 0.000 1.068 289 E CA -1.101 55.399 56.400 0.167 0.000 0.837 289 E CB 1.013 30.773 29.700 0.101 0.000 1.357 289 E HN 0.743 nan 8.360 nan 0.000 0.455 290 L N -0.984 120.317 121.223 0.130 0.000 4.228 290 L HA 0.232 4.568 4.340 -0.007 0.000 0.415 290 L C 0.180 177.121 176.870 0.117 0.000 1.154 290 L CA -0.226 54.676 54.840 0.103 0.000 1.451 290 L CB 0.387 42.485 42.059 0.065 0.000 1.562 290 L HN 0.580 nan 8.230 nan 0.000 0.617 291 S N -0.980 114.810 115.700 0.150 0.000 2.608 291 S HA 0.224 4.689 4.470 -0.007 0.000 0.261 291 S C 0.651 175.362 174.600 0.186 0.000 1.314 291 S CA -0.138 58.143 58.200 0.135 0.000 0.992 291 S CB 1.133 64.390 63.200 0.096 0.000 0.935 291 S HN 0.128 nan 8.310 nan 0.000 0.564 292 D N 1.151 121.659 120.400 0.180 0.000 2.117 292 D HA -0.047 4.589 4.640 -0.007 0.000 0.197 292 D C 2.040 178.560 176.300 0.367 0.000 0.987 292 D CA 1.697 55.867 54.000 0.282 0.000 0.829 292 D CB -0.931 39.969 40.800 0.167 0.000 0.961 292 D HN 0.702 nan 8.370 nan 0.000 0.460 293 T N -0.019 114.683 114.554 0.247 0.000 2.652 293 T HA -0.187 4.159 4.350 -0.007 0.000 0.267 293 T C 1.754 176.714 174.700 0.433 0.000 1.039 293 T CA 1.308 63.610 62.100 0.337 0.000 1.153 293 T CB -0.361 68.615 68.868 0.180 0.000 0.863 293 T HN 0.190 nan 8.240 nan 0.000 0.428 294 H N 1.132 120.307 119.070 0.174 0.000 2.353 294 H HA 0.129 4.681 4.556 -0.007 0.000 0.300 294 H C 2.483 177.870 175.328 0.099 0.000 1.090 294 H CA 1.118 57.244 56.048 0.130 0.000 1.327 294 H CB -0.094 29.727 29.762 0.098 0.000 1.383 294 H HN 0.220 nan 8.280 nan 0.000 0.508 295 R N -0.284 120.310 120.500 0.157 0.000 2.115 295 R HA -0.021 4.315 4.340 -0.007 0.000 0.230 295 R C 2.308 178.608 176.300 0.001 0.000 1.111 295 R CA 0.853 56.979 56.100 0.043 0.000 0.976 295 R CB -0.115 30.218 30.300 0.055 0.000 0.870 295 R HN 0.263 nan 8.270 nan 0.000 0.445 296 A N 1.132 124.031 122.820 0.133 0.000 1.969 296 A HA -0.073 4.243 4.320 -0.007 0.000 0.218 296 A C 2.139 179.618 177.584 -0.175 0.000 1.169 296 A CA 0.876 52.933 52.037 0.033 0.000 0.635 296 A CB -0.333 18.879 19.000 0.353 0.000 0.810 296 A HN 0.159 nan 8.150 nan 0.000 0.445 297 L N -0.924 120.237 121.223 -0.104 0.000 2.093 297 L HA -0.225 4.111 4.340 -0.007 0.000 0.208 297 L C 2.860 179.467 176.870 -0.438 0.000 1.085 297 L CA 1.705 56.345 54.840 -0.333 0.000 0.755 297 L CB -0.501 41.539 42.059 -0.032 0.000 0.904 297 L HN 0.607 nan 8.230 nan 0.000 0.435 298 Q N 0.477 120.141 119.800 -0.226 0.000 2.061 298 Q HA -0.246 4.090 4.340 -0.007 0.000 0.204 298 Q C 2.377 178.287 176.000 -0.151 0.000 0.984 298 Q CA 1.748 57.465 55.803 -0.144 0.000 0.846 298 Q CB -0.079 28.593 28.738 -0.109 0.000 0.902 298 Q HN 0.485 nan 8.270 nan 0.000 0.421 299 L N 0.025 121.139 121.223 -0.182 0.000 2.056 299 L HA -0.174 4.162 4.340 -0.007 0.000 0.207 299 L C 2.370 179.143 176.870 -0.162 0.000 1.078 299 L CA 0.813 55.548 54.840 -0.174 0.000 0.749 299 L CB -0.152 41.777 42.059 -0.217 0.000 0.901 299 L HN 0.352 nan 8.230 nan 0.000 0.433 300 L N -0.995 120.074 121.223 -0.257 0.000 2.109 300 L HA -0.185 4.151 4.340 -0.007 0.000 0.207 300 L C 1.735 178.572 176.870 -0.055 0.000 1.086 300 L CA 1.258 55.969 54.840 -0.215 0.000 0.760 300 L CB -0.265 41.565 42.059 -0.382 0.000 0.910 300 L HN 0.567 nan 8.230 nan 0.000 0.437 301 H N -4.309 114.776 119.070 0.026 0.000 3.726 301 H HA 0.320 4.872 4.556 -0.007 0.000 0.262 301 H C 1.116 176.482 175.328 0.063 0.000 1.181 301 H CA -0.161 55.922 56.048 0.059 0.000 1.143 301 H CB -0.291 29.474 29.762 0.005 0.000 1.627 301 H HN 0.040 nan 8.280 nan 0.000 0.750 302 G N 0.540 109.476 108.800 0.227 0.000 2.175 302 G HA2 -0.109 3.846 3.960 -0.007 0.000 0.265 302 G HA3 -0.109 3.846 3.960 -0.007 0.000 0.265 302 G C 1.531 176.546 174.900 0.190 0.000 0.979 302 G CA 1.275 46.464 45.100 0.148 0.000 0.663 302 G HN 1.674 nan 8.290 nan 0.000 0.533 303 G N -1.965 107.069 108.800 0.390 0.000 2.199 303 G HA2 0.397 4.353 3.960 -0.007 0.000 0.254 303 G HA3 0.397 4.353 3.960 -0.007 0.000 0.254 303 G C 1.452 176.369 174.900 0.028 0.000 0.982 303 G CA 0.637 45.835 45.100 0.164 0.000 0.632 303 G HN 2.964 nan 8.290 nan 0.000 0.529 304 G N -2.140 106.666 108.800 0.010 0.000 2.610 304 G HA2 0.105 4.061 3.960 -0.007 0.000 0.304 304 G HA3 0.105 4.061 3.960 -0.007 0.000 0.304 304 G C 1.455 176.354 174.900 -0.000 0.000 1.309 304 G CA 0.894 45.973 45.100 -0.034 0.000 0.906 304 G HN 1.827 nan 8.290 nan 0.000 0.521 305 C N -0.121 119.170 119.300 -0.015 0.000 2.304 305 C HA -0.180 4.276 4.460 -0.007 0.000 0.269 305 C C 3.471 178.460 174.990 -0.001 0.000 1.136 305 C CA 3.990 63.002 59.018 -0.010 0.000 1.796 305 C CB -1.446 26.284 27.740 -0.018 0.000 2.017 305 C HN 2.233 nan 8.230 nan 0.000 0.431 306 S N -0.451 115.249 115.700 -0.001 0.000 2.561 306 S HA 0.185 4.651 4.470 -0.007 0.000 0.225 306 S C 1.017 175.622 174.600 0.009 0.000 0.977 306 S CA 0.783 58.986 58.200 0.004 0.000 0.926 306 S CB -0.310 62.893 63.200 0.004 0.000 0.769 306 S HN 0.711 nan 8.310 nan 0.000 0.533 307 L N 0.458 121.688 121.223 0.012 0.000 2.727 307 L HA 0.436 4.772 4.340 -0.007 0.000 0.210 307 L C 0.984 177.865 176.870 0.019 0.000 1.934 307 L CA -0.710 54.140 54.840 0.016 0.000 2.874 307 L CB -0.071 42.000 42.059 0.020 0.000 2.806 307 L HN 0.061 nan 8.230 nan 0.000 0.676 308 N N 0.569 119.283 118.700 0.024 0.000 2.362 308 N HA 0.012 4.748 4.740 -0.007 0.000 0.204 308 N C 1.181 176.717 175.510 0.044 0.000 1.166 308 N CA 0.419 53.485 53.050 0.026 0.000 0.831 308 N CB 0.396 38.894 38.487 0.018 0.000 1.008 308 N HN 0.622 nan 8.380 nan 0.000 0.472 309 G N 0.234 109.069 108.800 0.058 0.000 2.534 309 G HA2 -0.073 3.883 3.960 -0.007 0.000 0.217 309 G HA3 -0.073 3.883 3.960 -0.007 0.000 0.217 309 G C 1.267 176.216 174.900 0.081 0.000 1.128 309 G CA 0.594 45.750 45.100 0.092 0.000 0.784 309 G HN 0.343 nan 8.290 nan 0.000 0.542 310 A N -0.140 122.707 122.820 0.044 0.000 2.308 310 A HA 0.233 4.549 4.320 -0.007 0.000 0.217 310 A C 1.288 178.904 177.584 0.054 0.000 1.216 310 A CA -0.269 51.792 52.037 0.040 0.000 0.864 310 A CB -0.150 18.859 19.000 0.016 0.000 0.902 310 A HN 0.329 nan 8.150 nan 0.000 0.499 311 N N 1.278 119.999 118.700 0.034 0.000 3.250 311 N HA 0.109 4.845 4.740 -0.007 0.000 0.307 311 N C -0.870 174.679 175.510 0.066 0.000 1.355 311 N CA 0.003 53.063 53.050 0.017 0.000 1.192 311 N CB -0.057 38.428 38.487 -0.004 0.000 1.478 311 N HN 0.175 nan 8.380 nan 0.000 0.543 312 R N 0.646 121.235 120.500 0.147 0.000 2.692 312 R HA 0.297 4.633 4.340 -0.007 0.000 0.269 312 R C -1.617 174.788 176.300 0.176 0.000 1.030 312 R CA -0.557 55.539 56.100 -0.006 0.000 0.882 312 R CB 1.243 31.331 30.300 -0.354 0.000 1.250 312 R HN 0.304 nan 8.270 nan 0.000 0.465 313 W N 3.042 124.236 121.300 -0.177 0.000 2.527 313 W HA 0.198 4.854 4.660 -0.006 0.000 0.293 313 W C -0.677 175.739 176.519 -0.172 0.000 1.036 313 W CA -0.525 56.736 57.345 -0.140 0.000 1.233 313 W CB 0.498 29.915 29.460 -0.072 0.000 1.116 313 W HN 0.703 nan 8.180 nan 0.000 0.335 314 Y N 1.413 121.589 120.300 -0.207 0.000 2.421 314 Y HA -0.181 4.366 4.550 -0.006 0.000 0.292 314 Y C 1.976 177.798 175.900 -0.129 0.000 1.136 314 Y CA 1.462 59.470 58.100 -0.154 0.000 1.255 314 Y CB 0.028 38.364 38.460 -0.207 0.000 0.991 314 Y HN 0.128 nan 8.280 nan 0.000 0.552 315 D N 0.058 120.438 120.400 -0.034 0.000 2.348 315 D HA -0.052 4.583 4.640 -0.007 0.000 0.216 315 D C 0.681 176.801 176.300 -0.300 0.000 0.970 315 D CA 0.738 54.623 54.000 -0.193 0.000 0.889 315 D CB -0.064 40.467 40.800 -0.449 0.000 0.912 315 D HN 0.066 nan 8.370 nan 0.000 0.524 316 K N 0.165 120.598 120.400 0.055 0.000 2.205 316 K HA 0.188 4.504 4.320 -0.007 0.000 0.279 316 K C 0.949 177.592 176.600 0.071 0.000 1.027 316 K CA -0.106 56.262 56.287 0.135 0.000 0.932 316 K CB 1.022 33.686 32.500 0.274 0.000 1.032 316 K HN -0.326 nan 8.250 nan 0.000 0.466 317 S N 3.021 118.779 115.700 0.096 0.000 2.423 317 S HA 0.031 4.497 4.470 -0.007 0.000 0.231 317 S C 0.266 174.920 174.600 0.091 0.000 1.014 317 S CA 0.615 58.867 58.200 0.087 0.000 0.965 317 S CB -0.224 63.120 63.200 0.239 0.000 0.785 317 S HN 0.476 nan 8.310 nan 0.000 0.495 318 L N 1.690 122.948 121.223 0.059 0.000 2.376 318 L HA 0.434 4.770 4.340 -0.007 0.000 0.275 318 L C -0.860 175.909 176.870 -0.168 0.000 0.987 318 L CA -0.335 54.427 54.840 -0.129 0.000 0.828 318 L CB 1.872 43.835 42.059 -0.160 0.000 1.249 318 L HN 0.005 nan 8.230 nan 0.000 0.409 319 Q N 3.853 123.488 119.800 -0.276 0.000 2.363 319 Q HA 0.441 4.777 4.340 -0.007 0.000 0.265 319 Q C -1.324 174.532 176.000 -0.240 0.000 1.032 319 Q CA -0.447 55.267 55.803 -0.148 0.000 0.746 319 Q CB 1.855 30.524 28.738 -0.115 0.000 1.237 319 Q HN 0.390 nan 8.270 nan 0.000 0.475 320 F N 1.529 121.528 119.950 0.082 0.000 2.445 320 F HA 0.209 4.732 4.527 -0.006 0.000 0.359 320 F C 0.322 176.162 175.800 0.066 0.000 1.101 320 F CA -0.719 57.332 58.000 0.085 0.000 1.177 320 F CB 0.793 39.886 39.000 0.155 0.000 1.110 320 F HN 0.173 nan 8.300 nan 0.000 0.522 321 V N 5.245 125.245 119.914 0.143 0.000 2.406 321 V HA 0.299 4.415 4.120 -0.007 0.000 0.272 321 V C -0.231 175.934 176.094 0.119 0.000 1.043 321 V CA -0.569 61.774 62.300 0.072 0.000 0.915 321 V CB 1.328 33.132 31.823 -0.031 0.000 0.988 321 V HN 0.474 nan 8.190 nan 0.000 0.466 322 V N 5.017 125.012 119.914 0.136 0.000 2.327 322 V HA 0.524 4.639 4.120 -0.007 0.000 0.272 322 V C 0.714 176.871 176.094 0.104 0.000 1.019 322 V CA -0.472 61.906 62.300 0.131 0.000 0.814 322 V CB 1.282 33.224 31.823 0.199 0.000 1.040 322 V HN 0.895 nan 8.190 nan 0.000 0.440 323 G N 2.185 111.045 108.800 0.101 0.000 2.444 323 G HA2 0.389 4.345 3.960 -0.007 0.000 0.268 323 G HA3 0.389 4.345 3.960 -0.007 0.000 0.268 323 G C 0.692 175.697 174.900 0.176 0.000 1.203 323 G CA -0.416 44.734 45.100 0.083 0.000 0.835 323 G HN 0.659 nan 8.290 nan 0.000 0.543 324 R N 0.912 121.491 120.500 0.132 0.000 2.105 324 R HA -0.132 4.204 4.340 -0.007 0.000 0.239 324 R C 1.843 178.271 176.300 0.214 0.000 1.135 324 R CA 2.241 58.444 56.100 0.171 0.000 0.967 324 R CB -0.254 30.099 30.300 0.088 0.000 0.861 324 R HN 0.634 nan 8.270 nan 0.000 0.442 325 D N -2.017 118.439 120.400 0.094 0.000 2.355 325 D HA 0.111 4.747 4.640 -0.007 0.000 0.218 325 D C 1.130 177.339 176.300 -0.153 0.000 1.004 325 D CA 0.864 54.865 54.000 0.002 0.000 0.880 325 D CB -0.019 40.776 40.800 -0.007 0.000 0.911 325 D HN 0.396 nan 8.370 nan 0.000 0.528 326 G N -1.006 107.644 108.800 -0.249 0.000 2.218 326 G HA2 -0.227 3.729 3.960 -0.007 0.000 0.216 326 G HA3 -0.227 3.729 3.960 -0.007 0.000 0.216 326 G C 0.366 175.019 174.900 -0.412 0.000 0.994 326 G CA 0.111 44.793 45.100 -0.697 0.000 0.637 326 G HN 0.427 nan 8.290 nan 0.000 0.505 327 T N 1.349 115.790 114.554 -0.189 0.000 2.794 327 T HA 0.511 4.857 4.350 -0.007 0.000 0.296 327 T C 0.072 174.700 174.700 -0.119 0.000 0.949 327 T CA 0.557 62.574 62.100 -0.138 0.000 1.101 327 T CB 1.163 69.976 68.868 -0.092 0.000 0.905 327 T HN 0.523 nan 8.240 nan 0.000 0.516 328 C N 2.574 121.788 119.300 -0.144 0.000 2.898 328 C HA 1.015 5.471 4.460 -0.007 0.000 0.304 328 C C 0.831 175.556 174.990 -0.442 0.000 1.237 328 C CA -0.480 58.464 59.018 -0.124 0.000 1.529 328 C CB 1.341 29.091 27.740 0.017 0.000 2.021 328 C HN 1.187 nan 8.230 nan 0.000 0.474 329 G N -0.067 108.363 108.800 -0.616 0.000 2.367 329 G HA2 0.479 4.435 3.960 -0.007 0.000 0.272 329 G HA3 0.479 4.435 3.960 -0.007 0.000 0.272 329 G C -2.094 172.454 174.900 -0.586 0.000 1.271 329 G CA 0.223 44.544 45.100 -1.299 0.000 0.893 329 G HN 1.317 nan 8.290 nan 0.000 0.485 330 V N -0.290 119.348 119.914 -0.459 0.000 2.686 330 V HA 0.729 4.845 4.120 -0.007 0.000 0.306 330 V C -0.794 175.136 176.094 -0.272 0.000 1.065 330 V CA -0.618 61.479 62.300 -0.338 0.000 0.894 330 V CB 1.439 33.042 31.823 -0.366 0.000 1.004 330 V HN 1.516 nan 8.190 nan 0.000 0.424 331 V N 7.603 127.369 119.914 -0.247 0.000 2.427 331 V HA 0.641 4.757 4.120 -0.007 0.000 0.286 331 V C -0.132 175.875 176.094 -0.145 0.000 1.034 331 V CA -0.144 62.063 62.300 -0.155 0.000 0.893 331 V CB 1.277 33.040 31.823 -0.101 0.000 0.982 331 V HN 1.172 nan 8.190 nan 0.000 0.452 332 C N 6.861 126.101 119.300 -0.100 0.000 2.351 332 C HA 0.575 5.031 4.460 -0.007 0.000 0.326 332 C C -0.118 174.797 174.990 -0.126 0.000 1.272 332 C CA -0.665 58.288 59.018 -0.109 0.000 1.650 332 C CB 1.076 28.745 27.740 -0.119 0.000 2.257 332 C HN 0.979 nan 8.230 nan 0.000 0.505 333 E N 3.331 123.434 120.200 -0.162 0.000 2.152 333 E HA 0.108 4.454 4.350 -0.007 0.000 0.285 333 E C 0.647 177.002 176.600 -0.407 0.000 1.043 333 E CA 0.217 56.498 56.400 -0.198 0.000 0.839 333 E CB 0.302 29.917 29.700 -0.140 0.000 1.069 333 E HN 0.918 nan 8.360 nan 0.000 0.399 334 H N 3.087 121.845 119.070 -0.521 0.000 2.502 334 H HA -0.071 4.481 4.556 -0.006 0.000 0.283 334 H C 1.863 176.565 175.328 -1.042 0.000 1.015 334 H CA 1.444 57.053 56.048 -0.732 0.000 1.298 334 H CB 0.424 29.848 29.762 -0.565 0.000 1.411 334 H HN 0.527 nan 8.280 nan 0.000 0.556 335 S N 0.664 115.862 115.700 -0.837 0.000 2.374 335 S HA -0.073 4.393 4.470 -0.007 0.000 0.227 335 S C -0.674 173.703 174.600 -0.371 0.000 1.037 335 S CA 1.057 58.817 58.200 -0.733 0.000 1.024 335 S CB -0.923 62.020 63.200 -0.428 0.000 0.861 335 S HN 0.340 nan 8.310 nan 0.000 0.456 336 P HA 0.287 nan 4.420 nan 0.000 0.235 336 P C 0.047 177.333 177.300 -0.024 0.000 1.177 336 P CA 0.383 63.408 63.100 -0.125 0.000 0.785 336 P CB -0.221 31.477 31.700 -0.003 0.000 0.885 337 F N -3.292 116.659 119.950 0.002 0.000 2.719 337 F HA 0.551 5.075 4.527 -0.006 0.000 0.309 337 F C -0.849 174.972 175.800 0.035 0.000 1.138 337 F CA -1.403 56.592 58.000 -0.008 0.000 0.943 337 F CB 0.337 39.258 39.000 -0.131 0.000 1.304 337 F HN -0.397 nan 8.300 nan 0.000 0.445 338 D N 0.274 120.809 120.400 0.226 0.000 2.539 338 D HA 0.363 4.999 4.640 -0.007 0.000 0.276 338 D C 1.115 177.477 176.300 0.102 0.000 1.206 338 D CA -0.072 54.049 54.000 0.203 0.000 1.081 338 D CB 1.168 42.120 40.800 0.252 0.000 1.142 338 D HN 0.867 nan 8.370 nan 0.000 0.595 339 G N -0.055 108.783 108.800 0.064 0.000 2.448 339 G HA2 -0.131 3.825 3.960 -0.007 0.000 0.218 339 G HA3 -0.131 3.825 3.960 -0.007 0.000 0.218 339 G C 1.367 176.297 174.900 0.049 0.000 1.135 339 G CA 0.293 45.411 45.100 0.032 0.000 0.784 339 G HN 0.294 nan 8.290 nan 0.000 0.543 340 I N 1.051 121.654 120.570 0.055 0.000 2.286 340 I HA -0.054 4.112 4.170 -0.007 0.000 0.245 340 I C 2.868 178.994 176.117 0.015 0.000 1.104 340 I CA 0.561 61.891 61.300 0.050 0.000 1.397 340 I CB -1.093 36.944 38.000 0.061 0.000 1.072 340 I HN 0.021 nan 8.210 nan 0.000 0.417 341 V N 1.248 121.127 119.914 -0.059 0.000 2.427 341 V HA -0.217 3.899 4.120 -0.007 0.000 0.248 341 V C 2.557 178.500 176.094 -0.253 0.000 1.051 341 V CA 1.291 63.414 62.300 -0.295 0.000 1.048 341 V CB -0.532 30.964 31.823 -0.545 0.000 0.666 341 V HN 0.399 nan 8.190 nan 0.000 0.456 342 L N -0.327 120.838 121.223 -0.098 0.000 2.056 342 L HA -0.115 4.221 4.340 -0.007 0.000 0.207 342 L C 2.337 179.193 176.870 -0.023 0.000 1.078 342 L CA 1.591 56.390 54.840 -0.068 0.000 0.749 342 L CB -0.116 41.995 42.059 0.087 0.000 0.901 342 L HN 0.159 nan 8.230 nan 0.000 0.433 343 V N 0.055 119.980 119.914 0.018 0.000 2.453 343 V HA -0.202 3.914 4.120 -0.007 0.000 0.247 343 V C 2.590 178.715 176.094 0.051 0.000 1.048 343 V CA 1.472 63.802 62.300 0.050 0.000 1.049 343 V CB -0.405 31.458 31.823 0.066 0.000 0.672 343 V HN 0.522 nan 8.190 nan 0.000 0.457 344 Q N -1.091 118.747 119.800 0.063 0.000 2.119 344 Q HA -0.214 4.122 4.340 -0.007 0.000 0.201 344 Q C 2.474 178.527 176.000 0.088 0.000 0.972 344 Q CA 1.905 57.789 55.803 0.135 0.000 0.847 344 Q CB -0.681 28.213 28.738 0.260 0.000 0.903 344 Q HN 0.753 nan 8.270 nan 0.000 0.433 345 C N 0.563 119.839 119.300 -0.040 0.000 2.462 345 C HA -0.113 4.343 4.460 -0.007 0.000 0.278 345 C C 2.816 177.647 174.990 -0.265 0.000 1.253 345 C CA 1.475 60.272 59.018 -0.368 0.000 1.713 345 C CB -0.894 26.582 27.740 -0.438 0.000 2.049 345 C HN 0.477 nan 8.230 nan 0.000 0.477 346 T N 0.681 115.203 114.554 -0.054 0.000 2.788 346 T HA -0.153 4.193 4.350 -0.007 0.000 0.268 346 T C 1.597 176.297 174.700 0.001 0.000 1.044 346 T CA 2.009 64.146 62.100 0.061 0.000 1.139 346 T CB -0.390 68.585 68.868 0.178 0.000 0.867 346 T HN 0.708 nan 8.240 nan 0.000 0.454 347 E N -0.180 120.031 120.200 0.018 0.000 2.152 347 E HA -0.123 4.223 4.350 -0.007 0.000 0.192 347 E C 1.968 178.586 176.600 0.030 0.000 0.983 347 E CA 0.744 57.149 56.400 0.009 0.000 0.818 347 E CB -0.147 29.576 29.700 0.037 0.000 0.758 347 E HN 0.671 nan 8.360 nan 0.000 0.467 348 H N 0.961 120.003 119.070 -0.046 0.000 2.357 348 H HA -0.050 4.502 4.556 -0.007 0.000 0.301 348 H C 2.085 177.384 175.328 -0.048 0.000 1.082 348 H CA 1.281 57.330 56.048 0.001 0.000 1.342 348 H CB 0.074 29.896 29.762 0.101 0.000 1.389 348 H HN 0.024 nan 8.280 nan 0.000 0.511 349 L N 0.081 121.323 121.223 0.032 0.000 2.017 349 L HA -0.191 4.145 4.340 -0.007 0.000 0.208 349 L C 2.507 179.302 176.870 -0.124 0.000 1.073 349 L CA 1.007 55.800 54.840 -0.079 0.000 0.745 349 L CB -0.476 41.486 42.059 -0.161 0.000 0.894 349 L HN 0.359 nan 8.230 nan 0.000 0.432 350 L N -0.275 120.855 121.223 -0.154 0.000 2.017 350 L HA -0.232 4.104 4.340 -0.007 0.000 0.208 350 L C 2.691 179.484 176.870 -0.129 0.000 1.073 350 L CA 1.506 56.228 54.840 -0.198 0.000 0.745 350 L CB -0.577 41.328 42.059 -0.257 0.000 0.894 350 L HN 0.242 nan 8.230 nan 0.000 0.432 351 K N -0.849 119.488 120.400 -0.105 0.000 2.063 351 K HA -0.248 4.068 4.320 -0.007 0.000 0.208 351 K C 2.095 178.642 176.600 -0.088 0.000 1.048 351 K CA 1.611 57.834 56.287 -0.105 0.000 0.928 351 K CB -0.242 32.179 32.500 -0.131 0.000 0.713 351 K HN 0.311 nan 8.250 nan 0.000 0.442 352 H N 0.377 119.323 119.070 -0.206 0.000 2.319 352 H HA -0.038 4.514 4.556 -0.007 0.000 0.299 352 H C 1.869 177.104 175.328 -0.155 0.000 1.092 352 H CA 1.958 57.903 56.048 -0.173 0.000 1.302 352 H CB 0.128 29.816 29.762 -0.124 0.000 1.373 352 H HN 0.075 nan 8.280 nan 0.000 0.497 353 M N -0.577 119.018 119.600 -0.009 0.000 2.476 353 M HA -0.069 4.407 4.480 -0.007 0.000 0.262 353 M C 1.416 177.651 176.300 -0.107 0.000 1.079 353 M CA 1.045 56.285 55.300 -0.099 0.000 1.104 353 M CB 0.231 32.690 32.600 -0.236 0.000 1.409 353 M HN 0.377 nan 8.290 nan 0.000 0.467 354 M N -0.756 118.788 119.600 -0.094 0.000 2.495 354 M HA 0.081 4.557 4.480 -0.007 0.000 0.237 354 M C 0.026 176.272 176.300 -0.090 0.000 1.131 354 M CA 0.349 55.602 55.300 -0.079 0.000 1.032 354 M CB -0.037 32.525 32.600 -0.063 0.000 1.513 354 M HN 0.006 nan 8.290 nan 0.000 0.488 355 T N -0.140 114.340 114.554 -0.122 0.000 2.922 355 T HA 0.422 4.768 4.350 -0.007 0.000 0.285 355 T C 0.900 175.507 174.700 -0.155 0.000 1.005 355 T CA -0.213 61.802 62.100 -0.143 0.000 1.061 355 T CB 1.698 70.453 68.868 -0.189 0.000 1.007 355 T HN 0.379 nan 8.240 nan 0.000 0.502 356 S N 0.693 116.315 115.700 -0.129 0.000 3.897 356 S HA -0.007 4.459 4.470 -0.007 0.000 0.214 356 S C 1.470 176.011 174.600 -0.099 0.000 1.102 356 S CA 0.187 58.315 58.200 -0.119 0.000 1.116 356 S CB -0.944 62.203 63.200 -0.089 0.000 1.288 356 S HN 0.702 nan 8.310 nan 0.000 0.458 357 N N 2.736 121.387 118.700 -0.082 0.000 2.299 357 N HA -0.310 4.426 4.740 -0.007 0.000 0.201 357 N C 1.168 176.636 175.510 -0.069 0.000 0.973 357 N CA 1.910 54.920 53.050 -0.066 0.000 0.927 357 N CB -0.205 38.245 38.487 -0.061 0.000 1.013 357 N HN 0.761 nan 8.380 nan 0.000 0.490 358 K N -0.134 120.213 120.400 -0.088 0.000 2.399 358 K HA 0.095 4.411 4.320 -0.007 0.000 0.196 358 K C 1.238 177.787 176.600 -0.085 0.000 1.103 358 K CA -0.243 55.996 56.287 -0.080 0.000 0.986 358 K CB 0.129 32.578 32.500 -0.084 0.000 0.952 358 K HN -0.049 nan 8.250 nan 0.000 0.541 359 K N 2.907 123.242 120.400 -0.109 0.000 2.795 359 K HA 0.002 4.317 4.320 -0.007 0.000 0.223 359 K C -0.335 176.222 176.600 -0.072 0.000 0.965 359 K CA -0.002 56.222 56.287 -0.105 0.000 1.092 359 K CB -0.715 31.702 32.500 -0.139 0.000 0.900 359 K HN 0.222 nan 8.250 nan 0.000 0.483 360 L N 1.723 122.911 121.223 -0.059 0.000 2.837 360 L HA -0.255 4.081 4.340 -0.007 0.000 0.300 360 L C 0.642 177.490 176.870 -0.037 0.000 1.211 360 L CA 0.533 55.346 54.840 -0.044 0.000 0.890 360 L CB -0.510 41.527 42.059 -0.037 0.000 1.200 360 L HN 0.127 nan 8.230 nan 0.000 0.492 361 V N 1.248 121.142 119.914 -0.034 0.000 3.660 361 V HA -0.350 3.766 4.120 -0.007 0.000 0.521 361 V C 0.803 176.879 176.094 -0.029 0.000 0.693 361 V CA 0.936 63.218 62.300 -0.029 0.000 2.203 361 V CB -0.538 31.272 31.823 -0.022 0.000 2.398 361 V HN 1.007 nan 8.190 nan 0.000 0.500 362 R N 0.527 121.012 120.500 -0.024 0.000 2.544 362 R HA 0.766 5.102 4.340 -0.007 0.000 0.205 362 R C 0.967 177.260 176.300 -0.012 0.000 1.324 362 R CA -0.146 55.940 56.100 -0.024 0.000 1.008 362 R CB -0.107 30.180 30.300 -0.021 0.000 2.138 362 R HN 1.241 nan 8.270 nan 0.000 0.514 363 A N 2.319 125.138 122.820 -0.001 0.000 2.558 363 A HA -0.092 4.224 4.320 -0.007 0.000 0.235 363 A C 0.858 178.448 177.584 0.009 0.000 1.677 363 A CA 0.395 52.440 52.037 0.013 0.000 1.531 363 A CB -1.278 17.742 19.000 0.032 0.000 0.841 363 A HN 0.683 nan 8.150 nan 0.000 0.631 364 D N -0.069 120.331 120.400 0.000 0.000 2.664 364 D HA -0.207 4.429 4.640 -0.007 0.000 0.195 364 D C 1.577 177.878 176.300 0.001 0.000 1.063 364 D CA 2.299 56.297 54.000 -0.003 0.000 0.935 364 D CB 0.213 41.008 40.800 -0.009 0.000 0.877 364 D HN 0.447 nan 8.370 nan 0.000 0.464 365 S N -2.471 113.232 115.700 0.004 0.000 2.942 365 S HA 0.389 4.855 4.470 -0.007 0.000 0.220 365 S C 0.472 175.079 174.600 0.013 0.000 0.945 365 S CA 0.308 58.513 58.200 0.008 0.000 0.851 365 S CB 0.858 64.062 63.200 0.006 0.000 0.820 365 S HN 0.067 nan 8.310 nan 0.000 0.624 366 V N -0.321 119.602 119.914 0.015 0.000 3.195 366 V HA 0.616 4.732 4.120 -0.007 0.000 0.311 366 V C -1.762 174.342 176.094 0.017 0.000 1.669 366 V CA -0.288 62.022 62.300 0.016 0.000 0.971 366 V CB 1.346 33.179 31.823 0.018 0.000 1.007 366 V HN 0.627 nan 8.190 nan 0.000 0.485 367 S N -0.486 115.223 115.700 0.015 0.000 2.656 367 S HA 0.718 5.184 4.470 -0.007 0.000 0.265 367 S C -0.626 173.980 174.600 0.011 0.000 1.110 367 S CA 0.309 58.517 58.200 0.013 0.000 0.821 367 S CB 2.447 65.654 63.200 0.011 0.000 1.099 367 S HN 1.179 nan 8.310 nan 0.000 0.471 368 E N -0.521 119.685 120.200 0.009 0.000 2.371 368 E HA 0.291 4.637 4.350 -0.007 0.000 0.174 368 E C -0.522 176.080 176.600 0.004 0.000 0.913 368 E CA -0.175 56.229 56.400 0.007 0.000 1.371 368 E CB -0.116 29.590 29.700 0.010 0.000 1.791 368 E HN 0.665 nan 8.360 nan 0.000 0.765 369 L N 3.619 124.845 121.223 0.005 0.000 2.581 369 L HA 0.061 4.397 4.340 -0.007 0.000 0.299 369 L C -1.667 175.203 176.870 0.001 0.000 1.261 369 L CA -0.254 54.589 54.840 0.004 0.000 0.866 369 L CB -0.143 41.916 42.059 0.001 0.000 1.113 369 L HN 0.188 nan 8.230 nan 0.000 0.514 370 P HA 0.219 nan 4.420 nan 0.000 0.277 370 P C -0.898 176.403 177.300 0.002 0.000 1.240 370 P CA -0.574 62.528 63.100 0.002 0.000 0.798 370 P CB 1.133 32.836 31.700 0.004 0.000 0.979 371 A N 3.767 126.589 122.820 0.004 0.000 2.351 371 A HA 0.486 4.802 4.320 -0.007 0.000 0.257 371 A C -2.126 175.475 177.584 0.029 0.000 1.087 371 A CA -1.394 50.646 52.037 0.005 0.000 0.798 371 A CB -1.299 17.707 19.000 0.011 0.000 1.033 371 A HN 0.404 nan 8.150 nan 0.000 0.488 372 P HA 0.172 nan 4.420 nan 0.000 0.267 372 P C -0.301 177.112 177.300 0.190 0.000 1.205 372 P CA 0.197 63.354 63.100 0.095 0.000 0.765 372 P CB 0.420 32.176 31.700 0.094 0.000 0.828 373 R N 2.447 123.014 120.500 0.111 0.000 2.539 373 R HA 0.252 4.588 4.340 -0.007 0.000 0.275 373 R C 0.705 177.000 176.300 -0.009 0.000 1.077 373 R CA -0.442 55.688 56.100 0.049 0.000 1.097 373 R CB 0.651 30.930 30.300 -0.035 0.000 1.018 373 R HN 0.439 nan 8.270 nan 0.000 0.483 374 R N 3.828 124.212 120.500 -0.193 0.000 2.297 374 R HA 0.188 4.524 4.340 -0.007 0.000 0.308 374 R C -0.536 175.510 176.300 -0.423 0.000 1.029 374 R CA -0.468 55.236 56.100 -0.661 0.000 0.929 374 R CB 0.575 30.497 30.300 -0.630 0.000 1.046 374 R HN 0.512 nan 8.270 nan 0.000 0.461 375 L N 5.325 126.285 121.223 -0.438 0.000 2.410 375 L HA 0.225 4.561 4.340 -0.007 0.000 0.273 375 L C 0.935 177.464 176.870 -0.568 0.000 1.152 375 L CA 0.274 54.821 54.840 -0.488 0.000 0.855 375 L CB 0.579 42.328 42.059 -0.518 0.000 1.129 375 L HN 0.591 nan 8.230 nan 0.000 0.463 376 R N 2.301 122.481 120.500 -0.533 0.000 2.691 376 R HA 0.560 4.896 4.340 -0.007 0.000 0.259 376 R C -1.519 174.486 176.300 -0.492 0.000 1.048 376 R CA -0.585 55.294 56.100 -0.369 0.000 1.086 376 R CB 1.691 31.874 30.300 -0.195 0.000 1.166 376 R HN 0.482 nan 8.270 nan 0.000 0.526 377 W N 0.057 121.373 121.300 0.026 0.000 3.274 377 W HA 0.369 5.026 4.660 -0.006 0.000 0.327 377 W C -0.550 175.995 176.519 0.045 0.000 1.172 377 W CA -0.834 56.543 57.345 0.053 0.000 1.217 377 W CB 1.450 30.965 29.460 0.091 0.000 1.376 377 W HN -0.026 nan 8.180 nan 0.000 0.507 378 K N 2.849 123.437 120.400 0.314 0.000 2.478 378 K HA 0.410 4.726 4.320 -0.007 0.000 0.236 378 K C -1.139 175.555 176.600 0.157 0.000 1.021 378 K CA -0.489 55.908 56.287 0.183 0.000 1.010 378 K CB 1.149 33.727 32.500 0.130 0.000 1.331 378 K HN 0.439 nan 8.250 nan 0.000 0.470 379 C N 2.840 122.217 119.300 0.129 0.000 2.246 379 C HA 0.258 4.714 4.460 -0.007 0.000 0.329 379 C C 1.151 176.169 174.990 0.047 0.000 1.221 379 C CA -0.583 58.486 59.018 0.084 0.000 1.697 379 C CB -0.438 27.338 27.740 0.060 0.000 2.312 379 C HN 0.787 nan 8.230 nan 0.000 0.509 380 S N 4.343 120.063 115.700 0.035 0.000 2.624 380 S HA 0.291 4.756 4.470 -0.007 0.000 0.263 380 S C -1.797 172.795 174.600 -0.013 0.000 1.287 380 S CA -0.789 57.419 58.200 0.013 0.000 0.990 380 S CB 0.393 63.599 63.200 0.010 0.000 0.950 380 S HN 0.494 nan 8.310 nan 0.000 0.561 381 P HA -0.182 nan 4.420 nan 0.000 0.216 381 P C 1.457 178.699 177.300 -0.098 0.000 1.154 381 P CA 1.582 64.655 63.100 -0.044 0.000 0.865 381 P CB 0.045 31.727 31.700 -0.030 0.000 0.789 382 E N -1.009 119.117 120.200 -0.124 0.000 2.023 382 E HA -0.177 4.169 4.350 -0.007 0.000 0.196 382 E C 1.654 178.001 176.600 -0.422 0.000 1.003 382 E CA 1.990 58.240 56.400 -0.250 0.000 0.809 382 E CB -0.541 29.040 29.700 -0.198 0.000 0.755 382 E HN 0.114 nan 8.360 nan 0.000 0.449 383 T N 0.749 115.170 114.554 -0.221 0.000 2.915 383 T HA -0.141 4.205 4.350 -0.007 0.000 0.269 383 T C 1.715 176.369 174.700 -0.076 0.000 1.071 383 T CA 1.205 63.229 62.100 -0.126 0.000 1.132 383 T CB -0.149 68.731 68.868 0.018 0.000 0.878 383 T HN 0.259 nan 8.240 nan 0.000 0.479 384 Q N 0.516 120.275 119.800 -0.068 0.000 2.045 384 Q HA -0.092 4.244 4.340 -0.007 0.000 0.206 384 Q C 2.751 178.728 176.000 -0.037 0.000 0.991 384 Q CA 1.659 57.440 55.803 -0.037 0.000 0.851 384 Q CB -0.659 28.064 28.738 -0.025 0.000 0.911 384 Q HN 0.584 nan 8.270 nan 0.000 0.418 385 G N 0.217 108.968 108.800 -0.081 0.000 2.491 385 G HA2 -0.315 3.641 3.960 -0.007 0.000 0.218 385 G HA3 -0.315 3.641 3.960 -0.007 0.000 0.218 385 G C 0.854 175.782 174.900 0.047 0.000 1.180 385 G CA 1.433 46.501 45.100 -0.054 0.000 0.774 385 G HN 0.468 nan 8.290 nan 0.000 0.562 386 H N 0.229 119.300 119.070 0.001 0.000 2.289 386 H HA -0.073 4.478 4.556 -0.008 0.000 0.296 386 H C 2.744 178.061 175.328 -0.018 0.000 1.091 386 H CA 1.107 57.156 56.048 0.003 0.000 1.274 386 H CB -0.173 29.602 29.762 0.022 0.000 1.364 386 H HN 0.252 nan 8.280 nan 0.000 0.490 387 L N 0.388 121.675 121.223 0.108 0.000 2.042 387 L HA -0.219 4.117 4.340 -0.007 0.000 0.210 387 L C 2.963 179.838 176.870 0.007 0.000 1.076 387 L CA 0.907 55.759 54.840 0.020 0.000 0.749 387 L CB -0.520 41.535 42.059 -0.007 0.000 0.893 387 L HN 0.339 nan 8.230 nan 0.000 0.432 388 A N 0.140 122.968 122.820 0.014 0.000 1.902 388 A HA -0.236 4.080 4.320 -0.007 0.000 0.217 388 A C 2.567 180.153 177.584 0.005 0.000 1.181 388 A CA 2.190 54.230 52.037 0.005 0.000 0.623 388 A CB -0.750 18.253 19.000 0.005 0.000 0.818 388 A HN 0.531 nan 8.150 nan 0.000 0.443 389 S N -0.733 114.979 115.700 0.020 0.000 2.371 389 S HA -0.092 4.374 4.470 -0.007 0.000 0.224 389 S C 2.018 176.608 174.600 -0.016 0.000 1.029 389 S CA 1.550 59.755 58.200 0.009 0.000 0.978 389 S CB -0.657 62.563 63.200 0.034 0.000 0.833 389 S HN 0.410 nan 8.310 nan 0.000 0.466 390 S N 2.322 118.011 115.700 -0.019 0.000 2.399 390 S HA 0.123 4.589 4.470 -0.007 0.000 0.231 390 S C 2.291 176.856 174.600 -0.059 0.000 1.022 390 S CA 0.901 59.068 58.200 -0.056 0.000 0.983 390 S CB -0.878 62.275 63.200 -0.078 0.000 0.803 390 S HN 0.791 nan 8.310 nan 0.000 0.480 391 A N 1.823 124.617 122.820 -0.042 0.000 1.849 391 A HA -0.259 4.057 4.320 -0.007 0.000 0.217 391 A C 2.029 179.586 177.584 -0.044 0.000 1.202 391 A CA 2.033 54.046 52.037 -0.040 0.000 0.629 391 A CB -0.968 18.015 19.000 -0.028 0.000 0.834 391 A HN 0.584 nan 8.150 nan 0.000 0.447 392 E N -0.458 119.720 120.200 -0.038 0.000 2.065 392 E HA -0.281 4.065 4.350 -0.007 0.000 0.201 392 E C 2.031 178.600 176.600 -0.051 0.000 1.016 392 E CA 1.792 58.169 56.400 -0.039 0.000 0.818 392 E CB -0.097 29.585 29.700 -0.030 0.000 0.749 392 E HN 0.441 nan 8.360 nan 0.000 0.453 393 K N 0.250 120.615 120.400 -0.058 0.000 2.032 393 K HA -0.185 4.131 4.320 -0.007 0.000 0.209 393 K C 2.276 178.825 176.600 -0.086 0.000 1.048 393 K CA 0.855 57.098 56.287 -0.073 0.000 0.927 393 K CB -0.624 31.829 32.500 -0.079 0.000 0.712 393 K HN 0.222 nan 8.250 nan 0.000 0.441 394 L N 2.313 123.482 121.223 -0.090 0.000 2.083 394 L HA -0.188 4.148 4.340 -0.007 0.000 0.209 394 L C 2.204 179.010 176.870 -0.108 0.000 1.083 394 L CA 1.659 56.438 54.840 -0.102 0.000 0.752 394 L CB -0.570 41.436 42.059 -0.089 0.000 0.899 394 L HN 0.202 nan 8.230 nan 0.000 0.433 395 Q N -0.931 118.817 119.800 -0.087 0.000 2.181 395 Q HA -0.221 4.115 4.340 -0.007 0.000 0.205 395 Q C 2.281 178.234 176.000 -0.078 0.000 0.980 395 Q CA 1.664 57.418 55.803 -0.082 0.000 0.862 395 Q CB -0.187 28.518 28.738 -0.055 0.000 0.905 395 Q HN 0.550 nan 8.270 nan 0.000 0.429 396 R N 0.142 120.600 120.500 -0.070 0.000 2.075 396 R HA 0.012 4.348 4.340 -0.007 0.000 0.226 396 R C 2.248 178.515 176.300 -0.055 0.000 1.114 396 R CA 0.829 56.895 56.100 -0.057 0.000 0.972 396 R CB -0.082 30.180 30.300 -0.064 0.000 0.869 396 R HN 0.238 nan 8.270 nan 0.000 0.437 397 I N 0.361 120.885 120.570 -0.077 0.000 2.252 397 I HA -0.249 3.917 4.170 -0.007 0.000 0.245 397 I C 2.178 178.257 176.117 -0.063 0.000 1.102 397 I CA 1.023 62.297 61.300 -0.044 0.000 1.385 397 I CB -0.160 37.804 38.000 -0.060 0.000 1.064 397 I HN -0.020 nan 8.210 nan 0.000 0.414 398 V N 1.033 120.808 119.914 -0.231 0.000 2.287 398 V HA -0.329 3.787 4.120 -0.007 0.000 0.248 398 V C 2.366 178.415 176.094 -0.075 0.000 1.053 398 V CA 1.978 64.012 62.300 -0.443 0.000 1.027 398 V CB -0.656 30.889 31.823 -0.462 0.000 0.646 398 V HN 0.399 nan 8.190 nan 0.000 0.447 399 K N -0.270 120.121 120.400 -0.016 0.000 2.211 399 K HA -0.113 4.203 4.320 -0.007 0.000 0.203 399 K C 1.960 178.670 176.600 0.183 0.000 1.050 399 K CA 1.216 57.537 56.287 0.057 0.000 0.945 399 K CB -0.231 32.274 32.500 0.009 0.000 0.732 399 K HN 0.506 nan 8.250 nan 0.000 0.451 400 N N 0.657 119.471 118.700 0.190 0.000 2.424 400 N HA -0.041 4.695 4.740 -0.007 0.000 0.178 400 N C -0.277 175.463 175.510 0.382 0.000 1.060 400 N CA -0.132 53.090 53.050 0.287 0.000 0.901 400 N CB 0.338 38.914 38.487 0.148 0.000 0.979 400 N HN -0.014 nan 8.380 nan 0.000 0.451 401 L N 1.464 122.891 121.223 0.340 0.000 2.276 401 L HA 0.261 4.597 4.340 -0.007 0.000 0.286 401 L C -0.906 176.063 176.870 0.165 0.000 1.061 401 L CA -0.116 54.880 54.840 0.261 0.000 0.807 401 L CB 1.258 43.491 42.059 0.289 0.000 1.177 401 L HN -0.133 nan 8.230 nan 0.000 0.429 402 D N 4.799 125.133 120.400 -0.111 0.000 2.473 402 D HA 0.222 4.858 4.640 -0.007 0.000 0.226 402 D C -1.557 174.787 176.300 0.073 0.000 1.089 402 D CA 0.002 53.891 54.000 -0.184 0.000 0.883 402 D CB 0.162 40.626 40.800 -0.561 0.000 1.029 402 D HN 0.361 nan 8.370 nan 0.000 0.517 403 F N 4.201 124.175 119.950 0.039 0.000 2.520 403 F HA 0.615 5.138 4.527 -0.007 0.000 0.322 403 F C -1.337 174.514 175.800 0.084 0.000 1.103 403 F CA -1.037 56.999 58.000 0.061 0.000 0.926 403 F CB 1.206 40.250 39.000 0.074 0.000 1.154 403 F HN 0.255 nan 8.300 nan 0.000 0.453 404 I N 5.957 125.982 120.570 -0.907 0.000 2.656 404 I HA 0.429 4.595 4.170 -0.007 0.000 0.292 404 I C -1.517 174.126 176.117 -0.788 0.000 1.144 404 I CA -0.919 60.045 61.300 -0.560 0.000 1.038 404 I CB 2.049 39.928 38.000 -0.201 0.000 1.244 404 I HN 0.327 nan 8.210 nan 0.000 0.420 405 V N 7.699 127.326 119.914 -0.478 0.000 2.372 405 V HA 0.111 4.227 4.120 -0.007 0.000 0.261 405 V C -0.699 175.335 176.094 -0.101 0.000 1.055 405 V CA -0.183 61.935 62.300 -0.303 0.000 0.930 405 V CB 0.193 31.802 31.823 -0.357 0.000 1.031 405 V HN 0.518 nan 8.190 nan 0.000 0.479 406 Y N 5.358 125.584 120.300 -0.123 0.000 2.369 406 Y HA 0.532 5.078 4.550 -0.007 0.000 0.337 406 Y C 0.251 176.186 175.900 0.058 0.000 0.961 406 Y CA -1.048 57.039 58.100 -0.022 0.000 1.186 406 Y CB 1.030 39.485 38.460 -0.008 0.000 1.139 406 Y HN 0.532 nan 8.280 nan 0.000 0.494 407 K N 7.210 127.414 120.400 -0.327 0.000 2.268 407 K HA 0.176 4.492 4.320 -0.007 0.000 0.276 407 K C -1.200 175.200 176.600 -0.333 0.000 1.080 407 K CA -0.301 55.847 56.287 -0.232 0.000 0.910 407 K CB 0.224 32.617 32.500 -0.178 0.000 1.163 407 K HN 0.570 nan 8.250 nan 0.000 0.465 408 F N 4.548 124.338 119.950 -0.268 0.000 2.462 408 F HA 0.049 4.572 4.527 -0.007 0.000 0.360 408 F C 0.395 176.107 175.800 -0.146 0.000 1.134 408 F CA -0.392 57.510 58.000 -0.164 0.000 1.148 408 F CB 0.329 39.393 39.000 0.107 0.000 1.147 408 F HN 0.625 nan 8.300 nan 0.000 0.550 409 D N 1.567 121.549 120.400 -0.697 0.000 2.433 409 D HA 0.005 4.641 4.640 -0.007 0.000 0.211 409 D C 0.645 176.616 176.300 -0.550 0.000 1.114 409 D CA 0.220 53.949 54.000 -0.452 0.000 0.837 409 D CB -0.498 40.131 40.800 -0.286 0.000 0.984 409 D HN 0.349 nan 8.370 nan 0.000 0.505 410 N N -0.198 117.911 118.700 -0.985 0.000 2.457 410 N HA 0.083 4.819 4.740 -0.007 0.000 0.180 410 N C -0.372 175.018 175.510 -0.200 0.000 1.050 410 N CA 0.771 53.456 53.050 -0.608 0.000 0.906 410 N CB -0.094 38.030 38.487 -0.606 0.000 0.968 410 N HN 0.567 nan 8.380 nan 0.000 0.445 411 Y N -4.954 115.228 120.300 -0.197 0.000 2.851 411 Y HA 0.615 5.161 4.550 -0.007 0.000 0.359 411 Y C -0.140 175.880 175.900 0.199 0.000 1.231 411 Y CA -1.224 56.897 58.100 0.035 0.000 1.106 411 Y CB 0.418 38.868 38.460 -0.016 0.000 1.409 411 Y HN -0.125 nan 8.280 nan 0.000 0.454 412 G N 0.615 109.680 108.800 0.442 0.000 3.039 412 G HA2 0.285 4.241 3.960 -0.007 0.000 0.202 412 G HA3 0.285 4.241 3.960 -0.007 0.000 0.202 412 G C -0.433 174.676 174.900 0.348 0.000 1.151 412 G CA -0.641 44.656 45.100 0.328 0.000 0.836 412 G HN 0.615 nan 8.290 nan 0.000 0.598 413 K N -0.318 120.205 120.400 0.206 0.000 2.074 413 K HA -0.118 4.198 4.320 -0.007 0.000 0.209 413 K C 2.593 179.256 176.600 0.106 0.000 1.048 413 K CA 2.098 58.470 56.287 0.142 0.000 0.926 413 K CB -0.444 32.117 32.500 0.101 0.000 0.713 413 K HN 0.330 nan 8.250 nan 0.000 0.444 414 T N 1.225 115.858 114.554 0.132 0.000 2.708 414 T HA -0.166 4.180 4.350 -0.007 0.000 0.266 414 T C 1.460 176.201 174.700 0.069 0.000 1.037 414 T CA 1.314 63.465 62.100 0.086 0.000 1.146 414 T CB -0.412 68.517 68.868 0.103 0.000 0.865 414 T HN 0.212 nan 8.240 nan 0.000 0.435 415 F N 1.866 121.814 119.950 -0.003 0.000 2.063 415 F HA -0.184 4.339 4.527 -0.007 0.000 0.298 415 F C 1.960 177.661 175.800 -0.166 0.000 1.109 415 F CA 1.292 59.233 58.000 -0.097 0.000 1.212 415 F CB -0.538 38.349 39.000 -0.188 0.000 0.973 415 F HN 0.121 nan 8.300 nan 0.000 0.480 416 I N -0.018 120.433 120.570 -0.199 0.000 2.286 416 I HA -0.294 3.872 4.170 -0.007 0.000 0.248 416 I C 2.270 178.188 176.117 -0.332 0.000 1.115 416 I CA 1.507 62.563 61.300 -0.406 0.000 1.392 416 I CB -0.548 37.290 38.000 -0.270 0.000 1.065 416 I HN 0.107 nan 8.210 nan 0.000 0.418 417 K N 0.754 121.037 120.400 -0.194 0.000 2.217 417 K HA -0.070 4.246 4.320 -0.007 0.000 0.202 417 K C 1.892 178.346 176.600 -0.244 0.000 1.051 417 K CA 0.761 56.953 56.287 -0.159 0.000 0.952 417 K CB 0.053 32.505 32.500 -0.079 0.000 0.736 417 K HN 0.230 nan 8.250 nan 0.000 0.453 418 K N 0.546 120.767 120.400 -0.298 0.000 2.432 418 K HA -0.049 4.267 4.320 -0.007 0.000 0.196 418 K C 1.250 177.602 176.600 -0.412 0.000 1.038 418 K CA 0.645 56.750 56.287 -0.303 0.000 0.986 418 K CB 0.271 32.596 32.500 -0.292 0.000 0.782 418 K HN 0.148 nan 8.250 nan 0.000 0.485 419 Q N 0.730 120.174 119.800 -0.593 0.000 2.415 419 Q HA 0.027 4.363 4.340 -0.007 0.000 0.206 419 Q C -0.125 175.351 176.000 -0.873 0.000 0.946 419 Q CA 0.160 55.547 55.803 -0.693 0.000 0.951 419 Q CB 0.091 28.349 28.738 -0.800 0.000 1.026 419 Q HN 0.098 nan 8.270 nan 0.000 0.510 420 K N 0.331 120.376 120.400 -0.592 0.000 3.156 420 K HA -0.210 4.106 4.320 -0.007 0.000 0.266 420 K C -0.960 175.316 176.600 -0.540 0.000 0.966 420 K CA 0.820 56.829 56.287 -0.464 0.000 0.719 420 K CB -2.099 30.185 32.500 -0.359 0.000 1.333 420 K HN 0.410 nan 8.250 nan 0.000 0.468 421 Y N -0.815 119.434 120.300 -0.085 0.000 2.536 421 Y HA 0.218 4.764 4.550 -0.007 0.000 0.347 421 Y C 0.816 176.708 175.900 -0.012 0.000 1.000 421 Y CA -1.213 56.877 58.100 -0.016 0.000 1.051 421 Y CB 1.829 40.317 38.460 0.045 0.000 1.259 421 Y HN 0.062 nan 8.280 nan 0.000 0.468 422 S N 2.863 118.711 115.700 0.248 0.000 2.510 422 S HA 0.120 4.586 4.470 -0.007 0.000 0.279 422 S C -1.888 172.827 174.600 0.192 0.000 1.284 422 S CA -1.187 57.117 58.200 0.174 0.000 1.059 422 S CB 0.760 64.058 63.200 0.162 0.000 0.901 422 S HN 0.418 nan 8.310 nan 0.000 0.491 423 P HA -0.089 nan 4.420 nan 0.000 0.215 423 P C 0.931 178.363 177.300 0.220 0.000 1.157 423 P CA 1.082 64.282 63.100 0.166 0.000 0.868 423 P CB 0.092 31.878 31.700 0.143 0.000 0.788 424 D N -0.978 119.552 120.400 0.216 0.000 2.084 424 D HA -0.121 4.515 4.640 -0.007 0.000 0.194 424 D C 2.235 178.658 176.300 0.204 0.000 0.990 424 D CA 1.804 55.957 54.000 0.255 0.000 0.826 424 D CB -1.000 39.944 40.800 0.238 0.000 0.971 424 D HN 0.007 nan 8.370 nan 0.000 0.453 425 G N -0.785 108.124 108.800 0.183 0.000 2.418 425 G HA2 -0.278 3.678 3.960 -0.007 0.000 0.217 425 G HA3 -0.278 3.678 3.960 -0.007 0.000 0.217 425 G C 1.569 176.543 174.900 0.124 0.000 1.158 425 G CA 0.557 45.738 45.100 0.136 0.000 0.771 425 G HN 0.377 nan 8.290 nan 0.000 0.545 426 F N 1.103 121.063 119.950 0.017 0.000 2.171 426 F HA -0.018 4.505 4.527 -0.007 0.000 0.300 426 F C 2.474 178.271 175.800 -0.006 0.000 1.090 426 F CA 1.104 59.097 58.000 -0.011 0.000 1.293 426 F CB -0.017 39.036 39.000 0.089 0.000 1.013 426 F HN 0.092 nan 8.300 nan 0.000 0.486 427 I N -0.011 120.703 120.570 0.240 0.000 2.163 427 I HA -0.331 3.835 4.170 -0.007 0.000 0.243 427 I C 2.434 178.510 176.117 -0.070 0.000 1.085 427 I CA 1.102 62.416 61.300 0.023 0.000 1.347 427 I CB -0.619 37.269 38.000 -0.187 0.000 1.044 427 I HN 0.183 nan 8.210 nan 0.000 0.408 428 Q N 0.193 119.979 119.800 -0.025 0.000 2.096 428 Q HA -0.167 4.169 4.340 -0.007 0.000 0.204 428 Q C 2.505 178.498 176.000 -0.013 0.000 0.982 428 Q CA 1.516 57.326 55.803 0.012 0.000 0.850 428 Q CB -0.536 28.238 28.738 0.059 0.000 0.901 428 Q HN 0.419 nan 8.270 nan 0.000 0.422 429 V N 0.953 120.828 119.914 -0.064 0.000 2.323 429 V HA -0.201 3.915 4.120 -0.007 0.000 0.244 429 V C 2.397 178.439 176.094 -0.088 0.000 1.041 429 V CA 1.568 63.814 62.300 -0.090 0.000 1.025 429 V CB -1.035 30.654 31.823 -0.222 0.000 0.656 429 V HN 0.321 nan 8.190 nan 0.000 0.451 430 A N 0.069 122.788 122.820 -0.168 0.000 1.940 430 A HA -0.209 4.107 4.320 -0.007 0.000 0.219 430 A C 2.187 179.684 177.584 -0.145 0.000 1.176 430 A CA 1.990 53.922 52.037 -0.175 0.000 0.631 430 A CB -0.616 18.261 19.000 -0.205 0.000 0.814 430 A HN 0.527 nan 8.150 nan 0.000 0.446 431 L N -0.822 120.348 121.223 -0.088 0.000 2.042 431 L HA -0.267 4.069 4.340 -0.007 0.000 0.210 431 L C 2.895 179.843 176.870 0.131 0.000 1.076 431 L CA 1.418 56.263 54.840 0.008 0.000 0.749 431 L CB -0.649 41.474 42.059 0.106 0.000 0.893 431 L HN 0.342 nan 8.230 nan 0.000 0.432 432 Q N -0.252 119.609 119.800 0.102 0.000 2.020 432 Q HA -0.205 4.131 4.340 -0.007 0.000 0.202 432 Q C 2.322 178.416 176.000 0.156 0.000 0.982 432 Q CA 1.546 57.437 55.803 0.148 0.000 0.838 432 Q CB -0.717 28.081 28.738 0.099 0.000 0.899 432 Q HN 0.368 nan 8.270 nan 0.000 0.423 433 L N 0.735 121.997 121.223 0.064 0.000 2.131 433 L HA -0.046 4.290 4.340 -0.007 0.000 0.210 433 L C 2.073 178.955 176.870 0.020 0.000 1.092 433 L CA 1.941 56.792 54.840 0.019 0.000 0.759 433 L CB -0.856 41.179 42.059 -0.040 0.000 0.903 433 L HN 0.140 nan 8.230 nan 0.000 0.435 434 A N -1.350 121.441 122.820 -0.049 0.000 1.902 434 A HA -0.291 4.025 4.320 -0.007 0.000 0.217 434 A C 2.282 179.897 177.584 0.052 0.000 1.181 434 A CA 1.914 53.850 52.037 -0.168 0.000 0.623 434 A CB -1.131 17.520 19.000 -0.582 0.000 0.818 434 A HN 0.597 nan 8.150 nan 0.000 0.443 435 Y N -1.828 118.616 120.300 0.239 0.000 2.220 435 Y HA -0.173 4.373 4.550 -0.007 0.000 0.291 435 Y C 2.220 178.295 175.900 0.292 0.000 1.129 435 Y CA 1.851 60.186 58.100 0.392 0.000 1.161 435 Y CB -0.455 38.195 38.460 0.317 0.000 0.997 435 Y HN 0.437 nan 8.280 nan 0.000 0.522 436 Y N 0.414 120.825 120.300 0.186 0.000 2.220 436 Y HA -0.080 4.466 4.550 -0.007 0.000 0.291 436 Y C 2.255 178.141 175.900 -0.023 0.000 1.129 436 Y CA 1.510 59.670 58.100 0.101 0.000 1.161 436 Y CB -0.176 38.311 38.460 0.045 0.000 0.997 436 Y HN -0.091 nan 8.280 nan 0.000 0.522 437 R N -0.161 120.347 120.500 0.014 0.000 2.316 437 R HA -0.025 4.311 4.340 -0.007 0.000 0.202 437 R C 1.773 177.939 176.300 -0.224 0.000 1.029 437 R CA 0.884 56.923 56.100 -0.102 0.000 1.018 437 R CB -0.100 30.144 30.300 -0.094 0.000 0.888 437 R HN 0.406 nan 8.270 nan 0.000 0.471 438 L N -1.795 119.236 121.223 -0.320 0.000 2.202 438 L HA -0.004 4.332 4.340 -0.007 0.000 0.205 438 L C 1.094 177.552 176.870 -0.687 0.000 1.083 438 L CA 1.079 55.579 54.840 -0.567 0.000 0.790 438 L CB 0.078 41.624 42.059 -0.856 0.000 0.942 438 L HN 0.188 nan 8.230 nan 0.000 0.452 439 Y N -1.952 118.143 120.300 -0.340 0.000 2.423 439 Y HA 0.119 4.665 4.550 -0.006 0.000 0.257 439 Y C 0.550 176.269 175.900 -0.302 0.000 1.087 439 Y CA -0.667 57.250 58.100 -0.305 0.000 1.258 439 Y CB 0.650 38.898 38.460 -0.354 0.000 1.237 439 Y HN 0.007 nan 8.280 nan 0.000 0.517 440 Q N 1.019 120.560 119.800 -0.432 0.000 2.494 440 Q HA -0.212 4.124 4.340 -0.007 0.000 0.266 440 Q C -0.422 175.295 176.000 -0.471 0.000 1.053 440 Q CA 1.234 56.575 55.803 -0.771 0.000 1.029 440 Q CB -2.260 26.253 28.738 -0.375 0.000 1.423 440 Q HN 0.767 nan 8.270 nan 0.000 0.516 441 R N -1.924 118.497 120.500 -0.132 0.000 2.733 441 R HA 0.789 5.125 4.340 -0.007 0.000 0.272 441 R C -0.900 175.667 176.300 0.445 0.000 1.029 441 R CA -1.090 55.142 56.100 0.221 0.000 0.888 441 R CB 1.033 31.429 30.300 0.161 0.000 1.251 441 R HN 0.008 nan 8.270 nan 0.000 0.464 442 L N 0.926 122.370 121.223 0.369 0.000 2.358 442 L HA 0.764 5.100 4.340 -0.007 0.000 0.268 442 L C -0.045 176.881 176.870 0.092 0.000 1.032 442 L CA -1.280 53.718 54.840 0.263 0.000 0.805 442 L CB 1.929 44.130 42.059 0.236 0.000 1.253 442 L HN 0.607 nan 8.230 nan 0.000 0.452 443 V N -1.628 118.221 119.914 -0.108 0.000 3.078 443 V HA 0.569 4.685 4.120 -0.007 0.000 0.311 443 V C -2.730 173.298 176.094 -0.109 0.000 1.138 443 V CA -2.712 59.488 62.300 -0.167 0.000 1.007 443 V CB 1.459 33.071 31.823 -0.352 0.000 1.045 443 V HN 0.512 nan 8.190 nan 0.000 0.432 444 P HA 0.245 nan 4.420 nan 0.000 0.261 444 P C -0.418 176.982 177.300 0.166 0.000 1.173 444 P CA 0.871 64.012 63.100 0.068 0.000 0.760 444 P CB 0.217 31.931 31.700 0.023 0.000 0.783 445 T N 3.007 117.685 114.554 0.207 0.000 2.893 445 T HA 0.371 4.717 4.350 -0.007 0.000 0.293 445 T C -1.453 173.265 174.700 0.030 0.000 1.027 445 T CA -0.309 61.868 62.100 0.129 0.000 0.988 445 T CB 0.798 69.683 68.868 0.028 0.000 1.043 445 T HN 0.155 nan 8.240 nan 0.000 0.461 446 Y N 2.056 122.205 120.300 -0.253 0.000 2.352 446 Y HA 0.596 5.142 4.550 -0.006 0.000 0.339 446 Y C -0.151 175.627 175.900 -0.203 0.000 0.992 446 Y CA -0.707 57.037 58.100 -0.594 0.000 1.100 446 Y CB 1.124 39.002 38.460 -0.969 0.000 1.192 446 Y HN 0.654 nan 8.280 nan 0.000 0.458 447 E N 4.223 124.146 120.200 -0.461 0.000 2.263 447 E HA 0.353 4.699 4.350 -0.007 0.000 0.268 447 E C -1.291 174.987 176.600 -0.536 0.000 0.884 447 E CA -0.903 55.352 56.400 -0.241 0.000 0.766 447 E CB 1.237 30.895 29.700 -0.071 0.000 1.196 447 E HN 0.719 nan 8.360 nan 0.000 0.416 448 S N 2.407 117.951 115.700 -0.259 0.000 2.537 448 S HA 0.461 4.927 4.470 -0.007 0.000 0.286 448 S C -0.020 174.543 174.600 -0.061 0.000 1.299 448 S CA -0.433 57.700 58.200 -0.111 0.000 1.067 448 S CB 1.182 64.483 63.200 0.167 0.000 0.864 448 S HN 0.559 nan 8.310 nan 0.000 0.494 449 A N 2.672 125.463 122.820 -0.048 0.000 2.335 449 A HA 0.678 4.994 4.320 -0.007 0.000 0.304 449 A C 0.128 177.719 177.584 0.011 0.000 1.118 449 A CA -0.723 51.316 52.037 0.004 0.000 0.757 449 A CB 1.400 20.410 19.000 0.018 0.000 1.188 449 A HN 0.915 nan 8.150 nan 0.000 0.460 450 S N 1.488 117.203 115.700 0.024 0.000 2.564 450 S HA 0.397 4.863 4.470 -0.007 0.000 0.278 450 S C 0.702 175.311 174.600 0.014 0.000 1.333 450 S CA -0.156 58.050 58.200 0.009 0.000 1.048 450 S CB -0.105 63.107 63.200 0.019 0.000 0.900 450 S HN 0.931 nan 8.310 nan 0.000 0.505 451 I N 2.368 122.940 120.570 0.003 0.000 3.877 451 I HA 0.398 4.564 4.170 -0.007 0.000 0.332 451 I C 1.364 177.502 176.117 0.035 0.000 1.525 451 I CA -0.483 60.876 61.300 0.098 0.000 1.146 451 I CB -0.004 38.078 38.000 0.137 0.000 1.137 451 I HN 0.496 nan 8.210 nan 0.000 0.424 452 R N 2.236 122.714 120.500 -0.037 0.000 2.341 452 R HA -0.051 4.285 4.340 -0.007 0.000 0.213 452 R C 2.185 178.392 176.300 -0.154 0.000 1.082 452 R CA 0.687 56.752 56.100 -0.058 0.000 1.017 452 R CB -0.228 30.057 30.300 -0.024 0.000 0.860 452 R HN 0.599 nan 8.270 nan 0.000 0.473 453 R N 0.134 120.446 120.500 -0.314 0.000 2.193 453 R HA -0.063 4.273 4.340 -0.007 0.000 0.229 453 R C 0.069 175.980 176.300 -0.648 0.000 1.110 453 R CA 0.874 56.642 56.100 -0.553 0.000 0.988 453 R CB -0.245 29.672 30.300 -0.638 0.000 0.871 453 R HN 0.002 nan 8.270 nan 0.000 0.458 454 F N 2.181 122.090 119.950 -0.069 0.000 2.380 454 F HA 0.259 4.782 4.527 -0.007 0.000 0.321 454 F C 0.752 176.510 175.800 -0.071 0.000 1.103 454 F CA -1.218 56.740 58.000 -0.070 0.000 1.067 454 F CB 0.749 39.699 39.000 -0.082 0.000 1.265 454 F HN -0.169 nan 8.300 nan 0.000 0.517 455 Q N 1.191 121.080 119.800 0.149 0.000 2.300 455 Q HA 0.033 4.369 4.340 -0.007 0.000 0.280 455 Q C -0.012 176.003 176.000 0.025 0.000 1.033 455 Q CA 0.474 56.311 55.803 0.056 0.000 0.903 455 Q CB 0.179 28.942 28.738 0.042 0.000 1.195 455 Q HN 0.674 nan 8.270 nan 0.000 0.386 456 E N -0.604 119.603 120.200 0.012 0.000 3.801 456 E HA -0.191 4.155 4.350 -0.007 0.000 0.319 456 E C 0.127 176.696 176.600 -0.052 0.000 0.784 456 E CA 0.287 56.681 56.400 -0.010 0.000 1.183 456 E CB -1.603 28.083 29.700 -0.023 0.000 1.601 456 E HN 0.794 nan 8.360 nan 0.000 0.441 457 G N 0.276 109.057 108.800 -0.033 0.000 2.365 457 G HA2 0.215 4.171 3.960 -0.007 0.000 0.249 457 G HA3 0.215 4.171 3.960 -0.007 0.000 0.249 457 G C 0.742 175.555 174.900 -0.146 0.000 1.288 457 G CA -0.237 44.811 45.100 -0.086 0.000 0.887 457 G HN -0.069 nan 8.290 nan 0.000 0.524 458 R N 0.922 121.232 120.500 -0.317 0.000 1.747 458 R HA 0.443 4.779 4.340 -0.007 0.000 0.136 458 R C 0.720 176.800 176.300 -0.366 0.000 2.116 458 R CA 0.633 56.479 56.100 -0.423 0.000 1.739 458 R CB -0.663 29.079 30.300 -0.930 0.000 1.333 458 R HN 0.705 nan 8.270 nan 0.000 0.480 459 V N -1.091 118.485 119.914 -0.564 0.000 3.114 459 V HA 0.602 4.718 4.120 -0.007 0.000 0.308 459 V C -0.871 175.081 176.094 -0.236 0.000 1.168 459 V CA -0.979 61.186 62.300 -0.225 0.000 1.015 459 V CB 2.581 34.404 31.823 -0.001 0.000 1.050 459 V HN 0.247 nan 8.190 nan 0.000 0.433 460 D N 0.850 121.211 120.400 -0.065 0.000 2.654 460 D HA 0.488 5.124 4.640 -0.007 0.000 0.255 460 D C -1.314 174.969 176.300 -0.029 0.000 1.101 460 D CA -0.462 53.550 54.000 0.021 0.000 1.116 460 D CB 2.302 43.130 40.800 0.047 0.000 1.348 460 D HN 0.801 nan 8.370 nan 0.000 0.609 461 N N 0.273 118.965 118.700 -0.012 0.000 2.362 461 N HA 0.375 5.111 4.740 -0.007 0.000 0.298 461 N C -1.099 174.365 175.510 -0.078 0.000 1.048 461 N CA -0.369 52.522 53.050 -0.265 0.000 0.858 461 N CB 0.876 39.249 38.487 -0.191 0.000 1.218 461 N HN 0.305 nan 8.380 nan 0.000 0.488 462 I N 3.048 123.508 120.570 -0.183 0.000 2.304 462 I HA 0.278 4.444 4.170 -0.007 0.000 0.291 462 I C 0.597 176.479 176.117 -0.392 0.000 1.018 462 I CA -0.486 60.746 61.300 -0.113 0.000 1.260 462 I CB 0.733 38.720 38.000 -0.022 0.000 1.390 462 I HN 0.256 nan 8.210 nan 0.000 0.475 463 R N 4.496 124.499 120.500 -0.828 0.000 2.419 463 R HA 0.191 4.527 4.340 -0.007 0.000 0.305 463 R C 0.810 176.851 176.300 -0.432 0.000 1.242 463 R CA -0.157 55.638 56.100 -0.507 0.000 1.105 463 R CB 0.509 30.557 30.300 -0.421 0.000 1.116 463 R HN 0.612 nan 8.270 nan 0.000 0.523 464 S N 1.573 117.136 115.700 -0.229 0.000 2.515 464 S HA -0.071 4.395 4.470 -0.007 0.000 0.231 464 S C 1.267 175.843 174.600 -0.039 0.000 0.987 464 S CA 0.527 58.655 58.200 -0.120 0.000 0.936 464 S CB 0.332 63.510 63.200 -0.038 0.000 0.766 464 S HN 0.654 nan 8.310 nan 0.000 0.528 465 A N 3.079 125.897 122.820 -0.004 0.000 3.029 465 A HA 0.307 4.623 4.320 -0.007 0.000 0.251 465 A C 0.945 178.647 177.584 0.196 0.000 1.749 465 A CA -0.404 51.688 52.037 0.092 0.000 1.386 465 A CB -1.089 17.962 19.000 0.085 0.000 1.043 465 A HN 0.410 nan 8.150 nan 0.000 0.638 466 T N -2.056 112.542 114.554 0.073 0.000 2.899 466 T HA 0.334 4.680 4.350 -0.007 0.000 0.295 466 T C -1.380 173.198 174.700 -0.204 0.000 1.033 466 T CA -1.383 60.732 62.100 0.026 0.000 1.084 466 T CB 0.942 69.810 68.868 0.001 0.000 0.979 466 T HN 0.207 nan 8.240 nan 0.000 0.532 467 P HA -0.087 nan 4.420 nan 0.000 0.218 467 P C 0.959 178.094 177.300 -0.274 0.000 1.148 467 P CA 1.091 63.868 63.100 -0.540 0.000 0.822 467 P CB 0.110 31.644 31.700 -0.276 0.000 0.784 468 E N 0.041 120.160 120.200 -0.135 0.000 2.152 468 E HA -0.029 4.317 4.350 -0.007 0.000 0.192 468 E C 2.242 178.810 176.600 -0.054 0.000 0.983 468 E CA 1.232 57.585 56.400 -0.079 0.000 0.818 468 E CB -1.158 28.517 29.700 -0.042 0.000 0.758 468 E HN 0.189 nan 8.360 nan 0.000 0.467 469 A N 0.784 123.572 122.820 -0.053 0.000 1.902 469 A HA -0.142 4.174 4.320 -0.007 0.000 0.217 469 A C 2.129 179.684 177.584 -0.049 0.000 1.181 469 A CA 1.242 53.283 52.037 0.007 0.000 0.623 469 A CB -0.623 18.383 19.000 0.011 0.000 0.818 469 A HN 0.284 nan 8.150 nan 0.000 0.443 470 L N -0.198 120.936 121.223 -0.147 0.000 2.046 470 L HA -0.035 4.301 4.340 -0.007 0.000 0.208 470 L C 2.662 179.397 176.870 -0.224 0.000 1.077 470 L CA 2.053 56.763 54.840 -0.216 0.000 0.747 470 L CB -0.868 41.044 42.059 -0.245 0.000 0.896 470 L HN 0.359 nan 8.230 nan 0.000 0.432 471 A N -0.488 122.238 122.820 -0.156 0.000 1.884 471 A HA -0.328 3.988 4.320 -0.007 0.000 0.219 471 A C 2.278 179.811 177.584 -0.084 0.000 1.197 471 A CA 2.341 54.316 52.037 -0.103 0.000 0.637 471 A CB -1.313 17.651 19.000 -0.060 0.000 0.827 471 A HN 0.591 nan 8.150 nan 0.000 0.450 472 F N 1.140 120.984 119.950 -0.176 0.000 2.128 472 F HA -0.102 4.421 4.527 -0.007 0.000 0.295 472 F C 2.297 177.977 175.800 -0.201 0.000 1.100 472 F CA 1.936 59.838 58.000 -0.163 0.000 1.260 472 F CB -0.685 38.221 39.000 -0.157 0.000 1.009 472 F HN 0.144 nan 8.300 nan 0.000 0.476 473 V N -0.718 118.800 119.914 -0.660 0.000 2.626 473 V HA -0.217 3.899 4.120 -0.007 0.000 0.252 473 V C 1.960 177.603 176.094 -0.752 0.000 1.067 473 V CA 1.973 63.791 62.300 -0.803 0.000 1.081 473 V CB -1.262 30.204 31.823 -0.595 0.000 0.686 473 V HN 0.516 nan 8.190 nan 0.000 0.468 474 Q N 0.531 119.933 119.800 -0.662 0.000 2.364 474 Q HA 0.107 4.443 4.340 -0.007 0.000 0.207 474 Q C 2.314 178.154 176.000 -0.266 0.000 0.970 474 Q CA 1.246 56.794 55.803 -0.426 0.000 0.888 474 Q CB -0.300 28.265 28.738 -0.290 0.000 0.951 474 Q HN 0.812 nan 8.270 nan 0.000 0.469 475 A N 0.114 122.760 122.820 -0.290 0.000 2.168 475 A HA -0.050 4.266 4.320 -0.007 0.000 0.215 475 A C 1.487 178.963 177.584 -0.181 0.000 1.152 475 A CA 0.838 52.764 52.037 -0.185 0.000 0.716 475 A CB 0.138 19.055 19.000 -0.138 0.000 0.794 475 A HN 0.251 nan 8.150 nan 0.000 0.465 476 M N -1.133 118.313 119.600 -0.256 0.000 2.705 476 M HA 0.203 4.679 4.480 -0.007 0.000 0.387 476 M C -0.010 176.213 176.300 -0.129 0.000 1.204 476 M CA 0.356 55.532 55.300 -0.206 0.000 0.905 476 M CB 0.338 32.743 32.600 -0.325 0.000 1.394 476 M HN 0.166 nan 8.290 nan 0.000 0.515 477 T N -0.834 113.663 114.554 -0.096 0.000 3.647 477 T HA 0.078 4.423 4.350 -0.007 0.000 0.307 477 T C -0.619 174.019 174.700 -0.103 0.000 0.877 477 T CA -0.099 61.969 62.100 -0.054 0.000 0.914 477 T CB 0.831 69.720 68.868 0.035 0.000 1.203 477 T HN 0.127 nan 8.240 nan 0.000 0.702 478 D N 1.505 121.825 120.400 -0.133 0.000 2.584 478 D HA 0.219 4.855 4.640 -0.007 0.000 0.238 478 D C -1.015 175.154 176.300 -0.218 0.000 1.302 478 D CA -0.173 53.636 54.000 -0.319 0.000 0.884 478 D CB -0.077 40.563 40.800 -0.267 0.000 1.456 478 D HN 0.507 nan 8.370 nan 0.000 0.528 479 H N 1.350 120.414 119.070 -0.010 0.000 3.094 479 H HA -0.146 4.406 4.556 -0.007 0.000 0.336 479 H C 1.099 176.415 175.328 -0.020 0.000 1.069 479 H CA 0.494 56.534 56.048 -0.012 0.000 1.079 479 H CB 0.017 29.775 29.762 -0.007 0.000 1.599 479 H HN 0.267 nan 8.280 nan 0.000 0.380 480 K N 1.005 121.460 120.400 0.091 0.000 2.365 480 K HA 0.308 4.624 4.320 -0.007 0.000 0.195 480 K C 2.051 178.675 176.600 0.039 0.000 1.079 480 K CA 0.718 57.027 56.287 0.037 0.000 0.979 480 K CB -0.247 32.263 32.500 0.017 0.000 0.929 480 K HN 0.379 nan 8.250 nan 0.000 0.523 481 A N 2.306 125.158 122.820 0.053 0.000 1.873 481 A HA -0.123 4.193 4.320 -0.007 0.000 0.219 481 A C 1.955 179.553 177.584 0.023 0.000 1.269 481 A CA 2.913 54.968 52.037 0.029 0.000 0.671 481 A CB -1.157 17.852 19.000 0.015 0.000 0.842 481 A HN 0.618 nan 8.150 nan 0.000 0.460 482 A N -3.264 119.572 122.820 0.026 0.000 3.337 482 A HA 0.662 4.978 4.320 -0.007 0.000 0.173 482 A C 0.725 178.323 177.584 0.023 0.000 1.986 482 A CA 0.207 52.255 52.037 0.019 0.000 0.954 482 A CB -0.027 18.982 19.000 0.015 0.000 1.899 482 A HN 1.551 nan 8.150 nan 0.000 0.732 483 M N -0.842 118.771 119.600 0.022 0.000 4.017 483 M HA -0.077 4.399 4.480 -0.007 0.000 0.157 483 M C -2.544 173.770 176.300 0.024 0.000 1.527 483 M CA -0.314 55.000 55.300 0.023 0.000 1.088 483 M CB -0.954 31.659 32.600 0.023 0.000 1.344 483 M HN 0.415 nan 8.290 nan 0.000 0.227 484 P HA 0.080 nan 4.420 nan 0.000 0.262 484 P C 0.374 177.696 177.300 0.037 0.000 1.182 484 P CA 0.950 64.067 63.100 0.028 0.000 0.761 484 P CB 0.624 32.340 31.700 0.027 0.000 0.795 485 A N 3.682 126.526 122.820 0.041 0.000 1.978 485 A HA -0.199 4.117 4.320 -0.007 0.000 0.220 485 A C 2.215 179.834 177.584 0.059 0.000 1.170 485 A CA 2.115 54.184 52.037 0.054 0.000 0.636 485 A CB -1.436 17.598 19.000 0.056 0.000 0.810 485 A HN 0.628 nan 8.150 nan 0.000 0.448 486 S N -0.037 115.692 115.700 0.049 0.000 2.399 486 S HA -0.210 4.256 4.470 -0.007 0.000 0.231 486 S C 1.624 176.252 174.600 0.048 0.000 1.022 486 S CA 1.371 59.600 58.200 0.048 0.000 0.983 486 S CB -0.469 62.754 63.200 0.039 0.000 0.803 486 S HN 0.696 nan 8.310 nan 0.000 0.480 487 E N 1.831 122.057 120.200 0.045 0.000 2.031 487 E HA -0.143 4.203 4.350 -0.007 0.000 0.193 487 E C 2.217 178.855 176.600 0.063 0.000 0.994 487 E CA 1.429 57.855 56.400 0.043 0.000 0.800 487 E CB -0.197 29.524 29.700 0.035 0.000 0.752 487 E HN 0.621 nan 8.360 nan 0.000 0.447 488 K N 0.565 121.011 120.400 0.077 0.000 2.074 488 K HA -0.192 4.124 4.320 -0.007 0.000 0.209 488 K C 2.225 178.911 176.600 0.144 0.000 1.048 488 K CA 1.027 57.396 56.287 0.137 0.000 0.926 488 K CB -0.232 32.347 32.500 0.131 0.000 0.713 488 K HN 0.038 nan 8.250 nan 0.000 0.444 489 L N 2.147 123.423 121.223 0.088 0.000 2.046 489 L HA -0.231 4.105 4.340 -0.007 0.000 0.208 489 L C 2.485 179.356 176.870 0.002 0.000 1.077 489 L CA 1.684 56.551 54.840 0.046 0.000 0.747 489 L CB -0.534 41.566 42.059 0.068 0.000 0.896 489 L HN 0.253 nan 8.230 nan 0.000 0.432 490 Q N -0.969 118.847 119.800 0.026 0.000 2.084 490 Q HA -0.213 4.123 4.340 -0.007 0.000 0.202 490 Q C 2.134 178.125 176.000 -0.014 0.000 0.978 490 Q CA 2.175 57.985 55.803 0.012 0.000 0.844 490 Q CB -0.895 27.856 28.738 0.021 0.000 0.898 490 Q HN 0.528 nan 8.270 nan 0.000 0.426 491 L N -0.009 121.227 121.223 0.021 0.000 2.083 491 L HA -0.160 4.176 4.340 -0.007 0.000 0.209 491 L C 2.440 179.220 176.870 -0.151 0.000 1.083 491 L CA 0.660 55.526 54.840 0.042 0.000 0.752 491 L CB -0.508 41.657 42.059 0.177 0.000 0.899 491 L HN 0.268 nan 8.230 nan 0.000 0.433 492 L N -0.172 120.837 121.223 -0.357 0.000 2.017 492 L HA -0.252 4.084 4.340 -0.007 0.000 0.208 492 L C 2.597 179.154 176.870 -0.522 0.000 1.073 492 L CA 1.793 56.122 54.840 -0.852 0.000 0.745 492 L CB -0.681 40.911 42.059 -0.778 0.000 0.894 492 L HN 0.283 nan 8.230 nan 0.000 0.432 493 Q N -1.333 118.301 119.800 -0.277 0.000 2.061 493 Q HA -0.222 4.113 4.340 -0.007 0.000 0.204 493 Q C 1.954 177.892 176.000 -0.103 0.000 0.984 493 Q CA 2.548 58.272 55.803 -0.131 0.000 0.846 493 Q CB -0.139 28.602 28.738 0.005 0.000 0.902 493 Q HN 0.582 nan 8.270 nan 0.000 0.421 494 T N 0.564 115.064 114.554 -0.090 0.000 2.684 494 T HA -0.170 4.176 4.350 -0.007 0.000 0.267 494 T C 1.747 176.402 174.700 -0.074 0.000 1.036 494 T CA 1.421 63.488 62.100 -0.055 0.000 1.148 494 T CB -0.417 68.430 68.868 -0.036 0.000 0.863 494 T HN 0.488 nan 8.240 nan 0.000 0.436 495 A N 1.639 124.376 122.820 -0.138 0.000 1.898 495 A HA -0.043 4.273 4.320 -0.007 0.000 0.216 495 A C 2.356 179.856 177.584 -0.140 0.000 1.181 495 A CA 1.310 53.266 52.037 -0.134 0.000 0.620 495 A CB -0.557 18.325 19.000 -0.197 0.000 0.819 495 A HN 0.317 nan 8.150 nan 0.000 0.442 496 M N -0.548 118.930 119.600 -0.203 0.000 2.086 496 M HA -0.212 4.264 4.480 -0.007 0.000 0.261 496 M C 2.284 178.571 176.300 -0.023 0.000 1.067 496 M CA 1.673 56.896 55.300 -0.128 0.000 1.116 496 M CB -1.467 30.974 32.600 -0.266 0.000 1.348 496 M HN 0.537 nan 8.290 nan 0.000 0.407 497 Q N -0.239 119.558 119.800 -0.005 0.000 2.135 497 Q HA -0.141 4.195 4.340 -0.007 0.000 0.204 497 Q C 2.162 178.186 176.000 0.041 0.000 0.981 497 Q CA 1.851 57.675 55.803 0.034 0.000 0.856 497 Q CB -0.317 28.440 28.738 0.031 0.000 0.902 497 Q HN 0.596 nan 8.270 nan 0.000 0.425 498 A N 0.407 123.244 122.820 0.029 0.000 1.897 498 A HA -0.231 4.085 4.320 -0.007 0.000 0.215 498 A C 2.017 179.658 177.584 0.096 0.000 1.181 498 A CA 1.486 53.557 52.037 0.058 0.000 0.620 498 A CB -0.413 18.611 19.000 0.040 0.000 0.821 498 A HN 0.240 nan 8.150 nan 0.000 0.443 499 Q N -0.194 119.644 119.800 0.063 0.000 2.046 499 Q HA -0.104 4.232 4.340 -0.007 0.000 0.200 499 Q C 2.036 178.102 176.000 0.109 0.000 0.975 499 Q CA 2.622 58.471 55.803 0.076 0.000 0.836 499 Q CB -0.940 27.819 28.738 0.034 0.000 0.896 499 Q HN 0.544 nan 8.270 nan 0.000 0.428 500 T N 0.636 115.246 114.554 0.093 0.000 2.746 500 T HA -0.175 4.171 4.350 -0.007 0.000 0.267 500 T C 1.529 176.292 174.700 0.104 0.000 1.039 500 T CA 1.455 63.615 62.100 0.101 0.000 1.142 500 T CB -0.290 68.634 68.868 0.093 0.000 0.866 500 T HN 0.486 nan 8.240 nan 0.000 0.444 501 E N -0.233 120.026 120.200 0.098 0.000 2.058 501 E HA -0.178 4.168 4.350 -0.007 0.000 0.194 501 E C 1.958 178.622 176.600 0.106 0.000 0.997 501 E CA 1.105 57.556 56.400 0.084 0.000 0.801 501 E CB -0.235 29.506 29.700 0.068 0.000 0.746 501 E HN 0.653 nan 8.360 nan 0.000 0.450 502 Y N 0.834 121.164 120.300 0.049 0.000 2.224 502 Y HA -0.225 4.321 4.550 -0.007 0.000 0.289 502 Y C 2.483 178.414 175.900 0.052 0.000 1.146 502 Y CA 1.881 60.014 58.100 0.054 0.000 1.182 502 Y CB -0.095 38.397 38.460 0.053 0.000 0.983 502 Y HN 0.094 nan 8.280 nan 0.000 0.524 503 T N -0.651 114.050 114.554 0.244 0.000 2.652 503 T HA -0.221 4.125 4.350 -0.007 0.000 0.267 503 T C 1.941 176.710 174.700 0.116 0.000 1.039 503 T CA 1.792 63.995 62.100 0.171 0.000 1.153 503 T CB -0.747 68.203 68.868 0.135 0.000 0.863 503 T HN 0.152 nan 8.240 nan 0.000 0.428 504 V N 1.610 121.578 119.914 0.090 0.000 2.490 504 V HA -0.199 3.916 4.120 -0.007 0.000 0.250 504 V C 2.391 178.514 176.094 0.049 0.000 1.061 504 V CA 1.803 64.141 62.300 0.063 0.000 1.064 504 V CB -0.662 31.194 31.823 0.054 0.000 0.670 504 V HN 0.490 nan 8.190 nan 0.000 0.461 505 M N 0.213 119.819 119.600 0.010 0.000 2.065 505 M HA -0.212 4.264 4.480 -0.007 0.000 0.259 505 M C 2.182 178.483 176.300 0.003 0.000 1.069 505 M CA 2.541 57.815 55.300 -0.043 0.000 1.110 505 M CB -0.311 32.166 32.600 -0.205 0.000 1.328 505 M HN 0.319 nan 8.290 nan 0.000 0.405 506 A N 0.840 123.681 122.820 0.034 0.000 1.873 506 A HA -0.135 4.181 4.320 -0.007 0.000 0.215 506 A C 2.006 179.652 177.584 0.103 0.000 1.186 506 A CA 1.740 53.830 52.037 0.089 0.000 0.616 506 A CB -1.273 17.820 19.000 0.153 0.000 0.823 506 A HN 0.821 nan 8.150 nan 0.000 0.442 507 I N -1.814 118.818 120.570 0.102 0.000 2.916 507 I HA -0.064 4.102 4.170 -0.007 0.000 0.267 507 I C 1.569 177.795 176.117 0.182 0.000 1.263 507 I CA 1.735 63.103 61.300 0.113 0.000 1.471 507 I CB -0.586 37.456 38.000 0.070 0.000 1.089 507 I HN 0.298 nan 8.210 nan 0.000 0.468 508 T N -2.413 112.254 114.554 0.188 0.000 3.186 508 T HA 0.502 4.848 4.350 -0.007 0.000 0.257 508 T C 1.392 176.246 174.700 0.257 0.000 1.029 508 T CA 0.151 62.433 62.100 0.304 0.000 0.916 508 T CB 0.143 69.113 68.868 0.171 0.000 1.041 508 T HN 0.679 nan 8.240 nan 0.000 0.562 509 G N 1.910 110.802 108.800 0.153 0.000 2.162 509 G HA2 -0.250 3.706 3.960 -0.007 0.000 0.260 509 G HA3 -0.250 3.706 3.960 -0.007 0.000 0.260 509 G C 0.705 175.599 174.900 -0.010 0.000 0.976 509 G CA 0.399 45.477 45.100 -0.037 0.000 0.655 509 G HN 0.503 nan 8.290 nan 0.000 0.533 510 M N 0.102 119.713 119.600 0.019 0.000 2.383 510 M HA 0.469 4.945 4.480 -0.007 0.000 0.247 510 M C 1.472 177.771 176.300 -0.003 0.000 1.117 510 M CA 0.719 56.019 55.300 -0.000 0.000 0.995 510 M CB 0.106 32.699 32.600 -0.010 0.000 1.480 510 M HN 0.511 nan 8.290 nan 0.000 0.485 511 A N 1.262 124.098 122.820 0.026 0.000 2.621 511 A HA 0.574 4.890 4.320 -0.007 0.000 0.267 511 A C 1.258 178.937 177.584 0.160 0.000 1.506 511 A CA -0.368 51.684 52.037 0.026 0.000 0.873 511 A CB 0.385 19.433 19.000 0.079 0.000 1.577 511 A HN 0.442 nan 8.150 nan 0.000 0.536 512 I N -4.483 116.235 120.570 0.247 0.000 4.032 512 I HA 0.213 4.379 4.170 -0.007 0.000 0.313 512 I C 0.794 177.105 176.117 0.323 0.000 1.272 512 I CA 0.676 62.156 61.300 0.300 0.000 1.307 512 I CB -0.138 38.050 38.000 0.313 0.000 1.155 512 I HN 0.371 nan 8.210 nan 0.000 0.431 513 D N 2.262 122.852 120.400 0.317 0.000 2.084 513 D HA -0.142 4.494 4.640 -0.007 0.000 0.196 513 D C 1.884 178.384 176.300 0.334 0.000 0.985 513 D CA 1.360 55.553 54.000 0.322 0.000 0.826 513 D CB -0.279 40.721 40.800 0.334 0.000 0.978 513 D HN 0.280 nan 8.370 nan 0.000 0.456 514 N N -0.213 118.693 118.700 0.344 0.000 2.120 514 N HA -0.170 4.566 4.740 -0.007 0.000 0.188 514 N C 1.660 177.526 175.510 0.594 0.000 1.024 514 N CA 0.831 54.111 53.050 0.384 0.000 0.852 514 N CB -0.466 38.165 38.487 0.239 0.000 1.003 514 N HN 0.468 nan 8.380 nan 0.000 0.424 515 H N 0.577 119.904 119.070 0.430 0.000 2.293 515 H HA 0.007 4.559 4.556 -0.006 0.000 0.300 515 H C 2.047 177.496 175.328 0.201 0.000 1.082 515 H CA 1.076 57.294 56.048 0.282 0.000 1.308 515 H CB 0.031 29.889 29.762 0.160 0.000 1.375 515 H HN 0.077 nan 8.280 nan 0.000 0.495 516 L N 0.362 121.699 121.223 0.189 0.000 2.083 516 L HA -0.195 4.141 4.340 -0.007 0.000 0.209 516 L C 2.726 179.583 176.870 -0.021 0.000 1.083 516 L CA 0.494 55.380 54.840 0.077 0.000 0.752 516 L CB -0.322 41.845 42.059 0.180 0.000 0.899 516 L HN 0.311 nan 8.230 nan 0.000 0.433 517 L N 0.411 121.695 121.223 0.102 0.000 2.012 517 L HA -0.190 4.146 4.340 -0.007 0.000 0.210 517 L C 2.594 179.386 176.870 -0.131 0.000 1.073 517 L CA 2.204 57.047 54.840 0.005 0.000 0.748 517 L CB -0.724 41.434 42.059 0.165 0.000 0.891 517 L HN 0.140 nan 8.230 nan 0.000 0.431 518 A N -0.780 122.115 122.820 0.124 0.000 1.968 518 A HA -0.082 4.234 4.320 -0.007 0.000 0.217 518 A C 2.228 179.734 177.584 -0.129 0.000 1.169 518 A CA 1.604 53.675 52.037 0.057 0.000 0.638 518 A CB -0.817 18.549 19.000 0.612 0.000 0.812 518 A HN 0.528 nan 8.150 nan 0.000 0.446 519 L N -0.813 120.357 121.223 -0.087 0.000 2.042 519 L HA -0.203 4.133 4.340 -0.007 0.000 0.210 519 L C 2.766 179.479 176.870 -0.262 0.000 1.076 519 L CA 1.908 56.709 54.840 -0.065 0.000 0.749 519 L CB -0.505 41.609 42.059 0.092 0.000 0.893 519 L HN 0.472 nan 8.230 nan 0.000 0.432 520 R N 0.085 120.138 120.500 -0.745 0.000 2.081 520 R HA -0.165 4.171 4.340 -0.007 0.000 0.235 520 R C 2.135 178.077 176.300 -0.597 0.000 1.131 520 R CA 1.368 56.733 56.100 -1.226 0.000 0.960 520 R CB 0.009 29.440 30.300 -1.448 0.000 0.856 520 R HN 0.290 nan 8.270 nan 0.000 0.436 521 E N 0.681 120.548 120.200 -0.556 0.000 2.152 521 E HA -0.125 4.221 4.350 -0.007 0.000 0.192 521 E C 2.079 178.476 176.600 -0.338 0.000 0.983 521 E CA 0.780 56.858 56.400 -0.536 0.000 0.818 521 E CB -0.113 28.961 29.700 -1.043 0.000 0.758 521 E HN 0.404 nan 8.360 nan 0.000 0.467 522 L N 0.393 121.450 121.223 -0.276 0.000 2.131 522 L HA -0.030 4.306 4.340 -0.007 0.000 0.206 522 L C 2.418 179.259 176.870 -0.049 0.000 1.087 522 L CA 0.788 55.587 54.840 -0.068 0.000 0.767 522 L CB -0.388 41.667 42.059 -0.006 0.000 0.917 522 L HN 0.039 nan 8.230 nan 0.000 0.441 523 A N 0.025 122.807 122.820 -0.063 0.000 1.917 523 A HA -0.260 4.056 4.320 -0.007 0.000 0.219 523 A C 2.394 179.966 177.584 -0.020 0.000 1.182 523 A CA 1.673 53.708 52.037 -0.004 0.000 0.633 523 A CB -0.543 18.497 19.000 0.066 0.000 0.819 523 A HN 0.297 nan 8.150 nan 0.000 0.448 524 R N -0.832 119.628 120.500 -0.068 0.000 2.096 524 R HA -0.141 4.195 4.340 -0.007 0.000 0.235 524 R C 1.823 178.108 176.300 -0.026 0.000 1.127 524 R CA 1.518 57.583 56.100 -0.058 0.000 0.968 524 R CB -0.286 29.956 30.300 -0.097 0.000 0.861 524 R HN 0.667 nan 8.270 nan 0.000 0.440 525 D N 0.161 120.549 120.400 -0.019 0.000 2.083 525 D HA -0.074 4.562 4.640 -0.007 0.000 0.225 525 D C 1.687 177.995 176.300 0.013 0.000 0.974 525 D CA 1.053 55.059 54.000 0.009 0.000 0.906 525 D CB 0.002 40.823 40.800 0.034 0.000 1.028 525 D HN 0.062 nan 8.370 nan 0.000 0.446 526 L N -0.145 121.088 121.223 0.017 0.000 2.554 526 L HA 0.131 4.467 4.340 -0.007 0.000 0.225 526 L C 1.009 177.886 176.870 0.012 0.000 1.104 526 L CA 0.031 54.881 54.840 0.016 0.000 0.866 526 L CB 0.845 42.915 42.059 0.020 0.000 1.047 526 L HN 0.147 nan 8.230 nan 0.000 0.468 527 C N 1.352 120.659 119.300 0.012 0.000 2.339 527 C HA 0.300 4.756 4.460 -0.007 0.000 0.361 527 C C 0.564 175.562 174.990 0.014 0.000 1.378 527 C CA -0.782 58.243 59.018 0.012 0.000 1.763 527 C CB -1.623 26.126 27.740 0.016 0.000 2.632 527 C HN 0.345 nan 8.230 nan 0.000 0.576 528 K N 1.352 121.758 120.400 0.009 0.000 1.129 528 K HA -0.168 4.148 4.320 -0.007 0.000 0.768 528 K C 0.254 176.860 176.600 0.009 0.000 1.987 528 K CA 1.151 57.443 56.287 0.008 0.000 1.235 528 K CB -0.623 31.883 32.500 0.009 0.000 2.286 528 K HN 0.770 nan 8.250 nan 0.000 0.408 529 E N 1.835 122.040 120.200 0.008 0.000 2.435 529 E HA 0.383 4.729 4.350 -0.007 0.000 0.254 529 E C -2.047 174.561 176.600 0.013 0.000 1.289 529 E CA -1.398 55.005 56.400 0.006 0.000 0.983 529 E CB -0.057 29.645 29.700 0.004 0.000 1.010 529 E HN 0.257 nan 8.360 nan 0.000 0.509 530 P HA 0.307 nan 4.420 nan 0.000 0.290 530 P C -2.602 174.713 177.300 0.025 0.000 1.283 530 P CA -1.884 61.230 63.100 0.024 0.000 0.869 530 P CB 0.590 32.301 31.700 0.019 0.000 1.100 531 P HA 0.136 nan 4.420 nan 0.000 0.282 531 P C 0.781 178.042 177.300 -0.065 0.000 1.249 531 P CA -0.388 62.720 63.100 0.014 0.000 0.806 531 P CB 0.783 32.519 31.700 0.060 0.000 0.984 532 E N 1.536 121.684 120.200 -0.086 0.000 2.114 532 E HA -0.315 4.031 4.350 -0.007 0.000 0.199 532 E C 1.579 178.026 176.600 -0.255 0.000 1.008 532 E CA 1.271 57.600 56.400 -0.118 0.000 0.810 532 E CB -0.740 28.911 29.700 -0.082 0.000 0.739 532 E HN 0.211 nan 8.360 nan 0.000 0.456 533 M N 0.712 120.032 119.600 -0.466 0.000 2.108 533 M HA -0.088 4.387 4.480 -0.007 0.000 0.261 533 M C 1.414 177.119 176.300 -0.993 0.000 1.066 533 M CA 1.691 56.441 55.300 -0.915 0.000 1.107 533 M CB -0.253 31.273 32.600 -1.791 0.000 1.356 533 M HN 0.210 nan 8.290 nan 0.000 0.406 534 F N -2.010 117.654 119.950 -0.476 0.000 2.749 534 F HA 0.211 4.734 4.527 -0.007 0.000 0.300 534 F C 1.637 177.341 175.800 -0.159 0.000 1.103 534 F CA -0.029 57.633 58.000 -0.564 0.000 1.342 534 F CB -0.223 38.400 39.000 -0.629 0.000 1.098 534 F HN 0.051 nan 8.300 nan 0.000 0.586 535 M N -0.679 118.921 119.600 -0.001 0.000 2.509 535 M HA 0.040 4.516 4.480 -0.007 0.000 0.250 535 M C 0.074 176.392 176.300 0.030 0.000 1.132 535 M CA 0.147 55.466 55.300 0.032 0.000 1.080 535 M CB -0.133 32.467 32.600 0.001 0.000 1.408 535 M HN -0.138 nan 8.290 nan 0.000 0.484 536 D N 1.695 122.100 120.400 0.008 0.000 2.458 536 D HA -0.087 4.549 4.640 -0.007 0.000 0.243 536 D C 0.844 177.191 176.300 0.078 0.000 1.146 536 D CA 0.537 54.550 54.000 0.022 0.000 0.877 536 D CB 1.106 41.901 40.800 -0.008 0.000 1.176 536 D HN 0.027 nan 8.370 nan 0.000 0.461 537 E N 1.858 122.080 120.200 0.037 0.000 2.265 537 E HA -0.133 4.213 4.350 -0.007 0.000 0.196 537 E C 1.401 178.021 176.600 0.033 0.000 0.996 537 E CA 1.317 57.733 56.400 0.027 0.000 0.832 537 E CB -0.011 29.692 29.700 0.004 0.000 0.756 537 E HN 0.562 nan 8.360 nan 0.000 0.491 538 T N -0.506 114.084 114.554 0.061 0.000 2.777 538 T HA -0.160 4.186 4.350 -0.007 0.000 0.266 538 T C 1.380 176.176 174.700 0.159 0.000 1.040 538 T CA 1.345 63.494 62.100 0.082 0.000 1.141 538 T CB -0.563 68.341 68.868 0.060 0.000 0.868 538 T HN 0.341 nan 8.240 nan 0.000 0.444 539 Y N 1.771 122.153 120.300 0.136 0.000 2.242 539 Y HA 0.029 4.575 4.550 -0.008 0.000 0.291 539 Y C 1.884 177.815 175.900 0.051 0.000 1.137 539 Y CA 0.906 59.092 58.100 0.144 0.000 1.181 539 Y CB -0.457 38.038 38.460 0.059 0.000 0.989 539 Y HN 0.131 nan 8.280 nan 0.000 0.527 540 L N -0.892 120.304 121.223 -0.044 0.000 2.109 540 L HA -0.201 4.135 4.340 -0.007 0.000 0.207 540 L C 2.425 179.167 176.870 -0.213 0.000 1.086 540 L CA 1.265 56.014 54.840 -0.152 0.000 0.760 540 L CB -0.563 41.475 42.059 -0.034 0.000 0.910 540 L HN 0.230 nan 8.230 nan 0.000 0.437 541 M N -0.021 119.496 119.600 -0.139 0.000 2.202 541 M HA -0.175 4.301 4.480 -0.007 0.000 0.262 541 M C 2.547 178.722 176.300 -0.208 0.000 1.063 541 M CA 1.946 57.155 55.300 -0.150 0.000 1.097 541 M CB -0.457 32.090 32.600 -0.089 0.000 1.382 541 M HN 0.397 nan 8.290 nan 0.000 0.413 542 S N 0.241 115.825 115.700 -0.193 0.000 2.447 542 S HA -0.070 4.396 4.470 -0.007 0.000 0.233 542 S C 1.246 175.615 174.600 -0.384 0.000 1.006 542 S CA 1.005 59.102 58.200 -0.171 0.000 0.957 542 S CB -0.356 62.862 63.200 0.030 0.000 0.773 542 S HN 0.469 nan 8.310 nan 0.000 0.507 543 N N 1.093 119.414 118.700 -0.632 0.000 2.214 543 N HA 0.204 4.940 4.740 -0.007 0.000 0.214 543 N C -0.507 174.327 175.510 -1.127 0.000 1.132 543 N CA 0.001 52.440 53.050 -1.018 0.000 0.856 543 N CB 0.310 38.438 38.487 -0.599 0.000 1.020 543 N HN 0.455 nan 8.380 nan 0.000 0.509 544 R N 0.522 120.557 120.500 -0.775 0.000 2.369 544 R HA 0.264 4.600 4.340 -0.007 0.000 0.310 544 R C -0.671 175.394 176.300 -0.392 0.000 1.141 544 R CA -0.327 55.484 56.100 -0.482 0.000 1.116 544 R CB -0.162 29.980 30.300 -0.264 0.000 1.135 544 R HN 0.007 nan 8.270 nan 0.000 0.529 545 F N 2.236 122.145 119.950 -0.069 0.000 2.462 545 F HA 0.053 4.576 4.527 -0.006 0.000 0.354 545 F C 1.532 177.298 175.800 -0.056 0.000 1.192 545 F CA -0.567 57.407 58.000 -0.043 0.000 1.173 545 F CB 0.817 39.805 39.000 -0.020 0.000 1.402 545 F HN 0.240 nan 8.300 nan 0.000 0.595 546 V N 2.898 122.842 119.914 0.050 0.000 2.809 546 V HA -0.150 3.966 4.120 -0.007 0.000 0.256 546 V C 0.421 176.521 176.094 0.009 0.000 1.080 546 V CA 0.938 63.229 62.300 -0.014 0.000 1.102 546 V CB -0.245 31.512 31.823 -0.110 0.000 0.705 546 V HN 0.385 nan 8.190 nan 0.000 0.475 547 L N 0.255 121.482 121.223 0.006 0.000 2.294 547 L HA 0.548 4.884 4.340 -0.007 0.000 0.283 547 L C -0.215 176.738 176.870 0.139 0.000 1.015 547 L CA 0.332 55.192 54.840 0.034 0.000 0.831 547 L CB 1.461 43.481 42.059 -0.064 0.000 1.217 547 L HN -0.000 nan 8.230 nan 0.000 0.420 548 S N 3.050 118.858 115.700 0.180 0.000 2.552 548 S HA 0.863 5.328 4.470 -0.007 0.000 0.314 548 S C -0.400 174.395 174.600 0.325 0.000 1.099 548 S CA -0.107 58.217 58.200 0.206 0.000 1.070 548 S CB 0.762 64.031 63.200 0.114 0.000 0.998 548 S HN 0.803 nan 8.310 nan 0.000 0.474 549 T N 0.976 115.749 114.554 0.365 0.000 2.896 549 T HA 0.881 5.227 4.350 -0.007 0.000 0.297 549 T C -0.733 174.196 174.700 0.382 0.000 1.108 549 T CA -0.587 61.764 62.100 0.418 0.000 1.004 549 T CB 1.566 70.672 68.868 0.397 0.000 1.159 549 T HN 1.007 nan 8.240 nan 0.000 0.499 550 S N 0.576 116.472 115.700 0.327 0.000 2.567 550 S HA 0.475 4.941 4.470 -0.007 0.000 0.270 550 S C -1.403 172.986 174.600 -0.353 0.000 1.152 550 S CA -1.032 57.238 58.200 0.117 0.000 0.835 550 S CB 1.743 65.077 63.200 0.224 0.000 1.115 550 S HN 1.077 nan 8.310 nan 0.000 0.459 551 Q N 1.037 120.557 119.800 -0.466 0.000 2.303 551 Q HA 0.606 4.942 4.340 -0.007 0.000 0.257 551 Q C -1.531 174.333 176.000 -0.225 0.000 0.941 551 Q CA -0.645 54.759 55.803 -0.665 0.000 0.931 551 Q CB 1.178 29.715 28.738 -0.335 0.000 1.215 551 Q HN 0.658 nan 8.270 nan 0.000 0.437 552 V N 7.842 127.654 119.914 -0.170 0.000 2.383 552 V HA 0.320 4.436 4.120 -0.007 0.000 0.264 552 V C -2.196 173.906 176.094 0.015 0.000 1.001 552 V CA -1.283 61.012 62.300 -0.009 0.000 0.828 552 V CB 0.972 32.825 31.823 0.051 0.000 1.069 552 V HN 0.766 nan 8.190 nan 0.000 0.451 553 P HA 0.402 nan 4.420 nan 0.000 0.277 553 P C -0.271 177.070 177.300 0.070 0.000 1.240 553 P CA 0.219 63.351 63.100 0.053 0.000 0.798 553 P CB 1.746 33.482 31.700 0.060 0.000 0.979 554 T N -3.168 111.432 114.554 0.077 0.000 2.883 554 T HA 0.472 4.818 4.350 -0.007 0.000 0.296 554 T C 0.968 175.710 174.700 0.071 0.000 1.117 554 T CA -0.104 62.044 62.100 0.080 0.000 1.006 554 T CB 1.151 70.079 68.868 0.101 0.000 1.191 554 T HN 0.481 nan 8.240 nan 0.000 0.508 555 T N -1.176 113.416 114.554 0.063 0.000 3.042 555 T HA 0.288 4.634 4.350 -0.007 0.000 0.245 555 T C 1.062 175.789 174.700 0.045 0.000 1.029 555 T CA -0.227 61.903 62.100 0.050 0.000 1.120 555 T CB -0.066 68.827 68.868 0.042 0.000 0.917 555 T HN 0.469 nan 8.240 nan 0.000 0.467 556 M N 2.301 121.929 119.600 0.046 0.000 2.202 556 M HA 0.326 4.802 4.480 -0.007 0.000 0.316 556 M C 0.076 176.417 176.300 0.068 0.000 1.138 556 M CA -0.023 55.299 55.300 0.037 0.000 1.151 556 M CB 0.152 32.758 32.600 0.008 0.000 1.422 556 M HN 0.304 nan 8.290 nan 0.000 0.471 557 E N 2.966 123.210 120.200 0.073 0.000 1.932 557 E HA 0.357 4.703 4.350 -0.007 0.000 0.259 557 E C -0.369 176.328 176.600 0.162 0.000 1.099 557 E CA -0.138 56.328 56.400 0.111 0.000 0.970 557 E CB -0.029 29.727 29.700 0.094 0.000 1.143 557 E HN 0.504 nan 8.360 nan 0.000 0.441 558 M N 0.492 120.211 119.600 0.197 0.000 2.643 558 M HA 0.610 5.086 4.480 -0.007 0.000 0.276 558 M C -1.763 174.691 176.300 0.256 0.000 1.200 558 M CA -1.102 54.322 55.300 0.207 0.000 0.863 558 M CB 1.726 34.473 32.600 0.244 0.000 1.711 558 M HN 0.135 nan 8.290 nan 0.000 0.492 559 F N -0.389 119.642 119.950 0.134 0.000 2.631 559 F HA 0.869 5.391 4.527 -0.007 0.000 0.308 559 F C -1.347 174.505 175.800 0.087 0.000 1.097 559 F CA -1.079 56.980 58.000 0.099 0.000 0.952 559 F CB 1.044 40.102 39.000 0.097 0.000 1.307 559 F HN 0.946 nan 8.300 nan 0.000 0.450 560 C N 2.363 121.823 119.300 0.266 0.000 2.397 560 C HA 0.934 5.390 4.460 -0.007 0.000 0.343 560 C C 0.067 175.194 174.990 0.227 0.000 1.188 560 C CA -0.348 58.760 59.018 0.151 0.000 1.992 560 C CB 0.065 27.886 27.740 0.136 0.000 2.358 560 C HN 1.252 nan 8.230 nan 0.000 0.518 561 C N 3.520 122.894 119.300 0.123 0.000 3.291 561 C HA 1.023 5.479 4.460 -0.007 0.000 0.316 561 C C -1.359 173.608 174.990 -0.038 0.000 1.391 561 C CA -0.679 58.343 59.018 0.005 0.000 1.394 561 C CB 0.990 28.848 27.740 0.197 0.000 1.744 561 C HN 1.200 nan 8.230 nan 0.000 0.461 562 Y N -1.191 119.160 120.300 0.084 0.000 2.702 562 Y HA 0.751 5.297 4.550 -0.007 0.000 0.336 562 Y C -0.136 175.790 175.900 0.044 0.000 1.203 562 Y CA -0.608 57.516 58.100 0.040 0.000 1.072 562 Y CB 0.098 38.609 38.460 0.086 0.000 1.327 562 Y HN 1.322 nan 8.280 nan 0.000 0.456 563 G N 0.458 109.402 108.800 0.239 0.000 2.557 563 G HA2 0.647 4.603 3.960 -0.007 0.000 0.292 563 G HA3 0.647 4.603 3.960 -0.007 0.000 0.292 563 G C -2.980 171.995 174.900 0.126 0.000 1.237 563 G CA -1.891 43.268 45.100 0.099 0.000 0.978 563 G HN 0.506 nan 8.290 nan 0.000 0.498 564 P HA 0.234 nan 4.420 nan 0.000 0.278 564 P C 0.833 178.174 177.300 0.068 0.000 1.266 564 P CA -0.346 62.721 63.100 -0.055 0.000 0.807 564 P CB 1.395 32.907 31.700 -0.313 0.000 1.094 565 V N -1.510 118.447 119.914 0.072 0.000 3.578 565 V HA 0.263 4.379 4.120 -0.007 0.000 0.290 565 V C 0.344 176.474 176.094 0.060 0.000 1.376 565 V CA 0.217 62.548 62.300 0.052 0.000 1.083 565 V CB -0.216 31.597 31.823 -0.018 0.000 0.911 565 V HN 0.372 nan 8.190 nan 0.000 0.433 566 V N -5.354 114.615 119.914 0.092 0.000 3.159 566 V HA 0.687 4.803 4.120 -0.007 0.000 0.308 566 V C -2.373 173.818 176.094 0.161 0.000 1.190 566 V CA -1.687 60.652 62.300 0.065 0.000 1.037 566 V CB 1.215 33.035 31.823 -0.006 0.000 1.060 566 V HN -0.030 nan 8.190 nan 0.000 0.437 567 P HA -0.029 nan 4.420 nan 0.000 0.219 567 P C 0.751 178.142 177.300 0.153 0.000 1.150 567 P CA 1.492 64.671 63.100 0.133 0.000 0.814 567 P CB -0.010 31.670 31.700 -0.034 0.000 0.787 568 N N -0.799 117.922 118.700 0.036 0.000 2.279 568 N HA 0.096 4.832 4.740 -0.007 0.000 0.226 568 N C 0.490 175.931 175.510 -0.116 0.000 1.126 568 N CA -0.029 53.002 53.050 -0.032 0.000 0.846 568 N CB -0.156 38.306 38.487 -0.042 0.000 1.050 568 N HN -0.082 nan 8.380 nan 0.000 0.502 569 G N -0.498 108.241 108.800 -0.101 0.000 2.521 569 G HA2 0.548 4.504 3.960 -0.007 0.000 0.323 569 G HA3 0.548 4.504 3.960 -0.007 0.000 0.323 569 G C -1.563 173.124 174.900 -0.355 0.000 1.211 569 G CA -0.479 44.534 45.100 -0.145 0.000 0.979 569 G HN 0.151 nan 8.290 nan 0.000 0.490 570 Y N -1.129 119.101 120.300 -0.118 0.000 2.468 570 Y HA 0.583 5.129 4.550 -0.006 0.000 0.342 570 Y C 0.787 176.666 175.900 -0.035 0.000 1.021 570 Y CA -0.507 57.504 58.100 -0.149 0.000 1.079 570 Y CB 2.499 40.774 38.460 -0.309 0.000 1.226 570 Y HN 0.685 nan 8.280 nan 0.000 0.460 571 G N 0.691 109.590 108.800 0.165 0.000 2.372 571 G HA2 0.637 4.593 3.960 -0.007 0.000 0.323 571 G HA3 0.637 4.593 3.960 -0.007 0.000 0.323 571 G C -1.379 173.660 174.900 0.232 0.000 1.152 571 G CA -0.748 44.513 45.100 0.268 0.000 0.906 571 G HN 0.784 nan 8.290 nan 0.000 0.460 572 A N 1.405 124.399 122.820 0.289 0.000 2.411 572 A HA 0.531 4.847 4.320 -0.007 0.000 0.285 572 A C -0.685 177.099 177.584 0.333 0.000 1.129 572 A CA -0.512 51.713 52.037 0.313 0.000 0.736 572 A CB 0.912 20.168 19.000 0.427 0.000 1.186 572 A HN 1.056 nan 8.150 nan 0.000 0.445 573 C N 4.449 123.842 119.300 0.155 0.000 2.281 573 C HA 0.857 5.313 4.460 -0.007 0.000 0.325 573 C C -0.916 174.156 174.990 0.136 0.000 1.282 573 C CA -0.649 58.406 59.018 0.062 0.000 1.640 573 C CB -0.746 26.886 27.740 -0.180 0.000 2.288 573 C HN 0.816 nan 8.230 nan 0.000 0.507 574 Y N 3.658 123.984 120.300 0.044 0.000 2.462 574 Y HA 0.623 5.169 4.550 -0.007 0.000 0.346 574 Y C -0.426 175.418 175.900 -0.093 0.000 0.976 574 Y CA -1.322 56.677 58.100 -0.167 0.000 1.044 574 Y CB 0.779 39.006 38.460 -0.387 0.000 1.230 574 Y HN 0.542 nan 8.280 nan 0.000 0.455 575 N N 4.495 123.192 118.700 -0.005 0.000 2.626 575 N HA 0.446 5.182 4.740 -0.007 0.000 0.242 575 N C -3.272 172.256 175.510 0.031 0.000 1.005 575 N CA -2.539 50.529 53.050 0.030 0.000 0.905 575 N CB 1.366 39.894 38.487 0.068 0.000 1.128 575 N HN 0.418 nan 8.380 nan 0.000 0.512 576 P HA 0.278 nan 4.420 nan 0.000 0.293 576 P C -0.709 176.640 177.300 0.081 0.000 1.313 576 P CA -0.339 62.811 63.100 0.083 0.000 0.787 576 P CB 1.356 33.140 31.700 0.140 0.000 0.910 577 Q N 3.881 123.725 119.800 0.074 0.000 2.333 577 Q HA 0.361 4.697 4.340 -0.007 0.000 0.266 577 Q C -1.788 174.263 176.000 0.086 0.000 1.053 577 Q CA -2.106 53.740 55.803 0.071 0.000 0.890 577 Q CB 0.348 29.121 28.738 0.059 0.000 1.337 577 Q HN 0.176 nan 8.270 nan 0.000 0.474 578 P HA -0.076 nan 4.420 nan 0.000 0.219 578 P C 0.332 177.694 177.300 0.104 0.000 1.150 578 P CA 1.387 64.539 63.100 0.087 0.000 0.814 578 P CB 0.518 32.255 31.700 0.063 0.000 0.787 579 E N -1.867 118.381 120.200 0.081 0.000 2.601 579 E HA 0.455 4.801 4.350 -0.007 0.000 0.219 579 E C 0.378 177.007 176.600 0.049 0.000 0.964 579 E CA -0.040 56.407 56.400 0.079 0.000 1.050 579 E CB 1.194 30.921 29.700 0.046 0.000 1.068 579 E HN 0.063 nan 8.360 nan 0.000 0.496 580 A N 0.924 123.777 122.820 0.055 0.000 2.612 580 A HA 0.714 5.030 4.320 -0.007 0.000 0.293 580 A C -1.324 176.302 177.584 0.070 0.000 1.075 580 A CA -0.672 51.382 52.037 0.029 0.000 0.680 580 A CB 1.065 20.057 19.000 -0.014 0.000 1.279 580 A HN 0.069 nan 8.150 nan 0.000 0.411 581 I N 0.921 121.556 120.570 0.109 0.000 2.465 581 I HA 0.434 4.600 4.170 -0.007 0.000 0.291 581 I C -0.300 175.785 176.117 -0.053 0.000 1.014 581 I CA -0.436 60.857 61.300 -0.011 0.000 1.093 581 I CB 2.481 40.440 38.000 -0.069 0.000 1.267 581 I HN 0.539 nan 8.210 nan 0.000 0.431 582 T N 6.020 120.491 114.554 -0.138 0.000 2.743 582 T HA 0.505 4.851 4.350 -0.007 0.000 0.292 582 T C -0.595 173.991 174.700 -0.189 0.000 0.972 582 T CA -0.155 61.887 62.100 -0.097 0.000 0.967 582 T CB 0.089 68.910 68.868 -0.079 0.000 0.926 582 T HN 0.130 nan 8.240 nan 0.000 0.459 583 F N 1.554 121.567 119.950 0.106 0.000 2.436 583 F HA 0.397 4.920 4.527 -0.007 0.000 0.340 583 F C 0.386 176.207 175.800 0.035 0.000 1.113 583 F CA -0.906 57.173 58.000 0.132 0.000 1.022 583 F CB 1.055 40.148 39.000 0.155 0.000 1.128 583 F HN 0.414 nan 8.300 nan 0.000 0.466 584 C N 5.740 125.168 119.300 0.213 0.000 2.206 584 C HA 0.508 4.964 4.460 -0.007 0.000 0.324 584 C C -0.270 174.792 174.990 0.119 0.000 1.120 584 C CA -0.866 58.214 59.018 0.103 0.000 1.546 584 C CB -1.189 26.714 27.740 0.271 0.000 2.023 584 C HN 0.370 nan 8.230 nan 0.000 0.448 585 I N 4.200 124.752 120.570 -0.030 0.000 2.330 585 I HA 0.369 4.535 4.170 -0.007 0.000 0.289 585 I C 0.615 176.775 176.117 0.072 0.000 1.001 585 I CA 0.352 61.702 61.300 0.084 0.000 1.193 585 I CB 1.268 39.339 38.000 0.118 0.000 1.345 585 I HN 0.665 nan 8.210 nan 0.000 0.461 586 S N 4.743 120.570 115.700 0.212 0.000 2.568 586 S HA 0.924 5.390 4.470 -0.007 0.000 0.302 586 S C -0.233 174.361 174.600 -0.010 0.000 1.082 586 S CA -0.498 57.808 58.200 0.177 0.000 1.009 586 S CB 2.498 65.821 63.200 0.205 0.000 1.069 586 S HN 0.716 nan 8.310 nan 0.000 0.500 587 S N 0.776 116.359 115.700 -0.195 0.000 2.643 587 S HA 0.729 5.195 4.470 -0.007 0.000 0.270 587 S C -1.606 172.706 174.600 -0.481 0.000 1.166 587 S CA -1.077 56.867 58.200 -0.428 0.000 0.815 587 S CB 0.327 63.252 63.200 -0.458 0.000 1.139 587 S HN 0.662 nan 8.310 nan 0.000 0.472 588 F N 1.427 121.272 119.950 -0.174 0.000 2.458 588 F HA 0.479 5.003 4.527 -0.005 0.000 0.336 588 F C 1.725 177.447 175.800 -0.129 0.000 1.114 588 F CA -0.958 56.964 58.000 -0.129 0.000 0.987 588 F CB 1.408 40.365 39.000 -0.072 0.000 1.130 588 F HN 0.719 nan 8.300 nan 0.000 0.458 589 H N 0.606 119.785 119.070 0.181 0.000 2.457 589 H HA -0.132 4.419 4.556 -0.007 0.000 0.297 589 H C 2.126 177.499 175.328 0.076 0.000 1.092 589 H CA 1.758 57.867 56.048 0.102 0.000 1.309 589 H CB -0.063 29.751 29.762 0.087 0.000 1.382 589 H HN 0.579 nan 8.280 nan 0.000 0.535 590 S N -0.226 115.578 115.700 0.175 0.000 2.474 590 S HA -0.084 4.382 4.470 -0.007 0.000 0.235 590 S C 1.333 175.967 174.600 0.058 0.000 0.997 590 S CA 0.121 58.369 58.200 0.080 0.000 0.949 590 S CB -0.619 62.590 63.200 0.014 0.000 0.766 590 S HN 0.345 nan 8.310 nan 0.000 0.517 591 C N 2.594 121.937 119.300 0.072 0.000 2.255 591 C HA 0.537 4.993 4.460 -0.007 0.000 0.326 591 C C 1.083 176.098 174.990 0.041 0.000 1.258 591 C CA -0.891 58.151 59.018 0.041 0.000 1.676 591 C CB 0.047 27.803 27.740 0.027 0.000 2.314 591 C HN 0.522 nan 8.230 nan 0.000 0.509 592 K N 2.725 123.150 120.400 0.040 0.000 2.417 592 K HA 0.065 4.380 4.320 -0.007 0.000 0.196 592 K C 0.595 177.229 176.600 0.057 0.000 1.023 592 K CA 0.547 56.864 56.287 0.050 0.000 1.122 592 K CB 0.468 32.992 32.500 0.040 0.000 0.850 592 K HN 0.663 nan 8.250 nan 0.000 0.521 593 E N 0.096 120.334 120.200 0.064 0.000 2.498 593 E HA -0.007 4.339 4.350 -0.007 0.000 0.203 593 E C 0.006 176.713 176.600 0.179 0.000 1.013 593 E CA 0.237 56.710 56.400 0.121 0.000 0.927 593 E CB 0.986 30.761 29.700 0.125 0.000 1.012 593 E HN 0.202 nan 8.360 nan 0.000 0.482 594 T N -2.364 112.236 114.554 0.076 0.000 2.932 594 T HA 0.700 5.046 4.350 -0.007 0.000 0.289 594 T C -0.235 174.513 174.700 0.079 0.000 1.039 594 T CA -1.023 61.114 62.100 0.061 0.000 1.024 594 T CB 1.939 70.581 68.868 -0.376 0.000 1.090 594 T HN -0.125 nan 8.240 nan 0.000 0.496 595 S N 0.162 115.982 115.700 0.200 0.000 2.689 595 S HA 0.395 4.861 4.470 -0.007 0.000 0.274 595 S C 0.852 175.609 174.600 0.261 0.000 1.176 595 S CA -0.640 57.655 58.200 0.158 0.000 1.014 595 S CB 1.237 64.504 63.200 0.112 0.000 1.071 595 S HN 0.683 nan 8.310 nan 0.000 0.478 596 S N 3.093 118.907 115.700 0.189 0.000 2.383 596 S HA -0.100 4.365 4.470 -0.007 0.000 0.229 596 S C 1.872 176.519 174.600 0.078 0.000 1.030 596 S CA 1.650 59.964 58.200 0.190 0.000 1.002 596 S CB -0.217 63.029 63.200 0.075 0.000 0.829 596 S HN 0.656 nan 8.310 nan 0.000 0.467 597 V N 1.962 121.901 119.914 0.041 0.000 2.358 597 V HA -0.181 3.935 4.120 -0.007 0.000 0.246 597 V C 2.255 178.314 176.094 -0.058 0.000 1.047 597 V CA 1.620 63.910 62.300 -0.018 0.000 1.035 597 V CB -0.737 31.091 31.823 0.009 0.000 0.658 597 V HN 0.508 nan 8.190 nan 0.000 0.452 598 E N -0.309 119.882 120.200 -0.016 0.000 2.023 598 E HA -0.287 4.059 4.350 -0.007 0.000 0.196 598 E C 2.067 178.605 176.600 -0.103 0.000 1.003 598 E CA 1.956 58.328 56.400 -0.047 0.000 0.809 598 E CB -0.326 29.352 29.700 -0.036 0.000 0.755 598 E HN 0.624 nan 8.360 nan 0.000 0.449 599 F N 1.076 120.905 119.950 -0.201 0.000 2.206 599 F HA -0.079 4.445 4.527 -0.006 0.000 0.298 599 F C 2.269 177.818 175.800 -0.419 0.000 1.090 599 F CA 1.016 58.810 58.000 -0.342 0.000 1.323 599 F CB -0.009 38.676 39.000 -0.524 0.000 1.028 599 F HN -0.027 nan 8.300 nan 0.000 0.492 600 A N 0.289 122.837 122.820 -0.454 0.000 1.877 600 A HA -0.217 4.099 4.320 -0.007 0.000 0.216 600 A C 2.061 178.999 177.584 -1.077 0.000 1.186 600 A CA 1.935 53.508 52.037 -0.774 0.000 0.620 600 A CB -0.884 17.760 19.000 -0.592 0.000 0.822 600 A HN 0.525 nan 8.150 nan 0.000 0.443 601 E N -0.297 119.520 120.200 -0.640 0.000 2.118 601 E HA -0.141 4.205 4.350 -0.007 0.000 0.195 601 E C 2.236 178.589 176.600 -0.412 0.000 0.992 601 E CA 0.939 57.060 56.400 -0.465 0.000 0.804 601 E CB -0.293 29.284 29.700 -0.206 0.000 0.741 601 E HN 0.631 nan 8.360 nan 0.000 0.458 602 A N 0.849 123.392 122.820 -0.462 0.000 2.019 602 A HA -0.118 4.198 4.320 -0.007 0.000 0.219 602 A C 2.435 179.676 177.584 -0.572 0.000 1.164 602 A CA 0.938 52.702 52.037 -0.455 0.000 0.644 602 A CB -0.373 18.370 19.000 -0.428 0.000 0.805 602 A HN 0.101 nan 8.150 nan 0.000 0.449 603 V N -0.278 119.157 119.914 -0.800 0.000 2.323 603 V HA -0.131 3.985 4.120 -0.007 0.000 0.244 603 V C 2.839 178.558 176.094 -0.626 0.000 1.041 603 V CA 1.880 63.678 62.300 -0.838 0.000 1.025 603 V CB -1.415 29.692 31.823 -1.193 0.000 0.656 603 V HN 0.575 nan 8.190 nan 0.000 0.451 604 G N -0.281 108.206 108.800 -0.522 0.000 2.440 604 G HA2 -0.211 3.745 3.960 -0.007 0.000 0.218 604 G HA3 -0.211 3.745 3.960 -0.007 0.000 0.218 604 G C 1.680 176.519 174.900 -0.103 0.000 1.154 604 G CA 1.054 46.076 45.100 -0.130 0.000 0.767 604 G HN 0.613 nan 8.290 nan 0.000 0.552 605 A N 0.239 122.976 122.820 -0.139 0.000 2.067 605 A HA 0.215 4.531 4.320 -0.007 0.000 0.217 605 A C 2.624 180.159 177.584 -0.081 0.000 1.156 605 A CA 1.831 53.831 52.037 -0.062 0.000 0.683 605 A CB -0.255 18.692 19.000 -0.088 0.000 0.808 605 A HN 0.285 nan 8.150 nan 0.000 0.455 606 S N 0.001 115.602 115.700 -0.165 0.000 2.368 606 S HA -0.047 4.419 4.470 -0.007 0.000 0.224 606 S C 1.788 176.331 174.600 -0.096 0.000 1.029 606 S CA 1.240 59.351 58.200 -0.148 0.000 0.988 606 S CB -0.377 62.694 63.200 -0.215 0.000 0.838 606 S HN 0.545 nan 8.310 nan 0.000 0.462 607 L N 1.042 122.166 121.223 -0.165 0.000 2.083 607 L HA -0.082 4.254 4.340 -0.007 0.000 0.209 607 L C 2.308 179.345 176.870 0.277 0.000 1.083 607 L CA 0.761 55.578 54.840 -0.038 0.000 0.752 607 L CB -0.700 40.956 42.059 -0.672 0.000 0.899 607 L HN 0.190 nan 8.230 nan 0.000 0.433 608 V N -0.267 119.767 119.914 0.201 0.000 2.261 608 V HA -0.303 3.813 4.120 -0.007 0.000 0.246 608 V C 2.148 178.359 176.094 0.195 0.000 1.047 608 V CA 2.005 64.469 62.300 0.275 0.000 1.015 608 V CB -0.468 31.477 31.823 0.204 0.000 0.642 608 V HN 0.428 nan 8.190 nan 0.000 0.446 609 D N -0.605 119.866 120.400 0.120 0.000 2.117 609 D HA -0.122 4.514 4.640 -0.007 0.000 0.198 609 D C 2.180 178.561 176.300 0.134 0.000 0.982 609 D CA 1.427 55.481 54.000 0.091 0.000 0.828 609 D CB -0.168 40.653 40.800 0.035 0.000 0.967 609 D HN 0.350 nan 8.370 nan 0.000 0.464 610 M N -0.149 119.547 119.600 0.159 0.000 2.200 610 M HA -0.067 4.409 4.480 -0.007 0.000 0.265 610 M C 2.243 178.740 176.300 0.328 0.000 1.066 610 M CA 0.792 56.195 55.300 0.172 0.000 1.127 610 M CB 0.081 32.655 32.600 -0.042 0.000 1.379 610 M HN -0.143 nan 8.290 nan 0.000 0.420 611 R N 0.749 121.474 120.500 0.375 0.000 2.081 611 R HA -0.173 4.163 4.340 -0.007 0.000 0.235 611 R C 1.570 177.984 176.300 0.189 0.000 1.131 611 R CA 1.943 58.192 56.100 0.249 0.000 0.960 611 R CB -0.225 30.000 30.300 -0.125 0.000 0.856 611 R HN 0.289 nan 8.270 nan 0.000 0.436 612 D N 0.529 121.012 120.400 0.138 0.000 2.126 612 D HA -0.202 4.433 4.640 -0.007 0.000 0.190 612 D C 1.810 178.190 176.300 0.133 0.000 1.001 612 D CA 1.117 55.183 54.000 0.110 0.000 0.841 612 D CB -0.219 40.632 40.800 0.085 0.000 0.949 612 D HN 0.170 nan 8.370 nan 0.000 0.446 613 L N 0.809 122.125 121.223 0.154 0.000 2.187 613 L HA -0.152 4.184 4.340 -0.007 0.000 0.213 613 L C 2.419 179.388 176.870 0.166 0.000 1.100 613 L CA 0.885 55.815 54.840 0.151 0.000 0.765 613 L CB -0.868 41.287 42.059 0.161 0.000 0.904 613 L HN 0.154 nan 8.230 nan 0.000 0.437 614 C N -1.092 118.348 119.300 0.233 0.000 2.456 614 C HA 0.005 4.461 4.460 -0.007 0.000 0.279 614 C C 1.449 176.546 174.990 0.178 0.000 1.427 614 C CA 0.522 59.689 59.018 0.249 0.000 1.778 614 C CB -1.067 26.885 27.740 0.353 0.000 1.842 614 C HN 0.517 nan 8.230 nan 0.000 0.531 615 S N -0.067 115.729 115.700 0.160 0.000 2.062 615 S HA 0.416 4.882 4.470 -0.007 0.000 0.163 615 S C -0.314 174.339 174.600 0.089 0.000 1.612 615 S CA -0.181 58.090 58.200 0.118 0.000 1.251 615 S CB 0.748 64.032 63.200 0.139 0.000 1.174 615 S HN 0.344 nan 8.310 nan 0.000 0.428 616 S N 0.000 115.748 115.700 0.080 0.000 2.498 616 S HA 0.000 4.466 4.470 -0.007 0.000 0.327 616 S CA 0.000 58.237 58.200 0.062 0.000 1.107 616 S CB 0.000 63.237 63.200 0.062 0.000 0.593 616 S HN 0.000 nan 8.310 nan 0.000 0.517