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 2zwo_1_C DATA FIRST_RESID 4 DATA SEQUENCE NTIRVIVSVD KAKFNPHEVL GIGGHIVYQF KLIPAVVVDV PANAVGKLKK DATA SEQUENCE MPGVEKVEFD HQAVLLGKPS WXXXXXXQPA QTIPWGIERV KAPSVWSITD DATA SEQUENCE GSVSVIQVAV LDTGVDYDHP DLAANIAWcV STLRGKVSTK LRDcADQNGH DATA SEQUENCE GTHVIGTIAA LNNDIGVVGV APGVQIYSVR VLDARGSGSY SDIAIGIEQA DATA SEQUENCE ILGPDGVADK DGDGIIAGDP DDAAAEVISM SLGGPADDSY LYDMIIQAYN DATA SEQUENCE AGIVIVAASG NEGAPSPSYP AAYPEVIAVG AIDSNDNIAS FSNRQPEVSA DATA SEQUENCE PGVDILSTYP DDSYETLMGT AMATPHVSGV VALIQAAYYQ KYGKILPVGT DATA SEQUENCE FDDISKNTVR GILHITADDL GPTGWDADYG YGVVRAALAV QAALG 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.524 175.510 0.024 0.000 1.280 4 N CA 0.000 53.060 53.050 0.017 0.000 0.885 4 N CB 0.000 38.498 38.487 0.018 0.000 1.341 5 T N 0.701 115.274 114.554 0.032 0.000 2.855 5 T HA 0.735 5.084 4.350 -0.000 0.000 0.281 5 T C -0.757 173.970 174.700 0.045 0.000 1.007 5 T CA -0.495 61.631 62.100 0.043 0.000 1.009 5 T CB 0.418 69.325 68.868 0.065 0.000 0.983 5 T HN 0.317 nan 8.240 nan 0.000 0.455 6 I N 1.157 121.759 120.570 0.053 0.000 2.530 6 I HA 0.707 4.876 4.170 -0.000 0.000 0.297 6 I C -0.186 175.973 176.117 0.070 0.000 1.011 6 I CA -1.223 60.118 61.300 0.068 0.000 1.107 6 I CB 1.673 39.735 38.000 0.104 0.000 1.285 6 I HN 0.407 nan 8.210 nan 0.000 0.436 7 R N 3.823 124.362 120.500 0.066 0.000 2.265 7 R HA 0.804 5.144 4.340 -0.000 0.000 0.314 7 R C -1.505 174.819 176.300 0.039 0.000 1.053 7 R CA -0.415 55.714 56.100 0.048 0.000 0.931 7 R CB 1.182 31.505 30.300 0.038 0.000 1.024 7 R HN 0.725 nan 8.270 nan 0.000 0.457 8 V N 5.800 125.706 119.914 -0.014 0.000 3.049 8 V HA 0.470 4.590 4.120 -0.000 0.000 0.309 8 V C -1.269 174.730 176.094 -0.159 0.000 1.148 8 V CA -0.900 61.342 62.300 -0.096 0.000 0.990 8 V CB 2.425 34.178 31.823 -0.117 0.000 1.039 8 V HN 0.623 nan 8.190 nan 0.000 0.430 9 I N 3.950 124.362 120.570 -0.263 0.000 2.406 9 I HA 0.544 4.714 4.170 -0.000 0.000 0.290 9 I C -0.242 175.718 176.117 -0.263 0.000 0.999 9 I CA -0.456 60.642 61.300 -0.336 0.000 1.124 9 I CB 1.736 39.222 38.000 -0.856 0.000 1.289 9 I HN 0.211 nan 8.210 nan 0.000 0.441 10 V N 4.930 124.721 119.914 -0.204 0.000 2.435 10 V HA 0.447 4.567 4.120 -0.000 0.000 0.290 10 V C -0.109 175.872 176.094 -0.187 0.000 1.030 10 V CA -0.333 61.840 62.300 -0.211 0.000 0.881 10 V CB 2.044 33.708 31.823 -0.264 0.000 0.983 10 V HN 0.801 nan 8.190 nan 0.000 0.445 11 S N 4.442 120.055 115.700 -0.146 0.000 2.438 11 S HA 0.553 5.022 4.470 -0.000 0.000 0.293 11 S C -0.308 174.198 174.600 -0.157 0.000 1.141 11 S CA -0.499 57.634 58.200 -0.113 0.000 1.080 11 S CB 1.221 64.391 63.200 -0.050 0.000 0.978 11 S HN 0.755 nan 8.310 nan 0.000 0.479 12 V N 0.537 120.349 119.914 -0.170 0.000 2.667 12 V HA 0.571 4.691 4.120 -0.000 0.000 0.308 12 V C -0.241 175.821 176.094 -0.053 0.000 1.048 12 V CA -1.166 61.025 62.300 -0.183 0.000 0.928 12 V CB 1.690 33.282 31.823 -0.384 0.000 1.004 12 V HN 0.605 nan 8.190 nan 0.000 0.444 13 D N 2.211 122.607 120.400 -0.005 0.000 2.363 13 D HA 0.126 4.765 4.640 -0.000 0.000 0.263 13 D C 0.693 177.046 176.300 0.088 0.000 1.258 13 D CA 0.292 54.315 54.000 0.039 0.000 0.907 13 D CB 1.493 42.322 40.800 0.049 0.000 1.107 13 D HN 0.770 nan 8.370 nan 0.000 0.495 14 K N 2.757 123.201 120.400 0.073 0.000 2.432 14 K HA 0.080 4.400 4.320 -0.000 0.000 0.196 14 K C 1.439 178.103 176.600 0.106 0.000 1.038 14 K CA 0.708 57.059 56.287 0.106 0.000 0.986 14 K CB 0.236 32.780 32.500 0.074 0.000 0.782 14 K HN 0.399 nan 8.250 nan 0.000 0.485 15 A N 0.244 123.111 122.820 0.078 0.000 1.871 15 A HA -0.007 4.313 4.320 -0.000 0.000 0.211 15 A C 1.859 179.480 177.584 0.062 0.000 1.207 15 A CA 1.023 53.093 52.037 0.056 0.000 0.620 15 A CB -0.223 18.798 19.000 0.036 0.000 0.860 15 A HN 0.201 nan 8.150 nan 0.000 0.450 16 K N -1.700 118.749 120.400 0.081 0.000 2.432 16 K HA 0.054 4.374 4.320 -0.000 0.000 0.196 16 K C -0.347 176.328 176.600 0.125 0.000 1.038 16 K CA -0.049 56.288 56.287 0.083 0.000 0.986 16 K CB -0.113 32.432 32.500 0.076 0.000 0.782 16 K HN 0.361 nan 8.250 nan 0.000 0.485 17 F N 1.617 121.569 119.950 0.004 0.000 2.411 17 F HA 0.273 4.800 4.527 -0.000 0.000 0.355 17 F C -0.455 175.350 175.800 0.009 0.000 1.117 17 F CA -1.266 56.738 58.000 0.007 0.000 1.139 17 F CB 0.587 39.593 39.000 0.010 0.000 1.120 17 F HN -0.185 nan 8.300 nan 0.000 0.493 18 N N 8.415 126.734 118.700 -0.634 0.000 2.527 18 N HA 0.368 5.108 4.740 -0.000 0.000 0.236 18 N C -2.233 172.787 175.510 -0.817 0.000 0.999 18 N CA -2.582 50.124 53.050 -0.573 0.000 0.935 18 N CB 1.414 39.754 38.487 -0.244 0.000 1.132 18 N HN 0.277 nan 8.380 nan 0.000 0.511 19 P HA -0.113 nan 4.420 nan 0.000 0.220 19 P C 1.145 178.355 177.300 -0.151 0.000 1.148 19 P CA 0.959 63.791 63.100 -0.447 0.000 0.803 19 P CB 0.110 31.719 31.700 -0.152 0.000 0.782 20 H N 0.038 118.979 119.070 -0.216 0.000 2.357 20 H HA -0.192 4.364 4.556 -0.000 0.000 0.296 20 H C 1.941 177.195 175.328 -0.123 0.000 1.108 20 H CA 1.511 57.480 56.048 -0.132 0.000 1.273 20 H CB 0.065 29.756 29.762 -0.119 0.000 1.367 20 H HN 0.196 nan 8.280 nan 0.000 0.498 21 E N 0.147 120.314 120.200 -0.055 0.000 2.153 21 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 21 E C 2.343 178.911 176.600 -0.054 0.000 0.988 21 E CA 1.021 57.382 56.400 -0.064 0.000 0.811 21 E CB 0.078 29.739 29.700 -0.065 0.000 0.746 21 E HN 0.369 nan 8.360 nan 0.000 0.466 22 V N -0.104 119.784 119.914 -0.044 0.000 2.667 22 V HA -0.163 3.957 4.120 -0.000 0.000 0.252 22 V C 1.988 178.044 176.094 -0.064 0.000 1.065 22 V CA 0.923 63.217 62.300 -0.010 0.000 1.083 22 V CB -0.192 31.677 31.823 0.077 0.000 0.692 22 V HN 0.154 nan 8.190 nan 0.000 0.468 23 L N 2.020 123.192 121.223 -0.085 0.000 2.017 23 L HA 0.103 4.442 4.340 -0.000 0.000 0.208 23 L C 2.753 179.539 176.870 -0.141 0.000 1.073 23 L CA 2.322 57.092 54.840 -0.116 0.000 0.745 23 L CB -1.767 40.210 42.059 -0.136 0.000 0.894 23 L HN 0.428 nan 8.230 nan 0.000 0.432 24 G N 0.152 108.861 108.800 -0.153 0.000 2.446 24 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.217 24 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.217 24 G C 1.477 176.323 174.900 -0.091 0.000 1.168 24 G CA 1.025 46.048 45.100 -0.130 0.000 0.771 24 G HN 0.589 nan 8.290 nan 0.000 0.551 25 I N -1.724 118.799 120.570 -0.079 0.000 3.241 25 I HA 0.311 4.481 4.170 -0.000 0.000 0.280 25 I C 1.575 177.643 176.117 -0.082 0.000 1.320 25 I CA 0.892 62.154 61.300 -0.063 0.000 1.413 25 I CB -0.298 37.677 38.000 -0.043 0.000 1.060 25 I HN 0.318 nan 8.210 nan 0.000 0.500 26 G N 0.690 109.419 108.800 -0.118 0.000 2.159 26 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.227 26 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.227 26 G C 0.540 175.241 174.900 -0.331 0.000 0.986 26 G CA -0.206 44.796 45.100 -0.163 0.000 0.651 26 G HN 0.877 nan 8.290 nan 0.000 0.523 27 G N -0.787 107.839 108.800 -0.289 0.000 2.616 27 G HA2 0.548 4.508 3.960 -0.000 0.000 0.268 27 G HA3 0.548 4.508 3.960 -0.000 0.000 0.268 27 G C -0.451 174.097 174.900 -0.587 0.000 1.213 27 G CA -0.334 44.554 45.100 -0.354 0.000 0.926 27 G HN 0.440 nan 8.290 nan 0.000 0.523 28 H N -0.447 118.633 119.070 0.016 0.000 2.600 28 H HA 0.262 4.818 4.556 -0.000 0.000 0.357 28 H C -0.306 175.040 175.328 0.030 0.000 1.106 28 H CA -0.751 55.306 56.048 0.015 0.000 1.193 28 H CB 1.864 31.633 29.762 0.011 0.000 1.594 28 H HN 0.175 nan 8.280 nan 0.000 0.526 29 I N 3.696 124.354 120.570 0.146 0.000 2.329 29 I HA -0.050 4.120 4.170 -0.000 0.000 0.295 29 I C 1.421 177.591 176.117 0.087 0.000 1.109 29 I CA 0.057 61.421 61.300 0.107 0.000 1.297 29 I CB 0.755 38.811 38.000 0.092 0.000 1.433 29 I HN 0.380 nan 8.210 nan 0.000 0.509 30 V N 7.259 127.224 119.914 0.084 0.000 2.446 30 V HA -0.101 4.019 4.120 -0.000 0.000 0.244 30 V C 0.110 176.264 176.094 0.099 0.000 1.039 30 V CA 1.087 63.432 62.300 0.075 0.000 1.045 30 V CB -0.362 31.499 31.823 0.063 0.000 0.681 30 V HN 0.729 nan 8.190 nan 0.000 0.459 31 Y N 0.341 120.578 120.300 -0.105 0.000 2.314 31 Y HA 0.402 4.952 4.550 -0.000 0.000 0.317 31 Y C -1.125 174.625 175.900 -0.250 0.000 1.234 31 Y CA -1.099 56.877 58.100 -0.208 0.000 1.111 31 Y CB 1.114 39.378 38.460 -0.326 0.000 1.283 31 Y HN 0.211 nan 8.280 nan 0.000 0.418 32 Q N 6.149 125.601 119.800 -0.579 0.000 2.347 32 Q HA 0.398 4.738 4.340 -0.000 0.000 0.262 32 Q C -1.224 174.530 176.000 -0.410 0.000 0.980 32 Q CA -0.830 54.784 55.803 -0.314 0.000 0.867 32 Q CB 1.877 30.529 28.738 -0.145 0.000 1.242 32 Q HN 0.509 nan 8.270 nan 0.000 0.453 33 F N 1.862 121.833 119.950 0.034 0.000 2.518 33 F HA 0.025 4.552 4.527 -0.000 0.000 0.359 33 F C 1.371 177.199 175.800 0.047 0.000 1.118 33 F CA 0.282 58.387 58.000 0.175 0.000 1.287 33 F CB 0.739 39.871 39.000 0.220 0.000 1.132 33 F HN 0.489 nan 8.300 nan 0.000 0.587 34 K N 2.009 122.568 120.400 0.264 0.000 2.211 34 K HA 0.095 4.415 4.320 -0.000 0.000 0.201 34 K C 1.312 178.006 176.600 0.157 0.000 1.052 34 K CA 0.929 57.307 56.287 0.151 0.000 0.973 34 K CB 0.045 32.606 32.500 0.101 0.000 0.766 34 K HN 0.535 nan 8.250 nan 0.000 0.466 35 L N 1.346 122.693 121.223 0.206 0.000 2.529 35 L HA 0.295 4.635 4.340 -0.000 0.000 0.223 35 L C 0.764 177.675 176.870 0.068 0.000 1.113 35 L CA -0.149 54.763 54.840 0.120 0.000 0.861 35 L CB -0.275 41.851 42.059 0.111 0.000 1.012 35 L HN 0.178 nan 8.230 nan 0.000 0.461 36 I N -4.278 116.341 120.570 0.082 0.000 2.802 36 I HA 0.438 4.608 4.170 -0.000 0.000 0.298 36 I C -2.723 173.421 176.117 0.046 0.000 1.176 36 I CA -2.260 59.035 61.300 -0.009 0.000 1.025 36 I CB 2.271 40.177 38.000 -0.157 0.000 1.243 36 I HN -0.258 nan 8.210 nan 0.000 0.424 37 P HA 0.345 nan 4.420 nan 0.000 0.237 37 P C -0.623 176.685 177.300 0.013 0.000 1.788 37 P CA 0.281 63.399 63.100 0.030 0.000 1.061 37 P CB 0.042 31.746 31.700 0.006 0.000 1.967 38 A N 1.731 124.609 122.820 0.097 0.000 2.587 38 A HA 0.721 5.041 4.320 -0.000 0.000 0.293 38 A C -1.355 176.410 177.584 0.302 0.000 1.087 38 A CA -0.773 51.324 52.037 0.100 0.000 0.692 38 A CB 2.314 21.320 19.000 0.010 0.000 1.291 38 A HN 0.240 nan 8.150 nan 0.000 0.407 39 V N 1.358 121.352 119.914 0.132 0.000 2.711 39 V HA 0.605 4.724 4.120 -0.000 0.000 0.304 39 V C -1.156 174.965 176.094 0.045 0.000 1.097 39 V CA -0.511 61.859 62.300 0.116 0.000 0.906 39 V CB 1.640 33.501 31.823 0.064 0.000 1.015 39 V HN 1.010 nan 8.190 nan 0.000 0.427 40 V N 7.431 127.379 119.914 0.056 0.000 2.470 40 V HA 0.457 4.577 4.120 -0.000 0.000 0.276 40 V C 0.421 176.529 176.094 0.024 0.000 1.040 40 V CA 0.531 62.834 62.300 0.004 0.000 1.008 40 V CB 0.967 32.785 31.823 -0.008 0.000 0.990 40 V HN 1.128 nan 8.190 nan 0.000 0.477 41 V N 1.782 121.702 119.914 0.010 0.000 2.914 41 V HA 0.726 4.846 4.120 -0.000 0.000 0.314 41 V C -0.818 175.302 176.094 0.043 0.000 1.084 41 V CA -0.867 61.459 62.300 0.044 0.000 0.963 41 V CB 2.448 34.303 31.823 0.053 0.000 1.025 41 V HN 0.652 nan 8.190 nan 0.000 0.432 42 D N 2.647 123.092 120.400 0.074 0.000 2.193 42 D HA 0.655 5.295 4.640 -0.000 0.000 0.244 42 D C -0.251 176.057 176.300 0.013 0.000 1.064 42 D CA 0.096 54.140 54.000 0.073 0.000 0.845 42 D CB 2.034 42.928 40.800 0.158 0.000 1.148 42 D HN 0.929 nan 8.370 nan 0.000 0.464 43 V N -0.530 119.390 119.914 0.009 0.000 2.962 43 V HA 0.615 4.735 4.120 -0.000 0.000 0.313 43 V C -2.747 173.346 176.094 -0.002 0.000 1.099 43 V CA -2.532 59.756 62.300 -0.019 0.000 0.971 43 V CB 1.944 33.767 31.823 -0.000 0.000 1.028 43 V HN 0.257 nan 8.190 nan 0.000 0.430 44 P HA 0.026 nan 4.420 nan 0.000 0.263 44 P C 0.937 178.249 177.300 0.021 0.000 1.175 44 P CA 0.944 64.045 63.100 0.001 0.000 0.761 44 P CB 0.756 32.450 31.700 -0.009 0.000 0.794 45 A N 4.702 127.538 122.820 0.028 0.000 1.927 45 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 45 A C 1.532 179.143 177.584 0.045 0.000 1.185 45 A CA 1.774 53.834 52.037 0.039 0.000 0.639 45 A CB -0.860 18.155 19.000 0.024 0.000 0.820 45 A HN 0.596 nan 8.150 nan 0.000 0.451 46 N N -0.619 118.099 118.700 0.030 0.000 2.268 46 N HA 0.286 5.026 4.740 -0.000 0.000 0.204 46 N C 0.769 176.296 175.510 0.028 0.000 1.124 46 N CA 0.795 53.862 53.050 0.029 0.000 0.838 46 N CB 0.465 38.963 38.487 0.018 0.000 0.994 46 N HN 0.484 nan 8.380 nan 0.000 0.489 47 A N -0.193 122.644 122.820 0.029 0.000 2.430 47 A HA 0.196 4.516 4.320 -0.000 0.000 0.243 47 A C 1.942 179.545 177.584 0.032 0.000 1.254 47 A CA -0.178 51.872 52.037 0.022 0.000 0.914 47 A CB 0.064 19.068 19.000 0.006 0.000 0.998 47 A HN 0.013 nan 8.150 nan 0.000 0.515 48 V N 0.146 120.092 119.914 0.053 0.000 2.324 48 V HA -0.272 3.848 4.120 -0.000 0.000 0.250 48 V C 2.733 178.852 176.094 0.042 0.000 1.060 48 V CA 2.488 64.825 62.300 0.062 0.000 1.042 48 V CB -0.852 31.056 31.823 0.143 0.000 0.650 48 V HN 0.605 nan 8.190 nan 0.000 0.450 49 G N -1.283 107.544 108.800 0.045 0.000 2.403 49 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.216 49 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.216 49 G C 1.658 176.573 174.900 0.025 0.000 1.154 49 G CA 0.422 45.542 45.100 0.034 0.000 0.784 49 G HN 0.359 nan 8.290 nan 0.000 0.538 50 K N -0.031 120.384 120.400 0.024 0.000 2.044 50 K HA -0.037 4.283 4.320 -0.000 0.000 0.210 50 K C 2.377 178.993 176.600 0.028 0.000 1.049 50 K CA 0.856 57.156 56.287 0.022 0.000 0.927 50 K CB -0.542 31.967 32.500 0.016 0.000 0.713 50 K HN 0.322 nan 8.250 nan 0.000 0.443 51 L N 1.261 122.500 121.223 0.027 0.000 1.994 51 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 51 L C 2.644 179.529 176.870 0.026 0.000 1.071 51 L CA 1.483 56.343 54.840 0.033 0.000 0.745 51 L CB -0.350 41.718 42.059 0.015 0.000 0.892 51 L HN 0.205 nan 8.230 nan 0.000 0.431 52 K N 0.191 120.593 120.400 0.003 0.000 2.218 52 K HA -0.244 4.076 4.320 -0.000 0.000 0.205 52 K C 1.754 178.361 176.600 0.011 0.000 1.046 52 K CA 1.563 57.844 56.287 -0.010 0.000 0.933 52 K CB 0.099 32.592 32.500 -0.011 0.000 0.728 52 K HN 0.331 nan 8.250 nan 0.000 0.454 53 K N -0.408 120.007 120.400 0.025 0.000 2.354 53 K HA 0.173 4.493 4.320 -0.000 0.000 0.194 53 K C 0.379 177.006 176.600 0.045 0.000 1.038 53 K CA -0.261 56.044 56.287 0.030 0.000 1.052 53 K CB 0.267 32.782 32.500 0.025 0.000 0.861 53 K HN 0.082 nan 8.250 nan 0.000 0.535 54 M N 3.103 122.743 119.600 0.065 0.000 2.235 54 M HA -0.030 4.450 4.480 -0.000 0.000 0.336 54 M C -2.109 174.258 176.300 0.112 0.000 1.146 54 M CA -0.923 54.434 55.300 0.095 0.000 1.018 54 M CB -0.166 32.526 32.600 0.152 0.000 1.694 54 M HN -0.115 nan 8.290 nan 0.000 0.451 55 P HA 0.045 nan 4.420 nan 0.000 0.268 55 P C 0.649 178.052 177.300 0.172 0.000 1.205 55 P CA 0.515 63.672 63.100 0.094 0.000 0.771 55 P CB 0.683 32.417 31.700 0.057 0.000 0.858 56 G N 1.229 110.112 108.800 0.138 0.000 2.179 56 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.260 56 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.260 56 G C -0.099 174.859 174.900 0.096 0.000 0.977 56 G CA -0.116 45.083 45.100 0.165 0.000 0.641 56 G HN 0.537 nan 8.290 nan 0.000 0.533 57 V N 0.793 120.747 119.914 0.067 0.000 2.348 57 V HA 0.403 4.523 4.120 -0.000 0.000 0.270 57 V C 1.050 177.122 176.094 -0.037 0.000 1.037 57 V CA 0.244 62.518 62.300 -0.044 0.000 0.872 57 V CB 1.363 33.178 31.823 -0.014 0.000 1.002 57 V HN 0.449 nan 8.190 nan 0.000 0.464 58 E N 3.223 123.384 120.200 -0.064 0.000 2.431 58 E HA 0.189 4.539 4.350 -0.000 0.000 0.200 58 E C 0.442 177.017 176.600 -0.042 0.000 0.995 58 E CA 0.114 56.490 56.400 -0.039 0.000 0.915 58 E CB 0.772 30.450 29.700 -0.036 0.000 0.930 58 E HN 0.597 nan 8.360 nan 0.000 0.496 59 K N 0.317 120.678 120.400 -0.066 0.000 2.583 59 K HA 0.247 4.566 4.320 -0.000 0.000 0.260 59 K C -2.016 174.521 176.600 -0.105 0.000 0.931 59 K CA -0.380 55.869 56.287 -0.062 0.000 0.849 59 K CB 1.870 34.351 32.500 -0.033 0.000 1.347 59 K HN -0.175 nan 8.250 nan 0.000 0.425 60 V N 3.427 123.258 119.914 -0.139 0.000 2.448 60 V HA 0.434 4.554 4.120 -0.000 0.000 0.295 60 V C -0.684 175.213 176.094 -0.328 0.000 1.025 60 V CA -0.610 61.549 62.300 -0.235 0.000 0.859 60 V CB 1.561 33.230 31.823 -0.258 0.000 0.988 60 V HN 0.766 nan 8.190 nan 0.000 0.431 61 E N 3.492 123.507 120.200 -0.309 0.000 2.199 61 E HA 0.529 4.879 4.350 -0.000 0.000 0.269 61 E C -1.283 175.084 176.600 -0.389 0.000 0.899 61 E CA -0.581 55.678 56.400 -0.235 0.000 0.772 61 E CB 2.343 32.115 29.700 0.120 0.000 1.155 61 E HN 0.500 nan 8.360 nan 0.000 0.408 62 F N 1.035 120.946 119.950 -0.064 0.000 2.382 62 F HA 0.078 4.605 4.527 -0.000 0.000 0.331 62 F C 1.039 176.565 175.800 -0.457 0.000 1.121 62 F CA -0.338 57.521 58.000 -0.236 0.000 1.183 62 F CB 0.600 39.461 39.000 -0.232 0.000 1.207 62 F HN 0.291 nan 8.300 nan 0.000 0.555 63 D N 1.976 122.287 120.400 -0.149 0.000 2.339 63 D HA 0.092 4.732 4.640 -0.000 0.000 0.241 63 D C -0.172 175.970 176.300 -0.264 0.000 1.183 63 D CA -0.015 53.914 54.000 -0.117 0.000 0.859 63 D CB 0.054 40.856 40.800 0.005 0.000 1.067 63 D HN 0.344 nan 8.370 nan 0.000 0.484 64 H N 1.400 120.431 119.070 -0.066 0.000 2.523 64 H HA 0.301 4.857 4.556 0.000 0.000 0.345 64 H C 0.011 175.217 175.328 -0.204 0.000 1.261 64 H CA -0.487 55.359 56.048 -0.336 0.000 1.343 64 H CB 1.097 30.363 29.762 -0.826 0.000 1.650 64 H HN 0.408 nan 8.280 nan 0.000 0.591 65 Q N 0.549 120.361 119.800 0.020 0.000 2.312 65 Q HA 0.643 4.983 4.340 -0.000 0.000 0.263 65 Q C -1.684 174.500 176.000 0.307 0.000 0.995 65 Q CA -1.036 54.869 55.803 0.169 0.000 0.853 65 Q CB 1.621 30.420 28.738 0.102 0.000 1.300 65 Q HN 0.684 nan 8.270 nan 0.000 0.448 66 A N 2.776 125.796 122.820 0.335 0.000 2.380 66 A HA 0.790 5.110 4.320 -0.000 0.000 0.315 66 A C -0.778 176.882 177.584 0.126 0.000 1.101 66 A CA -0.482 51.715 52.037 0.267 0.000 0.771 66 A CB 1.640 20.769 19.000 0.215 0.000 1.287 66 A HN 0.832 nan 8.150 nan 0.000 0.436 67 V N 0.063 120.022 119.914 0.075 0.000 2.960 67 V HA 0.769 4.889 4.120 -0.000 0.000 0.315 67 V C 0.216 176.287 176.094 -0.037 0.000 1.087 67 V CA -0.999 61.309 62.300 0.012 0.000 0.982 67 V CB 1.171 32.996 31.823 0.003 0.000 1.039 67 V HN 1.313 nan 8.190 nan 0.000 0.437 68 L N 1.299 122.443 121.223 -0.132 0.000 2.499 68 L HA 0.381 4.720 4.340 -0.000 0.000 0.281 68 L C -0.061 176.703 176.870 -0.176 0.000 1.234 68 L CA 0.063 54.724 54.840 -0.299 0.000 0.839 68 L CB 0.248 41.901 42.059 -0.676 0.000 1.104 68 L HN 0.733 nan 8.230 nan 0.000 0.500 69 L N 2.846 124.023 121.223 -0.076 0.000 3.122 69 L HA 0.419 4.759 4.340 -0.000 0.000 0.274 69 L C 0.682 177.620 176.870 0.113 0.000 1.222 69 L CA -0.140 54.718 54.840 0.031 0.000 1.028 69 L CB 0.584 42.687 42.059 0.073 0.000 1.386 69 L HN 0.901 nan 8.230 nan 0.000 0.578 70 G N 0.172 109.129 108.800 0.262 0.000 2.415 70 G HA2 0.589 4.549 3.960 -0.000 0.000 0.327 70 G HA3 0.589 4.549 3.960 -0.000 0.000 0.327 70 G C -0.820 174.135 174.900 0.092 0.000 1.182 70 G CA -0.262 44.991 45.100 0.254 0.000 0.924 70 G HN -0.218 nan 8.290 nan 0.000 0.470 71 K N 1.761 122.145 120.400 -0.028 0.000 2.375 71 K HA 0.480 4.800 4.320 -0.000 0.000 0.249 71 K C -2.668 173.891 176.600 -0.068 0.000 0.942 71 K CA -2.203 54.058 56.287 -0.044 0.000 0.806 71 K CB 2.410 34.853 32.500 -0.094 0.000 1.227 71 K HN 0.190 nan 8.250 nan 0.000 0.430 72 P HA -0.006 nan 4.420 nan 0.000 0.266 72 P C 0.458 177.715 177.300 -0.072 0.000 1.186 72 P CA 0.509 63.580 63.100 -0.047 0.000 0.767 72 P CB 0.608 32.310 31.700 0.004 0.000 0.820 73 S N 1.866 117.509 115.700 -0.096 0.000 2.395 73 S HA 0.003 4.473 4.470 -0.000 0.000 0.225 73 S C 0.230 174.650 174.600 -0.300 0.000 1.027 73 S CA 0.345 58.422 58.200 -0.205 0.000 0.965 73 S CB -0.748 62.389 63.200 -0.106 0.000 0.812 73 S HN 0.718 nan 8.310 nan 0.000 0.482 82 P HA 0.306 nan 4.420 nan 0.000 0.293 82 P C -0.517 176.776 177.300 -0.011 0.000 1.313 82 P CA -0.054 63.042 63.100 -0.006 0.000 0.787 82 P CB 1.467 33.169 31.700 0.003 0.000 0.910 83 A N 3.534 126.344 122.820 -0.017 0.000 1.861 83 A HA -0.058 4.262 4.320 -0.000 0.000 0.212 83 A C 1.234 178.773 177.584 -0.075 0.000 1.199 83 A CA 0.597 52.608 52.037 -0.043 0.000 0.613 83 A CB -0.711 18.272 19.000 -0.028 0.000 0.846 83 A HN 0.657 nan 8.150 nan 0.000 0.446 84 Q N 1.014 120.784 119.800 -0.050 0.000 2.297 84 Q HA 0.328 4.668 4.340 -0.000 0.000 0.267 84 Q C -1.132 174.846 176.000 -0.037 0.000 1.006 84 Q CA 0.235 56.004 55.803 -0.057 0.000 0.896 84 Q CB 0.387 29.109 28.738 -0.027 0.000 1.186 84 Q HN 0.398 nan 8.270 nan 0.000 0.392 85 T N 4.724 119.245 114.554 -0.054 0.000 2.887 85 T HA 0.516 4.866 4.350 -0.000 0.000 0.288 85 T C -0.275 174.431 174.700 0.011 0.000 1.021 85 T CA -0.616 61.471 62.100 -0.022 0.000 1.000 85 T CB 0.873 69.710 68.868 -0.051 0.000 1.034 85 T HN 0.548 nan 8.240 nan 0.000 0.467 86 I N 3.502 124.101 120.570 0.049 0.000 2.371 86 I HA 0.280 4.450 4.170 -0.000 0.000 0.282 86 I C -2.245 173.922 176.117 0.082 0.000 1.031 86 I CA -2.231 59.117 61.300 0.080 0.000 1.180 86 I CB 1.188 39.250 38.000 0.104 0.000 1.336 86 I HN 0.317 nan 8.210 nan 0.000 0.467 87 P HA -0.090 nan 4.420 nan 0.000 0.266 87 P C 1.016 178.356 177.300 0.067 0.000 1.195 87 P CA -0.224 62.918 63.100 0.070 0.000 0.768 87 P CB 0.366 32.066 31.700 0.000 0.000 0.838 88 W N 2.895 124.228 121.300 0.054 0.000 2.325 88 W HA -0.180 4.480 4.660 -0.000 0.000 0.299 88 W C 1.273 177.816 176.519 0.041 0.000 1.215 88 W CA 1.490 58.855 57.345 0.035 0.000 1.244 88 W CB -2.057 27.414 29.460 0.019 0.000 1.140 88 W HN 0.414 nan 8.180 nan 0.000 0.523 89 G N 2.499 110.724 108.800 -0.958 0.000 2.446 89 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 89 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 89 G C 1.507 176.268 174.900 -0.231 0.000 1.168 89 G CA 1.970 46.483 45.100 -0.978 0.000 0.771 89 G HN 0.184 nan 8.290 nan 0.000 0.551 90 I N 1.240 121.794 120.570 -0.027 0.000 2.248 90 I HA -0.137 4.033 4.170 -0.000 0.000 0.248 90 I C 2.499 178.605 176.117 -0.018 0.000 1.107 90 I CA 1.161 62.485 61.300 0.040 0.000 1.373 90 I CB -0.933 37.117 38.000 0.082 0.000 1.055 90 I HN 0.226 nan 8.210 nan 0.000 0.418 91 E N 0.427 120.621 120.200 -0.011 0.000 2.112 91 E HA -0.172 4.177 4.350 -0.000 0.000 0.190 91 E C 2.217 178.820 176.600 0.005 0.000 0.979 91 E CA 0.510 56.904 56.400 -0.010 0.000 0.814 91 E CB -0.246 29.482 29.700 0.048 0.000 0.762 91 E HN 0.281 nan 8.360 nan 0.000 0.460 92 R N 1.015 121.531 120.500 0.025 0.000 2.152 92 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 92 R C 1.756 178.053 176.300 -0.005 0.000 1.117 92 R CA 0.658 56.789 56.100 0.052 0.000 0.981 92 R CB -0.513 29.822 30.300 0.058 0.000 0.870 92 R HN 0.013 nan 8.270 nan 0.000 0.451 93 V N 1.386 121.282 119.914 -0.029 0.000 3.514 93 V HA 0.129 4.249 4.120 -0.000 0.000 0.301 93 V C -0.460 175.616 176.094 -0.030 0.000 1.346 93 V CA -0.074 62.219 62.300 -0.012 0.000 1.156 93 V CB -0.491 31.354 31.823 0.037 0.000 1.029 93 V HN 0.394 nan 8.190 nan 0.000 0.428 94 K N -0.323 120.041 120.400 -0.060 0.000 3.257 94 K HA -0.242 4.078 4.320 -0.000 0.000 0.270 94 K C 0.808 177.305 176.600 -0.172 0.000 0.984 94 K CA 0.850 57.075 56.287 -0.104 0.000 0.739 94 K CB -2.177 30.281 32.500 -0.070 0.000 1.351 94 K HN 0.587 nan 8.250 nan 0.000 0.463 95 A N -0.231 122.444 122.820 -0.241 0.000 1.901 95 A HA 0.123 4.443 4.320 -0.000 0.000 0.210 95 A C -0.626 176.345 177.584 -1.022 0.000 1.208 95 A CA 0.407 52.223 52.037 -0.369 0.000 0.644 95 A CB -0.377 18.555 19.000 -0.113 0.000 0.863 95 A HN 0.269 nan 8.150 nan 0.000 0.454 96 P HA -0.201 nan 4.420 nan 0.000 0.216 96 P C 1.788 178.583 177.300 -0.842 0.000 1.154 96 P CA 2.270 64.421 63.100 -1.581 0.000 0.865 96 P CB -0.129 31.103 31.700 -0.780 0.000 0.789 97 S N -1.699 113.715 115.700 -0.476 0.000 2.469 97 S HA -0.091 4.379 4.470 -0.000 0.000 0.238 97 S C 1.836 176.315 174.600 -0.202 0.000 0.998 97 S CA 1.011 59.058 58.200 -0.254 0.000 0.957 97 S CB -1.510 61.595 63.200 -0.159 0.000 0.764 97 S HN -0.028 nan 8.310 nan 0.000 0.514 98 V N -0.092 119.645 119.914 -0.295 0.000 2.719 98 V HA 0.010 4.130 4.120 -0.000 0.000 0.252 98 V C 2.086 178.224 176.094 0.072 0.000 1.065 98 V CA 0.817 63.057 62.300 -0.100 0.000 1.086 98 V CB -0.818 30.975 31.823 -0.051 0.000 0.700 98 V HN 0.606 nan 8.190 nan 0.000 0.467 99 W N 0.781 122.083 121.300 0.003 0.000 2.425 99 W HA -0.097 4.562 4.660 -0.000 0.000 0.277 99 W C 2.860 179.380 176.519 0.001 0.000 1.231 99 W CA 1.219 58.565 57.345 0.002 0.000 1.248 99 W CB -1.440 28.020 29.460 -0.000 0.000 1.117 99 W HN 0.516 nan 8.180 nan 0.000 0.568 100 S N 0.452 116.280 115.700 0.213 0.000 2.370 100 S HA -0.234 4.236 4.470 -0.000 0.000 0.226 100 S C 1.805 176.459 174.600 0.090 0.000 1.033 100 S CA 1.614 59.884 58.200 0.118 0.000 1.011 100 S CB -0.947 62.296 63.200 0.072 0.000 0.852 100 S HN 0.237 nan 8.310 nan 0.000 0.457 101 I N 0.851 121.473 120.570 0.086 0.000 2.110 101 I HA 0.001 4.171 4.170 -0.000 0.000 0.236 101 I C 1.513 177.678 176.117 0.081 0.000 1.068 101 I CA 1.331 62.670 61.300 0.065 0.000 1.333 101 I CB -0.497 37.535 38.000 0.053 0.000 1.054 101 I HN 0.424 nan 8.210 nan 0.000 0.402 102 T N -0.349 114.279 114.554 0.124 0.000 2.889 102 T HA 0.159 4.508 4.350 -0.000 0.000 0.315 102 T C -0.852 173.955 174.700 0.179 0.000 1.291 102 T CA -0.718 61.453 62.100 0.118 0.000 1.028 102 T CB 1.499 70.420 68.868 0.089 0.000 1.235 102 T HN 0.372 nan 8.240 nan 0.000 0.491 103 D N 1.158 121.600 120.400 0.071 0.000 2.340 103 D HA 0.276 4.916 4.640 -0.000 0.000 0.217 103 D C 1.467 177.736 176.300 -0.052 0.000 1.081 103 D CA 0.709 54.671 54.000 -0.063 0.000 0.842 103 D CB -0.238 40.397 40.800 -0.275 0.000 0.934 103 D HN 1.201 nan 8.370 nan 0.000 0.511 104 G N 0.641 109.450 108.800 0.016 0.000 2.175 104 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.244 104 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.244 104 G C 0.839 175.726 174.900 -0.022 0.000 0.982 104 G CA 0.405 45.506 45.100 0.002 0.000 0.641 104 G HN 0.698 nan 8.290 nan 0.000 0.527 105 S N -0.184 115.499 115.700 -0.028 0.000 2.942 105 S HA 0.415 4.885 4.470 -0.000 0.000 0.244 105 S C 0.883 175.474 174.600 -0.015 0.000 1.011 105 S CA 0.469 58.651 58.200 -0.030 0.000 1.102 105 S CB 0.302 63.481 63.200 -0.036 0.000 0.812 105 S HN 1.886 nan 8.310 nan 0.000 0.486 106 V N 1.493 121.401 119.914 -0.010 0.000 2.455 106 V HA 0.416 4.536 4.120 -0.000 0.000 0.273 106 V C 1.094 177.150 176.094 -0.064 0.000 1.045 106 V CA 0.116 62.412 62.300 -0.007 0.000 0.976 106 V CB 0.718 32.571 31.823 0.051 0.000 0.993 106 V HN 0.554 nan 8.190 nan 0.000 0.475 107 S N 3.735 119.406 115.700 -0.048 0.000 2.555 107 S HA -0.091 4.379 4.470 -0.000 0.000 0.230 107 S C 1.479 176.017 174.600 -0.103 0.000 0.978 107 S CA 1.238 59.405 58.200 -0.055 0.000 0.934 107 S CB 0.155 63.342 63.200 -0.021 0.000 0.766 107 S HN 0.972 nan 8.310 nan 0.000 0.533 108 V N 1.279 121.076 119.914 -0.194 0.000 3.041 108 V HA 0.210 4.330 4.120 -0.000 0.000 0.260 108 V C 0.274 176.216 176.094 -0.253 0.000 1.105 108 V CA 0.653 62.786 62.300 -0.278 0.000 1.125 108 V CB -0.364 31.129 31.823 -0.550 0.000 0.730 108 V HN 0.471 nan 8.190 nan 0.000 0.479 109 I N 1.326 121.769 120.570 -0.213 0.000 2.315 109 I HA 0.460 4.629 4.170 -0.000 0.000 0.291 109 I C -0.311 175.694 176.117 -0.186 0.000 1.006 109 I CA -0.071 61.120 61.300 -0.181 0.000 1.265 109 I CB 0.986 38.910 38.000 -0.127 0.000 1.387 109 I HN 0.288 nan 8.210 nan 0.000 0.475 110 Q N 4.455 124.101 119.800 -0.256 0.000 2.375 110 Q HA 0.556 4.896 4.340 -0.000 0.000 0.271 110 Q C -0.861 174.948 176.000 -0.318 0.000 1.074 110 Q CA -0.573 55.000 55.803 -0.383 0.000 0.808 110 Q CB 3.164 31.401 28.738 -0.834 0.000 1.327 110 Q HN 0.395 nan 8.270 nan 0.000 0.441 111 V N 1.727 121.501 119.914 -0.233 0.000 2.350 111 V HA 0.673 4.793 4.120 -0.000 0.000 0.276 111 V C -0.402 175.635 176.094 -0.095 0.000 1.028 111 V CA -0.778 61.444 62.300 -0.130 0.000 0.860 111 V CB 1.194 32.977 31.823 -0.067 0.000 0.990 111 V HN 0.863 nan 8.190 nan 0.000 0.453 112 A N 5.596 128.397 122.820 -0.033 0.000 2.354 112 A HA 0.643 4.963 4.320 -0.000 0.000 0.281 112 A C -0.326 177.322 177.584 0.106 0.000 1.174 112 A CA -0.272 51.837 52.037 0.119 0.000 0.828 112 A CB 0.423 19.543 19.000 0.201 0.000 1.099 112 A HN 0.700 nan 8.150 nan 0.000 0.516 113 V N 4.659 124.643 119.914 0.118 0.000 2.313 113 V HA 0.234 4.354 4.120 -0.000 0.000 0.278 113 V C -0.610 175.540 176.094 0.094 0.000 1.017 113 V CA -0.400 61.953 62.300 0.088 0.000 0.823 113 V CB 0.816 32.675 31.823 0.060 0.000 1.010 113 V HN 0.701 nan 8.190 nan 0.000 0.443 114 L N 5.510 126.789 121.223 0.093 0.000 2.283 114 L HA 0.595 4.935 4.340 -0.000 0.000 0.287 114 L C 0.260 177.180 176.870 0.083 0.000 1.073 114 L CA 1.011 55.902 54.840 0.085 0.000 0.822 114 L CB 0.145 42.256 42.059 0.086 0.000 1.186 114 L HN 0.726 nan 8.230 nan 0.000 0.436 115 D N -0.278 120.167 120.400 0.075 0.000 3.376 115 D HA 0.080 4.720 4.640 -0.000 0.000 0.344 115 D C 0.618 176.959 176.300 0.068 0.000 1.428 115 D CA 0.401 54.462 54.000 0.101 0.000 0.949 115 D CB 1.432 42.315 40.800 0.139 0.000 1.451 115 D HN 0.358 nan 8.370 nan 0.000 0.578 116 T N -1.145 113.457 114.554 0.080 0.000 3.160 116 T HA 0.439 4.789 4.350 -0.000 0.000 0.257 116 T C 1.061 175.772 174.700 0.017 0.000 1.147 116 T CA 1.301 63.423 62.100 0.036 0.000 1.064 116 T CB 0.006 68.892 68.868 0.030 0.000 0.949 116 T HN 0.825 nan 8.240 nan 0.000 0.526 117 G N -0.187 108.626 108.800 0.022 0.000 2.342 117 G HA2 0.194 4.154 3.960 -0.000 0.000 0.220 117 G HA3 0.194 4.154 3.960 -0.000 0.000 0.220 117 G C -1.298 173.610 174.900 0.014 0.000 1.243 117 G CA -0.439 44.669 45.100 0.014 0.000 1.083 117 G HN 0.989 nan 8.290 nan 0.000 0.500 118 V N 0.512 120.447 119.914 0.035 0.000 2.655 118 V HA 0.552 4.672 4.120 -0.000 0.000 0.301 118 V C -0.817 175.294 176.094 0.029 0.000 1.082 118 V CA 0.024 62.346 62.300 0.036 0.000 0.899 118 V CB 1.729 33.593 31.823 0.069 0.000 1.014 118 V HN 1.085 nan 8.190 nan 0.000 0.429 119 D N 5.379 125.741 120.400 -0.064 0.000 2.479 119 D HA -0.024 4.616 4.640 -0.000 0.000 0.253 119 D C 0.938 177.160 176.300 -0.130 0.000 1.278 119 D CA 0.229 54.139 54.000 -0.150 0.000 1.145 119 D CB 0.001 40.745 40.800 -0.094 0.000 1.118 119 D HN 0.696 nan 8.370 nan 0.000 0.513 120 Y N -0.212 120.089 120.300 0.002 0.000 2.632 120 Y HA 0.147 4.697 4.550 -0.000 0.000 0.301 120 Y C 1.144 177.059 175.900 0.024 0.000 1.172 120 Y CA -0.176 57.930 58.100 0.010 0.000 1.328 120 Y CB -0.026 38.431 38.460 -0.006 0.000 1.016 120 Y HN 0.049 nan 8.280 nan 0.000 0.529 121 D N -0.531 119.707 120.400 -0.270 0.000 2.346 121 D HA -0.036 4.604 4.640 -0.000 0.000 0.206 121 D C 0.080 176.355 176.300 -0.041 0.000 1.001 121 D CA 0.356 54.273 54.000 -0.138 0.000 0.871 121 D CB -0.353 40.297 40.800 -0.250 0.000 0.943 121 D HN 0.512 nan 8.370 nan 0.000 0.518 122 H N 0.801 119.810 119.070 -0.102 0.000 3.001 122 H HA -0.001 4.555 4.556 -0.000 0.000 0.334 122 H C -1.331 173.984 175.328 -0.023 0.000 1.034 122 H CA -0.706 55.297 56.048 -0.075 0.000 1.420 122 H CB 1.427 31.133 29.762 -0.093 0.000 1.405 122 H HN -0.058 nan 8.280 nan 0.000 0.593 123 P HA -0.036 nan 4.420 nan 0.000 0.228 123 P C 0.727 178.121 177.300 0.158 0.000 1.166 123 P CA 0.620 63.764 63.100 0.074 0.000 0.812 123 P CB 0.500 32.203 31.700 0.005 0.000 0.857 124 D N -0.621 119.974 120.400 0.326 0.000 2.384 124 D HA -0.017 4.623 4.640 -0.000 0.000 0.222 124 D C 1.622 178.000 176.300 0.129 0.000 0.976 124 D CA 0.811 54.969 54.000 0.263 0.000 0.915 124 D CB -0.206 40.820 40.800 0.376 0.000 0.896 124 D HN 0.184 nan 8.370 nan 0.000 0.523 125 L N -1.531 119.768 121.223 0.126 0.000 2.694 125 L HA 0.309 4.648 4.340 -0.000 0.000 0.228 125 L C 2.268 179.177 176.870 0.065 0.000 1.048 125 L CA 0.444 55.312 54.840 0.047 0.000 0.887 125 L CB -0.351 41.712 42.059 0.007 0.000 1.265 125 L HN -0.140 nan 8.230 nan 0.000 0.492 126 A N 0.998 123.874 122.820 0.093 0.000 1.948 126 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 126 A C 2.403 180.035 177.584 0.080 0.000 1.177 126 A CA 2.054 54.152 52.037 0.100 0.000 0.636 126 A CB -0.600 18.460 19.000 0.101 0.000 0.815 126 A HN 0.379 nan 8.150 nan 0.000 0.449 127 A N -0.245 122.609 122.820 0.056 0.000 2.070 127 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 127 A C 1.730 179.335 177.584 0.035 0.000 1.159 127 A CA 1.616 53.677 52.037 0.040 0.000 0.656 127 A CB -0.479 18.534 19.000 0.022 0.000 0.800 127 A HN 0.539 nan 8.150 nan 0.000 0.453 128 N N 0.020 118.739 118.700 0.031 0.000 2.412 128 N HA 0.051 4.791 4.740 -0.000 0.000 0.184 128 N C -0.046 175.498 175.510 0.057 0.000 1.101 128 N CA 0.308 53.373 53.050 0.025 0.000 0.881 128 N CB 0.079 38.563 38.487 -0.005 0.000 0.969 128 N HN 0.295 nan 8.380 nan 0.000 0.459 129 I N 1.415 122.033 120.570 0.081 0.000 2.329 129 I HA 0.105 4.275 4.170 -0.000 0.000 0.295 129 I C 1.389 177.590 176.117 0.140 0.000 1.109 129 I CA -0.477 60.891 61.300 0.113 0.000 1.297 129 I CB -0.152 37.919 38.000 0.118 0.000 1.433 129 I HN -0.083 nan 8.210 nan 0.000 0.509 130 A N 5.886 128.835 122.820 0.214 0.000 1.970 130 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 130 A C 0.510 178.284 177.584 0.317 0.000 1.170 130 A CA 0.682 52.876 52.037 0.262 0.000 0.645 130 A CB 0.144 19.349 19.000 0.342 0.000 0.816 130 A HN 0.708 nan 8.150 nan 0.000 0.447 131 W N -2.903 118.444 121.300 0.077 0.000 3.419 131 W HA 0.494 5.154 4.660 -0.000 0.000 0.298 131 W C -1.998 174.476 176.519 -0.075 0.000 1.260 131 W CA -1.222 56.060 57.345 -0.104 0.000 1.199 131 W CB 1.223 30.395 29.460 -0.481 0.000 1.349 131 W HN 0.019 nan 8.180 nan 0.000 0.557 132 c N 7.477 125.648 118.600 -0.715 0.000 2.919 132 c HA 0.704 5.274 4.570 -0.000 0.000 0.337 132 c C -0.637 172.988 174.090 -0.776 0.000 1.039 132 c CA -0.262 55.737 56.329 -0.550 0.000 1.373 132 c CB -0.955 41.342 42.510 -0.354 0.000 1.843 132 c HN 0.527 nan 8.230 nan 0.000 0.493 133 V N 2.783 122.240 119.914 -0.761 0.000 3.166 133 V HA 0.938 5.058 4.120 -0.000 0.000 0.317 133 V C 0.002 175.917 176.094 -0.297 0.000 1.136 133 V CA -0.532 61.404 62.300 -0.606 0.000 1.035 133 V CB 1.765 33.150 31.823 -0.729 0.000 1.110 133 V HN 0.689 nan 8.190 nan 0.000 0.450 134 S N -0.555 115.016 115.700 -0.214 0.000 2.541 134 S HA 0.661 5.131 4.470 -0.000 0.000 0.280 134 S C 0.261 174.805 174.600 -0.094 0.000 1.112 134 S CA 0.228 58.358 58.200 -0.118 0.000 0.925 134 S CB 1.926 65.074 63.200 -0.087 0.000 1.067 134 S HN 1.322 nan 8.310 nan 0.000 0.479 135 T N 1.646 116.161 114.554 -0.066 0.000 3.145 135 T HA 0.378 4.728 4.350 -0.000 0.000 0.281 135 T C 0.460 175.128 174.700 -0.054 0.000 1.003 135 T CA -0.294 61.764 62.100 -0.070 0.000 0.901 135 T CB -0.425 68.393 68.868 -0.083 0.000 1.112 135 T HN 0.482 nan 8.240 nan 0.000 0.535 136 L N 2.038 123.241 121.223 -0.034 0.000 2.559 136 L HA 0.216 4.556 4.340 -0.000 0.000 0.282 136 L C 1.083 177.944 176.870 -0.015 0.000 1.232 136 L CA 0.172 55.002 54.840 -0.016 0.000 0.885 136 L CB 0.030 42.082 42.059 -0.011 0.000 1.131 136 L HN 0.438 nan 8.230 nan 0.000 0.498 137 R N 1.980 122.477 120.500 -0.004 0.000 3.863 137 R HA -0.240 4.100 4.340 -0.000 0.000 0.313 137 R C 1.030 177.324 176.300 -0.009 0.000 1.202 137 R CA 0.469 56.569 56.100 -0.000 0.000 0.852 137 R CB -2.000 28.301 30.300 0.001 0.000 1.292 137 R HN 1.146 nan 8.270 nan 0.000 0.519 138 G N 0.340 109.121 108.800 -0.031 0.000 2.176 138 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.253 138 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.253 138 G C -0.054 174.828 174.900 -0.029 0.000 0.979 138 G CA 0.633 45.696 45.100 -0.061 0.000 0.641 138 G HN 0.515 nan 8.290 nan 0.000 0.530 139 K N 0.708 121.100 120.400 -0.013 0.000 2.281 139 K HA 0.694 5.014 4.320 -0.000 0.000 0.272 139 K C 0.086 176.685 176.600 -0.001 0.000 1.048 139 K CA -0.921 55.375 56.287 0.015 0.000 0.898 139 K CB 2.115 34.620 32.500 0.007 0.000 1.128 139 K HN 0.097 nan 8.250 nan 0.000 0.460 140 V N 3.339 123.274 119.914 0.034 0.000 2.529 140 V HA 0.176 4.296 4.120 -0.000 0.000 0.292 140 V C 0.130 176.221 176.094 -0.005 0.000 1.028 140 V CA 0.386 62.698 62.300 0.020 0.000 1.074 140 V CB 0.277 32.163 31.823 0.105 0.000 0.958 140 V HN 0.978 nan 8.190 nan 0.000 0.481 141 S N 3.406 119.071 115.700 -0.058 0.000 2.567 141 S HA 0.588 5.058 4.470 -0.000 0.000 0.270 141 S C -0.318 174.188 174.600 -0.156 0.000 1.152 141 S CA 0.178 58.331 58.200 -0.078 0.000 0.835 141 S CB 2.443 65.610 63.200 -0.055 0.000 1.115 141 S HN 0.671 nan 8.310 nan 0.000 0.459 142 T N 1.142 115.598 114.554 -0.163 0.000 3.647 142 T HA 0.273 4.623 4.350 -0.000 0.000 0.307 142 T C -0.700 173.895 174.700 -0.176 0.000 0.877 142 T CA -0.115 61.852 62.100 -0.221 0.000 0.914 142 T CB -0.235 68.571 68.868 -0.104 0.000 1.203 142 T HN 0.771 nan 8.240 nan 0.000 0.702 143 K N 0.868 121.182 120.400 -0.143 0.000 2.259 143 K HA 0.615 4.935 4.320 -0.000 0.000 0.252 143 K C 0.338 176.871 176.600 -0.113 0.000 0.936 143 K CA -0.650 55.572 56.287 -0.108 0.000 0.810 143 K CB 1.376 33.837 32.500 -0.065 0.000 1.143 143 K HN -0.062 nan 8.250 nan 0.000 0.427 144 L N 3.084 124.245 121.223 -0.103 0.000 2.446 144 L HA 0.226 4.565 4.340 -0.000 0.000 0.219 144 L C 2.111 178.998 176.870 0.028 0.000 1.116 144 L CA 0.893 55.651 54.840 -0.138 0.000 0.844 144 L CB -0.148 41.800 42.059 -0.184 0.000 0.970 144 L HN 0.715 nan 8.230 nan 0.000 0.457 145 R N -0.807 119.710 120.500 0.029 0.000 2.240 145 R HA -0.070 4.270 4.340 -0.000 0.000 0.203 145 R C 1.157 177.474 176.300 0.027 0.000 1.011 145 R CA 0.776 56.909 56.100 0.054 0.000 1.007 145 R CB 0.130 30.449 30.300 0.030 0.000 0.911 145 R HN 0.313 nan 8.270 nan 0.000 0.468 146 D N -0.133 120.262 120.400 -0.008 0.000 2.137 146 D HA -0.118 4.522 4.640 -0.000 0.000 0.202 146 D C 1.767 178.050 176.300 -0.028 0.000 0.970 146 D CA 1.113 55.097 54.000 -0.025 0.000 0.837 146 D CB -0.291 40.478 40.800 -0.051 0.000 0.981 146 D HN 0.371 nan 8.370 nan 0.000 0.475 147 c N 0.774 119.348 118.600 -0.045 0.000 2.539 147 c HA 0.602 5.172 4.570 -0.000 0.000 0.271 147 c C 1.138 175.256 174.090 0.047 0.000 1.412 147 c CA -0.612 55.682 56.329 -0.057 0.000 1.729 147 c CB -1.395 41.010 42.510 -0.176 0.000 1.739 147 c HN 0.094 nan 8.230 nan 0.000 0.570 148 A N 0.899 123.781 122.820 0.102 0.000 2.293 148 A HA 0.516 4.835 4.320 -0.000 0.000 0.302 148 A C -0.454 177.150 177.584 0.034 0.000 1.119 148 A CA -0.216 51.904 52.037 0.138 0.000 0.823 148 A CB 0.292 19.387 19.000 0.159 0.000 1.097 148 A HN 0.483 nan 8.150 nan 0.000 0.491 149 D N 0.846 121.243 120.400 -0.005 0.000 2.336 149 D HA 0.186 4.826 4.640 -0.000 0.000 0.249 149 D C 0.649 176.922 176.300 -0.046 0.000 1.213 149 D CA 0.036 54.015 54.000 -0.035 0.000 0.870 149 D CB 0.831 41.588 40.800 -0.072 0.000 1.076 149 D HN 0.390 nan 8.370 nan 0.000 0.483 150 Q N 2.844 122.626 119.800 -0.029 0.000 2.356 150 Q HA 0.006 4.346 4.340 -0.000 0.000 0.205 150 Q C 0.908 176.892 176.000 -0.026 0.000 0.901 150 Q CA 0.118 55.906 55.803 -0.024 0.000 0.938 150 Q CB 0.392 29.124 28.738 -0.010 0.000 1.081 150 Q HN 0.536 nan 8.270 nan 0.000 0.517 151 N N 0.028 118.704 118.700 -0.041 0.000 2.545 151 N HA -0.036 4.704 4.740 -0.000 0.000 0.190 151 N C 1.154 176.591 175.510 -0.120 0.000 1.043 151 N CA 1.455 54.485 53.050 -0.034 0.000 0.879 151 N CB 0.981 39.462 38.487 -0.009 0.000 1.210 151 N HN 0.254 nan 8.380 nan 0.000 0.437 152 G N 0.541 109.198 108.800 -0.238 0.000 2.284 152 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.216 152 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.216 152 G C 0.944 175.537 174.900 -0.510 0.000 1.009 152 G CA 0.498 45.213 45.100 -0.642 0.000 0.625 152 G HN 0.556 nan 8.290 nan 0.000 0.501 153 H N 1.297 120.206 119.070 -0.268 0.000 2.265 153 H HA -0.131 4.425 4.556 -0.000 0.000 0.295 153 H C 2.806 178.106 175.328 -0.048 0.000 1.084 153 H CA 2.938 58.926 56.048 -0.100 0.000 1.261 153 H CB -0.670 29.068 29.762 -0.039 0.000 1.360 153 H HN 0.468 nan 8.280 nan 0.000 0.487 154 G N -0.355 108.475 108.800 0.050 0.000 2.476 154 G HA2 -0.312 3.647 3.960 -0.000 0.000 0.218 154 G HA3 -0.312 3.647 3.960 -0.000 0.000 0.218 154 G C 1.794 176.657 174.900 -0.061 0.000 1.164 154 G CA 1.625 46.727 45.100 0.004 0.000 0.768 154 G HN 0.451 nan 8.290 nan 0.000 0.560 155 T N -0.147 114.344 114.554 -0.105 0.000 2.653 155 T HA -0.232 4.118 4.350 -0.000 0.000 0.268 155 T C 1.981 176.610 174.700 -0.118 0.000 1.035 155 T CA 1.550 63.567 62.100 -0.138 0.000 1.154 155 T CB -0.481 68.268 68.868 -0.198 0.000 0.862 155 T HN 0.453 nan 8.240 nan 0.000 0.441 156 H N 0.558 119.512 119.070 -0.193 0.000 2.270 156 H HA -0.061 4.495 4.556 -0.000 0.000 0.299 156 H C 2.404 177.652 175.328 -0.133 0.000 1.077 156 H CA 1.786 57.771 56.048 -0.106 0.000 1.294 156 H CB -0.507 29.241 29.762 -0.024 0.000 1.371 156 H HN 0.148 nan 8.280 nan 0.000 0.491 157 V N 1.646 121.527 119.914 -0.055 0.000 2.250 157 V HA -0.322 3.798 4.120 -0.000 0.000 0.253 157 V C 2.929 178.960 176.094 -0.105 0.000 1.065 157 V CA 2.232 64.474 62.300 -0.096 0.000 1.039 157 V CB -0.662 31.093 31.823 -0.113 0.000 0.647 157 V HN 0.387 nan 8.190 nan 0.000 0.446 158 I N 0.261 120.778 120.570 -0.089 0.000 2.286 158 I HA -0.183 3.987 4.170 -0.000 0.000 0.248 158 I C 2.552 178.603 176.117 -0.110 0.000 1.115 158 I CA 1.589 62.842 61.300 -0.078 0.000 1.392 158 I CB -0.891 37.080 38.000 -0.049 0.000 1.065 158 I HN 0.442 nan 8.210 nan 0.000 0.418 159 G N 0.057 108.765 108.800 -0.153 0.000 2.440 159 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.218 159 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.218 159 G C 1.628 176.419 174.900 -0.181 0.000 1.154 159 G CA 1.369 46.366 45.100 -0.173 0.000 0.767 159 G HN 0.270 nan 8.290 nan 0.000 0.552 160 T N 1.049 115.463 114.554 -0.234 0.000 2.881 160 T HA -0.015 4.335 4.350 -0.000 0.000 0.270 160 T C 2.278 176.829 174.700 -0.249 0.000 1.068 160 T CA 0.834 62.761 62.100 -0.288 0.000 1.131 160 T CB -0.093 68.552 68.868 -0.371 0.000 0.871 160 T HN 0.296 nan 8.240 nan 0.000 0.479 161 I N -0.007 120.461 120.570 -0.169 0.000 2.429 161 I HA 0.119 4.289 4.170 -0.000 0.000 0.247 161 I C 2.109 178.173 176.117 -0.087 0.000 1.099 161 I CA 0.927 62.158 61.300 -0.115 0.000 1.422 161 I CB 0.004 37.956 38.000 -0.080 0.000 1.112 161 I HN 0.137 nan 8.210 nan 0.000 0.430 162 A N 0.261 123.025 122.820 -0.093 0.000 2.674 162 A HA 0.617 4.936 4.320 -0.000 0.000 0.274 162 A C 0.690 178.218 177.584 -0.093 0.000 1.065 162 A CA -0.125 51.859 52.037 -0.089 0.000 0.978 162 A CB -0.147 18.815 19.000 -0.064 0.000 1.242 162 A HN 0.152 nan 8.150 nan 0.000 0.583 163 A N 0.678 123.441 122.820 -0.096 0.000 2.546 163 A HA 0.453 4.772 4.320 -0.000 0.000 0.243 163 A C 0.396 177.924 177.584 -0.094 0.000 1.063 163 A CA 0.175 52.167 52.037 -0.074 0.000 0.757 163 A CB -0.295 18.672 19.000 -0.055 0.000 0.991 163 A HN 0.576 nan 8.150 nan 0.000 0.503 164 L N 2.067 123.251 121.223 -0.064 0.000 2.485 164 L HA -0.007 4.333 4.340 -0.000 0.000 0.275 164 L C 0.784 177.577 176.870 -0.128 0.000 1.207 164 L CA -0.133 54.653 54.840 -0.090 0.000 0.855 164 L CB 0.190 42.230 42.059 -0.032 0.000 1.114 164 L HN 0.793 nan 8.230 nan 0.000 0.485 165 N N 3.344 121.923 118.700 -0.200 0.000 2.420 165 N HA 0.246 4.986 4.740 -0.000 0.000 0.249 165 N C -0.795 174.650 175.510 -0.108 0.000 1.033 165 N CA -0.168 52.758 53.050 -0.207 0.000 0.944 165 N CB 0.129 38.388 38.487 -0.380 0.000 1.113 165 N HN 0.750 nan 8.380 nan 0.000 0.502 166 N N 1.270 119.935 118.700 -0.058 0.000 3.428 166 N HA 0.117 4.857 4.740 -0.000 0.000 0.332 166 N C -1.045 174.459 175.510 -0.010 0.000 1.452 166 N CA -0.364 52.670 53.050 -0.026 0.000 0.865 166 N CB 0.114 38.589 38.487 -0.019 0.000 1.871 166 N HN 0.082 nan 8.380 nan 0.000 0.474 167 D N -0.286 120.114 120.400 -0.001 0.000 2.369 167 D HA 0.290 4.930 4.640 -0.000 0.000 0.211 167 D C 0.357 176.655 176.300 -0.003 0.000 1.077 167 D CA 0.259 54.260 54.000 0.001 0.000 0.842 167 D CB 0.734 41.538 40.800 0.006 0.000 0.947 167 D HN 0.573 nan 8.370 nan 0.000 0.509 168 I N -3.763 116.808 120.570 0.002 0.000 2.982 168 I HA 0.614 4.784 4.170 -0.000 0.000 0.312 168 I C 1.668 177.745 176.117 -0.067 0.000 1.041 168 I CA -0.914 60.387 61.300 0.003 0.000 1.053 168 I CB 1.181 39.221 38.000 0.066 0.000 1.248 168 I HN -0.066 nan 8.210 nan 0.000 0.471 169 G N 2.165 110.837 108.800 -0.214 0.000 3.465 169 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.274 169 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.274 169 G C 0.587 175.244 174.900 -0.406 0.000 0.930 169 G CA 2.663 47.312 45.100 -0.751 0.000 0.808 169 G HN 1.368 nan 8.290 nan 0.000 1.233 170 V N -3.799 115.987 119.914 -0.212 0.000 3.221 170 V HA 0.907 5.027 4.120 -0.000 0.000 0.305 170 V C -0.085 175.988 176.094 -0.034 0.000 1.263 170 V CA -0.169 62.074 62.300 -0.096 0.000 1.048 170 V CB 1.323 33.110 31.823 -0.060 0.000 1.203 170 V HN 1.446 nan 8.190 nan 0.000 0.476 171 V N -0.506 119.402 119.914 -0.009 0.000 2.932 171 V HA 0.857 4.977 4.120 -0.000 0.000 0.307 171 V C 0.215 176.312 176.094 0.005 0.000 1.147 171 V CA 0.476 62.764 62.300 -0.021 0.000 0.951 171 V CB 1.675 33.501 31.823 0.005 0.000 1.031 171 V HN 1.550 nan 8.190 nan 0.000 0.426 172 G N 3.167 111.934 108.800 -0.054 0.000 2.476 172 G HA2 0.454 4.414 3.960 -0.000 0.000 0.286 172 G HA3 0.454 4.414 3.960 -0.000 0.000 0.286 172 G C 0.969 175.927 174.900 0.097 0.000 1.177 172 G CA 0.190 45.265 45.100 -0.041 0.000 0.870 172 G HN 0.965 nan 8.290 nan 0.000 0.528 173 V N 1.261 121.227 119.914 0.088 0.000 2.313 173 V HA -0.198 3.922 4.120 -0.000 0.000 0.253 173 V C 2.025 178.314 176.094 0.325 0.000 1.070 173 V CA 2.508 64.931 62.300 0.205 0.000 1.057 173 V CB -0.681 31.175 31.823 0.055 0.000 0.653 173 V HN 0.909 nan 8.190 nan 0.000 0.450 174 A N 0.049 122.934 122.820 0.108 0.000 2.978 174 A HA 0.569 4.888 4.320 -0.000 0.000 0.341 174 A C -1.678 175.828 177.584 -0.131 0.000 1.105 174 A CA -0.956 51.102 52.037 0.036 0.000 0.819 174 A CB 0.533 19.550 19.000 0.030 0.000 1.080 174 A HN 0.348 nan 8.150 nan 0.000 0.476 175 P HA 0.055 nan 4.420 nan 0.000 0.245 175 P C 0.980 178.123 177.300 -0.261 0.000 1.212 175 P CA 1.085 63.979 63.100 -0.344 0.000 0.774 175 P CB 0.328 31.678 31.700 -0.583 0.000 0.999 176 G N -0.577 108.093 108.800 -0.217 0.000 3.324 176 G HA2 0.127 4.087 3.960 -0.000 0.000 0.251 176 G HA3 0.127 4.087 3.960 -0.000 0.000 0.251 176 G C 0.036 174.884 174.900 -0.087 0.000 1.072 176 G CA 0.062 45.079 45.100 -0.139 0.000 0.787 176 G HN 0.183 nan 8.290 nan 0.000 0.537 177 V N 0.832 120.696 119.914 -0.083 0.000 2.686 177 V HA 0.225 4.345 4.120 -0.000 0.000 0.295 177 V C -0.013 176.050 176.094 -0.052 0.000 1.055 177 V CA -0.364 61.899 62.300 -0.062 0.000 1.050 177 V CB 1.426 33.216 31.823 -0.055 0.000 0.984 177 V HN 0.353 nan 8.190 nan 0.000 0.482 178 Q N 5.035 124.803 119.800 -0.054 0.000 2.288 178 Q HA 0.354 4.693 4.340 -0.000 0.000 0.258 178 Q C -0.816 175.152 176.000 -0.052 0.000 0.957 178 Q CA -0.456 55.328 55.803 -0.031 0.000 0.919 178 Q CB 1.321 30.042 28.738 -0.029 0.000 1.185 178 Q HN 0.502 nan 8.270 nan 0.000 0.408 179 I N 3.642 124.225 120.570 0.022 0.000 2.331 179 I HA 0.139 4.309 4.170 -0.000 0.000 0.292 179 I C -0.502 175.777 176.117 0.270 0.000 0.998 179 I CA -0.803 60.535 61.300 0.063 0.000 1.267 179 I CB 0.312 38.352 38.000 0.066 0.000 1.386 179 I HN 0.464 nan 8.210 nan 0.000 0.476 180 Y N 3.747 124.126 120.300 0.131 0.000 2.486 180 Y HA 0.159 4.709 4.550 -0.000 0.000 0.348 180 Y C 1.125 177.094 175.900 0.115 0.000 1.000 180 Y CA -0.857 57.367 58.100 0.207 0.000 1.253 180 Y CB 0.575 39.235 38.460 0.334 0.000 1.140 180 Y HN 0.452 nan 8.280 nan 0.000 0.526 181 S N 3.923 119.745 115.700 0.203 0.000 2.411 181 S HA 0.454 4.924 4.470 -0.000 0.000 0.304 181 S C -0.653 173.951 174.600 0.007 0.000 1.098 181 S CA -0.572 57.680 58.200 0.087 0.000 1.068 181 S CB -0.476 62.754 63.200 0.050 0.000 1.032 181 S HN 0.371 nan 8.310 nan 0.000 0.511 182 V N 7.373 127.314 119.914 0.046 0.000 2.311 182 V HA 0.395 4.515 4.120 -0.000 0.000 0.275 182 V C 0.490 176.585 176.094 0.003 0.000 1.022 182 V CA -0.793 61.508 62.300 0.002 0.000 0.830 182 V CB 0.712 32.589 31.823 0.090 0.000 1.012 182 V HN 0.792 nan 8.190 nan 0.000 0.452 183 R N 4.070 124.549 120.500 -0.036 0.000 2.242 183 R HA 0.360 4.700 4.340 -0.000 0.000 0.334 183 R C 0.579 176.876 176.300 -0.005 0.000 1.071 183 R CA 0.023 56.114 56.100 -0.014 0.000 0.922 183 R CB 0.940 31.225 30.300 -0.025 0.000 1.023 183 R HN 0.665 nan 8.270 nan 0.000 0.458 184 V N 2.614 122.539 119.914 0.018 0.000 3.502 184 V HA 0.333 4.453 4.120 -0.000 0.000 0.288 184 V C -0.048 176.065 176.094 0.033 0.000 1.461 184 V CA -0.185 62.131 62.300 0.026 0.000 1.029 184 V CB 0.017 31.866 31.823 0.043 0.000 0.843 184 V HN 0.459 nan 8.190 nan 0.000 0.438 185 L N 2.361 123.600 121.223 0.026 0.000 2.342 185 L HA 0.657 4.996 4.340 -0.000 0.000 0.271 185 L C -0.231 176.646 176.870 0.010 0.000 1.008 185 L CA -0.783 54.069 54.840 0.020 0.000 0.818 185 L CB 1.829 43.892 42.059 0.007 0.000 1.296 185 L HN 0.321 nan 8.230 nan 0.000 0.427 186 D N 1.455 121.861 120.400 0.009 0.000 2.478 186 D HA 0.229 4.869 4.640 -0.000 0.000 0.269 186 D C 0.964 177.264 176.300 -0.001 0.000 1.232 186 D CA -0.175 53.829 54.000 0.006 0.000 1.059 186 D CB 0.927 41.733 40.800 0.010 0.000 1.104 186 D HN 0.506 nan 8.370 nan 0.000 0.566 187 A N -0.394 122.426 122.820 0.000 0.000 2.024 187 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 187 A C 1.887 179.471 177.584 -0.001 0.000 1.164 187 A CA 1.247 53.283 52.037 -0.001 0.000 0.643 187 A CB -0.617 18.384 19.000 0.002 0.000 0.806 187 A HN 0.569 nan 8.150 nan 0.000 0.451 188 R N -1.145 119.355 120.500 -0.001 0.000 2.317 188 R HA 0.229 4.569 4.340 -0.000 0.000 0.208 188 R C 1.015 177.302 176.300 -0.022 0.000 0.914 188 R CA 0.784 56.882 56.100 -0.004 0.000 1.060 188 R CB -0.827 29.475 30.300 0.002 0.000 1.015 188 R HN 0.945 nan 8.270 nan 0.000 0.498 189 G N 1.213 109.994 108.800 -0.031 0.000 2.142 189 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.225 189 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.225 189 G C -0.253 174.615 174.900 -0.053 0.000 1.015 189 G CA 0.402 45.458 45.100 -0.073 0.000 0.716 189 G HN 0.493 nan 8.290 nan 0.000 0.508 190 S N -0.516 115.176 115.700 -0.012 0.000 2.473 190 S HA 0.844 5.314 4.470 -0.000 0.000 0.307 190 S C 0.372 174.994 174.600 0.037 0.000 1.094 190 S CA 0.640 58.849 58.200 0.015 0.000 1.070 190 S CB 1.581 64.793 63.200 0.020 0.000 1.019 190 S HN 1.642 nan 8.310 nan 0.000 0.480 191 G N 1.729 110.570 108.800 0.069 0.000 2.569 191 G HA2 0.592 4.551 3.960 -0.000 0.000 0.300 191 G HA3 0.592 4.551 3.960 -0.000 0.000 0.300 191 G C -0.606 174.385 174.900 0.152 0.000 1.269 191 G CA -0.663 44.493 45.100 0.093 0.000 0.959 191 G HN 1.035 nan 8.290 nan 0.000 0.478 192 S N -0.251 115.541 115.700 0.152 0.000 2.562 192 S HA 0.268 4.738 4.470 -0.000 0.000 0.275 192 S C 0.753 175.546 174.600 0.322 0.000 1.281 192 S CA -0.601 57.728 58.200 0.216 0.000 1.045 192 S CB 0.950 64.238 63.200 0.147 0.000 0.962 192 S HN 0.563 nan 8.310 nan 0.000 0.503 193 Y N 2.041 122.446 120.300 0.175 0.000 2.256 193 Y HA -0.222 4.328 4.550 -0.000 0.000 0.288 193 Y C 3.064 179.150 175.900 0.311 0.000 1.155 193 Y CA 1.221 59.458 58.100 0.228 0.000 1.203 193 Y CB -0.172 38.452 38.460 0.273 0.000 0.980 193 Y HN 0.943 nan 8.280 nan 0.000 0.530 194 S N -0.294 115.676 115.700 0.449 0.000 2.368 194 S HA -0.198 4.272 4.470 -0.000 0.000 0.225 194 S C 1.522 176.250 174.600 0.214 0.000 1.030 194 S CA 1.542 59.950 58.200 0.346 0.000 0.999 194 S CB -0.452 62.839 63.200 0.152 0.000 0.844 194 S HN 0.350 nan 8.310 nan 0.000 0.459 195 D N 1.921 122.399 120.400 0.130 0.000 2.117 195 D HA 0.029 4.669 4.640 -0.000 0.000 0.197 195 D C 1.940 178.280 176.300 0.068 0.000 0.987 195 D CA 1.092 55.120 54.000 0.048 0.000 0.829 195 D CB -0.486 40.341 40.800 0.044 0.000 0.961 195 D HN 0.469 nan 8.370 nan 0.000 0.460 196 I N 1.096 121.733 120.570 0.112 0.000 2.208 196 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 196 I C 2.403 178.593 176.117 0.123 0.000 1.097 196 I CA 1.276 62.631 61.300 0.092 0.000 1.363 196 I CB -0.221 37.806 38.000 0.045 0.000 1.051 196 I HN -0.054 nan 8.210 nan 0.000 0.413 197 A N 0.625 123.569 122.820 0.206 0.000 1.968 197 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 197 A C 2.273 180.067 177.584 0.350 0.000 1.169 197 A CA 1.087 53.284 52.037 0.266 0.000 0.638 197 A CB -0.611 18.647 19.000 0.430 0.000 0.812 197 A HN 0.366 nan 8.150 nan 0.000 0.446 198 I N -0.284 120.425 120.570 0.232 0.000 2.202 198 I HA -0.168 4.002 4.170 -0.000 0.000 0.242 198 I C 2.760 178.893 176.117 0.028 0.000 1.091 198 I CA 0.922 62.189 61.300 -0.055 0.000 1.368 198 I CB -0.847 36.835 38.000 -0.530 0.000 1.058 198 I HN 0.383 nan 8.210 nan 0.000 0.410 199 G N 1.928 110.756 108.800 0.046 0.000 2.703 199 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.222 199 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.222 199 G C 1.618 176.604 174.900 0.143 0.000 1.183 199 G CA 1.553 46.708 45.100 0.091 0.000 0.775 199 G HN 0.392 nan 8.290 nan 0.000 0.615 200 I N 0.538 121.196 120.570 0.147 0.000 2.315 200 I HA -0.104 4.066 4.170 -0.000 0.000 0.248 200 I C 2.646 178.868 176.117 0.174 0.000 1.117 200 I CA 1.515 62.906 61.300 0.151 0.000 1.404 200 I CB -0.319 37.756 38.000 0.125 0.000 1.071 200 I HN 0.373 nan 8.210 nan 0.000 0.419 201 E N 0.782 121.108 120.200 0.209 0.000 2.085 201 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 201 E C 2.224 178.958 176.600 0.223 0.000 0.994 201 E CA 1.254 57.800 56.400 0.242 0.000 0.801 201 E CB 0.118 30.038 29.700 0.366 0.000 0.743 201 E HN 0.364 nan 8.360 nan 0.000 0.453 202 Q N -0.214 119.724 119.800 0.231 0.000 2.170 202 Q HA -0.100 4.240 4.340 -0.000 0.000 0.203 202 Q C 2.079 178.270 176.000 0.319 0.000 0.976 202 Q CA 1.388 57.371 55.803 0.299 0.000 0.858 202 Q CB -0.318 28.611 28.738 0.317 0.000 0.907 202 Q HN 0.413 nan 8.270 nan 0.000 0.433 203 A N 0.221 123.216 122.820 0.292 0.000 2.066 203 A HA -0.039 4.281 4.320 -0.000 0.000 0.218 203 A C 2.060 179.774 177.584 0.218 0.000 1.157 203 A CA 0.618 52.849 52.037 0.323 0.000 0.670 203 A CB -0.335 18.831 19.000 0.278 0.000 0.804 203 A HN 0.290 nan 8.150 nan 0.000 0.453 204 I N -0.814 119.848 120.570 0.153 0.000 2.480 204 I HA -0.110 4.059 4.170 -0.000 0.000 0.251 204 I C 2.151 178.303 176.117 0.058 0.000 1.124 204 I CA 0.620 61.980 61.300 0.099 0.000 1.444 204 I CB -0.189 37.868 38.000 0.095 0.000 1.098 204 I HN 0.235 nan 8.210 nan 0.000 0.428 205 L N 0.499 121.753 121.223 0.052 0.000 2.072 205 L HA 0.096 4.436 4.340 -0.000 0.000 0.205 205 L C 1.743 178.525 176.870 -0.147 0.000 1.079 205 L CA 0.714 55.548 54.840 -0.011 0.000 0.752 205 L CB -1.301 40.779 42.059 0.035 0.000 0.906 205 L HN 0.414 nan 8.230 nan 0.000 0.436 206 G N 0.569 109.201 108.800 -0.279 0.000 2.546 206 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.346 206 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.346 206 G C -1.573 172.853 174.900 -0.789 0.000 1.334 206 G CA 0.262 44.786 45.100 -0.960 0.000 0.925 206 G HN 0.166 nan 8.290 nan 0.000 0.537 207 P HA -0.085 nan 4.420 nan 0.000 0.217 207 P C 1.345 178.533 177.300 -0.187 0.000 1.151 207 P CA 1.820 64.680 63.100 -0.400 0.000 0.849 207 P CB -0.162 31.296 31.700 -0.403 0.000 0.787 208 D N -0.997 119.291 120.400 -0.187 0.000 2.263 208 D HA -0.197 4.443 4.640 -0.000 0.000 0.193 208 D C 1.804 178.072 176.300 -0.053 0.000 1.013 208 D CA 2.054 55.996 54.000 -0.098 0.000 0.892 208 D CB -1.165 39.584 40.800 -0.086 0.000 0.909 208 D HN 0.242 nan 8.370 nan 0.000 0.449 209 G N -0.560 108.213 108.800 -0.045 0.000 2.200 209 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.268 209 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.268 209 G C 0.294 175.200 174.900 0.010 0.000 0.986 209 G CA 0.857 45.960 45.100 0.004 0.000 0.677 209 G HN 0.584 nan 8.290 nan 0.000 0.532 210 V N -1.315 118.596 119.914 -0.004 0.000 2.971 210 V HA 0.769 4.889 4.120 -0.000 0.000 0.309 210 V C 0.833 176.928 176.094 0.002 0.000 1.130 210 V CA 0.193 62.496 62.300 0.004 0.000 0.964 210 V CB 1.713 33.535 31.823 -0.002 0.000 1.029 210 V HN 0.955 nan 8.190 nan 0.000 0.427 211 A N 3.374 126.202 122.820 0.013 0.000 1.970 211 A HA 0.155 4.475 4.320 -0.000 0.000 0.216 211 A C 0.889 178.475 177.584 0.003 0.000 1.170 211 A CA 1.422 53.468 52.037 0.014 0.000 0.645 211 A CB -0.078 18.937 19.000 0.026 0.000 0.816 211 A HN 0.780 nan 8.150 nan 0.000 0.447 212 D N -1.042 119.359 120.400 0.001 0.000 2.613 212 D HA 0.137 4.777 4.640 -0.000 0.000 0.312 212 D C 0.944 177.241 176.300 -0.004 0.000 1.202 212 D CA -0.263 53.736 54.000 -0.002 0.000 0.825 212 D CB 0.285 41.085 40.800 0.001 0.000 1.113 212 D HN 0.271 nan 8.370 nan 0.000 0.502 213 K N 0.817 121.211 120.400 -0.010 0.000 2.211 213 K HA -0.161 4.159 4.320 -0.000 0.000 0.204 213 K C 0.473 177.069 176.600 -0.008 0.000 1.047 213 K CA 1.404 57.684 56.287 -0.012 0.000 0.935 213 K CB 0.264 32.752 32.500 -0.020 0.000 0.728 213 K HN 0.238 nan 8.250 nan 0.000 0.452 214 D N -1.317 119.080 120.400 -0.006 0.000 2.340 214 D HA 0.071 4.710 4.640 -0.000 0.000 0.217 214 D C 1.028 177.328 176.300 -0.000 0.000 1.081 214 D CA 0.614 54.612 54.000 -0.002 0.000 0.842 214 D CB 0.044 40.844 40.800 -0.000 0.000 0.934 214 D HN 0.357 nan 8.370 nan 0.000 0.511 215 G N 2.127 110.927 108.800 -0.000 0.000 2.175 215 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.265 215 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.265 215 G C 0.600 175.501 174.900 0.002 0.000 0.979 215 G CA 0.695 45.796 45.100 0.001 0.000 0.663 215 G HN 0.565 nan 8.290 nan 0.000 0.533 216 D N -0.383 120.019 120.400 0.003 0.000 2.328 216 D HA 0.361 5.001 4.640 -0.000 0.000 0.226 216 D C 1.890 178.192 176.300 0.004 0.000 1.066 216 D CA 0.815 54.817 54.000 0.005 0.000 0.861 216 D CB -0.589 40.216 40.800 0.008 0.000 0.912 216 D HN 1.520 nan 8.370 nan 0.000 0.521 217 G N 0.266 109.067 108.800 0.001 0.000 2.284 217 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.247 217 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.247 217 G C 0.229 175.128 174.900 -0.003 0.000 1.012 217 G CA 0.268 45.367 45.100 -0.001 0.000 0.618 217 G HN 0.440 nan 8.290 nan 0.000 0.521 218 I N 1.079 121.650 120.570 0.002 0.000 2.353 218 I HA 0.489 4.659 4.170 -0.000 0.000 0.293 218 I C 1.310 177.427 176.117 -0.000 0.000 0.992 218 I CA -0.591 60.712 61.300 0.004 0.000 1.268 218 I CB 1.300 39.311 38.000 0.018 0.000 1.387 218 I HN 0.082 nan 8.210 nan 0.000 0.478 219 I N 4.222 124.788 120.570 -0.008 0.000 4.049 219 I HA 0.231 4.401 4.170 -0.000 0.000 0.237 219 I C 1.111 177.217 176.117 -0.017 0.000 1.076 219 I CA 0.146 61.440 61.300 -0.010 0.000 1.610 219 I CB -0.115 37.880 38.000 -0.008 0.000 1.544 219 I HN 0.577 nan 8.210 nan 0.000 0.458 220 A N 1.115 123.921 122.820 -0.024 0.000 2.520 220 A HA 0.405 4.725 4.320 -0.000 0.000 0.245 220 A C 1.155 178.722 177.584 -0.028 0.000 1.072 220 A CA 0.540 52.555 52.037 -0.036 0.000 0.761 220 A CB -0.852 18.123 19.000 -0.041 0.000 1.004 220 A HN 0.988 nan 8.150 nan 0.000 0.499 221 G N 1.732 110.495 108.800 -0.061 0.000 2.221 221 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.265 221 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.265 221 G C -0.116 174.788 174.900 0.007 0.000 1.041 221 G CA 0.419 45.477 45.100 -0.070 0.000 0.807 221 G HN 0.994 nan 8.290 nan 0.000 0.502 222 D N -0.008 120.383 120.400 -0.016 0.000 2.280 222 D HA 0.386 5.026 4.640 -0.000 0.000 0.236 222 D C -0.552 175.735 176.300 -0.021 0.000 1.082 222 D CA -1.779 52.228 54.000 0.011 0.000 0.834 222 D CB 1.743 42.548 40.800 0.007 0.000 1.100 222 D HN 0.086 nan 8.370 nan 0.000 0.486 223 P HA -0.075 nan 4.420 nan 0.000 0.220 223 P C 0.435 177.729 177.300 -0.009 0.000 1.148 223 P CA 0.773 63.868 63.100 -0.009 0.000 0.803 223 P CB 0.541 32.267 31.700 0.042 0.000 0.782 224 D N -0.456 119.944 120.400 -0.000 0.000 2.349 224 D HA 0.032 4.672 4.640 -0.000 0.000 0.224 224 D C 0.133 176.421 176.300 -0.020 0.000 1.029 224 D CA 0.763 54.758 54.000 -0.008 0.000 0.879 224 D CB 0.116 40.916 40.800 -0.001 0.000 0.906 224 D HN 0.221 nan 8.370 nan 0.000 0.528 225 D N -0.707 119.678 120.400 -0.024 0.000 2.481 225 D HA 0.370 5.010 4.640 -0.000 0.000 0.244 225 D C 0.293 176.571 176.300 -0.037 0.000 1.057 225 D CA -0.588 53.393 54.000 -0.031 0.000 0.848 225 D CB 2.231 43.018 40.800 -0.021 0.000 1.388 225 D HN -0.155 nan 8.370 nan 0.000 0.475 226 A N 1.118 123.907 122.820 -0.052 0.000 2.251 226 A HA 0.395 4.715 4.320 -0.000 0.000 0.209 226 A C 1.002 178.622 177.584 0.061 0.000 1.187 226 A CA 0.155 52.167 52.037 -0.041 0.000 0.823 226 A CB -0.085 18.801 19.000 -0.190 0.000 0.846 226 A HN 0.565 nan 8.150 nan 0.000 0.486 227 A N 0.377 123.211 122.820 0.024 0.000 2.561 227 A HA 0.488 4.808 4.320 -0.000 0.000 0.234 227 A C 0.942 178.534 177.584 0.013 0.000 1.055 227 A CA 0.309 52.378 52.037 0.054 0.000 0.756 227 A CB -0.282 18.727 19.000 0.015 0.000 0.986 227 A HN 1.296 nan 8.150 nan 0.000 0.505 228 A N 1.632 124.456 122.820 0.006 0.000 2.327 228 A HA 0.485 4.804 4.320 -0.000 0.000 0.255 228 A C 0.682 178.209 177.584 -0.094 0.000 1.099 228 A CA 0.223 52.157 52.037 -0.173 0.000 0.801 228 A CB 0.082 18.976 19.000 -0.176 0.000 1.062 228 A HN 0.851 nan 8.150 nan 0.000 0.496 229 E N -1.148 118.982 120.200 -0.115 0.000 2.447 229 E HA 0.231 4.581 4.350 -0.000 0.000 0.204 229 E C -0.612 175.965 176.600 -0.037 0.000 0.977 229 E CA 0.450 56.807 56.400 -0.071 0.000 0.950 229 E CB 0.817 30.467 29.700 -0.083 0.000 0.975 229 E HN 0.317 nan 8.360 nan 0.000 0.496 230 V N 1.649 121.540 119.914 -0.038 0.000 2.531 230 V HA 0.418 4.538 4.120 -0.000 0.000 0.301 230 V C -0.442 175.664 176.094 0.020 0.000 1.034 230 V CA -0.728 61.572 62.300 -0.001 0.000 0.865 230 V CB 1.946 33.766 31.823 -0.005 0.000 0.995 230 V HN 0.016 nan 8.190 nan 0.000 0.424 231 I N 3.143 123.746 120.570 0.055 0.000 2.321 231 I HA 0.410 4.580 4.170 -0.000 0.000 0.291 231 I C 0.256 176.420 176.117 0.078 0.000 0.998 231 I CA 0.102 61.449 61.300 0.078 0.000 1.227 231 I CB 1.792 39.851 38.000 0.098 0.000 1.368 231 I HN 0.594 nan 8.210 nan 0.000 0.466 232 S N 7.954 123.698 115.700 0.073 0.000 2.498 232 S HA 0.588 5.057 4.470 -0.000 0.000 0.324 232 S C -0.429 174.218 174.600 0.079 0.000 1.071 232 S CA -0.668 57.574 58.200 0.071 0.000 1.113 232 S CB 0.343 63.575 63.200 0.053 0.000 0.976 232 S HN 0.474 nan 8.310 nan 0.000 0.462 233 M N 3.851 123.501 119.600 0.083 0.000 2.044 233 M HA 0.285 4.765 4.480 -0.000 0.000 0.333 233 M C 0.142 176.497 176.300 0.091 0.000 1.004 233 M CA -0.262 55.088 55.300 0.082 0.000 0.954 233 M CB 1.493 34.135 32.600 0.070 0.000 1.468 233 M HN 0.396 nan 8.290 nan 0.000 0.414 234 S N 5.435 121.207 115.700 0.119 0.000 3.149 234 S HA 0.432 4.902 4.470 -0.000 0.000 0.228 234 S C -0.448 174.247 174.600 0.158 0.000 1.393 234 S CA -0.475 57.823 58.200 0.162 0.000 1.224 234 S CB -0.516 62.812 63.200 0.214 0.000 1.112 234 S HN 0.625 nan 8.310 nan 0.000 0.502 235 L N -2.038 119.238 121.223 0.089 0.000 2.582 235 L HA 0.996 5.336 4.340 -0.000 0.000 0.257 235 L C -0.920 175.971 176.870 0.035 0.000 0.974 235 L CA -0.746 54.124 54.840 0.051 0.000 0.851 235 L CB 1.489 43.574 42.059 0.044 0.000 1.424 235 L HN 0.207 nan 8.230 nan 0.000 0.412 236 G N -0.012 108.811 108.800 0.038 0.000 2.753 236 G HA2 0.688 4.648 3.960 -0.000 0.000 0.297 236 G HA3 0.688 4.648 3.960 -0.000 0.000 0.297 236 G C -1.243 173.723 174.900 0.110 0.000 1.430 236 G CA -0.146 44.981 45.100 0.046 0.000 1.040 236 G HN 1.069 nan 8.290 nan 0.000 0.530 237 G N 0.795 109.704 108.800 0.182 0.000 2.619 237 G HA2 0.764 4.724 3.960 -0.000 0.000 0.296 237 G HA3 0.764 4.724 3.960 -0.000 0.000 0.296 237 G C -1.825 173.256 174.900 0.301 0.000 1.334 237 G CA -1.325 43.963 45.100 0.314 0.000 0.934 237 G HN 0.342 nan 8.290 nan 0.000 0.476 238 P HA 0.138 nan 4.420 nan 0.000 0.227 238 P C 0.917 178.284 177.300 0.112 0.000 1.161 238 P CA 0.546 63.744 63.100 0.164 0.000 0.788 238 P CB 0.430 32.161 31.700 0.052 0.000 0.822 239 A N 1.004 123.813 122.820 -0.019 0.000 2.425 239 A HA 0.250 4.570 4.320 -0.000 0.000 0.249 239 A C -0.118 177.357 177.584 -0.181 0.000 1.084 239 A CA -0.038 51.861 52.037 -0.230 0.000 0.781 239 A CB -0.301 18.299 19.000 -0.668 0.000 1.019 239 A HN -0.012 nan 8.150 nan 0.000 0.490 240 D N 1.731 121.878 120.400 -0.423 0.000 2.460 240 D HA 0.337 4.977 4.640 -0.000 0.000 0.232 240 D C -1.187 175.033 176.300 -0.133 0.000 1.079 240 D CA -0.290 53.353 54.000 -0.596 0.000 0.864 240 D CB 0.555 40.828 40.800 -0.878 0.000 1.048 240 D HN 0.391 nan 8.370 nan 0.000 0.523 241 D N 1.420 121.841 120.400 0.034 0.000 2.185 241 D HA 0.065 4.705 4.640 -0.000 0.000 0.247 241 D C 1.156 177.428 176.300 -0.047 0.000 1.027 241 D CA -0.353 53.664 54.000 0.028 0.000 0.861 241 D CB 2.179 43.012 40.800 0.055 0.000 1.202 241 D HN 0.353 nan 8.370 nan 0.000 0.453 242 S N 2.194 117.898 115.700 0.007 0.000 2.387 242 S HA -0.223 4.247 4.470 -0.000 0.000 0.226 242 S C 2.056 176.623 174.600 -0.055 0.000 1.026 242 S CA 0.906 59.119 58.200 0.022 0.000 0.972 242 S CB -0.556 62.673 63.200 0.048 0.000 0.814 242 S HN 0.626 nan 8.310 nan 0.000 0.477 243 Y N 1.542 121.834 120.300 -0.014 0.000 2.207 243 Y HA 0.024 4.574 4.550 -0.000 0.000 0.287 243 Y C 2.152 177.981 175.900 -0.118 0.000 1.156 243 Y CA 1.052 59.090 58.100 -0.103 0.000 1.182 243 Y CB -0.931 37.454 38.460 -0.124 0.000 0.979 243 Y HN 0.316 nan 8.280 nan 0.000 0.521 244 L N -0.387 120.306 121.223 -0.882 0.000 2.027 244 L HA -0.138 4.201 4.340 -0.000 0.000 0.206 244 L C 2.375 179.121 176.870 -0.206 0.000 1.074 244 L CA 1.748 56.302 54.840 -0.478 0.000 0.745 244 L CB -1.542 40.279 42.059 -0.397 0.000 0.898 244 L HN 0.401 nan 8.230 nan 0.000 0.433 245 Y N 0.960 121.020 120.300 -0.399 0.000 2.151 245 Y HA -0.277 4.273 4.550 0.000 0.000 0.284 245 Y C 2.287 177.950 175.900 -0.395 0.000 1.166 245 Y CA 1.843 59.566 58.100 -0.629 0.000 1.163 245 Y CB -0.740 37.328 38.460 -0.653 0.000 0.974 245 Y HN 0.374 nan 8.280 nan 0.000 0.511 246 D N -0.376 119.833 120.400 -0.318 0.000 2.123 246 D HA -0.227 4.413 4.640 -0.000 0.000 0.196 246 D C 2.243 178.410 176.300 -0.223 0.000 0.992 246 D CA 1.757 55.572 54.000 -0.308 0.000 0.833 246 D CB -0.487 40.187 40.800 -0.209 0.000 0.954 246 D HN 0.404 nan 8.370 nan 0.000 0.455 247 M N 0.284 119.774 119.600 -0.183 0.000 2.175 247 M HA -0.074 4.406 4.480 -0.000 0.000 0.264 247 M C 1.677 177.950 176.300 -0.046 0.000 1.063 247 M CA 1.010 56.245 55.300 -0.108 0.000 1.119 247 M CB -0.121 32.420 32.600 -0.098 0.000 1.377 247 M HN -0.086 nan 8.290 nan 0.000 0.415 248 I N -0.082 120.457 120.570 -0.053 0.000 2.264 248 I HA -0.292 3.877 4.170 -0.000 0.000 0.248 248 I C 2.300 178.424 176.117 0.012 0.000 1.111 248 I CA 1.613 62.920 61.300 0.011 0.000 1.382 248 I CB -1.124 36.898 38.000 0.035 0.000 1.060 248 I HN 0.344 nan 8.210 nan 0.000 0.418 249 I N 0.247 120.752 120.570 -0.109 0.000 2.394 249 I HA -0.257 3.913 4.170 -0.000 0.000 0.251 249 I C 2.643 178.776 176.117 0.027 0.000 1.136 249 I CA 0.845 62.101 61.300 -0.074 0.000 1.425 249 I CB -0.254 37.579 38.000 -0.279 0.000 1.079 249 I HN 0.249 nan 8.210 nan 0.000 0.425 250 Q N 0.505 120.301 119.800 -0.007 0.000 2.046 250 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 250 Q C 2.517 178.546 176.000 0.048 0.000 0.975 250 Q CA 1.833 57.646 55.803 0.017 0.000 0.836 250 Q CB -0.540 28.204 28.738 0.010 0.000 0.896 250 Q HN 0.559 nan 8.270 nan 0.000 0.428 251 A N 0.332 123.194 122.820 0.070 0.000 1.858 251 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 251 A C 2.057 179.703 177.584 0.103 0.000 1.190 251 A CA 1.563 53.652 52.037 0.087 0.000 0.617 251 A CB -1.148 17.915 19.000 0.104 0.000 0.827 251 A HN 0.404 nan 8.150 nan 0.000 0.443 252 Y N 1.599 121.909 120.300 0.016 0.000 2.081 252 Y HA -0.316 4.234 4.550 -0.000 0.000 0.280 252 Y C 2.186 178.089 175.900 0.005 0.000 1.163 252 Y CA 2.435 60.546 58.100 0.017 0.000 1.135 252 Y CB -0.503 37.970 38.460 0.022 0.000 0.970 252 Y HN 0.357 nan 8.280 nan 0.000 0.498 253 N N 0.316 119.034 118.700 0.030 0.000 2.192 253 N HA -0.173 4.566 4.740 -0.000 0.000 0.188 253 N C 1.593 177.042 175.510 -0.102 0.000 1.013 253 N CA 1.415 54.421 53.050 -0.074 0.000 0.863 253 N CB -0.707 37.789 38.487 0.016 0.000 0.990 253 N HN 0.521 nan 8.380 nan 0.000 0.430 254 A N -0.422 122.363 122.820 -0.060 0.000 2.238 254 A HA 0.405 4.724 4.320 -0.000 0.000 0.208 254 A C 1.329 178.867 177.584 -0.075 0.000 1.177 254 A CA 0.693 52.701 52.037 -0.048 0.000 0.804 254 A CB -0.506 18.489 19.000 -0.010 0.000 0.823 254 A HN 0.321 nan 8.150 nan 0.000 0.482 255 G N -0.718 107.996 108.800 -0.144 0.000 2.149 255 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.235 255 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.235 255 G C -0.107 174.734 174.900 -0.098 0.000 1.018 255 G CA 0.209 45.215 45.100 -0.157 0.000 0.728 255 G HN 0.491 nan 8.290 nan 0.000 0.508 256 I N 0.449 120.982 120.570 -0.062 0.000 2.377 256 I HA 0.414 4.584 4.170 -0.000 0.000 0.293 256 I C 0.564 176.704 176.117 0.039 0.000 0.987 256 I CA -1.232 60.066 61.300 -0.004 0.000 1.185 256 I CB 1.931 39.948 38.000 0.028 0.000 1.341 256 I HN -0.134 nan 8.210 nan 0.000 0.455 257 V N 7.378 127.315 119.914 0.038 0.000 2.461 257 V HA 0.312 4.432 4.120 -0.000 0.000 0.275 257 V C 0.213 176.367 176.094 0.099 0.000 1.047 257 V CA -0.213 62.132 62.300 0.076 0.000 0.955 257 V CB 1.069 32.917 31.823 0.042 0.000 0.988 257 V HN 0.440 nan 8.190 nan 0.000 0.471 258 I N 5.627 126.283 120.570 0.143 0.000 2.354 258 I HA 0.533 4.703 4.170 -0.000 0.000 0.292 258 I C -0.486 175.709 176.117 0.131 0.000 0.989 258 I CA -0.631 60.750 61.300 0.135 0.000 1.188 258 I CB 1.735 39.831 38.000 0.160 0.000 1.342 258 I HN 0.257 nan 8.210 nan 0.000 0.457 259 V N 4.928 124.908 119.914 0.111 0.000 2.604 259 V HA 0.904 5.024 4.120 -0.000 0.000 0.305 259 V C -0.051 176.102 176.094 0.099 0.000 1.043 259 V CA -0.477 61.888 62.300 0.108 0.000 0.888 259 V CB 1.584 33.463 31.823 0.094 0.000 0.995 259 V HN 0.895 nan 8.190 nan 0.000 0.429 260 A N 2.876 125.754 122.820 0.096 0.000 2.587 260 A HA 0.950 5.270 4.320 -0.000 0.000 0.293 260 A C -0.309 177.319 177.584 0.074 0.000 1.087 260 A CA -0.306 51.778 52.037 0.078 0.000 0.692 260 A CB 1.630 20.666 19.000 0.061 0.000 1.291 260 A HN 1.541 nan 8.150 nan 0.000 0.407 261 A N 0.674 123.537 122.820 0.072 0.000 2.440 261 A HA 0.490 4.810 4.320 -0.000 0.000 0.251 261 A C 1.443 179.056 177.584 0.049 0.000 1.089 261 A CA 0.412 52.496 52.037 0.079 0.000 0.779 261 A CB -0.067 18.991 19.000 0.097 0.000 1.022 261 A HN 2.083 nan 8.150 nan 0.000 0.492 262 S N 2.454 118.185 115.700 0.052 0.000 2.423 262 S HA 0.349 4.819 4.470 -0.000 0.000 0.231 262 S C 1.061 175.667 174.600 0.010 0.000 1.014 262 S CA 0.959 59.169 58.200 0.016 0.000 0.965 262 S CB -0.749 62.462 63.200 0.018 0.000 0.785 262 S HN 2.706 nan 8.310 nan 0.000 0.495 263 G N 0.492 109.324 108.800 0.053 0.000 2.515 263 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.686 263 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.686 263 G C -0.766 174.202 174.900 0.113 0.000 1.274 263 G CA -0.355 44.780 45.100 0.059 0.000 0.874 263 G HN 0.221 nan 8.290 nan 0.000 0.631 264 N N -0.100 118.663 118.700 0.106 0.000 2.351 264 N HA 0.255 4.995 4.740 -0.000 0.000 0.254 264 N C 0.684 176.274 175.510 0.133 0.000 1.241 264 N CA 0.060 53.212 53.050 0.170 0.000 0.883 264 N CB 1.207 39.684 38.487 -0.017 0.000 1.202 264 N HN 0.593 nan 8.380 nan 0.000 0.512 265 E N -0.369 119.889 120.200 0.096 0.000 2.481 265 E HA 0.250 4.599 4.350 -0.000 0.000 0.198 265 E C 0.943 177.581 176.600 0.064 0.000 1.027 265 E CA -0.121 56.318 56.400 0.065 0.000 0.900 265 E CB 0.221 29.943 29.700 0.037 0.000 0.993 265 E HN 0.257 nan 8.360 nan 0.000 0.482 266 G N 0.978 109.825 108.800 0.080 0.000 2.305 266 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.287 266 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.287 266 G C 0.348 175.254 174.900 0.010 0.000 1.036 266 G CA 0.269 45.392 45.100 0.038 0.000 0.887 266 G HN 0.487 nan 8.290 nan 0.000 0.505 267 A N 0.046 122.869 122.820 0.006 0.000 2.271 267 A HA 0.858 5.178 4.320 -0.000 0.000 0.288 267 A C -0.308 177.263 177.584 -0.021 0.000 1.094 267 A CA -0.885 51.147 52.037 -0.008 0.000 0.828 267 A CB 1.013 20.007 19.000 -0.009 0.000 1.091 267 A HN 0.136 nan 8.150 nan 0.000 0.493 268 P HA 0.064 nan 4.420 nan 0.000 0.249 268 P C 0.029 177.314 177.300 -0.025 0.000 1.229 268 P CA 0.860 63.947 63.100 -0.023 0.000 0.788 268 P CB 0.130 31.820 31.700 -0.017 0.000 1.072 269 S N -2.242 113.433 115.700 -0.041 0.000 2.656 269 S HA 0.658 5.127 4.470 -0.000 0.000 0.273 269 S C -3.324 171.218 174.600 -0.097 0.000 1.168 269 S CA -1.901 56.263 58.200 -0.060 0.000 0.817 269 S CB 1.120 64.274 63.200 -0.076 0.000 1.146 269 S HN -0.276 nan 8.310 nan 0.000 0.475 270 P HA 0.357 nan 4.420 nan 0.000 0.272 270 P C -0.408 176.718 177.300 -0.290 0.000 1.230 270 P CA -0.225 62.769 63.100 -0.177 0.000 0.788 270 P CB 0.436 32.023 31.700 -0.188 0.000 0.949 271 S N 0.334 115.895 115.700 -0.231 0.000 2.655 271 S HA 0.304 4.774 4.470 -0.000 0.000 0.265 271 S C -0.368 173.934 174.600 -0.496 0.000 1.240 271 S CA -0.242 57.792 58.200 -0.276 0.000 0.986 271 S CB -0.091 63.063 63.200 -0.078 0.000 0.985 271 S HN 0.253 nan 8.310 nan 0.000 0.562 272 Y N 1.812 122.007 120.300 -0.174 0.000 2.310 272 Y HA 0.315 4.864 4.550 -0.000 0.000 0.326 272 Y C -1.274 174.505 175.900 -0.202 0.000 1.151 272 Y CA -1.995 55.918 58.100 -0.313 0.000 1.195 272 Y CB 0.585 38.825 38.460 -0.366 0.000 1.210 272 Y HN 0.456 nan 8.280 nan 0.000 0.483 273 P HA 0.021 nan 4.420 nan 0.000 0.255 273 P C 0.867 178.094 177.300 -0.121 0.000 1.248 273 P CA 0.878 63.948 63.100 -0.050 0.000 0.807 273 P CB 0.247 32.034 31.700 0.144 0.000 1.150 274 A N 1.554 124.291 122.820 -0.140 0.000 1.948 274 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 274 A C 2.399 179.866 177.584 -0.194 0.000 1.177 274 A CA 2.149 54.122 52.037 -0.106 0.000 0.636 274 A CB -1.498 17.455 19.000 -0.078 0.000 0.815 274 A HN 0.261 nan 8.150 nan 0.000 0.449 275 A N -1.733 120.801 122.820 -0.477 0.000 2.121 275 A HA 0.176 4.496 4.320 -0.000 0.000 0.218 275 A C 0.658 178.046 177.584 -0.326 0.000 1.154 275 A CA 0.261 51.977 52.037 -0.534 0.000 0.679 275 A CB -0.520 17.864 19.000 -1.026 0.000 0.795 275 A HN 0.459 nan 8.150 nan 0.000 0.458 276 Y N -0.272 119.947 120.300 -0.135 0.000 2.480 276 Y HA 0.189 4.739 4.550 -0.000 0.000 0.338 276 Y C -1.126 174.718 175.900 -0.094 0.000 1.220 276 Y CA -1.667 56.350 58.100 -0.139 0.000 1.430 276 Y CB -0.111 38.270 38.460 -0.130 0.000 1.311 276 Y HN 0.090 nan 8.280 nan 0.000 0.575 277 P HA -0.143 nan 4.420 nan 0.000 0.218 277 P C 0.684 177.988 177.300 0.007 0.000 1.148 277 P CA 1.447 64.561 63.100 0.024 0.000 0.822 277 P CB 0.355 32.057 31.700 0.004 0.000 0.784 278 E N -0.977 119.197 120.200 -0.043 0.000 2.409 278 E HA -0.013 4.336 4.350 -0.000 0.000 0.198 278 E C 0.354 177.003 176.600 0.081 0.000 1.024 278 E CA 0.461 56.765 56.400 -0.160 0.000 0.861 278 E CB -0.335 29.227 29.700 -0.231 0.000 0.788 278 E HN 0.125 nan 8.360 nan 0.000 0.521 279 V N 1.144 121.144 119.914 0.143 0.000 2.555 279 V HA 0.297 4.417 4.120 -0.000 0.000 0.302 279 V C 0.022 176.220 176.094 0.174 0.000 1.038 279 V CA -0.864 61.536 62.300 0.167 0.000 0.887 279 V CB 1.893 33.820 31.823 0.174 0.000 0.991 279 V HN -0.005 nan 8.190 nan 0.000 0.434 280 I N 4.075 124.755 120.570 0.184 0.000 2.329 280 I HA 0.363 4.532 4.170 -0.000 0.000 0.295 280 I C 1.003 177.223 176.117 0.172 0.000 1.109 280 I CA 0.273 61.702 61.300 0.214 0.000 1.297 280 I CB 0.766 38.888 38.000 0.203 0.000 1.433 280 I HN 0.753 nan 8.210 nan 0.000 0.509 281 A N 6.742 129.663 122.820 0.169 0.000 2.477 281 A HA 0.476 4.796 4.320 -0.000 0.000 0.246 281 A C -0.109 177.562 177.584 0.144 0.000 1.078 281 A CA -0.103 52.004 52.037 0.117 0.000 0.770 281 A CB 0.230 19.283 19.000 0.088 0.000 1.011 281 A HN 0.486 nan 8.150 nan 0.000 0.494 282 V N 2.614 122.594 119.914 0.110 0.000 2.531 282 V HA 0.648 4.767 4.120 -0.000 0.000 0.301 282 V C 0.772 176.917 176.094 0.084 0.000 1.034 282 V CA -0.066 62.302 62.300 0.113 0.000 0.865 282 V CB 1.637 33.529 31.823 0.115 0.000 0.995 282 V HN 1.197 nan 8.190 nan 0.000 0.424 283 G N 2.572 111.411 108.800 0.064 0.000 2.434 283 G HA2 0.694 4.654 3.960 -0.000 0.000 0.330 283 G HA3 0.694 4.654 3.960 -0.000 0.000 0.330 283 G C -0.447 174.456 174.900 0.005 0.000 1.155 283 G CA -0.430 44.680 45.100 0.017 0.000 0.917 283 G HN 1.082 nan 8.290 nan 0.000 0.493 284 A N 0.804 123.599 122.820 -0.042 0.000 2.260 284 A HA 0.641 4.961 4.320 -0.000 0.000 0.308 284 A C 0.172 177.681 177.584 -0.125 0.000 1.254 284 A CA -0.586 51.423 52.037 -0.045 0.000 0.874 284 A CB 0.040 19.057 19.000 0.027 0.000 1.153 284 A HN 1.072 nan 8.150 nan 0.000 0.527 285 I N 0.159 120.722 120.570 -0.012 0.000 2.577 285 I HA 0.741 4.911 4.170 -0.000 0.000 0.305 285 I C -0.124 176.082 176.117 0.149 0.000 0.986 285 I CA -0.933 60.393 61.300 0.043 0.000 1.189 285 I CB 1.524 39.618 38.000 0.158 0.000 1.355 285 I HN 0.627 nan 8.210 nan 0.000 0.476 286 D N 2.157 122.619 120.400 0.104 0.000 2.539 286 D HA 0.225 4.865 4.640 -0.000 0.000 0.276 286 D C 0.754 177.030 176.300 -0.040 0.000 1.206 286 D CA -0.341 53.724 54.000 0.109 0.000 1.081 286 D CB 0.582 41.362 40.800 -0.034 0.000 1.142 286 D HN 0.626 nan 8.370 nan 0.000 0.595 287 S N -1.553 113.788 115.700 -0.599 0.000 2.701 287 S HA 0.045 4.515 4.470 -0.000 0.000 0.220 287 S C 0.391 174.679 174.600 -0.521 0.000 0.954 287 S CA -0.279 57.157 58.200 -1.274 0.000 0.936 287 S CB -0.678 61.431 63.200 -1.818 0.000 0.777 287 S HN 0.388 nan 8.310 nan 0.000 0.518 288 N N 1.382 119.929 118.700 -0.254 0.000 2.187 288 N HA 0.170 4.910 4.740 -0.000 0.000 0.212 288 N C -0.783 174.700 175.510 -0.045 0.000 1.152 288 N CA 0.085 53.055 53.050 -0.133 0.000 0.872 288 N CB 0.228 38.653 38.487 -0.103 0.000 1.025 288 N HN 0.142 nan 8.380 nan 0.000 0.514 289 D N -0.131 120.272 120.400 0.005 0.000 2.911 289 D HA -0.201 4.439 4.640 -0.000 0.000 0.227 289 D C -0.832 175.556 176.300 0.147 0.000 1.164 289 D CA 0.881 54.935 54.000 0.090 0.000 0.782 289 D CB -2.027 38.802 40.800 0.047 0.000 1.094 289 D HN 0.453 nan 8.370 nan 0.000 0.425 290 N N -0.069 118.676 118.700 0.074 0.000 2.518 290 N HA 0.401 5.141 4.740 -0.000 0.000 0.283 290 N C 0.196 175.680 175.510 -0.043 0.000 1.119 290 N CA -0.755 52.322 53.050 0.045 0.000 0.983 290 N CB 0.935 39.407 38.487 -0.024 0.000 1.139 290 N HN 0.042 nan 8.380 nan 0.000 0.465 291 I N 2.215 122.646 120.570 -0.231 0.000 2.741 291 I HA -0.015 4.155 4.170 -0.000 0.000 0.288 291 I C 0.202 176.122 176.117 -0.327 0.000 1.192 291 I CA 0.194 61.256 61.300 -0.398 0.000 1.426 291 I CB -0.225 37.374 38.000 -0.669 0.000 1.367 291 I HN 0.621 nan 8.210 nan 0.000 0.563 292 A N 5.424 127.989 122.820 -0.424 0.000 2.450 292 A HA 0.291 4.611 4.320 -0.000 0.000 0.255 292 A C 1.389 178.656 177.584 -0.528 0.000 1.096 292 A CA 0.357 52.044 52.037 -0.583 0.000 0.778 292 A CB -0.043 18.243 19.000 -1.189 0.000 1.031 292 A HN 0.977 nan 8.150 nan 0.000 0.494 293 S N 2.782 118.305 115.700 -0.294 0.000 2.392 293 S HA -0.310 4.159 4.470 -0.000 0.000 0.232 293 S C 1.536 176.100 174.600 -0.061 0.000 1.041 293 S CA 2.019 60.134 58.200 -0.142 0.000 1.026 293 S CB -1.099 62.080 63.200 -0.034 0.000 0.845 293 S HN 1.331 nan 8.310 nan 0.000 0.465 294 F N 2.580 122.520 119.950 -0.017 0.000 2.250 294 F HA 0.197 4.724 4.527 -0.000 0.000 0.301 294 F C 1.206 176.992 175.800 -0.025 0.000 1.077 294 F CA 0.252 58.245 58.000 -0.012 0.000 1.348 294 F CB -1.372 37.628 39.000 -0.001 0.000 1.040 294 F HN 0.164 nan 8.300 nan 0.000 0.509 295 S N 1.610 117.190 115.700 -0.200 0.000 2.544 295 S HA 0.017 4.487 4.470 -0.000 0.000 0.290 295 S C 0.075 174.659 174.600 -0.026 0.000 1.276 295 S CA -0.447 57.694 58.200 -0.097 0.000 1.075 295 S CB -0.750 62.281 63.200 -0.281 0.000 0.849 295 S HN 0.527 nan 8.310 nan 0.000 0.494 296 N N 3.579 122.294 118.700 0.025 0.000 2.458 296 N HA 0.078 4.818 4.740 -0.000 0.000 0.258 296 N C 0.201 175.684 175.510 -0.045 0.000 1.219 296 N CA -0.540 52.504 53.050 -0.009 0.000 0.902 296 N CB 0.425 38.907 38.487 -0.008 0.000 1.076 296 N HN 0.435 nan 8.380 nan 0.000 0.455 297 R N 1.259 121.726 120.500 -0.053 0.000 2.652 297 R HA 0.101 4.441 4.340 -0.000 0.000 0.272 297 R C 0.300 176.589 176.300 -0.018 0.000 1.162 297 R CA -0.249 55.808 56.100 -0.070 0.000 1.199 297 R CB -0.235 30.022 30.300 -0.071 0.000 1.166 297 R HN 0.650 nan 8.270 nan 0.000 0.597 298 Q N -1.368 118.438 119.800 0.011 0.000 2.453 298 Q HA -0.166 4.174 4.340 -0.000 0.000 0.294 298 Q C -1.974 174.181 176.000 0.258 0.000 1.295 298 Q CA 0.265 56.209 55.803 0.236 0.000 0.853 298 Q CB -1.670 27.222 28.738 0.257 0.000 1.193 298 Q HN 0.439 nan 8.270 nan 0.000 0.461 299 P HA -0.037 nan 4.420 nan 0.000 0.272 299 P C 0.429 177.982 177.300 0.423 0.000 1.240 299 P CA 0.123 63.333 63.100 0.184 0.000 0.791 299 P CB 0.722 32.466 31.700 0.072 0.000 0.978 300 E N 0.156 120.624 120.200 0.446 0.000 2.076 300 E HA -0.002 4.348 4.350 -0.000 0.000 0.190 300 E C 0.476 177.369 176.600 0.489 0.000 0.979 300 E CA 0.729 57.505 56.400 0.628 0.000 0.807 300 E CB 0.215 30.244 29.700 0.550 0.000 0.761 300 E HN 0.357 nan 8.360 nan 0.000 0.454 301 V N -2.361 117.743 119.914 0.318 0.000 3.202 301 V HA 0.671 4.791 4.120 -0.000 0.000 0.306 301 V C -0.773 175.417 176.094 0.160 0.000 1.283 301 V CA -0.477 61.972 62.300 0.248 0.000 1.065 301 V CB 1.733 33.701 31.823 0.242 0.000 1.079 301 V HN 0.142 nan 8.190 nan 0.000 0.448 302 S N -0.345 115.436 115.700 0.135 0.000 2.651 302 S HA 1.060 5.529 4.470 -0.000 0.000 0.279 302 S C -0.402 174.245 174.600 0.078 0.000 1.148 302 S CA -0.315 57.944 58.200 0.099 0.000 0.837 302 S CB 1.674 64.933 63.200 0.100 0.000 1.138 302 S HN 2.670 nan 8.310 nan 0.000 0.478 303 A N 0.052 122.893 122.820 0.034 0.000 2.566 303 A HA 0.843 5.163 4.320 -0.000 0.000 0.290 303 A C -3.472 174.025 177.584 -0.145 0.000 1.071 303 A CA -1.488 50.518 52.037 -0.052 0.000 0.658 303 A CB 0.361 19.366 19.000 0.008 0.000 1.285 303 A HN 0.553 nan 8.150 nan 0.000 0.427 304 P HA 0.306 nan 4.420 nan 0.000 0.263 304 P C 0.694 177.823 177.300 -0.284 0.000 1.195 304 P CA 1.046 63.843 63.100 -0.505 0.000 0.762 304 P CB 0.802 31.721 31.700 -1.301 0.000 0.799 305 G N 2.009 110.831 108.800 0.036 0.000 3.581 305 G HA2 0.218 4.178 3.960 -0.000 0.000 0.248 305 G HA3 0.218 4.178 3.960 -0.000 0.000 0.248 305 G C -0.601 174.469 174.900 0.283 0.000 1.037 305 G CA 0.123 45.321 45.100 0.162 0.000 0.902 305 G HN 0.544 nan 8.290 nan 0.000 0.512 306 V N 0.468 120.576 119.914 0.323 0.000 2.443 306 V HA 0.568 4.688 4.120 -0.000 0.000 0.293 306 V C -1.454 174.829 176.094 0.316 0.000 1.021 306 V CA -0.664 61.806 62.300 0.282 0.000 0.848 306 V CB 1.157 33.112 31.823 0.221 0.000 0.998 306 V HN 0.292 nan 8.190 nan 0.000 0.424 307 D N 5.760 126.283 120.400 0.205 0.000 3.241 307 D HA -0.122 4.518 4.640 -0.000 0.000 0.248 307 D C -0.471 176.059 176.300 0.383 0.000 1.093 307 D CA 0.633 54.775 54.000 0.236 0.000 0.940 307 D CB -0.771 40.115 40.800 0.143 0.000 0.980 307 D HN 0.445 nan 8.370 nan 0.000 0.421 308 I N 1.559 122.294 120.570 0.275 0.000 2.359 308 I HA 0.245 4.415 4.170 -0.000 0.000 0.284 308 I C 0.636 176.925 176.117 0.286 0.000 1.018 308 I CA -0.963 60.481 61.300 0.240 0.000 1.173 308 I CB 1.012 39.163 38.000 0.251 0.000 1.326 308 I HN 0.160 nan 8.210 nan 0.000 0.462 309 L N 6.087 127.431 121.223 0.201 0.000 2.397 309 L HA 0.551 4.890 4.340 -0.000 0.000 0.271 309 L C 0.274 177.155 176.870 0.019 0.000 1.148 309 L CA 1.089 56.038 54.840 0.183 0.000 0.825 309 L CB 1.057 43.200 42.059 0.141 0.000 1.117 309 L HN 0.724 nan 8.230 nan 0.000 0.456 310 S N 1.147 116.825 115.700 -0.037 0.000 2.655 310 S HA 0.531 5.001 4.470 -0.000 0.000 0.266 310 S C -0.901 173.718 174.600 0.032 0.000 1.149 310 S CA -0.141 57.907 58.200 -0.252 0.000 0.818 310 S CB 0.611 63.256 63.200 -0.925 0.000 1.130 310 S HN 1.005 nan 8.310 nan 0.000 0.476 311 T N 0.661 115.181 114.554 -0.056 0.000 2.932 311 T HA 0.485 4.835 4.350 -0.000 0.000 0.312 311 T C -0.742 173.936 174.700 -0.035 0.000 1.071 311 T CA 0.230 62.197 62.100 -0.220 0.000 1.128 311 T CB 0.238 68.744 68.868 -0.602 0.000 0.984 311 T HN 0.572 nan 8.240 nan 0.000 0.549 312 Y N 1.718 121.900 120.300 -0.198 0.000 2.552 312 Y HA 0.464 5.014 4.550 -0.000 0.000 0.337 312 Y C -2.748 173.142 175.900 -0.016 0.000 1.094 312 Y CA -2.386 55.696 58.100 -0.031 0.000 1.028 312 Y CB 2.472 40.958 38.460 0.043 0.000 1.321 312 Y HN 0.523 nan 8.280 nan 0.000 0.456 313 P HA 0.252 nan 4.420 nan 0.000 0.276 313 P C -1.353 175.977 177.300 0.051 0.000 1.261 313 P CA 0.250 63.354 63.100 0.006 0.000 0.800 313 P CB 0.542 32.181 31.700 -0.102 0.000 1.066 314 D N -0.031 120.362 120.400 -0.011 0.000 3.061 314 D HA -0.142 4.498 4.640 -0.000 0.000 0.252 314 D C -0.329 175.881 176.300 -0.150 0.000 1.080 314 D CA 0.835 54.792 54.000 -0.071 0.000 0.871 314 D CB -2.023 38.756 40.800 -0.034 0.000 1.018 314 D HN 0.627 nan 8.370 nan 0.000 0.425 315 D N -0.699 119.491 120.400 -0.351 0.000 2.745 315 D HA -0.249 4.391 4.640 -0.000 0.000 0.225 315 D C -0.521 175.508 176.300 -0.451 0.000 1.212 315 D CA 1.685 55.248 54.000 -0.729 0.000 0.632 315 D CB -0.453 40.103 40.800 -0.407 0.000 0.994 315 D HN 0.337 nan 8.370 nan 0.000 0.407 316 S N -0.481 115.078 115.700 -0.236 0.000 2.745 316 S HA 0.828 5.298 4.470 -0.000 0.000 0.306 316 S C -1.218 173.050 174.600 -0.553 0.000 1.137 316 S CA -0.699 57.386 58.200 -0.191 0.000 0.900 316 S CB 0.901 64.107 63.200 0.011 0.000 1.176 316 S HN 0.165 nan 8.310 nan 0.000 0.520 317 Y N 0.312 120.749 120.300 0.228 0.000 2.545 317 Y HA 0.773 5.323 4.550 -0.000 0.000 0.348 317 Y C -0.144 175.832 175.900 0.127 0.000 1.002 317 Y CA -0.629 57.583 58.100 0.186 0.000 1.039 317 Y CB 2.035 40.569 38.460 0.124 0.000 1.271 317 Y HN 0.761 nan 8.280 nan 0.000 0.467 318 E N -0.482 119.884 120.200 0.277 0.000 2.396 318 E HA 0.471 4.821 4.350 -0.000 0.000 0.280 318 E C -1.782 174.968 176.600 0.249 0.000 1.065 318 E CA -0.657 55.796 56.400 0.088 0.000 0.831 318 E CB 1.756 31.208 29.700 -0.414 0.000 1.272 318 E HN 0.497 nan 8.360 nan 0.000 0.443 319 T N 2.735 117.354 114.554 0.108 0.000 2.771 319 T HA 0.660 5.010 4.350 -0.000 0.000 0.281 319 T C -0.502 174.191 174.700 -0.011 0.000 0.982 319 T CA -0.495 61.701 62.100 0.160 0.000 0.978 319 T CB 0.120 69.052 68.868 0.107 0.000 0.930 319 T HN 0.279 nan 8.240 nan 0.000 0.447 320 L N 3.487 124.673 121.223 -0.061 0.000 2.283 320 L HA 0.770 5.110 4.340 -0.000 0.000 0.259 320 L C -0.281 176.557 176.870 -0.053 0.000 1.027 320 L CA -1.357 53.366 54.840 -0.194 0.000 0.828 320 L CB 2.027 43.798 42.059 -0.481 0.000 1.380 320 L HN 0.597 nan 8.230 nan 0.000 0.425 321 M N -0.089 119.454 119.600 -0.095 0.000 2.619 321 M HA 0.982 5.462 4.480 -0.000 0.000 0.297 321 M C -0.338 175.894 176.300 -0.114 0.000 1.229 321 M CA -0.577 54.692 55.300 -0.052 0.000 0.860 321 M CB 2.564 35.083 32.600 -0.135 0.000 1.741 321 M HN 0.618 nan 8.290 nan 0.000 0.462 322 G N 0.241 109.047 108.800 0.011 0.000 2.334 322 G HA2 0.077 4.037 3.960 -0.000 0.000 0.566 322 G HA3 0.077 4.037 3.960 -0.000 0.000 0.566 322 G C -0.025 175.020 174.900 0.242 0.000 1.413 322 G CA -0.220 44.849 45.100 -0.050 0.000 0.993 322 G HN 1.168 nan 8.290 nan 0.000 0.642 323 T N -1.696 113.024 114.554 0.276 0.000 3.051 323 T HA 0.259 4.609 4.350 -0.000 0.000 0.269 323 T C 2.373 177.173 174.700 0.166 0.000 1.127 323 T CA 1.949 64.185 62.100 0.226 0.000 1.107 323 T CB 0.012 68.992 68.868 0.186 0.000 0.898 323 T HN 1.856 nan 8.240 nan 0.000 0.517 324 A N 1.101 124.019 122.820 0.163 0.000 2.014 324 A HA 0.229 4.549 4.320 -0.000 0.000 0.218 324 A C 2.151 179.809 177.584 0.123 0.000 1.163 324 A CA 1.029 53.166 52.037 0.167 0.000 0.652 324 A CB -0.557 18.618 19.000 0.291 0.000 0.808 324 A HN 0.438 nan 8.150 nan 0.000 0.449 325 M N -0.384 119.302 119.600 0.144 0.000 2.236 325 M HA 0.147 4.626 4.480 -0.000 0.000 0.266 325 M C 2.278 178.728 176.300 0.250 0.000 1.070 325 M CA 1.299 56.706 55.300 0.178 0.000 1.137 325 M CB -0.710 32.008 32.600 0.198 0.000 1.378 325 M HN 0.383 nan 8.290 nan 0.000 0.426 326 A N -1.101 121.840 122.820 0.203 0.000 2.014 326 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 326 A C 2.261 179.966 177.584 0.203 0.000 1.163 326 A CA 1.781 53.926 52.037 0.179 0.000 0.652 326 A CB -1.022 18.038 19.000 0.101 0.000 0.808 326 A HN 0.439 nan 8.150 nan 0.000 0.449 327 T N 0.885 115.534 114.554 0.158 0.000 2.701 327 T HA -0.065 4.285 4.350 -0.000 0.000 0.263 327 T C -0.333 174.424 174.700 0.094 0.000 1.040 327 T CA 1.638 63.811 62.100 0.121 0.000 1.147 327 T CB -1.014 67.917 68.868 0.106 0.000 0.865 327 T HN 0.447 nan 8.240 nan 0.000 0.426 328 P HA -0.115 nan 4.420 nan 0.000 0.221 328 P C 0.703 177.947 177.300 -0.095 0.000 1.145 328 P CA 1.360 64.441 63.100 -0.033 0.000 0.795 328 P CB -0.156 31.490 31.700 -0.090 0.000 0.775 329 H N -0.630 118.435 119.070 -0.007 0.000 2.357 329 H HA -0.059 4.497 4.556 -0.000 0.000 0.301 329 H C 1.995 177.327 175.328 0.008 0.000 1.082 329 H CA 1.374 57.412 56.048 -0.017 0.000 1.342 329 H CB -0.651 29.084 29.762 -0.046 0.000 1.389 329 H HN -0.095 nan 8.280 nan 0.000 0.511 330 V N -0.523 119.470 119.914 0.132 0.000 2.488 330 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 330 V C 2.203 178.336 176.094 0.065 0.000 1.046 330 V CA 1.663 64.022 62.300 0.099 0.000 1.053 330 V CB -0.270 31.618 31.823 0.109 0.000 0.679 330 V HN 0.371 nan 8.190 nan 0.000 0.458 331 S N 0.888 116.618 115.700 0.050 0.000 2.356 331 S HA -0.118 4.351 4.470 -0.000 0.000 0.223 331 S C 2.147 176.757 174.600 0.017 0.000 1.032 331 S CA 1.420 59.638 58.200 0.031 0.000 1.005 331 S CB -0.750 62.463 63.200 0.022 0.000 0.867 331 S HN 0.669 nan 8.310 nan 0.000 0.449 332 G N 1.607 110.411 108.800 0.006 0.000 2.476 332 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 332 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 332 G C 1.478 176.405 174.900 0.045 0.000 1.164 332 G CA 1.209 46.317 45.100 0.014 0.000 0.768 332 G HN 0.415 nan 8.290 nan 0.000 0.560 333 V N 0.760 120.704 119.914 0.051 0.000 2.287 333 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 333 V C 3.032 179.150 176.094 0.040 0.000 1.053 333 V CA 1.767 64.099 62.300 0.052 0.000 1.027 333 V CB -0.579 31.274 31.823 0.051 0.000 0.646 333 V HN 0.351 nan 8.190 nan 0.000 0.447 334 V N 0.573 120.506 119.914 0.031 0.000 2.392 334 V HA -0.253 3.866 4.120 -0.000 0.000 0.249 334 V C 2.428 178.533 176.094 0.018 0.000 1.059 334 V CA 2.496 64.807 62.300 0.019 0.000 1.051 334 V CB -0.761 31.068 31.823 0.011 0.000 0.658 334 V HN 0.456 nan 8.190 nan 0.000 0.455 335 A N 0.130 122.961 122.820 0.019 0.000 1.930 335 A HA -0.018 4.302 4.320 -0.000 0.000 0.217 335 A C 2.185 179.793 177.584 0.040 0.000 1.175 335 A CA 1.894 53.938 52.037 0.013 0.000 0.627 335 A CB -0.613 18.385 19.000 -0.003 0.000 0.815 335 A HN 0.633 nan 8.150 nan 0.000 0.443 336 L N -0.574 120.686 121.223 0.062 0.000 2.012 336 L HA -0.221 4.118 4.340 -0.000 0.000 0.210 336 L C 2.490 179.414 176.870 0.090 0.000 1.073 336 L CA 1.456 56.350 54.840 0.090 0.000 0.748 336 L CB -0.678 41.448 42.059 0.111 0.000 0.891 336 L HN 0.369 nan 8.230 nan 0.000 0.431 337 I N -0.787 119.825 120.570 0.071 0.000 2.127 337 I HA -0.291 3.878 4.170 -0.000 0.000 0.241 337 I C 2.827 179.018 176.117 0.123 0.000 1.075 337 I CA 1.237 62.584 61.300 0.078 0.000 1.334 337 I CB -0.361 37.652 38.000 0.022 0.000 1.040 337 I HN 0.336 nan 8.210 nan 0.000 0.405 338 Q N 0.588 120.440 119.800 0.086 0.000 2.079 338 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 338 Q C 2.463 178.574 176.000 0.185 0.000 0.974 338 Q CA 1.742 57.616 55.803 0.118 0.000 0.840 338 Q CB -0.588 28.175 28.738 0.042 0.000 0.898 338 Q HN 0.566 nan 8.270 nan 0.000 0.430 339 A N 1.560 124.452 122.820 0.120 0.000 1.869 339 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 339 A C 2.380 180.067 177.584 0.171 0.000 1.203 339 A CA 2.692 54.802 52.037 0.123 0.000 0.638 339 A CB -1.076 17.969 19.000 0.074 0.000 0.831 339 A HN 0.399 nan 8.150 nan 0.000 0.450 340 A N -2.033 120.880 122.820 0.154 0.000 1.883 340 A HA -0.171 4.148 4.320 -0.000 0.000 0.217 340 A C 2.211 179.890 177.584 0.159 0.000 1.186 340 A CA 1.922 54.039 52.037 0.133 0.000 0.624 340 A CB -0.889 18.185 19.000 0.123 0.000 0.822 340 A HN 0.749 nan 8.150 nan 0.000 0.444 341 Y N -1.773 118.602 120.300 0.124 0.000 2.200 341 Y HA -0.213 4.337 4.550 -0.000 0.000 0.290 341 Y C 2.262 178.285 175.900 0.206 0.000 1.137 341 Y CA 2.031 60.247 58.100 0.194 0.000 1.163 341 Y CB -0.466 38.114 38.460 0.200 0.000 0.988 341 Y HN 0.448 nan 8.280 nan 0.000 0.518 342 Y N 0.685 121.109 120.300 0.206 0.000 2.263 342 Y HA -0.213 4.337 4.550 -0.000 0.000 0.292 342 Y C 2.649 178.555 175.900 0.010 0.000 1.130 342 Y CA 1.975 60.148 58.100 0.121 0.000 1.179 342 Y CB -0.575 37.955 38.460 0.115 0.000 0.998 342 Y HN 0.216 nan 8.280 nan 0.000 0.532 343 Q N 0.389 120.276 119.800 0.145 0.000 2.152 343 Q HA -0.275 4.064 4.340 -0.000 0.000 0.206 343 Q C 2.249 178.162 176.000 -0.145 0.000 0.985 343 Q CA 2.084 57.900 55.803 0.021 0.000 0.863 343 Q CB -0.115 28.645 28.738 0.037 0.000 0.904 343 Q HN 0.456 nan 8.270 nan 0.000 0.422 344 K N -1.382 118.858 120.400 -0.267 0.000 2.128 344 K HA -0.010 4.310 4.320 -0.000 0.000 0.202 344 K C -0.121 176.103 176.600 -0.627 0.000 1.050 344 K CA 0.458 56.438 56.287 -0.511 0.000 0.966 344 K CB 0.327 32.363 32.500 -0.773 0.000 0.759 344 K HN 0.078 nan 8.250 nan 0.000 0.454 345 Y N -1.743 118.338 120.300 -0.364 0.000 2.675 345 Y HA 0.292 4.842 4.550 -0.000 0.000 0.328 345 Y C 1.558 177.210 175.900 -0.412 0.000 1.092 345 Y CA -0.721 57.149 58.100 -0.384 0.000 1.190 345 Y CB 0.829 38.972 38.460 -0.529 0.000 1.350 345 Y HN -0.022 nan 8.280 nan 0.000 0.525 346 G N 0.345 109.072 108.800 -0.122 0.000 2.545 346 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.222 346 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.222 346 G C 0.007 174.586 174.900 -0.534 0.000 1.126 346 G CA 1.472 46.420 45.100 -0.254 0.000 0.754 346 G HN 0.582 nan 8.290 nan 0.000 0.583 347 K N -1.095 119.155 120.400 -0.251 0.000 2.533 347 K HA 0.613 4.933 4.320 -0.000 0.000 0.284 347 K C -0.804 176.108 176.600 0.520 0.000 1.025 347 K CA -1.169 55.228 56.287 0.185 0.000 0.900 347 K CB 1.309 33.902 32.500 0.155 0.000 1.519 347 K HN 0.152 nan 8.250 nan 0.000 0.432 348 I N -1.260 119.578 120.570 0.447 0.000 2.676 348 I HA 0.427 4.597 4.170 -0.000 0.000 0.309 348 I C -0.358 175.804 176.117 0.075 0.000 0.990 348 I CA -1.404 60.085 61.300 0.316 0.000 1.168 348 I CB 0.890 38.984 38.000 0.157 0.000 1.343 348 I HN 0.427 nan 8.210 nan 0.000 0.482 349 L N 3.419 124.491 121.223 -0.252 0.000 2.452 349 L HA 0.348 4.688 4.340 -0.000 0.000 0.267 349 L C -1.925 174.831 176.870 -0.190 0.000 1.188 349 L CA -1.438 53.166 54.840 -0.393 0.000 0.821 349 L CB 0.002 41.722 42.059 -0.565 0.000 1.102 349 L HN 0.493 nan 8.230 nan 0.000 0.470 350 P HA 0.073 nan 4.420 nan 0.000 0.272 350 P C -0.743 176.478 177.300 -0.130 0.000 1.230 350 P CA -0.362 62.655 63.100 -0.137 0.000 0.788 350 P CB 0.524 32.154 31.700 -0.117 0.000 0.949 351 V N 1.548 121.385 119.914 -0.129 0.000 2.614 351 V HA 0.310 4.429 4.120 -0.000 0.000 0.291 351 V C 1.537 177.640 176.094 0.015 0.000 1.049 351 V CA 0.403 62.671 62.300 -0.054 0.000 1.038 351 V CB 0.309 32.102 31.823 -0.051 0.000 0.980 351 V HN 0.811 nan 8.190 nan 0.000 0.481 352 G N 3.714 112.524 108.800 0.016 0.000 2.486 352 G HA2 0.413 4.372 3.960 -0.000 0.000 0.272 352 G HA3 0.413 4.372 3.960 -0.000 0.000 0.272 352 G C 0.287 175.307 174.900 0.201 0.000 1.426 352 G CA 0.371 45.498 45.100 0.045 0.000 1.058 352 G HN 0.868 nan 8.290 nan 0.000 0.531 353 T N -3.580 111.074 114.554 0.167 0.000 2.936 353 T HA 0.388 4.738 4.350 -0.000 0.000 0.282 353 T C 0.997 175.868 174.700 0.286 0.000 1.003 353 T CA -0.362 61.866 62.100 0.213 0.000 1.005 353 T CB 1.378 70.352 68.868 0.177 0.000 1.097 353 T HN 0.380 nan 8.240 nan 0.000 0.532 354 F N 0.728 120.786 119.950 0.179 0.000 2.202 354 F HA -0.055 4.472 4.527 -0.001 0.000 0.301 354 F C 1.668 177.576 175.800 0.181 0.000 1.082 354 F CA 1.623 59.751 58.000 0.213 0.000 1.313 354 F CB -0.193 38.844 39.000 0.061 0.000 1.024 354 F HN 0.539 nan 8.300 nan 0.000 0.495 355 D N -0.150 120.353 120.400 0.173 0.000 2.333 355 D HA -0.075 4.565 4.640 -0.000 0.000 0.208 355 D C 0.199 176.525 176.300 0.043 0.000 0.984 355 D CA 0.364 54.410 54.000 0.077 0.000 0.873 355 D CB -0.492 40.407 40.800 0.165 0.000 0.935 355 D HN 0.302 nan 8.370 nan 0.000 0.521 356 D N 0.896 121.346 120.400 0.084 0.000 2.586 356 D HA -0.051 4.588 4.640 -0.000 0.000 0.234 356 D C 0.806 177.131 176.300 0.042 0.000 1.132 356 D CA 0.563 54.596 54.000 0.055 0.000 0.860 356 D CB 0.577 41.390 40.800 0.020 0.000 1.159 356 D HN 0.227 nan 8.370 nan 0.000 0.490 357 I N 0.330 120.896 120.570 -0.008 0.000 2.944 357 I HA 0.214 4.383 4.170 -0.000 0.000 0.334 357 I C -0.329 175.764 176.117 -0.039 0.000 1.420 357 I CA -0.638 60.639 61.300 -0.038 0.000 0.856 357 I CB 0.559 38.550 38.000 -0.016 0.000 2.091 357 I HN 0.046 nan 8.210 nan 0.000 0.571 358 S N 0.789 116.455 115.700 -0.056 0.000 2.632 358 S HA 0.613 5.083 4.470 -0.000 0.000 0.289 358 S C 0.248 174.806 174.600 -0.069 0.000 1.115 358 S CA -0.852 57.319 58.200 -0.048 0.000 0.889 358 S CB 1.914 65.092 63.200 -0.036 0.000 1.116 358 S HN 0.353 nan 8.310 nan 0.000 0.486 359 K N 0.798 121.167 120.400 -0.052 0.000 2.551 359 K HA 0.339 4.659 4.320 -0.000 0.000 0.204 359 K C 0.042 176.598 176.600 -0.074 0.000 1.033 359 K CA 0.035 56.288 56.287 -0.056 0.000 1.187 359 K CB -0.714 31.774 32.500 -0.019 0.000 0.900 359 K HN 0.380 nan 8.250 nan 0.000 0.499 360 N N 0.516 119.165 118.700 -0.084 0.000 2.268 360 N HA 0.053 4.793 4.740 -0.000 0.000 0.204 360 N C -0.784 174.639 175.510 -0.144 0.000 1.124 360 N CA 0.064 53.053 53.050 -0.101 0.000 0.838 360 N CB 0.987 39.432 38.487 -0.069 0.000 0.994 360 N HN 0.096 nan 8.380 nan 0.000 0.489 361 T N -0.926 113.530 114.554 -0.164 0.000 3.159 361 T HA 0.137 4.486 4.350 -0.000 0.000 0.343 361 T C 1.131 175.717 174.700 -0.189 0.000 1.364 361 T CA -0.547 61.456 62.100 -0.161 0.000 1.102 361 T CB 1.739 70.539 68.868 -0.114 0.000 1.263 361 T HN -0.328 nan 8.240 nan 0.000 0.477 362 V N 3.630 123.436 119.914 -0.180 0.000 2.324 362 V HA -0.219 3.900 4.120 -0.000 0.000 0.250 362 V C 2.499 178.466 176.094 -0.211 0.000 1.060 362 V CA 1.936 64.137 62.300 -0.164 0.000 1.042 362 V CB -0.448 31.309 31.823 -0.109 0.000 0.650 362 V HN 0.707 nan 8.190 nan 0.000 0.450 363 R N -0.255 120.097 120.500 -0.246 0.000 2.093 363 R HA 0.026 4.366 4.340 -0.000 0.000 0.224 363 R C 2.516 178.238 176.300 -0.964 0.000 1.101 363 R CA 1.025 56.841 56.100 -0.473 0.000 0.979 363 R CB -0.742 29.407 30.300 -0.251 0.000 0.877 363 R HN 0.582 nan 8.270 nan 0.000 0.441 364 G N 1.303 109.778 108.800 -0.542 0.000 2.440 364 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 364 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 364 G C 1.396 176.104 174.900 -0.320 0.000 1.154 364 G CA 0.787 45.649 45.100 -0.396 0.000 0.767 364 G HN 0.158 nan 8.290 nan 0.000 0.552 365 I N 0.250 120.668 120.570 -0.254 0.000 2.226 365 I HA -0.108 4.062 4.170 -0.000 0.000 0.245 365 I C 2.724 178.739 176.117 -0.170 0.000 1.100 365 I CA 0.598 61.798 61.300 -0.166 0.000 1.374 365 I CB -0.110 37.818 38.000 -0.119 0.000 1.057 365 I HN 0.124 nan 8.210 nan 0.000 0.413 366 L N -0.278 120.800 121.223 -0.243 0.000 2.079 366 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 366 L C 2.699 179.517 176.870 -0.086 0.000 1.081 366 L CA 1.239 55.991 54.840 -0.147 0.000 0.752 366 L CB -0.843 41.130 42.059 -0.143 0.000 0.896 366 L HN 0.390 nan 8.230 nan 0.000 0.433 367 H N -0.206 118.704 119.070 -0.267 0.000 2.333 367 H HA -0.075 4.481 4.556 0.000 0.000 0.302 367 H C 2.129 177.287 175.328 -0.282 0.000 1.075 367 H CA 1.657 57.389 56.048 -0.528 0.000 1.348 367 H CB -0.288 28.815 29.762 -1.098 0.000 1.393 367 H HN 0.459 nan 8.280 nan 0.000 0.509 368 I N -0.161 120.358 120.570 -0.086 0.000 3.419 368 I HA 0.018 4.188 4.170 -0.000 0.000 0.286 368 I C 1.380 177.488 176.117 -0.016 0.000 1.268 368 I CA 1.346 62.622 61.300 -0.040 0.000 1.414 368 I CB -0.184 37.790 38.000 -0.044 0.000 1.074 368 I HN 0.083 nan 8.210 nan 0.000 0.457 369 T N -1.148 113.394 114.554 -0.021 0.000 3.069 369 T HA 0.506 4.856 4.350 -0.000 0.000 0.252 369 T C 0.915 175.620 174.700 0.007 0.000 1.053 369 T CA 0.081 62.177 62.100 -0.008 0.000 0.964 369 T CB -0.147 68.713 68.868 -0.014 0.000 1.005 369 T HN 0.338 nan 8.240 nan 0.000 0.532 370 A N 1.887 124.723 122.820 0.028 0.000 2.477 370 A HA 0.343 4.663 4.320 -0.000 0.000 0.246 370 A C 0.316 177.912 177.584 0.020 0.000 1.078 370 A CA -0.441 51.624 52.037 0.047 0.000 0.770 370 A CB -0.114 18.953 19.000 0.112 0.000 1.011 370 A HN 0.332 nan 8.150 nan 0.000 0.494 371 D N 1.935 122.333 120.400 -0.002 0.000 2.359 371 D HA 0.023 4.663 4.640 -0.000 0.000 0.273 371 D C -0.339 175.914 176.300 -0.080 0.000 1.362 371 D CA 0.198 54.175 54.000 -0.038 0.000 1.010 371 D CB 0.176 40.949 40.800 -0.045 0.000 1.090 371 D HN 0.438 nan 8.370 nan 0.000 0.521 372 D N 4.336 124.698 120.400 -0.065 0.000 2.422 372 D HA 0.024 4.664 4.640 -0.000 0.000 0.263 372 D C 0.042 176.219 176.300 -0.204 0.000 1.334 372 D CA 0.037 53.981 54.000 -0.094 0.000 1.105 372 D CB -0.187 40.595 40.800 -0.030 0.000 1.107 372 D HN 0.409 nan 8.370 nan 0.000 0.522 373 L N 1.812 122.785 121.223 -0.417 0.000 2.440 373 L HA 0.642 4.982 4.340 -0.000 0.000 0.262 373 L C 1.825 178.382 176.870 -0.522 0.000 1.072 373 L CA -0.718 53.751 54.840 -0.618 0.000 0.798 373 L CB 0.311 41.721 42.059 -1.082 0.000 1.307 373 L HN 0.493 nan 8.230 nan 0.000 0.475 374 G N 0.362 108.962 108.800 -0.333 0.000 2.574 374 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.282 374 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.282 374 G C -2.597 172.280 174.900 -0.037 0.000 1.257 374 G CA -0.593 44.498 45.100 -0.015 0.000 0.956 374 G HN 0.508 nan 8.290 nan 0.000 0.560 375 P HA 0.387 nan 4.420 nan 0.000 0.272 375 P C 0.412 177.702 177.300 -0.017 0.000 1.223 375 P CA 0.069 63.163 63.100 -0.009 0.000 0.784 375 P CB 0.267 31.967 31.700 0.001 0.000 0.923 376 T N 1.948 116.498 114.554 -0.005 0.000 2.923 376 T HA 0.327 4.677 4.350 -0.000 0.000 0.304 376 T C 0.767 175.484 174.700 0.028 0.000 1.044 376 T CA 1.651 63.755 62.100 0.006 0.000 1.141 376 T CB -0.743 68.134 68.868 0.015 0.000 1.023 376 T HN 0.913 nan 8.240 nan 0.000 0.533 377 G N 2.573 111.398 108.800 0.042 0.000 2.725 377 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 377 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 377 G C -0.447 174.494 174.900 0.068 0.000 1.357 377 G CA -0.359 44.798 45.100 0.095 0.000 0.866 377 G HN 0.974 nan 8.290 nan 0.000 0.548 378 W N 2.217 123.431 121.300 -0.143 0.000 2.385 378 W HA 0.423 5.083 4.660 -0.001 0.000 0.336 378 W C 0.801 177.237 176.519 -0.139 0.000 1.351 378 W CA 1.188 58.333 57.345 -0.334 0.000 1.295 378 W CB 0.117 29.149 29.460 -0.713 0.000 1.239 378 W HN 0.901 nan 8.180 nan 0.000 0.565 379 D N 2.710 122.651 120.400 -0.765 0.000 2.566 379 D HA 0.561 5.201 4.640 -0.000 0.000 0.254 379 D C 0.315 175.765 176.300 -1.417 0.000 1.090 379 D CA -0.396 53.138 54.000 -0.776 0.000 1.034 379 D CB 1.261 41.892 40.800 -0.283 0.000 1.434 379 D HN 0.292 nan 8.370 nan 0.000 0.509 380 A N -0.160 122.182 122.820 -0.796 0.000 2.209 380 A HA -0.037 4.283 4.320 -0.000 0.000 0.212 380 A C 1.010 178.363 177.584 -0.385 0.000 1.158 380 A CA 1.001 52.720 52.037 -0.530 0.000 0.742 380 A CB -0.537 18.384 19.000 -0.133 0.000 0.790 380 A HN 0.553 nan 8.150 nan 0.000 0.472 381 D N -1.380 118.778 120.400 -0.404 0.000 2.214 381 D HA 0.012 4.652 4.640 -0.000 0.000 0.217 381 D C 0.898 176.907 176.300 -0.485 0.000 0.973 381 D CA 1.259 54.985 54.000 -0.456 0.000 0.880 381 D CB -0.290 40.168 40.800 -0.570 0.000 1.031 381 D HN 0.580 nan 8.370 nan 0.000 0.468 382 Y N 0.602 120.705 120.300 -0.327 0.000 2.458 382 Y HA 0.309 4.858 4.550 -0.001 0.000 0.256 382 Y C 1.780 177.516 175.900 -0.273 0.000 1.159 382 Y CA 0.030 57.988 58.100 -0.237 0.000 1.261 382 Y CB 0.492 38.841 38.460 -0.184 0.000 1.119 382 Y HN 0.008 nan 8.280 nan 0.000 0.524 383 G N 0.895 109.444 108.800 -0.418 0.000 2.652 383 G HA2 -0.435 3.525 3.960 -0.000 0.000 0.318 383 G HA3 -0.435 3.525 3.960 -0.000 0.000 0.318 383 G C 0.696 175.283 174.900 -0.521 0.000 1.295 383 G CA 1.038 45.694 45.100 -0.739 0.000 0.999 383 G HN 0.421 nan 8.290 nan 0.000 0.548 384 Y N 2.111 122.404 120.300 -0.012 0.000 2.497 384 Y HA 0.298 4.849 4.550 0.000 0.000 0.292 384 Y C 2.101 178.001 175.900 -0.000 0.000 1.137 384 Y CA 2.052 60.180 58.100 0.047 0.000 1.285 384 Y CB -0.243 38.266 38.460 0.081 0.000 0.991 384 Y HN 1.444 nan 8.280 nan 0.000 0.556 385 G N -0.629 108.255 108.800 0.139 0.000 2.316 385 G HA2 0.004 3.963 3.960 -0.000 0.000 0.349 385 G HA3 0.004 3.963 3.960 -0.000 0.000 0.349 385 G C -1.572 173.379 174.900 0.086 0.000 1.274 385 G CA -0.672 44.457 45.100 0.048 0.000 1.018 385 G HN 0.227 nan 8.290 nan 0.000 0.486 386 V N 0.924 120.856 119.914 0.030 0.000 2.498 386 V HA 0.655 4.774 4.120 -0.000 0.000 0.279 386 V C 1.108 177.227 176.094 0.042 0.000 1.048 386 V CA 0.151 62.481 62.300 0.051 0.000 0.967 386 V CB 0.897 32.748 31.823 0.046 0.000 0.988 386 V HN 2.134 nan 8.190 nan 0.000 0.473 387 V N 5.755 125.702 119.914 0.055 0.000 2.655 387 V HA 0.579 4.699 4.120 -0.000 0.000 0.300 387 V C 0.095 176.204 176.094 0.026 0.000 1.044 387 V CA -0.220 62.110 62.300 0.050 0.000 1.095 387 V CB 0.539 32.402 31.823 0.067 0.000 0.952 387 V HN 1.021 nan 8.190 nan 0.000 0.485 388 R N 3.901 124.410 120.500 0.016 0.000 2.483 388 R HA 0.690 5.030 4.340 -0.000 0.000 0.303 388 R C 0.827 177.125 176.300 -0.003 0.000 0.987 388 R CA 0.132 56.232 56.100 -0.000 0.000 0.881 388 R CB 1.808 32.104 30.300 -0.007 0.000 1.177 388 R HN 0.926 nan 8.270 nan 0.000 0.451 389 A N 2.450 125.265 122.820 -0.009 0.000 1.968 389 A HA -0.066 4.253 4.320 -0.000 0.000 0.217 389 A C 1.920 179.496 177.584 -0.014 0.000 1.169 389 A CA 1.753 53.788 52.037 -0.005 0.000 0.638 389 A CB -0.245 18.751 19.000 -0.007 0.000 0.812 389 A HN 0.747 nan 8.150 nan 0.000 0.446 390 A N -0.534 122.265 122.820 -0.035 0.000 1.897 390 A HA 0.097 4.416 4.320 -0.000 0.000 0.215 390 A C 2.150 179.724 177.584 -0.016 0.000 1.181 390 A CA 1.233 53.247 52.037 -0.038 0.000 0.620 390 A CB -0.467 18.498 19.000 -0.060 0.000 0.821 390 A HN 0.439 nan 8.150 nan 0.000 0.443 391 L N -0.846 120.368 121.223 -0.014 0.000 2.072 391 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 391 L C 3.045 179.915 176.870 0.001 0.000 1.079 391 L CA 0.974 55.810 54.840 -0.006 0.000 0.752 391 L CB -0.344 41.710 42.059 -0.008 0.000 0.906 391 L HN 0.442 nan 8.230 nan 0.000 0.436 392 A N -0.759 122.061 122.820 0.001 0.000 1.902 392 A HA -0.155 4.165 4.320 -0.000 0.000 0.217 392 A C 2.250 179.847 177.584 0.022 0.000 1.181 392 A CA 1.690 53.728 52.037 0.001 0.000 0.623 392 A CB -0.773 18.226 19.000 -0.003 0.000 0.818 392 A HN 0.210 nan 8.150 nan 0.000 0.443 393 V N 0.041 119.974 119.914 0.032 0.000 2.261 393 V HA -0.330 3.790 4.120 -0.000 0.000 0.246 393 V C 2.753 178.884 176.094 0.062 0.000 1.047 393 V CA 2.370 64.704 62.300 0.057 0.000 1.015 393 V CB -0.831 31.022 31.823 0.049 0.000 0.642 393 V HN 0.792 nan 8.190 nan 0.000 0.446 394 Q N -0.053 119.769 119.800 0.036 0.000 2.077 394 Q HA -0.285 4.055 4.340 -0.000 0.000 0.206 394 Q C 2.203 178.231 176.000 0.048 0.000 0.989 394 Q CA 2.466 58.290 55.803 0.034 0.000 0.853 394 Q CB -0.343 28.405 28.738 0.016 0.000 0.907 394 Q HN 0.637 nan 8.270 nan 0.000 0.418 395 A N 0.480 123.323 122.820 0.039 0.000 1.933 395 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 395 A C 2.240 179.867 177.584 0.072 0.000 1.175 395 A CA 1.670 53.730 52.037 0.038 0.000 0.628 395 A CB -0.927 18.079 19.000 0.010 0.000 0.814 395 A HN 0.593 nan 8.150 nan 0.000 0.444 396 A N 0.065 122.944 122.820 0.099 0.000 1.845 396 A HA -0.042 4.278 4.320 -0.000 0.000 0.215 396 A C 2.062 179.845 177.584 0.332 0.000 1.195 396 A CA 1.505 53.656 52.037 0.190 0.000 0.616 396 A CB -0.704 18.423 19.000 0.211 0.000 0.832 396 A HN 0.471 nan 8.150 nan 0.000 0.443 397 L N -0.025 121.352 121.223 0.257 0.000 2.362 397 L HA 0.016 4.356 4.340 -0.000 0.000 0.219 397 L C 1.873 178.847 176.870 0.174 0.000 1.134 397 L CA 0.024 54.992 54.840 0.214 0.000 0.807 397 L CB -1.369 40.734 42.059 0.073 0.000 0.927 397 L HN 0.475 nan 8.230 nan 0.000 0.447 398 G N 0.000 108.880 108.800 0.134 0.000 5.446 398 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 398 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 398 G CA 0.000 45.153 45.100 0.089 0.000 0.502 398 G HN 0.000 nan 8.290 nan 0.000 0.925