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 2wdv_1_E DATA FIRST_RESID 1 DATA SEQUENCE MKLPVREFDA VVIGAGGAGM RAALQISQSG QTCALLSKVF PTRSHTVSAQ DATA SEQUENCE GGITVALGNT HEDNWEWHMY DTVKGSDYIG DQDAIEYMCK TGPEAILELE DATA SEQUENCE HMGLPFSRLD DGRIYQRPFG GQSKNFGGEQ AARTAAAADR TGHALLHTLY DATA SEQUENCE QQNLKNHTTI FSEWYALDLV KNQDGAVVGC TALCIETGEV VYFKARATVL DATA SEQUENCE ATGGAGRIYQ STTNAHINTG DGVGMAIRAG VPVQDMEMWQ FHPTGIAGAG DATA SEQUENCE VLVTEGCRGE GGYLLNKHGE RFMERYAPNA KDLAGRDVVA RSIMIEIREG DATA SEQUENCE RGCDGPWGPH AKLKLDHLGK EVLESRLPGI LELSRTFAHV DPVKEPIPVI DATA SEQUENCE PTCHYMMGGI PTKVTGQALT VNEKGEDVVV PGLFAVGEIA CVSVHGANRL DATA SEQUENCE GGNSLLDLVV FGRAAGLHLQ ESIAEQGALR DASESDVEAS LDRLNRWNNN DATA SEQUENCE RNGEDPVAIR KALQECMQHN FSVFREGDAM AKGLEQLKVI RERLKNARLD DATA SEQUENCE DTSSEFNTQR VECLELDNLM ETAYATAVSA NFRTESRGAH SRFDFPDRDD DATA SEQUENCE ENWLCHSLYL PESESMTRRS VNMEPKLRPA FPPKIRTY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.314 176.300 0.023 0.000 1.140 1 M CA 0.000 55.316 55.300 0.027 0.000 0.988 1 M CB 0.000 32.627 32.600 0.046 0.000 1.302 2 K N 1.916 122.329 120.400 0.022 0.000 2.537 2 K HA 0.525 4.845 4.320 -0.000 0.000 0.206 2 K C -1.197 175.422 176.600 0.031 0.000 1.041 2 K CA -0.045 56.255 56.287 0.022 0.000 1.090 2 K CB 0.553 33.063 32.500 0.016 0.000 0.833 2 K HN 0.673 nan 8.250 nan 0.000 0.493 3 L N 0.964 122.213 121.223 0.042 0.000 2.422 3 L HA 0.493 4.832 4.340 -0.000 0.000 0.264 3 L C -2.636 174.270 176.870 0.060 0.000 0.984 3 L CA -1.820 53.054 54.840 0.057 0.000 0.819 3 L CB 2.100 44.199 42.059 0.066 0.000 1.330 3 L HN -0.103 nan 8.230 nan 0.000 0.410 4 P HA 0.214 nan 4.420 nan 0.000 0.268 4 P C -1.288 176.001 177.300 -0.019 0.000 1.204 4 P CA -0.156 62.953 63.100 0.016 0.000 0.768 4 P CB 0.755 32.467 31.700 0.021 0.000 0.842 5 V N 5.154 125.033 119.914 -0.059 0.000 2.417 5 V HA 0.388 4.508 4.120 -0.000 0.000 0.291 5 V C 0.445 176.380 176.094 -0.264 0.000 1.024 5 V CA -0.540 61.672 62.300 -0.146 0.000 0.861 5 V CB 1.299 33.077 31.823 -0.075 0.000 0.985 5 V HN 0.434 nan 8.190 nan 0.000 0.436 6 R N 3.247 123.491 120.500 -0.426 0.000 2.288 6 R HA 0.462 4.802 4.340 -0.000 0.000 0.326 6 R C -0.441 175.646 176.300 -0.356 0.000 0.959 6 R CA -0.500 55.356 56.100 -0.406 0.000 0.834 6 R CB 2.127 32.130 30.300 -0.495 0.000 1.157 6 R HN 0.766 nan 8.270 nan 0.000 0.470 7 E N 3.362 123.303 120.200 -0.431 0.000 2.216 7 E HA 0.379 4.729 4.350 -0.000 0.000 0.279 7 E C -1.112 175.139 176.600 -0.581 0.000 0.997 7 E CA -0.350 55.840 56.400 -0.351 0.000 0.817 7 E CB 0.750 30.289 29.700 -0.268 0.000 1.096 7 E HN 0.287 nan 8.360 nan 0.000 0.393 8 F N 1.224 121.131 119.950 -0.072 0.000 2.692 8 F HA 0.220 4.747 4.527 0.000 0.000 0.320 8 F C 0.913 176.689 175.800 -0.040 0.000 1.123 8 F CA -0.854 57.125 58.000 -0.035 0.000 0.961 8 F CB 1.352 40.346 39.000 -0.010 0.000 1.383 8 F HN 0.408 nan 8.300 nan 0.000 0.483 9 D N 0.556 121.054 120.400 0.163 0.000 2.123 9 D HA 0.122 4.761 4.640 -0.000 0.000 0.200 9 D C 0.231 176.558 176.300 0.045 0.000 0.976 9 D CA 1.257 55.298 54.000 0.068 0.000 0.831 9 D CB 0.095 40.916 40.800 0.036 0.000 0.974 9 D HN 0.394 nan 8.370 nan 0.000 0.469 10 A N 0.228 123.077 122.820 0.047 0.000 2.374 10 A HA 0.548 4.868 4.320 -0.000 0.000 0.305 10 A C -0.950 176.588 177.584 -0.076 0.000 1.053 10 A CA -0.551 51.460 52.037 -0.044 0.000 0.726 10 A CB 2.012 20.945 19.000 -0.112 0.000 1.229 10 A HN -0.094 nan 8.150 nan 0.000 0.431 11 V N 3.025 122.876 119.914 -0.105 0.000 2.357 11 V HA 0.337 4.457 4.120 -0.000 0.000 0.284 11 V C -0.263 175.717 176.094 -0.191 0.000 1.018 11 V CA -0.504 61.669 62.300 -0.211 0.000 0.841 11 V CB 1.363 33.075 31.823 -0.186 0.000 0.991 11 V HN 0.628 nan 8.190 nan 0.000 0.437 12 V N 6.865 126.649 119.914 -0.216 0.000 2.348 12 V HA 0.378 4.498 4.120 -0.000 0.000 0.270 12 V C 0.220 176.202 176.094 -0.187 0.000 1.037 12 V CA -0.258 61.943 62.300 -0.165 0.000 0.872 12 V CB 1.243 32.983 31.823 -0.138 0.000 1.002 12 V HN 0.674 nan 8.190 nan 0.000 0.464 13 I N 5.404 125.880 120.570 -0.158 0.000 2.294 13 I HA 0.618 4.788 4.170 -0.000 0.000 0.295 13 I C 0.846 176.889 176.117 -0.123 0.000 1.098 13 I CA 0.289 61.488 61.300 -0.168 0.000 1.277 13 I CB 0.437 38.344 38.000 -0.155 0.000 1.434 13 I HN 0.842 nan 8.210 nan 0.000 0.498 14 G N 4.488 113.217 108.800 -0.117 0.000 2.801 14 G HA2 0.221 4.181 3.960 -0.000 0.000 0.648 14 G HA3 0.221 4.181 3.960 -0.000 0.000 0.648 14 G C -0.654 174.200 174.900 -0.075 0.000 1.415 14 G CA -0.380 44.669 45.100 -0.084 0.000 0.887 14 G HN 0.768 nan 8.290 nan 0.000 0.627 15 A N 1.318 124.095 122.820 -0.071 0.000 3.154 15 A HA 0.814 5.134 4.320 -0.000 0.000 0.310 15 A C 1.143 178.680 177.584 -0.078 0.000 1.093 15 A CA 0.959 52.949 52.037 -0.078 0.000 1.006 15 A CB -0.120 18.823 19.000 -0.096 0.000 1.084 15 A HN 2.031 nan 8.150 nan 0.000 0.549 16 G N -0.608 108.162 108.800 -0.051 0.000 2.543 16 G HA2 0.436 4.396 3.960 -0.000 0.000 0.267 16 G HA3 0.436 4.396 3.960 -0.000 0.000 0.267 16 G C 1.133 176.015 174.900 -0.030 0.000 1.406 16 G CA 0.123 45.201 45.100 -0.037 0.000 1.048 16 G HN 0.580 nan 8.290 nan 0.000 0.548 17 G N -0.063 108.730 108.800 -0.012 0.000 2.491 17 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.218 17 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.218 17 G C 1.971 176.877 174.900 0.011 0.000 1.180 17 G CA 2.133 47.233 45.100 -0.001 0.000 0.774 17 G HN 0.961 nan 8.290 nan 0.000 0.562 18 A N 0.617 123.454 122.820 0.028 0.000 1.898 18 A HA 0.228 4.548 4.320 -0.000 0.000 0.216 18 A C 2.718 180.309 177.584 0.012 0.000 1.181 18 A CA 2.005 54.066 52.037 0.040 0.000 0.620 18 A CB -1.012 18.028 19.000 0.067 0.000 0.819 18 A HN 0.575 nan 8.150 nan 0.000 0.442 19 G N -0.620 108.174 108.800 -0.010 0.000 2.421 19 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 19 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 19 G C 1.645 176.520 174.900 -0.041 0.000 1.171 19 G CA 1.171 46.251 45.100 -0.033 0.000 0.775 19 G HN 0.435 nan 8.290 nan 0.000 0.543 20 M N -0.403 119.174 119.600 -0.039 0.000 2.229 20 M HA 0.020 4.500 4.480 -0.000 0.000 0.264 20 M C 2.595 178.871 176.300 -0.039 0.000 1.063 20 M CA 1.127 56.401 55.300 -0.043 0.000 1.114 20 M CB -0.080 32.496 32.600 -0.040 0.000 1.387 20 M HN 0.161 nan 8.290 nan 0.000 0.420 21 R N 0.800 121.286 120.500 -0.025 0.000 2.073 21 R HA 0.028 4.368 4.340 -0.000 0.000 0.229 21 R C 2.000 178.286 176.300 -0.024 0.000 1.120 21 R CA 1.795 57.883 56.100 -0.020 0.000 0.967 21 R CB -0.614 29.685 30.300 -0.002 0.000 0.862 21 R HN 0.294 nan 8.270 nan 0.000 0.436 22 A N 0.245 123.053 122.820 -0.021 0.000 1.898 22 A HA 0.049 4.368 4.320 -0.000 0.000 0.216 22 A C 2.339 179.890 177.584 -0.054 0.000 1.181 22 A CA 1.515 53.534 52.037 -0.030 0.000 0.620 22 A CB -1.003 17.982 19.000 -0.024 0.000 0.819 22 A HN 0.450 nan 8.150 nan 0.000 0.442 23 A N -0.325 122.459 122.820 -0.060 0.000 1.865 23 A HA -0.100 4.219 4.320 -0.000 0.000 0.217 23 A C 2.107 179.656 177.584 -0.059 0.000 1.191 23 A CA 1.796 53.791 52.037 -0.069 0.000 0.623 23 A CB -0.790 18.165 19.000 -0.075 0.000 0.826 23 A HN 0.594 nan 8.150 nan 0.000 0.444 24 L N -0.645 120.545 121.223 -0.056 0.000 2.081 24 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 24 L C 2.536 179.379 176.870 -0.046 0.000 1.080 24 L CA 2.679 57.487 54.840 -0.053 0.000 0.754 24 L CB -0.547 41.480 42.059 -0.053 0.000 0.893 24 L HN 0.558 nan 8.230 nan 0.000 0.433 25 Q N -0.695 119.078 119.800 -0.046 0.000 2.137 25 Q HA -0.058 4.282 4.340 -0.000 0.000 0.198 25 Q C 2.115 178.085 176.000 -0.050 0.000 0.960 25 Q CA 1.572 57.348 55.803 -0.046 0.000 0.847 25 Q CB -0.228 28.483 28.738 -0.045 0.000 0.915 25 Q HN 0.610 nan 8.270 nan 0.000 0.448 26 I N -0.254 120.282 120.570 -0.056 0.000 2.226 26 I HA -0.261 3.909 4.170 -0.000 0.000 0.245 26 I C 2.368 178.460 176.117 -0.041 0.000 1.100 26 I CA 1.279 62.543 61.300 -0.060 0.000 1.374 26 I CB -0.397 37.557 38.000 -0.078 0.000 1.057 26 I HN 0.214 nan 8.210 nan 0.000 0.413 27 S N 0.284 115.963 115.700 -0.035 0.000 2.356 27 S HA -0.237 4.233 4.470 -0.000 0.000 0.223 27 S C 1.914 176.505 174.600 -0.015 0.000 1.032 27 S CA 1.512 59.701 58.200 -0.018 0.000 1.005 27 S CB -0.148 63.040 63.200 -0.020 0.000 0.867 27 S HN 0.447 nan 8.310 nan 0.000 0.449 28 Q N 0.265 120.051 119.800 -0.023 0.000 2.515 28 Q HA 0.175 4.515 4.340 -0.000 0.000 0.212 28 Q C 0.828 176.815 176.000 -0.022 0.000 0.970 28 Q CA 0.441 56.232 55.803 -0.021 0.000 0.941 28 Q CB 0.145 28.868 28.738 -0.026 0.000 0.998 28 Q HN 0.326 nan 8.270 nan 0.000 0.518 29 S N -0.700 114.984 115.700 -0.026 0.000 2.573 29 S HA 0.275 4.745 4.470 -0.000 0.000 0.244 29 S C 0.966 175.555 174.600 -0.018 0.000 0.984 29 S CA 0.327 58.511 58.200 -0.026 0.000 1.001 29 S CB 0.737 63.914 63.200 -0.037 0.000 0.788 29 S HN 0.622 nan 8.310 nan 0.000 0.456 30 G N 1.231 110.024 108.800 -0.011 0.000 2.267 30 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 30 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 30 G C 0.006 174.906 174.900 -0.000 0.000 0.998 30 G CA -0.074 45.023 45.100 -0.005 0.000 0.620 30 G HN 0.521 nan 8.290 nan 0.000 0.529 31 Q N 1.260 121.058 119.800 -0.003 0.000 2.259 31 Q HA 0.559 4.899 4.340 -0.000 0.000 0.246 31 Q C 0.847 176.863 176.000 0.026 0.000 0.920 31 Q CA 0.271 56.077 55.803 0.006 0.000 0.895 31 Q CB 1.121 29.854 28.738 -0.008 0.000 1.220 31 Q HN 0.483 nan 8.270 nan 0.000 0.439 32 T N -2.041 112.546 114.554 0.055 0.000 2.899 32 T HA 0.469 4.819 4.350 -0.000 0.000 0.295 32 T C -0.297 174.496 174.700 0.156 0.000 1.033 32 T CA -0.764 61.409 62.100 0.121 0.000 1.084 32 T CB 1.004 69.963 68.868 0.152 0.000 0.979 32 T HN 0.691 nan 8.240 nan 0.000 0.532 33 C N 2.213 121.623 119.300 0.182 0.000 2.947 33 C HA 0.709 5.169 4.460 -0.000 0.000 0.401 33 C C -0.344 174.541 174.990 -0.175 0.000 1.019 33 C CA -0.311 58.712 59.018 0.008 0.000 1.230 33 C CB -0.148 27.572 27.740 -0.034 0.000 1.644 33 C HN 1.342 nan 8.230 nan 0.000 0.523 34 A N 4.971 127.459 122.820 -0.554 0.000 2.290 34 A HA 0.744 5.063 4.320 -0.000 0.000 0.310 34 A C -0.937 176.417 177.584 -0.384 0.000 1.202 34 A CA -0.425 51.183 52.037 -0.716 0.000 0.837 34 A CB 0.869 18.950 19.000 -1.532 0.000 1.139 34 A HN 1.284 nan 8.150 nan 0.000 0.509 35 L N 3.733 124.837 121.223 -0.198 0.000 2.295 35 L HA 0.565 4.904 4.340 -0.000 0.000 0.281 35 L C -1.170 175.624 176.870 -0.127 0.000 1.018 35 L CA -0.281 54.464 54.840 -0.158 0.000 0.841 35 L CB 0.641 42.641 42.059 -0.099 0.000 1.218 35 L HN 0.580 nan 8.230 nan 0.000 0.424 36 L N 3.682 124.767 121.223 -0.230 0.000 2.357 36 L HA 0.724 5.064 4.340 -0.000 0.000 0.273 36 L C 0.183 177.000 176.870 -0.088 0.000 1.080 36 L CA 0.282 54.999 54.840 -0.204 0.000 0.803 36 L CB 1.711 43.531 42.059 -0.398 0.000 1.174 36 L HN 0.687 nan 8.230 nan 0.000 0.443 37 S N 0.422 116.132 115.700 0.017 0.000 2.562 37 S HA 0.315 4.785 4.470 -0.000 0.000 0.274 37 S C 0.325 174.982 174.600 0.096 0.000 1.160 37 S CA -0.722 57.490 58.200 0.020 0.000 0.933 37 S CB 0.937 64.132 63.200 -0.008 0.000 1.100 37 S HN 0.705 nan 8.310 nan 0.000 0.468 38 K N 2.068 122.509 120.400 0.069 0.000 2.365 38 K HA 0.107 4.427 4.320 -0.000 0.000 0.199 38 K C 0.767 177.442 176.600 0.125 0.000 1.045 38 K CA 0.979 57.339 56.287 0.122 0.000 0.962 38 K CB -0.441 32.154 32.500 0.159 0.000 0.759 38 K HN 0.447 nan 8.250 nan 0.000 0.469 39 V N -1.998 117.983 119.914 0.111 0.000 3.019 39 V HA 0.432 4.552 4.120 -0.000 0.000 0.317 39 V C -0.207 175.983 176.094 0.159 0.000 1.094 39 V CA -1.540 60.847 62.300 0.144 0.000 1.000 39 V CB 0.949 32.845 31.823 0.121 0.000 1.060 39 V HN 0.095 nan 8.190 nan 0.000 0.443 40 F N 3.832 123.802 119.950 0.033 0.000 2.608 40 F HA 0.326 4.852 4.527 -0.000 0.000 0.380 40 F C -1.467 174.272 175.800 -0.103 0.000 1.083 40 F CA -1.325 56.660 58.000 -0.026 0.000 1.266 40 F CB 0.807 39.777 39.000 -0.050 0.000 1.076 40 F HN 0.437 nan 8.300 nan 0.000 0.574 41 P HA -0.263 nan 4.420 nan 0.000 0.220 41 P C 1.382 178.341 177.300 -0.568 0.000 1.155 41 P CA 2.894 65.632 63.100 -0.603 0.000 0.880 41 P CB -0.283 31.029 31.700 -0.647 0.000 0.790 42 T N -3.607 110.455 114.554 -0.819 0.000 3.284 42 T HA 0.052 4.402 4.350 -0.000 0.000 0.252 42 T C 1.150 175.731 174.700 -0.199 0.000 1.144 42 T CA 0.125 61.891 62.100 -0.556 0.000 1.021 42 T CB -0.606 67.763 68.868 -0.832 0.000 0.984 42 T HN 0.085 nan 8.240 nan 0.000 0.545 43 R N 0.841 121.294 120.500 -0.078 0.000 2.432 43 R HA 0.323 4.663 4.340 -0.000 0.000 0.260 43 R C 0.220 176.541 176.300 0.036 0.000 0.935 43 R CA -0.165 55.960 56.100 0.041 0.000 1.080 43 R CB 0.237 30.607 30.300 0.117 0.000 1.155 43 R HN 0.303 nan 8.270 nan 0.000 0.531 44 S N 0.850 116.538 115.700 -0.019 0.000 2.584 44 S HA -0.022 4.447 4.470 -0.000 0.000 0.270 44 S C 1.080 175.721 174.600 0.069 0.000 1.346 44 S CA -0.325 57.886 58.200 0.018 0.000 1.018 44 S CB 0.867 64.052 63.200 -0.026 0.000 0.899 44 S HN 0.361 nan 8.310 nan 0.000 0.542 45 H N 2.032 121.099 119.070 -0.004 0.000 2.422 45 H HA -0.096 4.460 4.556 -0.000 0.000 0.298 45 H C 1.866 177.203 175.328 0.016 0.000 1.098 45 H CA 2.334 58.386 56.048 0.006 0.000 1.315 45 H CB -0.663 29.096 29.762 -0.005 0.000 1.382 45 H HN 0.608 nan 8.280 nan 0.000 0.523 46 T N -0.528 114.008 114.554 -0.031 0.000 2.848 46 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 46 T C 2.138 176.787 174.700 -0.084 0.000 1.081 46 T CA 1.160 63.216 62.100 -0.073 0.000 1.125 46 T CB -0.635 68.218 68.868 -0.024 0.000 0.848 46 T HN 0.264 nan 8.240 nan 0.000 0.503 47 V N 0.853 120.731 119.914 -0.060 0.000 2.626 47 V HA -0.088 4.032 4.120 -0.000 0.000 0.252 47 V C 2.142 178.248 176.094 0.020 0.000 1.067 47 V CA 1.712 64.021 62.300 0.015 0.000 1.081 47 V CB -0.363 31.495 31.823 0.058 0.000 0.686 47 V HN 0.415 nan 8.190 nan 0.000 0.468 48 S N 0.410 116.043 115.700 -0.111 0.000 2.562 48 S HA 0.340 4.810 4.470 -0.000 0.000 0.221 48 S C 0.960 175.490 174.600 -0.117 0.000 0.975 48 S CA 0.404 58.529 58.200 -0.126 0.000 0.918 48 S CB -0.228 62.829 63.200 -0.239 0.000 0.772 48 S HN 0.720 nan 8.310 nan 0.000 0.531 49 A N 1.191 123.944 122.820 -0.111 0.000 2.498 49 A HA 0.286 4.606 4.320 -0.000 0.000 0.239 49 A C 0.846 178.450 177.584 0.033 0.000 1.068 49 A CA 0.001 52.023 52.037 -0.024 0.000 0.766 49 A CB 0.341 19.339 19.000 -0.004 0.000 1.003 49 A HN 0.449 nan 8.150 nan 0.000 0.497 50 Q N 1.760 121.601 119.800 0.069 0.000 2.631 50 Q HA 0.124 4.464 4.340 -0.000 0.000 0.220 50 Q C 2.162 178.235 176.000 0.122 0.000 0.819 50 Q CA 0.516 56.370 55.803 0.084 0.000 0.914 50 Q CB -0.022 28.761 28.738 0.076 0.000 1.248 50 Q HN 0.886 nan 8.270 nan 0.000 0.629 51 G N 0.729 109.645 108.800 0.194 0.000 2.545 51 G HA2 0.131 4.091 3.960 -0.000 0.000 0.217 51 G HA3 0.131 4.091 3.960 -0.000 0.000 0.217 51 G C 0.622 175.523 174.900 0.003 0.000 1.218 51 G CA 1.048 46.304 45.100 0.260 0.000 0.787 51 G HN 0.542 nan 8.290 nan 0.000 0.571 52 G N -1.625 107.113 108.800 -0.103 0.000 2.352 52 G HA2 0.307 4.267 3.960 -0.000 0.000 0.283 52 G HA3 0.307 4.267 3.960 -0.000 0.000 0.283 52 G C -1.483 173.325 174.900 -0.153 0.000 1.308 52 G CA -0.552 44.483 45.100 -0.108 0.000 0.892 52 G HN 0.522 nan 8.290 nan 0.000 0.504 53 I N 1.292 121.809 120.570 -0.089 0.000 2.339 53 I HA 0.372 4.542 4.170 -0.000 0.000 0.290 53 I C 0.256 176.282 176.117 -0.151 0.000 0.994 53 I CA -0.611 60.648 61.300 -0.068 0.000 1.191 53 I CB 1.855 39.877 38.000 0.037 0.000 1.343 53 I HN 0.338 nan 8.210 nan 0.000 0.458 54 T N 6.015 120.475 114.554 -0.157 0.000 2.779 54 T HA 0.413 4.763 4.350 -0.000 0.000 0.296 54 T C -0.334 174.232 174.700 -0.224 0.000 0.938 54 T CA -0.207 61.763 62.100 -0.216 0.000 1.119 54 T CB 0.999 69.772 68.868 -0.157 0.000 0.891 54 T HN 0.405 nan 8.240 nan 0.000 0.526 55 V N 2.496 122.226 119.914 -0.305 0.000 2.966 55 V HA 0.589 4.709 4.120 -0.000 0.000 0.288 55 V C -0.794 175.174 176.094 -0.209 0.000 1.380 55 V CA -1.000 61.169 62.300 -0.219 0.000 0.966 55 V CB 1.741 33.499 31.823 -0.109 0.000 1.115 55 V HN 0.987 nan 8.190 nan 0.000 0.436 56 A N 6.641 129.399 122.820 -0.103 0.000 2.981 56 A HA 0.375 4.695 4.320 -0.000 0.000 0.280 56 A C 0.847 178.366 177.584 -0.108 0.000 1.797 56 A CA 0.182 52.172 52.037 -0.078 0.000 1.456 56 A CB -0.561 18.469 19.000 0.049 0.000 1.057 56 A HN 0.931 nan 8.150 nan 0.000 0.602 57 L N 1.254 122.377 121.223 -0.167 0.000 2.249 57 L HA 0.150 4.489 4.340 -0.000 0.000 0.207 57 L C 1.862 178.630 176.870 -0.169 0.000 1.090 57 L CA 0.826 55.564 54.840 -0.169 0.000 0.802 57 L CB -0.231 41.702 42.059 -0.211 0.000 0.947 57 L HN 0.842 nan 8.230 nan 0.000 0.453 58 G N 0.530 109.199 108.800 -0.218 0.000 2.198 58 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.257 58 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.257 58 G C 0.499 175.279 174.900 -0.200 0.000 1.042 58 G CA 0.544 45.504 45.100 -0.234 0.000 0.791 58 G HN 0.306 nan 8.290 nan 0.000 0.502 59 N N -0.164 118.409 118.700 -0.211 0.000 2.220 59 N HA 0.002 4.742 4.740 -0.000 0.000 0.182 59 N C 2.348 177.786 175.510 -0.119 0.000 1.023 59 N CA 1.808 54.769 53.050 -0.148 0.000 0.856 59 N CB -0.388 38.010 38.487 -0.148 0.000 0.997 59 N HN 0.412 nan 8.380 nan 0.000 0.429 60 T N -0.212 114.242 114.554 -0.166 0.000 2.942 60 T HA -0.017 4.333 4.350 -0.000 0.000 0.265 60 T C 0.036 174.761 174.700 0.042 0.000 1.062 60 T CA 0.964 63.030 62.100 -0.056 0.000 1.139 60 T CB -0.189 68.661 68.868 -0.030 0.000 0.883 60 T HN 0.585 nan 8.240 nan 0.000 0.468 61 H N -1.012 118.053 119.070 -0.008 0.000 3.079 61 H HA 0.586 5.142 4.556 -0.000 0.000 0.356 61 H C -1.076 174.272 175.328 0.034 0.000 1.221 61 H CA -1.102 54.960 56.048 0.022 0.000 1.185 61 H CB 0.565 30.351 29.762 0.040 0.000 1.882 61 H HN -0.037 nan 8.280 nan 0.000 0.543 62 E N 1.262 121.536 120.200 0.124 0.000 2.765 62 E HA -0.071 4.278 4.350 -0.000 0.000 0.256 62 E C -0.642 176.048 176.600 0.150 0.000 0.935 62 E CA 0.871 57.315 56.400 0.074 0.000 0.954 62 E CB 0.371 30.138 29.700 0.112 0.000 0.908 62 E HN 0.554 nan 8.360 nan 0.000 0.500 63 D N 2.362 122.711 120.400 -0.086 0.000 2.687 63 D HA 0.411 5.051 4.640 -0.000 0.000 0.264 63 D C -1.413 174.568 176.300 -0.532 0.000 1.091 63 D CA -0.597 53.334 54.000 -0.115 0.000 1.123 63 D CB 1.293 42.009 40.800 -0.140 0.000 1.407 63 D HN 0.402 nan 8.370 nan 0.000 0.591 64 N N 0.748 119.031 118.700 -0.695 0.000 2.452 64 N HA 0.027 4.767 4.740 -0.000 0.000 0.277 64 N C 0.786 176.008 175.510 -0.479 0.000 1.078 64 N CA -0.577 51.956 53.050 -0.862 0.000 0.947 64 N CB 0.740 38.132 38.487 -1.824 0.000 1.655 64 N HN 0.657 nan 8.380 nan 0.000 0.490 65 W N 3.851 125.012 121.300 -0.232 0.000 2.392 65 W HA -0.019 4.641 4.660 -0.000 0.000 0.279 65 W C 0.484 177.021 176.519 0.030 0.000 1.225 65 W CA 0.732 58.051 57.345 -0.042 0.000 1.233 65 W CB -0.361 29.081 29.460 -0.030 0.000 1.122 65 W HN 0.574 nan 8.180 nan 0.000 0.561 66 E N 0.171 119.845 120.200 -0.877 0.000 2.150 66 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 66 E C 1.958 178.533 176.600 -0.042 0.000 0.985 66 E CA 1.563 57.638 56.400 -0.541 0.000 0.814 66 E CB -0.612 28.768 29.700 -0.534 0.000 0.752 66 E HN 0.174 nan 8.360 nan 0.000 0.466 67 W N 0.855 121.915 121.300 -0.401 0.000 2.338 67 W HA -0.168 4.492 4.660 -0.000 0.000 0.304 67 W C 2.138 178.652 176.519 -0.009 0.000 1.212 67 W CA 1.062 58.170 57.345 -0.395 0.000 1.264 67 W CB -1.364 27.880 29.460 -0.359 0.000 1.142 67 W HN 0.348 nan 8.180 nan 0.000 0.512 68 H N -0.696 118.482 119.070 0.181 0.000 2.363 68 H HA -0.137 4.419 4.556 -0.000 0.000 0.301 68 H C 2.329 177.753 175.328 0.161 0.000 1.074 68 H CA 1.528 57.678 56.048 0.170 0.000 1.354 68 H CB -0.153 29.706 29.762 0.162 0.000 1.397 68 H HN 0.007 nan 8.280 nan 0.000 0.516 69 M N 0.203 119.881 119.600 0.130 0.000 2.108 69 M HA -0.244 4.235 4.480 -0.000 0.000 0.261 69 M C 2.159 178.436 176.300 -0.039 0.000 1.066 69 M CA 1.744 57.102 55.300 0.096 0.000 1.107 69 M CB -0.350 32.467 32.600 0.362 0.000 1.356 69 M HN 0.365 nan 8.290 nan 0.000 0.406 70 Y N 1.606 121.777 120.300 -0.216 0.000 2.070 70 Y HA -0.336 4.214 4.550 -0.000 0.000 0.280 70 Y C 1.866 177.591 175.900 -0.292 0.000 1.148 70 Y CA 2.429 60.193 58.100 -0.560 0.000 1.125 70 Y CB -0.665 37.632 38.460 -0.272 0.000 0.975 70 Y HN 0.346 nan 8.280 nan 0.000 0.492 71 D N -0.729 119.643 120.400 -0.047 0.000 2.158 71 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 71 D C 2.090 178.321 176.300 -0.116 0.000 0.995 71 D CA 2.002 55.974 54.000 -0.046 0.000 0.846 71 D CB -0.521 40.385 40.800 0.177 0.000 0.941 71 D HN 0.432 nan 8.370 nan 0.000 0.456 72 T N 0.470 114.971 114.554 -0.089 0.000 2.732 72 T HA -0.066 4.284 4.350 -0.000 0.000 0.261 72 T C 2.333 176.928 174.700 -0.174 0.000 1.040 72 T CA 0.818 62.877 62.100 -0.069 0.000 1.145 72 T CB -0.351 68.480 68.868 -0.062 0.000 0.866 72 T HN -0.043 nan 8.240 nan 0.000 0.427 73 V N 1.975 121.723 119.914 -0.277 0.000 2.252 73 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 73 V C 2.525 178.230 176.094 -0.647 0.000 1.056 73 V CA 1.886 63.970 62.300 -0.360 0.000 1.022 73 V CB -0.598 31.039 31.823 -0.310 0.000 0.641 73 V HN 0.442 nan 8.190 nan 0.000 0.445 74 K N 0.241 120.156 120.400 -0.808 0.000 2.057 74 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 74 K C 2.187 178.539 176.600 -0.412 0.000 1.049 74 K CA 1.662 57.435 56.287 -0.857 0.000 0.931 74 K CB -0.630 31.410 32.500 -0.768 0.000 0.714 74 K HN 0.507 nan 8.250 nan 0.000 0.440 75 G N 0.523 109.196 108.800 -0.212 0.000 2.442 75 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.219 75 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.219 75 G C 1.414 176.309 174.900 -0.008 0.000 1.141 75 G CA 1.159 46.264 45.100 0.007 0.000 0.763 75 G HN 0.506 nan 8.290 nan 0.000 0.554 76 S N -0.130 115.522 115.700 -0.079 0.000 2.603 76 S HA 0.013 4.483 4.470 -0.000 0.000 0.229 76 S C 1.071 175.669 174.600 -0.003 0.000 0.972 76 S CA 1.041 59.233 58.200 -0.014 0.000 0.935 76 S CB -0.120 63.071 63.200 -0.015 0.000 0.769 76 S HN 0.302 nan 8.310 nan 0.000 0.536 77 D N 0.203 120.570 120.400 -0.055 0.000 2.837 77 D HA -0.259 4.381 4.640 -0.000 0.000 0.230 77 D C -0.378 176.039 176.300 0.196 0.000 1.152 77 D CA 1.065 55.112 54.000 0.079 0.000 0.736 77 D CB -2.036 38.851 40.800 0.146 0.000 1.084 77 D HN 0.682 nan 8.370 nan 0.000 0.429 78 Y N -3.681 116.637 120.300 0.031 0.000 4.907 78 Y HA -0.353 4.197 4.550 -0.000 0.000 0.246 78 Y C 1.624 177.538 175.900 0.024 0.000 0.968 78 Y CA 1.214 59.333 58.100 0.032 0.000 1.961 78 Y CB -2.293 36.188 38.460 0.036 0.000 1.487 78 Y HN 0.488 nan 8.280 nan 0.000 0.575 79 I N -1.936 118.697 120.570 0.105 0.000 3.941 79 I HA 0.523 4.693 4.170 -0.000 0.000 0.335 79 I C 1.249 177.397 176.117 0.052 0.000 1.402 79 I CA 0.142 61.450 61.300 0.013 0.000 1.112 79 I CB 0.126 38.109 38.000 -0.027 0.000 1.043 79 I HN 0.135 nan 8.210 nan 0.000 0.395 80 G N 1.422 110.267 108.800 0.076 0.000 2.406 80 G HA2 0.138 4.098 3.960 -0.000 0.000 0.251 80 G HA3 0.138 4.098 3.960 -0.000 0.000 0.251 80 G C -0.615 174.353 174.900 0.115 0.000 1.271 80 G CA -0.324 44.834 45.100 0.097 0.000 0.859 80 G HN 0.237 nan 8.290 nan 0.000 0.540 81 D N 1.795 122.284 120.400 0.148 0.000 2.371 81 D HA 0.044 4.684 4.640 -0.000 0.000 0.256 81 D C 1.291 177.661 176.300 0.118 0.000 1.193 81 D CA 0.283 54.368 54.000 0.141 0.000 0.881 81 D CB 1.723 42.602 40.800 0.132 0.000 1.143 81 D HN 0.494 nan 8.370 nan 0.000 0.473 82 Q N 1.217 121.099 119.800 0.136 0.000 2.311 82 Q HA -0.106 4.234 4.340 -0.000 0.000 0.203 82 Q C 1.338 177.443 176.000 0.176 0.000 0.954 82 Q CA 0.641 56.546 55.803 0.170 0.000 0.885 82 Q CB 0.314 29.176 28.738 0.207 0.000 0.963 82 Q HN 0.515 nan 8.270 nan 0.000 0.471 83 D N 0.752 121.237 120.400 0.143 0.000 2.117 83 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 83 D C 1.715 178.117 176.300 0.170 0.000 0.982 83 D CA 1.400 55.485 54.000 0.142 0.000 0.828 83 D CB -0.321 40.538 40.800 0.098 0.000 0.967 83 D HN 0.134 nan 8.370 nan 0.000 0.464 84 A N 1.101 124.010 122.820 0.148 0.000 1.877 84 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 84 A C 2.602 180.359 177.584 0.290 0.000 1.186 84 A CA 1.300 53.462 52.037 0.209 0.000 0.620 84 A CB -0.892 18.151 19.000 0.073 0.000 0.822 84 A HN 0.277 nan 8.150 nan 0.000 0.443 85 I N -0.427 120.255 120.570 0.187 0.000 2.264 85 I HA -0.293 3.877 4.170 -0.000 0.000 0.248 85 I C 2.584 178.807 176.117 0.177 0.000 1.111 85 I CA 1.900 63.291 61.300 0.152 0.000 1.382 85 I CB -0.352 37.708 38.000 0.100 0.000 1.060 85 I HN 0.586 nan 8.210 nan 0.000 0.418 86 E N 0.746 121.082 120.200 0.227 0.000 2.031 86 E HA -0.301 4.049 4.350 -0.000 0.000 0.193 86 E C 2.342 178.981 176.600 0.064 0.000 0.994 86 E CA 1.430 57.974 56.400 0.240 0.000 0.800 86 E CB -0.312 29.555 29.700 0.278 0.000 0.752 86 E HN 0.489 nan 8.360 nan 0.000 0.447 87 Y N 0.971 121.267 120.300 -0.006 0.000 2.151 87 Y HA -0.302 4.248 4.550 -0.000 0.000 0.284 87 Y C 2.408 178.211 175.900 -0.161 0.000 1.166 87 Y CA 2.443 60.494 58.100 -0.083 0.000 1.163 87 Y CB -0.194 38.274 38.460 0.013 0.000 0.974 87 Y HN 0.131 nan 8.280 nan 0.000 0.511 88 M N -1.075 118.568 119.600 0.073 0.000 2.077 88 M HA -0.236 4.244 4.480 -0.000 0.000 0.261 88 M C 2.194 178.417 176.300 -0.128 0.000 1.070 88 M CA 2.338 57.591 55.300 -0.078 0.000 1.125 88 M CB -0.611 32.055 32.600 0.110 0.000 1.339 88 M HN 0.430 nan 8.290 nan 0.000 0.409 89 C N 0.500 119.757 119.300 -0.071 0.000 2.425 89 C HA -0.115 4.345 4.460 -0.000 0.000 0.277 89 C C 2.664 177.604 174.990 -0.084 0.000 1.280 89 C CA 1.318 60.330 59.018 -0.009 0.000 1.744 89 C CB -1.062 26.713 27.740 0.058 0.000 1.989 89 C HN 0.602 nan 8.230 nan 0.000 0.491 90 K N 1.116 121.257 120.400 -0.431 0.000 2.062 90 K HA -0.080 4.239 4.320 -0.000 0.000 0.205 90 K C 1.817 178.073 176.600 -0.573 0.000 1.051 90 K CA 1.951 57.708 56.287 -0.883 0.000 0.941 90 K CB -0.558 31.165 32.500 -1.295 0.000 0.719 90 K HN 0.405 nan 8.250 nan 0.000 0.440 91 T N -0.139 114.089 114.554 -0.543 0.000 2.896 91 T HA 0.031 4.381 4.350 -0.000 0.000 0.263 91 T C 1.715 176.232 174.700 -0.305 0.000 1.050 91 T CA 0.908 62.716 62.100 -0.487 0.000 1.140 91 T CB -0.797 67.651 68.868 -0.701 0.000 0.877 91 T HN 0.468 nan 8.240 nan 0.000 0.457 92 G N 3.026 111.687 108.800 -0.232 0.000 2.843 92 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.232 92 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.232 92 G C -0.690 174.142 174.900 -0.112 0.000 1.186 92 G CA 1.492 46.522 45.100 -0.118 0.000 0.766 92 G HN 0.393 nan 8.290 nan 0.000 0.647 93 P HA -0.092 nan 4.420 nan 0.000 0.214 93 P C 1.759 178.982 177.300 -0.129 0.000 1.163 93 P CA 1.697 64.729 63.100 -0.114 0.000 0.889 93 P CB -0.123 31.517 31.700 -0.101 0.000 0.790 94 E N -0.308 119.808 120.200 -0.140 0.000 2.077 94 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 94 E C 1.871 178.393 176.600 -0.130 0.000 0.989 94 E CA 1.389 57.709 56.400 -0.134 0.000 0.800 94 E CB -0.492 29.127 29.700 -0.136 0.000 0.746 94 E HN 0.057 nan 8.360 nan 0.000 0.452 95 A N 0.882 123.622 122.820 -0.132 0.000 2.015 95 A HA -0.124 4.195 4.320 -0.000 0.000 0.219 95 A C 1.996 179.535 177.584 -0.075 0.000 1.163 95 A CA 0.907 52.881 52.037 -0.106 0.000 0.646 95 A CB -0.231 18.698 19.000 -0.118 0.000 0.806 95 A HN 0.263 nan 8.150 nan 0.000 0.448 96 I N -0.455 120.070 120.570 -0.076 0.000 2.494 96 I HA -0.052 4.118 4.170 -0.000 0.000 0.250 96 I C 2.324 178.412 176.117 -0.049 0.000 1.112 96 I CA 0.633 61.915 61.300 -0.030 0.000 1.438 96 I CB -1.350 36.625 38.000 -0.043 0.000 1.111 96 I HN 0.258 nan 8.210 nan 0.000 0.431 97 L N 0.531 121.671 121.223 -0.140 0.000 2.129 97 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 97 L C 2.464 179.121 176.870 -0.356 0.000 1.087 97 L CA 1.399 56.091 54.840 -0.245 0.000 0.757 97 L CB -0.471 41.426 42.059 -0.270 0.000 0.896 97 L HN 0.318 nan 8.230 nan 0.000 0.434 98 E N 0.322 120.393 120.200 -0.214 0.000 2.085 98 E HA -0.224 4.125 4.350 -0.000 0.000 0.194 98 E C 2.321 178.887 176.600 -0.057 0.000 0.994 98 E CA 1.047 57.363 56.400 -0.140 0.000 0.801 98 E CB -0.026 29.633 29.700 -0.069 0.000 0.743 98 E HN 0.455 nan 8.360 nan 0.000 0.453 99 L N 0.808 122.025 121.223 -0.010 0.000 2.131 99 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 99 L C 2.691 179.602 176.870 0.068 0.000 1.092 99 L CA 0.927 55.787 54.840 0.034 0.000 0.759 99 L CB -0.472 41.625 42.059 0.063 0.000 0.903 99 L HN 0.193 nan 8.230 nan 0.000 0.435 100 E N 0.357 120.636 120.200 0.132 0.000 2.106 100 E HA -0.215 4.134 4.350 -0.000 0.000 0.192 100 E C 1.927 178.631 176.600 0.173 0.000 0.984 100 E CA 1.387 57.907 56.400 0.201 0.000 0.806 100 E CB -0.052 29.783 29.700 0.226 0.000 0.750 100 E HN 0.650 nan 8.360 nan 0.000 0.458 101 H N -1.041 118.063 119.070 0.058 0.000 2.524 101 H HA 0.058 4.614 4.556 -0.000 0.000 0.282 101 H C 1.845 177.178 175.328 0.008 0.000 1.016 101 H CA 0.453 56.516 56.048 0.025 0.000 1.270 101 H CB 0.164 29.933 29.762 0.010 0.000 1.394 101 H HN 0.132 nan 8.280 nan 0.000 0.568 102 M N -0.715 118.955 119.600 0.117 0.000 2.595 102 M HA 0.080 4.560 4.480 -0.000 0.000 0.248 102 M C 1.371 177.685 176.300 0.024 0.000 1.119 102 M CA 0.844 56.172 55.300 0.045 0.000 1.079 102 M CB 0.942 33.550 32.600 0.012 0.000 1.472 102 M HN 0.514 nan 8.290 nan 0.000 0.501 103 G N 0.971 109.795 108.800 0.040 0.000 2.192 103 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.193 103 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.193 103 G C 0.008 174.896 174.900 -0.021 0.000 0.999 103 G CA -0.586 44.526 45.100 0.021 0.000 0.659 103 G HN 0.374 nan 8.290 nan 0.000 0.503 104 L N 2.910 124.089 121.223 -0.073 0.000 2.667 104 L HA 0.230 4.570 4.340 -0.000 0.000 0.278 104 L C -1.048 175.678 176.870 -0.239 0.000 1.217 104 L CA -0.516 54.184 54.840 -0.233 0.000 0.935 104 L CB 0.650 42.436 42.059 -0.454 0.000 1.193 104 L HN 0.024 nan 8.230 nan 0.000 0.493 105 P HA 0.053 nan 4.420 nan 0.000 0.218 105 P C -0.427 176.851 177.300 -0.036 0.000 1.793 105 P CA -0.268 62.790 63.100 -0.070 0.000 0.941 105 P CB -0.367 31.311 31.700 -0.036 0.000 1.919 106 F N 0.621 120.591 119.950 0.033 0.000 2.628 106 F HA -0.046 4.481 4.527 -0.000 0.000 0.362 106 F C 1.705 177.530 175.800 0.042 0.000 1.148 106 F CA 0.848 58.873 58.000 0.041 0.000 1.352 106 F CB -0.093 38.929 39.000 0.036 0.000 1.081 106 F HN 0.054 nan 8.300 nan 0.000 0.605 107 S N 2.986 118.855 115.700 0.282 0.000 2.596 107 S HA 0.450 4.920 4.470 -0.000 0.000 0.260 107 S C -0.013 174.683 174.600 0.160 0.000 1.336 107 S CA -0.737 57.548 58.200 0.141 0.000 0.993 107 S CB 0.573 63.791 63.200 0.030 0.000 0.923 107 S HN 0.328 nan 8.310 nan 0.000 0.567 108 R N 0.548 121.094 120.500 0.077 0.000 2.628 108 R HA 0.440 4.780 4.340 -0.000 0.000 0.288 108 R C -0.747 175.606 176.300 0.089 0.000 0.980 108 R CA -0.617 55.538 56.100 0.091 0.000 0.891 108 R CB 0.886 31.223 30.300 0.061 0.000 1.188 108 R HN 0.522 nan 8.270 nan 0.000 0.450 109 L N 1.832 123.125 121.223 0.118 0.000 2.473 109 L HA -0.003 4.336 4.340 -0.000 0.000 0.268 109 L C 1.336 178.241 176.870 0.058 0.000 1.215 109 L CA -0.094 54.809 54.840 0.105 0.000 0.823 109 L CB 0.457 42.565 42.059 0.083 0.000 1.099 109 L HN 0.502 nan 8.230 nan 0.000 0.483 110 D N 0.696 121.125 120.400 0.049 0.000 2.158 110 D HA -0.200 4.439 4.640 -0.000 0.000 0.197 110 D C 1.330 177.646 176.300 0.027 0.000 0.995 110 D CA 1.724 55.743 54.000 0.032 0.000 0.846 110 D CB -0.157 40.660 40.800 0.030 0.000 0.941 110 D HN 0.690 nan 8.370 nan 0.000 0.456 111 D N -1.689 118.728 120.400 0.027 0.000 2.349 111 D HA 0.145 4.785 4.640 -0.000 0.000 0.224 111 D C 1.470 177.782 176.300 0.020 0.000 1.029 111 D CA 0.880 54.893 54.000 0.021 0.000 0.879 111 D CB 0.176 40.987 40.800 0.018 0.000 0.906 111 D HN 0.224 nan 8.370 nan 0.000 0.528 112 G N -0.486 108.329 108.800 0.026 0.000 2.231 112 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.206 112 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.206 112 G C 0.474 175.391 174.900 0.028 0.000 0.996 112 G CA -0.254 44.862 45.100 0.027 0.000 0.645 112 G HN 0.383 nan 8.290 nan 0.000 0.498 113 R N -0.167 120.344 120.500 0.017 0.000 2.574 113 R HA 0.642 4.982 4.340 -0.000 0.000 0.266 113 R C 0.667 176.964 176.300 -0.004 0.000 1.157 113 R CA -0.601 55.496 56.100 -0.004 0.000 1.187 113 R CB 0.578 30.861 30.300 -0.027 0.000 1.179 113 R HN 0.239 nan 8.270 nan 0.000 0.600 114 I N 1.712 122.241 120.570 -0.070 0.000 2.556 114 I HA -0.068 4.102 4.170 -0.000 0.000 0.284 114 I C 0.048 176.125 176.117 -0.066 0.000 1.114 114 I CA 0.073 61.300 61.300 -0.122 0.000 1.418 114 I CB 0.100 37.858 38.000 -0.403 0.000 1.394 114 I HN 0.428 nan 8.210 nan 0.000 0.552 115 Y N 7.285 127.530 120.300 -0.091 0.000 2.442 115 Y HA 0.129 4.679 4.550 -0.000 0.000 0.330 115 Y C -0.223 175.628 175.900 -0.082 0.000 1.129 115 Y CA -0.009 58.059 58.100 -0.053 0.000 1.365 115 Y CB 0.364 38.826 38.460 0.004 0.000 1.233 115 Y HN 0.497 nan 8.280 nan 0.000 0.529 116 Q N 6.717 126.100 119.800 -0.696 0.000 2.340 116 Q HA 0.418 4.758 4.340 -0.000 0.000 0.268 116 Q C -1.041 174.494 176.000 -0.776 0.000 1.031 116 Q CA -1.129 54.301 55.803 -0.622 0.000 0.804 116 Q CB 2.237 30.758 28.738 -0.362 0.000 1.286 116 Q HN 0.760 nan 8.270 nan 0.000 0.448 117 R N 0.906 121.089 120.500 -0.528 0.000 2.720 117 R HA 0.694 5.033 4.340 -0.000 0.000 0.272 117 R C -2.761 173.532 176.300 -0.012 0.000 0.991 117 R CA -2.149 53.806 56.100 -0.240 0.000 1.010 117 R CB 0.456 30.766 30.300 0.016 0.000 1.141 117 R HN 0.192 nan 8.270 nan 0.000 0.494 118 P HA 0.158 nan 4.420 nan 0.000 0.272 118 P C -1.311 176.170 177.300 0.302 0.000 1.230 118 P CA -0.027 63.159 63.100 0.142 0.000 0.788 118 P CB 0.347 32.106 31.700 0.097 0.000 0.949 119 F N -0.612 119.339 119.950 0.001 0.000 2.713 119 F HA 0.486 5.013 4.527 -0.000 0.000 0.311 119 F C 0.273 176.069 175.800 -0.006 0.000 1.141 119 F CA -0.512 57.488 58.000 -0.001 0.000 0.939 119 F CB 1.208 40.206 39.000 -0.003 0.000 1.325 119 F HN 0.329 nan 8.300 nan 0.000 0.453 120 G N 0.728 109.465 108.800 -0.105 0.000 2.305 120 G HA2 0.418 4.378 3.960 -0.000 0.000 0.243 120 G HA3 0.418 4.378 3.960 -0.000 0.000 0.243 120 G C 0.650 175.572 174.900 0.038 0.000 1.288 120 G CA 0.412 45.458 45.100 -0.091 0.000 0.901 120 G HN 1.741 nan 8.290 nan 0.000 0.516 121 G N 1.097 109.926 108.800 0.048 0.000 2.291 121 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.271 121 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.271 121 G C 0.037 175.044 174.900 0.178 0.000 1.099 121 G CA 0.229 45.424 45.100 0.159 0.000 0.919 121 G HN 0.873 nan 8.290 nan 0.000 0.496 122 Q N -0.026 119.866 119.800 0.154 0.000 2.290 122 Q HA 0.596 4.936 4.340 -0.000 0.000 0.269 122 Q C -0.300 175.760 176.000 0.100 0.000 1.016 122 Q CA -0.111 55.776 55.803 0.140 0.000 0.754 122 Q CB 2.162 30.979 28.738 0.133 0.000 1.247 122 Q HN 0.826 nan 8.270 nan 0.000 0.451 123 S N 1.788 117.541 115.700 0.088 0.000 2.540 123 S HA 0.545 5.015 4.470 -0.000 0.000 0.275 123 S C -0.837 173.667 174.600 -0.159 0.000 1.123 123 S CA -1.052 57.134 58.200 -0.023 0.000 0.907 123 S CB 1.792 64.989 63.200 -0.005 0.000 1.081 123 S HN 0.409 nan 8.310 nan 0.000 0.476 124 K N 1.850 122.039 120.400 -0.351 0.000 2.202 124 K HA 0.355 4.675 4.320 -0.000 0.000 0.264 124 K C -0.241 175.618 176.600 -1.236 0.000 1.010 124 K CA -0.509 55.244 56.287 -0.890 0.000 0.940 124 K CB -0.041 31.995 32.500 -0.773 0.000 0.983 124 K HN 0.814 nan 8.250 nan 0.000 0.475 125 N N 1.087 118.337 118.700 -2.416 0.000 2.738 125 N HA -0.208 4.532 4.740 -0.000 0.000 0.249 125 N C -1.248 173.884 175.510 -0.631 0.000 1.047 125 N CA 0.639 52.879 53.050 -1.349 0.000 0.707 125 N CB -1.709 36.405 38.487 -0.622 0.000 0.937 125 N HN 0.633 nan 8.380 nan 0.000 0.545 126 F N -1.980 117.535 119.950 -0.726 0.000 2.807 126 F HA -0.146 4.381 4.527 -0.000 0.000 0.297 126 F C 1.464 176.710 175.800 -0.924 0.000 1.024 126 F CA 1.034 58.459 58.000 -0.958 0.000 1.008 126 F CB -1.746 36.816 39.000 -0.730 0.000 1.142 126 F HN 0.512 nan 8.300 nan 0.000 0.829 127 G N -1.230 107.355 108.800 -0.359 0.000 2.163 127 G HA2 0.110 4.070 3.960 -0.000 0.000 0.213 127 G HA3 0.110 4.070 3.960 -0.000 0.000 0.213 127 G C 0.753 175.589 174.900 -0.107 0.000 0.991 127 G CA -0.126 44.931 45.100 -0.072 0.000 0.653 127 G HN 1.328 nan 8.290 nan 0.000 0.518 128 G N -0.441 108.235 108.800 -0.207 0.000 2.928 128 G HA2 0.519 4.479 3.960 -0.000 0.000 0.163 128 G HA3 0.519 4.479 3.960 -0.000 0.000 0.163 128 G C 0.208 175.010 174.900 -0.163 0.000 1.573 128 G CA 0.325 45.309 45.100 -0.193 0.000 1.084 128 G HN 0.501 nan 8.290 nan 0.000 0.569 129 E N -0.245 119.842 120.200 -0.189 0.000 2.418 129 E HA 0.108 4.458 4.350 -0.000 0.000 0.261 129 E C 0.098 176.612 176.600 -0.144 0.000 1.070 129 E CA -0.215 56.095 56.400 -0.149 0.000 0.931 129 E CB 0.491 30.094 29.700 -0.162 0.000 0.954 129 E HN 0.305 nan 8.360 nan 0.000 0.439 130 Q N 1.613 121.355 119.800 -0.095 0.000 2.274 130 Q HA 0.161 4.501 4.340 -0.000 0.000 0.280 130 Q C -1.262 174.676 176.000 -0.104 0.000 1.047 130 Q CA 0.207 55.973 55.803 -0.062 0.000 0.907 130 Q CB 0.895 29.617 28.738 -0.026 0.000 1.171 130 Q HN 0.468 nan 8.270 nan 0.000 0.381 131 A N 3.406 126.200 122.820 -0.044 0.000 2.252 131 A HA 0.830 5.150 4.320 -0.000 0.000 0.305 131 A C -0.770 176.894 177.584 0.134 0.000 1.097 131 A CA -0.192 51.852 52.037 0.010 0.000 0.849 131 A CB 1.077 20.170 19.000 0.154 0.000 1.142 131 A HN 1.001 nan 8.150 nan 0.000 0.499 132 A N 0.745 123.779 122.820 0.356 0.000 2.815 132 A HA 0.565 4.885 4.320 -0.000 0.000 0.318 132 A C 0.198 177.812 177.584 0.049 0.000 1.186 132 A CA -0.473 51.667 52.037 0.171 0.000 0.754 132 A CB 0.080 19.156 19.000 0.127 0.000 1.151 132 A HN 1.011 nan 8.150 nan 0.000 0.452 133 R N 0.234 120.717 120.500 -0.029 0.000 2.600 133 R HA 0.225 4.564 4.340 -0.000 0.000 0.392 133 R C -0.738 175.428 176.300 -0.223 0.000 1.032 133 R CA -0.081 55.925 56.100 -0.156 0.000 1.139 133 R CB 0.197 30.405 30.300 -0.152 0.000 1.400 133 R HN 0.285 nan 8.270 nan 0.000 0.566 134 T N 1.781 116.196 114.554 -0.232 0.000 2.727 134 T HA 0.497 4.847 4.350 -0.000 0.000 0.298 134 T C -0.012 174.518 174.700 -0.283 0.000 0.942 134 T CA -0.222 61.681 62.100 -0.328 0.000 0.997 134 T CB 1.216 69.735 68.868 -0.582 0.000 0.917 134 T HN 0.398 nan 8.240 nan 0.000 0.487 135 A N 3.205 125.884 122.820 -0.235 0.000 2.354 135 A HA 0.824 5.144 4.320 -0.000 0.000 0.269 135 A C 0.238 177.844 177.584 0.037 0.000 1.109 135 A CA -0.555 51.365 52.037 -0.195 0.000 0.800 135 A CB 0.311 19.090 19.000 -0.369 0.000 1.045 135 A HN 1.049 nan 8.150 nan 0.000 0.489 136 A N 0.597 123.548 122.820 0.218 0.000 2.594 136 A HA 0.767 5.086 4.320 -0.000 0.000 0.295 136 A C -0.456 177.371 177.584 0.406 0.000 1.071 136 A CA 0.060 52.291 52.037 0.324 0.000 0.685 136 A CB 1.083 20.227 19.000 0.239 0.000 1.285 136 A HN 2.309 nan 8.150 nan 0.000 0.405 137 A N 1.306 124.272 122.820 0.244 0.000 2.316 137 A HA 0.794 5.113 4.320 -0.000 0.000 0.324 137 A C 0.938 178.577 177.584 0.092 0.000 1.375 137 A CA 0.756 52.878 52.037 0.142 0.000 0.882 137 A CB -0.637 18.384 19.000 0.036 0.000 1.152 137 A HN 2.854 nan 8.150 nan 0.000 0.512 138 A N 2.553 125.415 122.820 0.070 0.000 5.476 138 A HA -0.261 4.058 4.320 -0.000 0.000 0.327 138 A C 0.748 178.381 177.584 0.082 0.000 1.778 138 A CA 1.818 53.878 52.037 0.038 0.000 0.721 138 A CB -1.289 17.711 19.000 0.001 0.000 1.388 138 A HN 1.621 nan 8.150 nan 0.000 0.397 139 D N -0.449 119.985 120.400 0.056 0.000 2.980 139 D HA 0.390 5.030 4.640 -0.000 0.000 0.333 139 D C 0.414 176.742 176.300 0.048 0.000 1.356 139 D CA -0.110 53.934 54.000 0.073 0.000 0.847 139 D CB -0.176 40.667 40.800 0.071 0.000 1.122 139 D HN 0.587 nan 8.370 nan 0.000 0.475 140 R N -0.453 120.073 120.500 0.044 0.000 2.642 140 R HA 0.182 4.522 4.340 -0.000 0.000 0.435 140 R C 0.713 177.061 176.300 0.081 0.000 1.046 140 R CA -0.202 55.920 56.100 0.037 0.000 1.103 140 R CB 0.426 30.708 30.300 -0.030 0.000 1.425 140 R HN -0.010 nan 8.270 nan 0.000 0.586 141 T N 0.490 115.086 114.554 0.070 0.000 2.665 141 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 141 T C 2.002 176.727 174.700 0.041 0.000 1.035 141 T CA 2.073 64.204 62.100 0.052 0.000 1.151 141 T CB -0.208 68.701 68.868 0.069 0.000 0.862 141 T HN 0.554 nan 8.240 nan 0.000 0.438 142 G N 0.495 109.326 108.800 0.051 0.000 2.469 142 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.219 142 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.219 142 G C 1.225 176.167 174.900 0.069 0.000 1.150 142 G CA 1.568 46.689 45.100 0.035 0.000 0.763 142 G HN 0.696 nan 8.290 nan 0.000 0.561 143 H N 1.008 120.090 119.070 0.021 0.000 2.290 143 H HA 0.047 4.603 4.556 -0.000 0.000 0.298 143 H C 2.712 178.096 175.328 0.094 0.000 1.087 143 H CA 2.304 58.403 56.048 0.085 0.000 1.291 143 H CB -0.291 29.501 29.762 0.050 0.000 1.369 143 H HN 0.295 nan 8.280 nan 0.000 0.492 144 A N 0.643 123.545 122.820 0.135 0.000 1.902 144 A HA -0.133 4.186 4.320 -0.000 0.000 0.217 144 A C 2.435 179.970 177.584 -0.081 0.000 1.181 144 A CA 1.640 53.681 52.037 0.006 0.000 0.623 144 A CB -0.965 18.009 19.000 -0.043 0.000 0.818 144 A HN 0.526 nan 8.150 nan 0.000 0.443 145 L N -0.902 120.273 121.223 -0.080 0.000 1.994 145 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 145 L C 2.250 179.083 176.870 -0.062 0.000 1.071 145 L CA 2.133 56.922 54.840 -0.086 0.000 0.745 145 L CB -0.667 41.359 42.059 -0.054 0.000 0.892 145 L HN 0.306 nan 8.230 nan 0.000 0.431 146 L N -0.642 120.543 121.223 -0.064 0.000 2.017 146 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 146 L C 2.657 179.451 176.870 -0.127 0.000 1.073 146 L CA 1.883 56.660 54.840 -0.106 0.000 0.745 146 L CB -1.022 40.948 42.059 -0.149 0.000 0.894 146 L HN 0.430 nan 8.230 nan 0.000 0.432 147 H N -1.376 117.597 119.070 -0.162 0.000 2.421 147 H HA -0.117 4.439 4.556 -0.000 0.000 0.298 147 H C 1.961 177.270 175.328 -0.033 0.000 1.087 147 H CA 1.851 57.833 56.048 -0.111 0.000 1.330 147 H CB -0.114 29.502 29.762 -0.245 0.000 1.388 147 H HN 0.402 nan 8.280 nan 0.000 0.526 148 T N 1.153 115.727 114.554 0.033 0.000 2.777 148 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 148 T C 2.384 177.074 174.700 -0.017 0.000 1.040 148 T CA 0.606 62.704 62.100 -0.004 0.000 1.141 148 T CB -0.205 68.632 68.868 -0.051 0.000 0.868 148 T HN 0.204 nan 8.240 nan 0.000 0.444 149 L N -0.383 120.825 121.223 -0.024 0.000 2.201 149 L HA -0.028 4.312 4.340 -0.000 0.000 0.212 149 L C 2.335 179.189 176.870 -0.027 0.000 1.105 149 L CA 1.068 55.888 54.840 -0.033 0.000 0.775 149 L CB -0.517 41.522 42.059 -0.035 0.000 0.913 149 L HN 0.243 nan 8.230 nan 0.000 0.440 150 Y N 1.271 121.485 120.300 -0.143 0.000 2.133 150 Y HA -0.290 4.260 4.550 -0.000 0.000 0.287 150 Y C 2.689 178.527 175.900 -0.103 0.000 1.134 150 Y CA 1.628 59.630 58.100 -0.163 0.000 1.133 150 Y CB -0.383 37.935 38.460 -0.238 0.000 0.987 150 Y HN 0.156 nan 8.280 nan 0.000 0.502 151 Q N -0.504 119.229 119.800 -0.111 0.000 2.112 151 Q HA -0.270 4.069 4.340 -0.000 0.000 0.206 151 Q C 2.123 178.001 176.000 -0.203 0.000 0.987 151 Q CA 1.777 57.482 55.803 -0.163 0.000 0.858 151 Q CB -0.226 28.492 28.738 -0.033 0.000 0.905 151 Q HN 0.513 nan 8.270 nan 0.000 0.420 152 Q N 0.055 119.766 119.800 -0.149 0.000 2.230 152 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 152 Q C 1.547 177.440 176.000 -0.179 0.000 0.963 152 Q CA 0.764 56.486 55.803 -0.136 0.000 0.866 152 Q CB -0.127 28.560 28.738 -0.086 0.000 0.931 152 Q HN 0.444 nan 8.270 nan 0.000 0.452 153 N N 0.253 118.818 118.700 -0.226 0.000 2.354 153 N HA -0.008 4.732 4.740 -0.000 0.000 0.179 153 N C 1.910 177.235 175.510 -0.309 0.000 1.021 153 N CA 0.388 53.298 53.050 -0.234 0.000 0.887 153 N CB 0.180 38.544 38.487 -0.204 0.000 0.974 153 N HN 0.232 nan 8.380 nan 0.000 0.437 154 L N 1.341 122.304 121.223 -0.434 0.000 1.988 154 L HA -0.151 4.188 4.340 -0.000 0.000 0.207 154 L C 2.563 179.195 176.870 -0.396 0.000 1.071 154 L CA 1.202 55.803 54.840 -0.398 0.000 0.744 154 L CB -0.530 41.281 42.059 -0.414 0.000 0.893 154 L HN 0.109 nan 8.230 nan 0.000 0.433 155 K N 0.368 120.571 120.400 -0.329 0.000 2.127 155 K HA -0.274 4.046 4.320 -0.000 0.000 0.208 155 K C 1.758 178.094 176.600 -0.441 0.000 1.047 155 K CA 1.927 58.015 56.287 -0.332 0.000 0.927 155 K CB -0.182 32.202 32.500 -0.193 0.000 0.716 155 K HN 0.315 nan 8.250 nan 0.000 0.450 156 N N -0.427 118.079 118.700 -0.323 0.000 2.336 156 N HA -0.098 4.642 4.740 -0.000 0.000 0.189 156 N C -0.675 174.766 175.510 -0.115 0.000 1.113 156 N CA 0.253 53.185 53.050 -0.196 0.000 0.858 156 N CB 0.232 38.651 38.487 -0.113 0.000 0.970 156 N HN 0.283 nan 8.380 nan 0.000 0.471 157 H N -0.405 118.620 119.070 -0.076 0.000 2.839 157 H HA -0.117 4.439 4.556 -0.000 0.000 0.298 157 H C -0.498 174.796 175.328 -0.057 0.000 1.224 157 H CA 0.923 56.933 56.048 -0.063 0.000 1.144 157 H CB -2.409 27.328 29.762 -0.041 0.000 1.372 157 H HN 0.166 nan 8.280 nan 0.000 0.408 158 T N 1.390 115.941 114.554 -0.006 0.000 2.916 158 T HA 0.127 4.477 4.350 -0.000 0.000 0.303 158 T C 0.964 175.652 174.700 -0.020 0.000 1.025 158 T CA 0.177 62.267 62.100 -0.018 0.000 1.142 158 T CB 0.802 69.633 68.868 -0.061 0.000 0.947 158 T HN 0.215 nan 8.240 nan 0.000 0.544 159 T N 4.677 119.224 114.554 -0.011 0.000 2.751 159 T HA 0.265 4.615 4.350 -0.000 0.000 0.290 159 T C 0.380 175.021 174.700 -0.100 0.000 0.919 159 T CA -0.023 62.045 62.100 -0.054 0.000 1.136 159 T CB -0.522 68.364 68.868 0.030 0.000 0.875 159 T HN 0.369 nan 8.240 nan 0.000 0.532 160 I N 3.825 124.313 120.570 -0.137 0.000 2.354 160 I HA 0.316 4.486 4.170 -0.000 0.000 0.286 160 I C -0.392 175.638 176.117 -0.144 0.000 1.007 160 I CA -0.728 60.523 61.300 -0.081 0.000 1.167 160 I CB 0.935 38.931 38.000 -0.006 0.000 1.320 160 I HN 0.534 nan 8.210 nan 0.000 0.458 161 F N 4.871 124.751 119.950 -0.115 0.000 2.451 161 F HA 0.180 4.707 4.527 -0.000 0.000 0.356 161 F C 1.185 177.055 175.800 0.117 0.000 1.178 161 F CA -0.065 57.867 58.000 -0.112 0.000 1.210 161 F CB 0.659 39.335 39.000 -0.539 0.000 1.504 161 F HN 0.398 nan 8.300 nan 0.000 0.598 162 S N 2.281 118.181 115.700 0.333 0.000 2.565 162 S HA 0.147 4.617 4.470 -0.000 0.000 0.276 162 S C 0.536 175.408 174.600 0.452 0.000 1.326 162 S CA -0.197 58.206 58.200 0.340 0.000 1.045 162 S CB 0.254 63.654 63.200 0.334 0.000 0.918 162 S HN 0.754 nan 8.310 nan 0.000 0.505 163 E N 1.450 121.852 120.200 0.336 0.000 2.389 163 E HA -0.190 4.160 4.350 -0.000 0.000 0.243 163 E C -1.589 175.122 176.600 0.186 0.000 1.154 163 E CA 0.625 57.168 56.400 0.238 0.000 0.723 163 E CB -1.156 28.666 29.700 0.203 0.000 1.261 163 E HN 0.594 nan 8.360 nan 0.000 0.390 164 W N 0.509 121.869 121.300 0.101 0.000 2.520 164 W HA 0.450 5.110 4.660 -0.001 0.000 0.323 164 W C -0.006 176.548 176.519 0.058 0.000 1.062 164 W CA -0.564 56.837 57.345 0.092 0.000 1.215 164 W CB 0.659 30.172 29.460 0.087 0.000 1.340 164 W HN 0.157 nan 8.180 nan 0.000 0.516 165 Y N 3.131 123.501 120.300 0.117 0.000 2.342 165 Y HA 0.631 5.181 4.550 -0.000 0.000 0.338 165 Y C 0.234 176.177 175.900 0.071 0.000 0.965 165 Y CA -1.113 57.012 58.100 0.043 0.000 1.159 165 Y CB 0.518 38.952 38.460 -0.043 0.000 1.157 165 Y HN 0.525 nan 8.280 nan 0.000 0.486 166 A N 7.180 129.789 122.820 -0.352 0.000 2.492 166 A HA 0.244 4.564 4.320 -0.000 0.000 0.254 166 A C 0.268 177.748 177.584 -0.174 0.000 1.091 166 A CA -0.165 51.752 52.037 -0.200 0.000 0.768 166 A CB 0.098 18.960 19.000 -0.230 0.000 1.028 166 A HN 1.097 nan 8.150 nan 0.000 0.498 167 L N 1.586 122.869 121.223 0.100 0.000 2.062 167 L HA 0.206 4.546 4.340 -0.000 0.000 0.202 167 L C 0.499 177.428 176.870 0.100 0.000 1.079 167 L CA 0.752 55.701 54.840 0.182 0.000 0.755 167 L CB -0.111 42.064 42.059 0.193 0.000 0.913 167 L HN 0.604 nan 8.230 nan 0.000 0.445 168 D N -1.606 118.842 120.400 0.081 0.000 2.623 168 D HA 0.392 5.031 4.640 -0.000 0.000 0.241 168 D C -1.053 175.280 176.300 0.055 0.000 1.241 168 D CA -0.534 53.500 54.000 0.057 0.000 0.788 168 D CB 2.531 43.368 40.800 0.062 0.000 1.413 168 D HN -0.136 nan 8.370 nan 0.000 0.429 169 L N 0.662 121.910 121.223 0.041 0.000 2.467 169 L HA 0.280 4.620 4.340 -0.000 0.000 0.270 169 L C 0.082 176.979 176.870 0.044 0.000 1.205 169 L CA -0.412 54.457 54.840 0.049 0.000 0.828 169 L CB 0.551 42.631 42.059 0.035 0.000 1.101 169 L HN 0.026 nan 8.230 nan 0.000 0.479 170 V N 2.475 122.426 119.914 0.062 0.000 2.370 170 V HA 0.321 4.441 4.120 -0.000 0.000 0.283 170 V C -0.073 176.036 176.094 0.025 0.000 1.023 170 V CA -0.801 61.507 62.300 0.012 0.000 0.857 170 V CB 1.415 33.214 31.823 -0.041 0.000 0.985 170 V HN 0.653 nan 8.190 nan 0.000 0.443 171 K N 3.916 124.315 120.400 -0.001 0.000 2.182 171 K HA 0.467 4.787 4.320 -0.000 0.000 0.262 171 K C -0.185 176.414 176.600 -0.001 0.000 0.957 171 K CA -0.765 55.526 56.287 0.007 0.000 0.842 171 K CB 1.529 34.029 32.500 0.000 0.000 1.099 171 K HN 0.807 nan 8.250 nan 0.000 0.438 172 N N 1.102 119.810 118.700 0.013 0.000 2.379 172 N HA -0.078 4.662 4.740 -0.000 0.000 0.260 172 N C 0.703 176.214 175.510 0.001 0.000 1.254 172 N CA -0.232 52.824 53.050 0.010 0.000 0.958 172 N CB 0.400 38.902 38.487 0.026 0.000 1.208 172 N HN 0.654 nan 8.380 nan 0.000 0.532 173 Q N -1.419 118.381 119.800 -0.000 0.000 2.291 173 Q HA -0.099 4.241 4.340 -0.000 0.000 0.206 173 Q C -0.186 175.812 176.000 -0.003 0.000 0.976 173 Q CA 1.446 57.246 55.803 -0.004 0.000 0.875 173 Q CB -0.226 28.510 28.738 -0.004 0.000 0.927 173 Q HN 0.528 nan 8.270 nan 0.000 0.450 174 D N 0.389 120.790 120.400 0.001 0.000 2.349 174 D HA 0.055 4.695 4.640 -0.000 0.000 0.224 174 D C 0.965 177.263 176.300 -0.004 0.000 1.029 174 D CA 1.035 55.034 54.000 -0.001 0.000 0.879 174 D CB 0.449 41.251 40.800 0.003 0.000 0.906 174 D HN 0.567 nan 8.370 nan 0.000 0.528 175 G N 0.561 109.359 108.800 -0.003 0.000 2.143 175 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.249 175 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.249 175 G C 0.489 175.387 174.900 -0.004 0.000 0.981 175 G CA 0.236 45.332 45.100 -0.007 0.000 0.665 175 G HN 0.612 nan 8.290 nan 0.000 0.528 176 A N -0.415 122.408 122.820 0.005 0.000 2.316 176 A HA 0.762 5.082 4.320 -0.000 0.000 0.284 176 A C 0.557 178.158 177.584 0.028 0.000 1.115 176 A CA -0.014 52.030 52.037 0.011 0.000 0.812 176 A CB 1.297 20.308 19.000 0.019 0.000 1.064 176 A HN 1.096 nan 8.150 nan 0.000 0.489 177 V N 2.187 122.121 119.914 0.034 0.000 2.530 177 V HA 0.280 4.400 4.120 -0.000 0.000 0.282 177 V C 0.688 176.838 176.094 0.093 0.000 1.048 177 V CA 0.457 62.792 62.300 0.058 0.000 0.997 177 V CB 1.243 33.099 31.823 0.054 0.000 0.987 177 V HN 0.983 nan 8.190 nan 0.000 0.477 178 V N 2.126 122.114 119.914 0.123 0.000 2.909 178 V HA 0.881 5.001 4.120 -0.000 0.000 0.362 178 V C 0.448 176.688 176.094 0.243 0.000 1.356 178 V CA 0.338 62.737 62.300 0.165 0.000 1.195 178 V CB -0.449 31.478 31.823 0.172 0.000 1.256 178 V HN 1.327 nan 8.190 nan 0.000 0.567 179 G N -0.257 108.670 108.800 0.211 0.000 2.318 179 G HA2 0.251 4.211 3.960 -0.000 0.000 0.367 179 G HA3 0.251 4.211 3.960 -0.000 0.000 0.367 179 G C -0.531 174.524 174.900 0.258 0.000 1.260 179 G CA 0.242 45.486 45.100 0.241 0.000 1.055 179 G HN 1.957 nan 8.290 nan 0.000 0.484 180 C N -1.738 117.750 119.300 0.314 0.000 3.285 180 C HA 0.949 5.409 4.460 -0.000 0.000 0.325 180 C C 0.387 175.586 174.990 0.349 0.000 1.304 180 C CA 0.344 59.504 59.018 0.237 0.000 1.319 180 C CB 1.121 28.924 27.740 0.105 0.000 1.640 180 C HN 2.182 nan 8.230 nan 0.000 0.477 181 T N 0.313 115.019 114.554 0.253 0.000 2.913 181 T HA 0.795 5.145 4.350 -0.000 0.000 0.287 181 T C -0.089 174.781 174.700 0.283 0.000 1.008 181 T CA 0.275 62.546 62.100 0.285 0.000 1.067 181 T CB 1.395 70.369 68.868 0.177 0.000 0.996 181 T HN 2.403 nan 8.240 nan 0.000 0.513 182 A N 1.765 124.815 122.820 0.383 0.000 2.549 182 A HA 0.668 4.987 4.320 -0.000 0.000 0.297 182 A C -1.247 176.606 177.584 0.449 0.000 1.061 182 A CA -0.969 51.308 52.037 0.401 0.000 0.690 182 A CB 1.604 20.851 19.000 0.412 0.000 1.287 182 A HN 1.027 nan 8.150 nan 0.000 0.402 183 L N 2.401 123.819 121.223 0.325 0.000 2.265 183 L HA 0.575 4.915 4.340 -0.000 0.000 0.289 183 L C 0.046 176.860 176.870 -0.092 0.000 1.033 183 L CA -0.371 54.544 54.840 0.124 0.000 0.814 183 L CB 0.813 42.911 42.059 0.065 0.000 1.203 183 L HN 0.858 nan 8.230 nan 0.000 0.423 184 C N 6.287 125.243 119.300 -0.574 0.000 2.651 184 C HA 0.205 4.665 4.460 -0.000 0.000 0.410 184 C C 1.823 176.447 174.990 -0.610 0.000 1.372 184 C CA -0.331 57.939 59.018 -1.248 0.000 1.707 184 C CB -1.265 25.475 27.740 -1.667 0.000 2.501 184 C HN 0.985 nan 8.230 nan 0.000 0.598 185 I N 3.580 123.845 120.570 -0.509 0.000 2.286 185 I HA -0.101 4.068 4.170 -0.000 0.000 0.245 185 I C 2.524 178.391 176.117 -0.415 0.000 1.104 185 I CA 1.429 62.440 61.300 -0.483 0.000 1.397 185 I CB -0.451 37.180 38.000 -0.615 0.000 1.072 185 I HN 0.840 nan 8.210 nan 0.000 0.417 186 E N 0.765 120.839 120.200 -0.209 0.000 2.051 186 E HA -0.265 4.085 4.350 -0.000 0.000 0.192 186 E C 2.066 178.671 176.600 0.007 0.000 0.991 186 E CA 2.272 58.725 56.400 0.088 0.000 0.799 186 E CB 0.078 29.867 29.700 0.148 0.000 0.748 186 E HN 0.560 nan 8.360 nan 0.000 0.449 187 T N -4.507 109.989 114.554 -0.097 0.000 3.023 187 T HA 0.318 4.667 4.350 -0.000 0.000 0.249 187 T C 1.463 176.113 174.700 -0.084 0.000 1.050 187 T CA 0.792 62.856 62.100 -0.060 0.000 1.088 187 T CB 0.843 69.689 68.868 -0.036 0.000 0.946 187 T HN 0.356 nan 8.240 nan 0.000 0.480 188 G N 1.193 109.899 108.800 -0.157 0.000 2.194 188 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.236 188 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.236 188 G C -0.130 174.710 174.900 -0.100 0.000 0.987 188 G CA 0.159 45.183 45.100 -0.127 0.000 0.635 188 G HN 0.815 nan 8.290 nan 0.000 0.520 189 E N 0.312 120.448 120.200 -0.106 0.000 2.442 189 E HA 0.371 4.721 4.350 -0.000 0.000 0.262 189 E C -0.171 176.426 176.600 -0.004 0.000 1.004 189 E CA 0.006 56.389 56.400 -0.028 0.000 0.928 189 E CB 0.688 30.404 29.700 0.026 0.000 0.937 189 E HN 0.154 nan 8.360 nan 0.000 0.446 190 V N 5.076 125.040 119.914 0.083 0.000 2.448 190 V HA 0.358 4.478 4.120 -0.000 0.000 0.295 190 V C -0.313 175.904 176.094 0.204 0.000 1.025 190 V CA -0.596 61.796 62.300 0.153 0.000 0.859 190 V CB 1.751 33.639 31.823 0.109 0.000 0.988 190 V HN 0.459 nan 8.190 nan 0.000 0.431 191 V N 4.239 124.331 119.914 0.297 0.000 2.962 191 V HA 0.435 4.555 4.120 -0.000 0.000 0.313 191 V C -1.302 174.904 176.094 0.186 0.000 1.099 191 V CA -0.944 61.462 62.300 0.176 0.000 0.971 191 V CB 2.387 34.242 31.823 0.054 0.000 1.028 191 V HN 0.732 nan 8.190 nan 0.000 0.430 192 Y N 3.305 123.566 120.300 -0.066 0.000 2.367 192 Y HA 0.582 5.131 4.550 -0.001 0.000 0.342 192 Y C -0.854 174.948 175.900 -0.163 0.000 0.979 192 Y CA -1.913 56.170 58.100 -0.028 0.000 1.161 192 Y CB 0.664 39.116 38.460 -0.012 0.000 1.155 192 Y HN 0.459 nan 8.280 nan 0.000 0.503 193 F N 6.476 126.375 119.950 -0.084 0.000 2.390 193 F HA 0.315 4.842 4.527 0.000 0.000 0.361 193 F C 0.421 175.949 175.800 -0.453 0.000 1.124 193 F CA -0.364 57.477 58.000 -0.263 0.000 1.149 193 F CB 0.748 39.622 39.000 -0.210 0.000 1.160 193 F HN 0.368 nan 8.300 nan 0.000 0.501 194 K N 3.535 123.621 120.400 -0.523 0.000 2.211 194 K HA 0.826 5.146 4.320 -0.000 0.000 0.275 194 K C -1.112 175.429 176.600 -0.100 0.000 1.024 194 K CA -0.374 55.596 56.287 -0.529 0.000 0.887 194 K CB 1.009 33.116 32.500 -0.655 0.000 1.084 194 K HN 0.728 nan 8.250 nan 0.000 0.463 195 A N 3.868 126.690 122.820 0.004 0.000 2.587 195 A HA 0.432 4.752 4.320 -0.000 0.000 0.293 195 A C -0.362 177.262 177.584 0.067 0.000 1.087 195 A CA -0.847 51.224 52.037 0.057 0.000 0.692 195 A CB 1.614 20.655 19.000 0.068 0.000 1.291 195 A HN 0.896 nan 8.150 nan 0.000 0.407 196 R N -0.165 120.371 120.500 0.060 0.000 2.280 196 R HA 0.454 4.794 4.340 -0.000 0.000 0.195 196 R C 0.307 176.673 176.300 0.111 0.000 0.935 196 R CA 1.167 57.312 56.100 0.075 0.000 1.033 196 R CB 0.706 31.039 30.300 0.055 0.000 0.964 196 R HN 0.815 nan 8.270 nan 0.000 0.489 197 A N 0.299 123.160 122.820 0.069 0.000 2.414 197 A HA 0.462 4.782 4.320 -0.000 0.000 0.286 197 A C -0.940 176.661 177.584 0.028 0.000 1.073 197 A CA -0.584 51.484 52.037 0.052 0.000 0.727 197 A CB 1.393 20.234 19.000 -0.265 0.000 1.215 197 A HN 0.001 nan 8.150 nan 0.000 0.430 198 T N 2.370 117.016 114.554 0.152 0.000 2.788 198 T HA 0.463 4.812 4.350 -0.000 0.000 0.296 198 T C -0.394 174.378 174.700 0.121 0.000 1.009 198 T CA -0.229 61.923 62.100 0.087 0.000 0.949 198 T CB 0.869 69.794 68.868 0.096 0.000 0.946 198 T HN 0.439 nan 8.240 nan 0.000 0.453 199 V N 5.669 125.590 119.914 0.013 0.000 2.333 199 V HA 0.329 4.448 4.120 -0.000 0.000 0.274 199 V C 0.232 176.328 176.094 0.005 0.000 1.028 199 V CA -0.775 61.547 62.300 0.037 0.000 0.851 199 V CB 0.884 32.672 31.823 -0.058 0.000 1.000 199 V HN 0.777 nan 8.190 nan 0.000 0.456 200 L N 4.550 125.791 121.223 0.030 0.000 2.360 200 L HA 0.587 4.926 4.340 -0.000 0.000 0.276 200 L C 0.632 177.493 176.870 -0.015 0.000 1.121 200 L CA 0.098 54.931 54.840 -0.011 0.000 0.845 200 L CB 1.155 43.208 42.059 -0.009 0.000 1.143 200 L HN 0.777 nan 8.230 nan 0.000 0.452 201 A N 1.234 124.031 122.820 -0.039 0.000 3.448 201 A HA 0.258 4.577 4.320 -0.000 0.000 0.232 201 A C 0.541 178.099 177.584 -0.044 0.000 1.018 201 A CA -0.142 51.876 52.037 -0.031 0.000 0.996 201 A CB -0.029 18.954 19.000 -0.028 0.000 1.283 201 A HN 0.721 nan 8.150 nan 0.000 0.586 202 T N -3.044 111.478 114.554 -0.052 0.000 3.069 202 T HA 0.487 4.836 4.350 -0.000 0.000 0.252 202 T C 1.243 175.913 174.700 -0.050 0.000 1.053 202 T CA 0.998 63.062 62.100 -0.061 0.000 0.964 202 T CB 0.015 68.836 68.868 -0.079 0.000 1.005 202 T HN 2.168 nan 8.240 nan 0.000 0.532 203 G N 0.473 109.243 108.800 -0.049 0.000 2.642 203 G HA2 0.167 4.126 3.960 -0.000 0.000 0.231 203 G HA3 0.167 4.126 3.960 -0.000 0.000 0.231 203 G C 0.258 175.097 174.900 -0.102 0.000 1.338 203 G CA -0.446 44.620 45.100 -0.058 0.000 0.883 203 G HN 0.897 nan 8.290 nan 0.000 0.570 204 G N -1.947 106.778 108.800 -0.125 0.000 2.531 204 G HA2 0.704 4.664 3.960 -0.000 0.000 0.253 204 G HA3 0.704 4.664 3.960 -0.000 0.000 0.253 204 G C 0.686 175.565 174.900 -0.035 0.000 1.439 204 G CA 1.171 46.179 45.100 -0.153 0.000 1.056 204 G HN 2.240 nan 8.290 nan 0.000 0.555 205 A N -1.759 121.122 122.820 0.102 0.000 2.474 205 A HA 0.509 4.829 4.320 -0.000 0.000 0.249 205 A C 1.635 179.334 177.584 0.191 0.000 0.891 205 A CA 0.991 53.142 52.037 0.190 0.000 1.135 205 A CB -0.134 19.032 19.000 0.277 0.000 1.191 205 A HN 1.334 nan 8.150 nan 0.000 0.471 206 G N 0.453 109.339 108.800 0.143 0.000 2.532 206 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.222 206 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.222 206 G C 1.277 176.158 174.900 -0.032 0.000 1.102 206 G CA 0.710 45.826 45.100 0.026 0.000 0.742 206 G HN 0.367 nan 8.290 nan 0.000 0.577 207 R N 0.486 120.959 120.500 -0.045 0.000 2.339 207 R HA 0.061 4.401 4.340 -0.000 0.000 0.199 207 R C 2.287 178.531 176.300 -0.094 0.000 1.018 207 R CA 0.319 56.390 56.100 -0.048 0.000 1.036 207 R CB -0.555 29.731 30.300 -0.023 0.000 0.899 207 R HN 0.775 nan 8.270 nan 0.000 0.473 208 I N -3.365 117.088 120.570 -0.195 0.000 3.291 208 I HA -0.009 4.161 4.170 -0.000 0.000 0.279 208 I C 0.015 175.804 176.117 -0.546 0.000 1.294 208 I CA 0.429 61.509 61.300 -0.366 0.000 1.428 208 I CB -0.182 37.530 38.000 -0.481 0.000 1.070 208 I HN -0.218 nan 8.210 nan 0.000 0.478 209 Y N 0.767 120.934 120.300 -0.222 0.000 2.519 209 Y HA 0.325 4.875 4.550 -0.000 0.000 0.324 209 Y C 1.489 177.342 175.900 -0.079 0.000 1.214 209 Y CA -0.485 57.526 58.100 -0.149 0.000 1.260 209 Y CB 0.896 39.255 38.460 -0.167 0.000 1.311 209 Y HN -0.154 nan 8.280 nan 0.000 0.505 210 Q N 0.124 120.012 119.800 0.148 0.000 2.245 210 Q HA 0.028 4.368 4.340 -0.000 0.000 0.201 210 Q C -0.202 175.849 176.000 0.086 0.000 0.955 210 Q CA 0.621 56.472 55.803 0.081 0.000 0.870 210 Q CB 0.400 29.180 28.738 0.069 0.000 0.945 210 Q HN 0.458 nan 8.270 nan 0.000 0.461 211 S N -0.498 115.270 115.700 0.113 0.000 2.672 211 S HA 0.500 4.969 4.470 -0.000 0.000 0.291 211 S C -1.100 173.527 174.600 0.045 0.000 1.145 211 S CA -0.535 57.708 58.200 0.071 0.000 1.013 211 S CB 1.824 65.077 63.200 0.088 0.000 1.017 211 S HN 0.161 nan 8.310 nan 0.000 0.487 212 T N 1.179 115.732 114.554 -0.002 0.000 2.843 212 T HA 0.502 4.852 4.350 -0.000 0.000 0.302 212 T C 1.003 175.683 174.700 -0.032 0.000 1.232 212 T CA 0.126 62.208 62.100 -0.030 0.000 1.009 212 T CB 1.386 70.227 68.868 -0.045 0.000 1.254 212 T HN 0.740 nan 8.240 nan 0.000 0.504 213 T N 0.123 114.687 114.554 0.016 0.000 3.129 213 T HA 0.243 4.593 4.350 -0.000 0.000 0.251 213 T C 0.600 175.325 174.700 0.042 0.000 1.117 213 T CA -0.007 62.128 62.100 0.057 0.000 1.034 213 T CB -0.648 68.349 68.868 0.215 0.000 0.968 213 T HN 0.567 nan 8.240 nan 0.000 0.526 214 N N 1.457 120.098 118.700 -0.097 0.000 2.530 214 N HA 0.507 5.247 4.740 -0.000 0.000 0.277 214 N C 0.122 175.444 175.510 -0.313 0.000 1.168 214 N CA -0.611 52.218 53.050 -0.368 0.000 0.979 214 N CB 0.802 39.071 38.487 -0.363 0.000 1.141 214 N HN 0.388 nan 8.380 nan 0.000 0.459 215 A N 1.165 123.746 122.820 -0.398 0.000 2.492 215 A HA -0.070 4.249 4.320 -0.000 0.000 0.236 215 A C 1.041 178.539 177.584 -0.144 0.000 1.078 215 A CA -0.008 51.947 52.037 -0.136 0.000 0.773 215 A CB 0.063 19.098 19.000 0.058 0.000 1.023 215 A HN 0.796 nan 8.150 nan 0.000 0.504 216 H N 1.178 120.237 119.070 -0.018 0.000 2.492 216 H HA -0.173 4.383 4.556 -0.000 0.000 0.296 216 H C 1.661 176.979 175.328 -0.017 0.000 1.095 216 H CA 2.255 58.294 56.048 -0.015 0.000 1.281 216 H CB -0.142 29.623 29.762 0.005 0.000 1.374 216 H HN 0.748 nan 8.280 nan 0.000 0.545 217 I N -1.601 119.028 120.570 0.097 0.000 3.684 217 I HA 0.067 4.237 4.170 -0.000 0.000 0.304 217 I C -0.279 175.850 176.117 0.020 0.000 1.278 217 I CA 0.043 61.384 61.300 0.068 0.000 1.272 217 I CB -0.051 37.996 38.000 0.079 0.000 1.029 217 I HN -0.186 nan 8.210 nan 0.000 0.458 218 N N 2.620 121.298 118.700 -0.036 0.000 2.807 218 N HA 0.122 4.862 4.740 -0.000 0.000 0.259 218 N C 0.508 176.005 175.510 -0.021 0.000 1.149 218 N CA 0.260 53.272 53.050 -0.063 0.000 1.042 218 N CB 0.495 38.883 38.487 -0.165 0.000 1.367 218 N HN 0.374 nan 8.380 nan 0.000 0.516 219 T N -2.756 111.802 114.554 0.006 0.000 3.266 219 T HA 0.276 4.626 4.350 -0.000 0.000 0.278 219 T C 1.077 175.792 174.700 0.025 0.000 1.010 219 T CA -0.396 61.715 62.100 0.019 0.000 0.909 219 T CB -0.195 68.695 68.868 0.037 0.000 1.122 219 T HN 0.383 nan 8.240 nan 0.000 0.536 220 G N 2.189 111.000 108.800 0.019 0.000 2.421 220 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.300 220 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.300 220 G C 0.536 175.439 174.900 0.005 0.000 0.974 220 G CA 0.398 45.507 45.100 0.014 0.000 1.062 220 G HN 0.505 nan 8.290 nan 0.000 0.514 221 D N 0.006 120.401 120.400 -0.008 0.000 2.182 221 D HA -0.090 4.549 4.640 -0.000 0.000 0.201 221 D C 2.438 178.713 176.300 -0.042 0.000 0.986 221 D CA 1.632 55.618 54.000 -0.024 0.000 0.847 221 D CB -0.560 40.186 40.800 -0.090 0.000 0.942 221 D HN 0.548 nan 8.370 nan 0.000 0.467 222 G N 0.471 109.242 108.800 -0.048 0.000 2.408 222 G HA2 -0.169 3.790 3.960 -0.000 0.000 0.217 222 G HA3 -0.169 3.790 3.960 -0.000 0.000 0.217 222 G C 1.867 176.752 174.900 -0.024 0.000 1.150 222 G CA 0.619 45.692 45.100 -0.045 0.000 0.776 222 G HN 0.236 nan 8.290 nan 0.000 0.542 223 V N 1.630 121.534 119.914 -0.017 0.000 2.270 223 V HA -0.051 4.069 4.120 -0.000 0.000 0.245 223 V C 3.179 179.285 176.094 0.019 0.000 1.043 223 V CA 1.970 64.269 62.300 -0.002 0.000 1.014 223 V CB -1.193 30.630 31.823 0.000 0.000 0.645 223 V HN 0.416 nan 8.190 nan 0.000 0.447 224 G N -0.507 108.308 108.800 0.024 0.000 2.529 224 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.219 224 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.219 224 G C 1.660 176.581 174.900 0.036 0.000 1.177 224 G CA 1.524 46.647 45.100 0.039 0.000 0.773 224 G HN 0.421 nan 8.290 nan 0.000 0.573 225 M N 0.589 120.201 119.600 0.020 0.000 2.159 225 M HA 0.008 4.488 4.480 -0.000 0.000 0.263 225 M C 3.025 179.335 176.300 0.017 0.000 1.063 225 M CA 1.339 56.649 55.300 0.016 0.000 1.110 225 M CB -0.154 32.443 32.600 -0.005 0.000 1.374 225 M HN 0.349 nan 8.290 nan 0.000 0.411 226 A N 0.490 123.318 122.820 0.012 0.000 1.873 226 A HA -0.137 4.183 4.320 -0.000 0.000 0.215 226 A C 2.033 179.633 177.584 0.027 0.000 1.186 226 A CA 1.425 53.469 52.037 0.012 0.000 0.616 226 A CB -0.850 18.152 19.000 0.004 0.000 0.823 226 A HN 0.434 nan 8.150 nan 0.000 0.442 227 I N -0.846 119.754 120.570 0.051 0.000 2.163 227 I HA -0.281 3.888 4.170 -0.000 0.000 0.243 227 I C 2.736 178.884 176.117 0.052 0.000 1.085 227 I CA 1.459 62.808 61.300 0.082 0.000 1.347 227 I CB -0.285 37.799 38.000 0.139 0.000 1.044 227 I HN 0.277 nan 8.210 nan 0.000 0.408 228 R N 0.414 120.939 120.500 0.042 0.000 2.193 228 R HA -0.076 4.264 4.340 -0.000 0.000 0.229 228 R C 1.881 178.191 176.300 0.017 0.000 1.110 228 R CA 1.195 57.312 56.100 0.030 0.000 0.988 228 R CB -0.234 30.087 30.300 0.034 0.000 0.871 228 R HN 0.347 nan 8.270 nan 0.000 0.458 229 A N -0.122 122.706 122.820 0.015 0.000 2.307 229 A HA 0.265 4.585 4.320 -0.000 0.000 0.218 229 A C 1.121 178.703 177.584 -0.004 0.000 1.228 229 A CA 0.535 52.575 52.037 0.005 0.000 0.857 229 A CB 0.142 19.147 19.000 0.007 0.000 0.897 229 A HN 0.381 nan 8.150 nan 0.000 0.495 230 G N -1.082 107.715 108.800 -0.005 0.000 2.160 230 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.244 230 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.244 230 G C -0.024 174.860 174.900 -0.027 0.000 1.022 230 G CA 0.219 45.306 45.100 -0.021 0.000 0.741 230 G HN 0.784 nan 8.290 nan 0.000 0.508 231 V N 2.387 122.293 119.914 -0.014 0.000 2.398 231 V HA 0.522 4.642 4.120 -0.000 0.000 0.286 231 V C -1.295 174.794 176.094 -0.007 0.000 1.026 231 V CA -1.606 60.681 62.300 -0.021 0.000 0.868 231 V CB 1.895 33.705 31.823 -0.021 0.000 0.982 231 V HN 0.238 nan 8.190 nan 0.000 0.443 232 P HA 0.197 nan 4.420 nan 0.000 0.272 232 P C -0.570 176.746 177.300 0.026 0.000 1.223 232 P CA 0.148 63.247 63.100 -0.001 0.000 0.784 232 P CB 1.271 32.951 31.700 -0.034 0.000 0.923 233 V N -0.346 119.620 119.914 0.087 0.000 2.994 233 V HA 0.668 4.788 4.120 -0.000 0.000 0.318 233 V C -0.416 175.700 176.094 0.037 0.000 1.085 233 V CA -0.896 61.432 62.300 0.046 0.000 0.998 233 V CB 1.462 33.314 31.823 0.048 0.000 1.063 233 V HN 0.642 nan 8.190 nan 0.000 0.447 234 Q N 0.157 119.947 119.800 -0.017 0.000 2.372 234 Q HA 0.386 4.726 4.340 -0.000 0.000 0.273 234 Q C -0.953 175.033 176.000 -0.023 0.000 1.078 234 Q CA -0.414 55.379 55.803 -0.017 0.000 0.806 234 Q CB 1.857 30.543 28.738 -0.086 0.000 1.332 234 Q HN 0.953 nan 8.270 nan 0.000 0.435 235 D N 3.097 123.520 120.400 0.039 0.000 2.737 235 D HA -0.207 4.432 4.640 -0.000 0.000 0.233 235 D C 0.708 176.983 176.300 -0.042 0.000 1.155 235 D CA 0.753 54.778 54.000 0.042 0.000 0.667 235 D CB -0.236 40.610 40.800 0.077 0.000 1.060 235 D HN 0.656 nan 8.370 nan 0.000 0.427 236 M N -0.221 119.351 119.600 -0.048 0.000 2.358 236 M HA -0.135 4.345 4.480 -0.000 0.000 0.264 236 M C 2.127 178.410 176.300 -0.029 0.000 1.064 236 M CA 1.291 56.538 55.300 -0.089 0.000 1.093 236 M CB -0.455 32.107 32.600 -0.064 0.000 1.401 236 M HN 0.305 nan 8.290 nan 0.000 0.440 237 E N -0.481 119.713 120.200 -0.011 0.000 2.418 237 E HA -0.106 4.244 4.350 -0.000 0.000 0.197 237 E C 0.155 176.827 176.600 0.120 0.000 1.026 237 E CA 0.467 56.892 56.400 0.043 0.000 0.862 237 E CB -0.237 29.338 29.700 -0.209 0.000 0.799 237 E HN 0.289 nan 8.360 nan 0.000 0.518 238 M N 1.296 120.901 119.600 0.007 0.000 2.383 238 M HA 0.189 4.669 4.480 -0.000 0.000 0.337 238 M C -1.289 174.977 176.300 -0.057 0.000 1.422 238 M CA 0.069 55.392 55.300 0.038 0.000 1.333 238 M CB -1.173 31.436 32.600 0.015 0.000 1.488 238 M HN 0.075 nan 8.290 nan 0.000 0.454 239 W N 2.182 123.562 121.300 0.133 0.000 2.411 239 W HA 0.406 5.066 4.660 -0.000 0.000 0.317 239 W C 0.350 176.915 176.519 0.078 0.000 1.030 239 W CA -0.559 56.828 57.345 0.069 0.000 1.239 239 W CB 1.109 30.608 29.460 0.063 0.000 1.304 239 W HN 0.489 nan 8.180 nan 0.000 0.437 240 Q N 3.690 123.635 119.800 0.241 0.000 2.296 240 Q HA 0.267 4.607 4.340 -0.000 0.000 0.263 240 Q C -1.183 174.890 176.000 0.122 0.000 1.026 240 Q CA -0.098 55.836 55.803 0.218 0.000 0.912 240 Q CB 0.414 29.274 28.738 0.202 0.000 1.198 240 Q HN 0.408 nan 8.270 nan 0.000 0.407 241 F N 3.672 123.683 119.950 0.102 0.000 2.404 241 F HA 0.169 4.696 4.527 -0.000 0.000 0.358 241 F C 0.702 176.529 175.800 0.046 0.000 1.120 241 F CA -0.714 57.323 58.000 0.061 0.000 1.144 241 F CB 0.710 39.688 39.000 -0.038 0.000 1.133 241 F HN 0.577 nan 8.300 nan 0.000 0.495 242 H N 6.472 125.585 119.070 0.071 0.000 2.886 242 H HA 0.064 4.620 4.556 -0.000 0.000 0.329 242 H C -1.639 173.666 175.328 -0.038 0.000 1.044 242 H CA -1.535 54.457 56.048 -0.094 0.000 1.456 242 H CB 1.707 31.227 29.762 -0.404 0.000 1.464 242 H HN 0.348 nan 8.280 nan 0.000 0.573 243 P HA -0.106 nan 4.420 nan 0.000 0.216 243 P C 0.479 177.840 177.300 0.101 0.000 1.150 243 P CA 1.379 64.466 63.100 -0.022 0.000 0.837 243 P CB 0.104 31.720 31.700 -0.140 0.000 0.786 244 T N -2.475 112.234 114.554 0.258 0.000 3.378 244 T HA 0.617 4.967 4.350 -0.000 0.000 0.359 244 T C 0.415 175.150 174.700 0.057 0.000 1.815 244 T CA -0.841 61.346 62.100 0.144 0.000 1.509 244 T CB 0.082 69.004 68.868 0.089 0.000 1.049 244 T HN 0.008 nan 8.240 nan 0.000 0.705 245 G N 1.858 110.680 108.800 0.036 0.000 2.400 245 G HA2 0.609 4.569 3.960 -0.000 0.000 0.301 245 G HA3 0.609 4.569 3.960 -0.000 0.000 0.301 245 G C -0.048 174.843 174.900 -0.015 0.000 1.154 245 G CA -1.157 43.926 45.100 -0.028 0.000 0.852 245 G HN 0.773 nan 8.290 nan 0.000 0.511 246 I N 1.631 122.182 120.570 -0.032 0.000 2.598 246 I HA 0.132 4.301 4.170 -0.000 0.000 0.284 246 I C 1.292 177.418 176.117 0.016 0.000 1.140 246 I CA -0.106 61.181 61.300 -0.022 0.000 1.420 246 I CB 0.840 38.845 38.000 0.009 0.000 1.387 246 I HN 0.508 nan 8.210 nan 0.000 0.553 247 A N 5.239 128.057 122.820 -0.004 0.000 2.520 247 A HA 0.406 4.726 4.320 -0.000 0.000 0.245 247 A C 1.367 179.052 177.584 0.168 0.000 1.072 247 A CA 0.485 52.566 52.037 0.073 0.000 0.761 247 A CB -0.236 18.786 19.000 0.037 0.000 1.004 247 A HN 1.230 nan 8.150 nan 0.000 0.499 248 G N 0.853 109.746 108.800 0.154 0.000 2.212 248 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.266 248 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.266 248 G C 0.915 175.894 174.900 0.131 0.000 0.978 248 G CA 1.290 46.484 45.100 0.156 0.000 0.632 248 G HN 2.031 nan 8.290 nan 0.000 0.537 249 A N -1.526 121.357 122.820 0.106 0.000 2.009 249 A HA 0.634 4.954 4.320 -0.000 0.000 0.197 249 A C 2.710 180.267 177.584 -0.044 0.000 1.471 249 A CA 1.909 53.975 52.037 0.050 0.000 0.973 249 A CB -0.195 18.857 19.000 0.086 0.000 1.020 249 A HN 2.303 nan 8.150 nan 0.000 0.476 250 G N -0.933 107.850 108.800 -0.028 0.000 2.234 250 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.260 250 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.260 250 G C 0.385 175.224 174.900 -0.101 0.000 0.987 250 G CA 0.266 45.339 45.100 -0.045 0.000 0.625 250 G HN 0.965 nan 8.290 nan 0.000 0.532 251 V N 1.906 121.707 119.914 -0.188 0.000 2.599 251 V HA 0.376 4.496 4.120 -0.000 0.000 0.300 251 V C 1.085 177.102 176.094 -0.130 0.000 1.034 251 V CA 0.349 62.511 62.300 -0.230 0.000 1.115 251 V CB 1.311 32.858 31.823 -0.459 0.000 0.934 251 V HN 0.603 nan 8.190 nan 0.000 0.485 252 L N 7.815 128.972 121.223 -0.110 0.000 2.397 252 L HA 0.504 4.843 4.340 -0.000 0.000 0.271 252 L C -0.042 176.751 176.870 -0.129 0.000 1.148 252 L CA 0.281 55.026 54.840 -0.159 0.000 0.825 252 L CB 1.271 43.210 42.059 -0.201 0.000 1.117 252 L HN 0.571 nan 8.230 nan 0.000 0.456 253 V N 1.535 121.364 119.914 -0.142 0.000 2.547 253 V HA 0.506 4.626 4.120 -0.000 0.000 0.299 253 V C 0.322 176.354 176.094 -0.105 0.000 1.040 253 V CA -0.501 61.746 62.300 -0.088 0.000 0.913 253 V CB 1.136 32.929 31.823 -0.050 0.000 0.992 253 V HN 0.893 nan 8.190 nan 0.000 0.449 254 T N 1.330 115.863 114.554 -0.035 0.000 2.926 254 T HA 0.081 4.431 4.350 -0.000 0.000 0.307 254 T C 0.981 175.696 174.700 0.025 0.000 1.059 254 T CA 0.776 62.890 62.100 0.025 0.000 1.122 254 T CB 0.721 69.656 68.868 0.112 0.000 0.972 254 T HN 1.107 nan 8.240 nan 0.000 0.545 255 E N 2.245 122.450 120.200 0.009 0.000 2.401 255 E HA -0.026 4.323 4.350 -0.000 0.000 0.199 255 E C 1.936 178.290 176.600 -0.411 0.000 1.023 255 E CA 0.960 57.177 56.400 -0.304 0.000 0.859 255 E CB -0.644 28.650 29.700 -0.677 0.000 0.780 255 E HN 0.900 nan 8.360 nan 0.000 0.523 256 G N -0.034 108.725 108.800 -0.068 0.000 2.509 256 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.218 256 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.218 256 G C 1.487 176.422 174.900 0.057 0.000 1.124 256 G CA 0.670 45.867 45.100 0.161 0.000 0.776 256 G HN 0.376 nan 8.290 nan 0.000 0.547 257 C N 0.134 119.433 119.300 -0.002 0.000 2.432 257 C HA 0.012 4.472 4.460 -0.000 0.000 0.277 257 C C 2.957 177.928 174.990 -0.031 0.000 1.249 257 C CA 0.801 59.806 59.018 -0.021 0.000 1.725 257 C CB -0.714 27.004 27.740 -0.036 0.000 2.028 257 C HN 0.444 nan 8.230 nan 0.000 0.477 258 R N 0.715 121.176 120.500 -0.065 0.000 2.115 258 R HA 0.042 4.382 4.340 -0.000 0.000 0.226 258 R C 2.363 178.648 176.300 -0.025 0.000 1.100 258 R CA 1.259 57.330 56.100 -0.048 0.000 0.980 258 R CB -0.673 29.570 30.300 -0.094 0.000 0.875 258 R HN 0.598 nan 8.270 nan 0.000 0.445 259 G N 0.605 109.377 108.800 -0.046 0.000 2.443 259 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 259 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 259 G C 1.054 176.007 174.900 0.089 0.000 1.131 259 G CA 0.395 45.518 45.100 0.038 0.000 0.775 259 G HN 0.213 nan 8.290 nan 0.000 0.547 260 E N -0.124 120.125 120.200 0.081 0.000 2.474 260 E HA 0.199 4.549 4.350 -0.000 0.000 0.195 260 E C 1.585 178.226 176.600 0.069 0.000 1.039 260 E CA 0.559 57.011 56.400 0.088 0.000 0.881 260 E CB 0.580 30.326 29.700 0.077 0.000 0.970 260 E HN 0.441 nan 8.360 nan 0.000 0.486 261 G N 0.995 109.844 108.800 0.082 0.000 2.164 261 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.154 261 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.154 261 G C 0.562 175.613 174.900 0.251 0.000 1.014 261 G CA -0.318 44.879 45.100 0.160 0.000 0.683 261 G HN 0.420 nan 8.290 nan 0.000 0.500 262 G N -0.254 108.605 108.800 0.098 0.000 2.572 262 G HA2 0.740 4.700 3.960 -0.000 0.000 0.261 262 G HA3 0.740 4.700 3.960 -0.000 0.000 0.261 262 G C -0.269 174.694 174.900 0.105 0.000 1.197 262 G CA 0.089 45.214 45.100 0.041 0.000 0.870 262 G HN 1.324 nan 8.290 nan 0.000 0.548 263 Y N -2.002 118.331 120.300 0.055 0.000 2.655 263 Y HA 0.695 5.245 4.550 -0.000 0.000 0.336 263 Y C -0.877 174.982 175.900 -0.070 0.000 1.154 263 Y CA -1.726 56.347 58.100 -0.045 0.000 1.055 263 Y CB 1.191 39.607 38.460 -0.074 0.000 1.295 263 Y HN 0.400 nan 8.280 nan 0.000 0.465 264 L N 2.864 124.105 121.223 0.029 0.000 2.289 264 L HA 0.590 4.930 4.340 -0.000 0.000 0.285 264 L C -0.694 176.178 176.870 0.004 0.000 1.049 264 L CA -0.559 54.243 54.840 -0.062 0.000 0.804 264 L CB 1.233 43.140 42.059 -0.253 0.000 1.195 264 L HN 0.531 nan 8.230 nan 0.000 0.428 265 L N 2.702 124.038 121.223 0.188 0.000 2.333 265 L HA 0.546 4.886 4.340 -0.000 0.000 0.269 265 L C -0.334 176.778 176.870 0.403 0.000 1.010 265 L CA -0.915 54.096 54.840 0.284 0.000 0.818 265 L CB 1.911 44.086 42.059 0.193 0.000 1.306 265 L HN 0.657 nan 8.230 nan 0.000 0.430 266 N N 0.535 119.469 118.700 0.391 0.000 2.604 266 N HA 0.199 4.939 4.740 -0.000 0.000 0.297 266 N C 0.424 175.960 175.510 0.042 0.000 1.266 266 N CA -0.907 52.240 53.050 0.162 0.000 0.961 266 N CB 0.424 38.953 38.487 0.069 0.000 1.166 266 N HN 0.591 nan 8.380 nan 0.000 0.601 267 K N -1.283 119.054 120.400 -0.105 0.000 2.218 267 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 267 K C 0.407 176.875 176.600 -0.219 0.000 1.046 267 K CA 1.416 57.578 56.287 -0.209 0.000 0.933 267 K CB -0.419 31.885 32.500 -0.327 0.000 0.728 267 K HN 0.501 nan 8.250 nan 0.000 0.454 268 H N -0.195 118.899 119.070 0.040 0.000 2.533 268 H HA 0.146 4.702 4.556 -0.000 0.000 0.271 268 H C 1.211 176.576 175.328 0.063 0.000 1.000 268 H CA 0.644 56.719 56.048 0.044 0.000 1.149 268 H CB 0.662 30.447 29.762 0.038 0.000 1.375 268 H HN 0.630 nan 8.280 nan 0.000 0.582 269 G N 1.269 110.160 108.800 0.151 0.000 2.196 269 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.268 269 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.268 269 G C 0.381 175.376 174.900 0.159 0.000 0.975 269 G CA 0.561 45.746 45.100 0.141 0.000 0.648 269 G HN 0.505 nan 8.290 nan 0.000 0.538 270 E N 0.517 120.832 120.200 0.191 0.000 2.360 270 E HA 0.224 4.573 4.350 -0.000 0.000 0.269 270 E C 0.737 177.462 176.600 0.207 0.000 1.022 270 E CA -0.656 55.846 56.400 0.171 0.000 0.887 270 E CB 0.282 30.086 29.700 0.173 0.000 0.990 270 E HN 0.367 nan 8.360 nan 0.000 0.426 271 R N 5.490 126.047 120.500 0.095 0.000 3.247 271 R HA 0.014 4.354 4.340 -0.000 0.000 0.212 271 R C 0.777 177.058 176.300 -0.031 0.000 1.604 271 R CA -0.157 55.944 56.100 0.001 0.000 1.279 271 R CB -0.739 29.471 30.300 -0.150 0.000 1.277 271 R HN 0.525 nan 8.270 nan 0.000 0.669 272 F N 0.997 121.021 119.950 0.123 0.000 2.449 272 F HA -0.131 4.395 4.527 -0.000 0.000 0.299 272 F C 1.244 177.193 175.800 0.248 0.000 1.092 272 F CA 0.303 58.411 58.000 0.181 0.000 1.446 272 F CB -0.201 38.965 39.000 0.277 0.000 1.084 272 F HN 0.276 nan 8.300 nan 0.000 0.567 273 M N 1.070 120.492 119.600 -0.297 0.000 2.476 273 M HA -0.072 4.407 4.480 -0.000 0.000 0.262 273 M C 1.816 178.133 176.300 0.029 0.000 1.079 273 M CA 0.987 56.225 55.300 -0.103 0.000 1.104 273 M CB -1.080 31.359 32.600 -0.269 0.000 1.409 273 M HN 0.385 nan 8.290 nan 0.000 0.467 274 E N -0.692 119.502 120.200 -0.010 0.000 2.152 274 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 274 E C 2.113 178.726 176.600 0.022 0.000 0.983 274 E CA 0.714 57.110 56.400 -0.006 0.000 0.818 274 E CB -0.053 29.621 29.700 -0.043 0.000 0.758 274 E HN 0.439 nan 8.360 nan 0.000 0.467 275 R N 0.036 120.555 120.500 0.032 0.000 2.062 275 R HA -0.105 4.234 4.340 -0.000 0.000 0.226 275 R C 1.729 178.009 176.300 -0.034 0.000 1.125 275 R CA 1.110 57.186 56.100 -0.041 0.000 0.966 275 R CB -0.090 30.133 30.300 -0.128 0.000 0.861 275 R HN 0.173 nan 8.270 nan 0.000 0.433 276 Y N -0.447 119.915 120.300 0.103 0.000 2.314 276 Y HA 0.098 4.648 4.550 -0.000 0.000 0.293 276 Y C 0.708 176.665 175.900 0.095 0.000 1.129 276 Y CA 0.970 59.138 58.100 0.114 0.000 1.201 276 Y CB 0.350 38.907 38.460 0.162 0.000 0.999 276 Y HN 0.154 nan 8.280 nan 0.000 0.541 277 A N -0.871 122.079 122.820 0.216 0.000 3.007 277 A HA 0.414 4.734 4.320 -0.000 0.000 0.314 277 A C -2.201 175.448 177.584 0.108 0.000 1.153 277 A CA -1.125 51.014 52.037 0.171 0.000 0.780 277 A CB 0.347 19.455 19.000 0.180 0.000 1.258 277 A HN -0.039 nan 8.150 nan 0.000 0.460 278 P HA -0.196 nan 4.420 nan 0.000 0.216 278 P C 1.244 178.566 177.300 0.036 0.000 1.150 278 P CA 1.518 64.643 63.100 0.042 0.000 0.843 278 P CB 0.288 32.007 31.700 0.030 0.000 0.787 279 N N -0.603 118.132 118.700 0.058 0.000 2.124 279 N HA -0.037 4.703 4.740 -0.000 0.000 0.189 279 N C 1.742 177.284 175.510 0.054 0.000 1.050 279 N CA 1.556 54.634 53.050 0.048 0.000 0.848 279 N CB -0.929 37.590 38.487 0.052 0.000 1.027 279 N HN 0.039 nan 8.380 nan 0.000 0.435 280 A N 0.728 123.610 122.820 0.102 0.000 2.123 280 A HA 0.017 4.337 4.320 -0.000 0.000 0.214 280 A C 0.949 178.553 177.584 0.034 0.000 1.152 280 A CA 0.513 52.604 52.037 0.090 0.000 0.728 280 A CB -0.074 19.035 19.000 0.182 0.000 0.814 280 A HN 0.325 nan 8.150 nan 0.000 0.464 281 K N -1.570 118.850 120.400 0.032 0.000 1.751 281 K HA -0.282 4.038 4.320 -0.000 0.000 0.134 281 K C 0.260 176.833 176.600 -0.044 0.000 1.167 281 K CA 1.933 58.215 56.287 -0.008 0.000 0.330 281 K CB -1.425 31.056 32.500 -0.032 0.000 0.663 281 K HN 0.380 nan 8.250 nan 0.000 0.817 282 D N 1.122 121.483 120.400 -0.064 0.000 2.378 282 D HA 0.057 4.697 4.640 -0.000 0.000 0.227 282 D C 0.565 176.800 176.300 -0.107 0.000 1.012 282 D CA 0.649 54.594 54.000 -0.091 0.000 0.905 282 D CB -0.002 40.766 40.800 -0.054 0.000 0.895 282 D HN 0.171 nan 8.370 nan 0.000 0.532 283 L N 0.178 121.349 121.223 -0.088 0.000 3.141 283 L HA 0.435 4.775 4.340 -0.000 0.000 0.267 283 L C 0.600 177.388 176.870 -0.137 0.000 1.281 283 L CA -0.634 54.139 54.840 -0.111 0.000 1.037 283 L CB 0.240 42.267 42.059 -0.054 0.000 1.407 283 L HN -0.040 nan 8.230 nan 0.000 0.566 284 A N 0.062 122.757 122.820 -0.208 0.000 2.310 284 A HA 0.571 4.891 4.320 -0.000 0.000 0.260 284 A C 0.914 178.050 177.584 -0.747 0.000 1.112 284 A CA 0.255 52.006 52.037 -0.477 0.000 0.804 284 A CB 0.038 18.836 19.000 -0.337 0.000 1.081 284 A HN 0.316 nan 8.150 nan 0.000 0.499 285 G N -0.812 107.049 108.800 -1.565 0.000 2.391 285 G HA2 0.233 4.193 3.960 -0.000 0.000 0.234 285 G HA3 0.233 4.193 3.960 -0.000 0.000 0.234 285 G C 0.776 175.421 174.900 -0.425 0.000 1.284 285 G CA -0.153 44.438 45.100 -0.848 0.000 0.873 285 G HN 0.794 nan 8.290 nan 0.000 0.549 286 R N 0.788 121.129 120.500 -0.265 0.000 2.091 286 R HA -0.134 4.206 4.340 -0.000 0.000 0.238 286 R C 2.381 178.593 176.300 -0.146 0.000 1.136 286 R CA 1.746 57.713 56.100 -0.221 0.000 0.959 286 R CB -0.137 30.041 30.300 -0.204 0.000 0.856 286 R HN 0.828 nan 8.270 nan 0.000 0.437 287 D N 0.298 120.648 120.400 -0.085 0.000 2.182 287 D HA -0.137 4.503 4.640 -0.000 0.000 0.201 287 D C 1.793 178.045 176.300 -0.080 0.000 0.986 287 D CA 1.060 55.032 54.000 -0.047 0.000 0.847 287 D CB -0.418 40.386 40.800 0.007 0.000 0.942 287 D HN 0.098 nan 8.370 nan 0.000 0.467 288 V N 0.809 120.668 119.914 -0.092 0.000 2.323 288 V HA -0.188 3.932 4.120 -0.000 0.000 0.244 288 V C 2.917 178.953 176.094 -0.097 0.000 1.041 288 V CA 1.167 63.430 62.300 -0.062 0.000 1.025 288 V CB -0.172 31.632 31.823 -0.033 0.000 0.656 288 V HN 0.110 nan 8.190 nan 0.000 0.451 289 V N 0.513 120.344 119.914 -0.139 0.000 2.407 289 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 289 V C 2.683 178.722 176.094 -0.093 0.000 1.055 289 V CA 1.832 64.061 62.300 -0.119 0.000 1.049 289 V CB -1.284 30.445 31.823 -0.156 0.000 0.662 289 V HN 0.539 nan 8.190 nan 0.000 0.455 290 A N 0.224 122.980 122.820 -0.107 0.000 1.877 290 A HA -0.226 4.094 4.320 -0.000 0.000 0.216 290 A C 2.434 179.933 177.584 -0.142 0.000 1.186 290 A CA 1.918 53.897 52.037 -0.097 0.000 0.620 290 A CB -0.495 18.456 19.000 -0.082 0.000 0.822 290 A HN 0.487 nan 8.150 nan 0.000 0.443 291 R N -0.329 120.063 120.500 -0.181 0.000 2.075 291 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 291 R C 2.580 178.819 176.300 -0.101 0.000 1.126 291 R CA 1.385 57.388 56.100 -0.162 0.000 0.963 291 R CB -0.393 29.825 30.300 -0.137 0.000 0.858 291 R HN 0.534 nan 8.270 nan 0.000 0.435 292 S N 1.313 116.857 115.700 -0.260 0.000 2.359 292 S HA -0.174 4.296 4.470 -0.000 0.000 0.223 292 S C 1.991 176.338 174.600 -0.420 0.000 1.039 292 S CA 1.388 59.173 58.200 -0.692 0.000 1.042 292 S CB -0.286 62.536 63.200 -0.631 0.000 0.915 292 S HN 0.238 nan 8.310 nan 0.000 0.439 293 I N 1.101 121.590 120.570 -0.134 0.000 2.264 293 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 293 I C 2.235 178.270 176.117 -0.137 0.000 1.111 293 I CA 0.996 62.225 61.300 -0.119 0.000 1.382 293 I CB -0.313 37.715 38.000 0.047 0.000 1.060 293 I HN 0.292 nan 8.210 nan 0.000 0.418 294 M N -0.107 119.466 119.600 -0.045 0.000 2.254 294 M HA -0.088 4.392 4.480 -0.000 0.000 0.265 294 M C 2.307 178.649 176.300 0.071 0.000 1.066 294 M CA 1.630 56.966 55.300 0.060 0.000 1.123 294 M CB -0.827 31.895 32.600 0.204 0.000 1.388 294 M HN 0.204 nan 8.290 nan 0.000 0.425 295 I N -0.388 120.209 120.570 0.044 0.000 2.286 295 I HA -0.228 3.941 4.170 -0.000 0.000 0.245 295 I C 2.336 178.439 176.117 -0.024 0.000 1.104 295 I CA 0.788 62.113 61.300 0.042 0.000 1.397 295 I CB -0.402 37.681 38.000 0.139 0.000 1.072 295 I HN 0.202 nan 8.210 nan 0.000 0.417 296 E N 1.058 121.176 120.200 -0.137 0.000 2.049 296 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 296 E C 2.300 178.815 176.600 -0.143 0.000 1.007 296 E CA 1.552 57.823 56.400 -0.215 0.000 0.809 296 E CB -0.369 28.977 29.700 -0.591 0.000 0.749 296 E HN 0.522 nan 8.360 nan 0.000 0.450 297 I N 0.353 120.846 120.570 -0.129 0.000 2.179 297 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 297 I C 2.651 178.739 176.117 -0.047 0.000 1.088 297 I CA 1.017 62.270 61.300 -0.079 0.000 1.357 297 I CB -0.195 37.777 38.000 -0.046 0.000 1.051 297 I HN -0.016 nan 8.210 nan 0.000 0.409 298 R N 0.702 121.183 120.500 -0.033 0.000 2.316 298 R HA -0.087 4.253 4.340 -0.000 0.000 0.202 298 R C 0.366 176.641 176.300 -0.042 0.000 1.029 298 R CA 0.737 56.818 56.100 -0.032 0.000 1.018 298 R CB 0.121 30.399 30.300 -0.037 0.000 0.888 298 R HN 0.410 nan 8.270 nan 0.000 0.471 299 E N -1.170 119.008 120.200 -0.036 0.000 2.815 299 E HA 0.173 4.523 4.350 -0.000 0.000 0.211 299 E C 0.172 176.763 176.600 -0.015 0.000 1.004 299 E CA 0.134 56.518 56.400 -0.027 0.000 1.173 299 E CB 1.304 30.992 29.700 -0.019 0.000 1.163 299 E HN 0.358 nan 8.360 nan 0.000 0.449 300 G N 1.872 110.657 108.800 -0.026 0.000 2.212 300 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.267 300 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.267 300 G C 0.946 175.825 174.900 -0.035 0.000 1.002 300 G CA 0.461 45.545 45.100 -0.026 0.000 0.729 300 G HN 0.352 nan 8.290 nan 0.000 0.517 301 R N 0.183 120.658 120.500 -0.041 0.000 2.359 301 R HA 0.282 4.622 4.340 -0.000 0.000 0.231 301 R C 1.693 177.906 176.300 -0.146 0.000 0.913 301 R CA 0.321 56.384 56.100 -0.062 0.000 1.075 301 R CB 0.390 30.712 30.300 0.036 0.000 1.087 301 R HN 0.366 nan 8.270 nan 0.000 0.515 302 G N 0.115 108.826 108.800 -0.148 0.000 2.580 302 G HA2 0.285 4.245 3.960 -0.000 0.000 0.278 302 G HA3 0.285 4.245 3.960 -0.000 0.000 0.278 302 G C -0.116 174.649 174.900 -0.225 0.000 1.212 302 G CA -0.565 44.423 45.100 -0.187 0.000 0.939 302 G HN 0.133 nan 8.290 nan 0.000 0.513 303 C N -0.755 118.320 119.300 -0.375 0.000 2.354 303 C HA 0.731 5.191 4.460 -0.000 0.000 0.381 303 C C 0.266 175.077 174.990 -0.298 0.000 1.240 303 C CA -0.616 58.175 59.018 -0.378 0.000 2.089 303 C CB 1.673 29.110 27.740 -0.504 0.000 2.234 303 C HN 0.799 nan 8.230 nan 0.000 0.544 304 D N -1.835 118.557 120.400 -0.013 0.000 2.837 304 D HA 0.664 5.304 4.640 -0.000 0.000 0.294 304 D C -0.090 176.467 176.300 0.428 0.000 1.158 304 D CA 0.684 54.812 54.000 0.212 0.000 1.073 304 D CB 2.372 43.239 40.800 0.112 0.000 1.419 304 D HN 0.967 nan 8.370 nan 0.000 0.584 305 G N -0.300 108.684 108.800 0.308 0.000 2.302 305 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.276 305 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.276 305 G C -2.394 172.471 174.900 -0.058 0.000 1.316 305 G CA -0.294 44.897 45.100 0.152 0.000 0.988 305 G HN 0.320 nan 8.290 nan 0.000 0.479 306 P HA -0.020 nan 4.420 nan 0.000 0.217 306 P C 1.378 178.490 177.300 -0.313 0.000 1.148 306 P CA 1.700 64.497 63.100 -0.506 0.000 0.828 306 P CB 0.003 31.194 31.700 -0.848 0.000 0.783 307 W N -0.389 120.921 121.300 0.016 0.000 2.770 307 W HA 0.314 4.974 4.660 -0.000 0.000 0.256 307 W C 1.077 177.630 176.519 0.056 0.000 1.291 307 W CA 0.900 58.243 57.345 -0.003 0.000 1.396 307 W CB -0.945 28.429 29.460 -0.142 0.000 1.114 307 W HN 0.029 nan 8.180 nan 0.000 0.637 308 G N 0.498 109.496 108.800 0.330 0.000 2.728 308 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.294 308 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.294 308 G C -2.943 172.185 174.900 0.379 0.000 1.342 308 G CA -1.365 43.895 45.100 0.268 0.000 0.866 308 G HN -0.261 nan 8.290 nan 0.000 0.534 309 P HA 0.251 nan 4.420 nan 0.000 0.262 309 P C -0.006 177.428 177.300 0.223 0.000 1.182 309 P CA 1.104 64.297 63.100 0.155 0.000 0.761 309 P CB 0.275 32.024 31.700 0.081 0.000 0.795 310 H N 0.570 119.668 119.070 0.047 0.000 2.935 310 H HA 0.678 5.233 4.556 -0.000 0.000 0.297 310 H C -1.844 173.485 175.328 0.002 0.000 1.423 310 H CA -1.196 54.865 56.048 0.022 0.000 1.161 310 H CB 0.490 30.257 29.762 0.010 0.000 1.841 310 H HN 0.399 nan 8.280 nan 0.000 0.506 311 A N 1.365 124.253 122.820 0.114 0.000 2.311 311 A HA 0.532 4.852 4.320 -0.000 0.000 0.334 311 A C -0.318 177.384 177.584 0.196 0.000 1.139 311 A CA -0.951 51.152 52.037 0.109 0.000 0.830 311 A CB 1.131 20.254 19.000 0.205 0.000 1.234 311 A HN 0.503 nan 8.150 nan 0.000 0.483 312 K N 0.949 121.440 120.400 0.152 0.000 2.211 312 K HA 0.374 4.694 4.320 -0.000 0.000 0.275 312 K C -1.490 175.136 176.600 0.043 0.000 1.024 312 K CA -0.501 55.840 56.287 0.089 0.000 0.887 312 K CB 1.619 34.156 32.500 0.062 0.000 1.084 312 K HN 0.509 nan 8.250 nan 0.000 0.463 313 L N 3.831 125.040 121.223 -0.023 0.000 2.283 313 L HA 0.270 4.610 4.340 -0.000 0.000 0.281 313 L C -0.237 176.561 176.870 -0.121 0.000 1.033 313 L CA -0.177 54.625 54.840 -0.064 0.000 0.848 313 L CB 0.680 42.706 42.059 -0.054 0.000 1.226 313 L HN 0.415 nan 8.230 nan 0.000 0.429 314 K N 5.079 125.353 120.400 -0.210 0.000 2.276 314 K HA 0.367 4.686 4.320 -0.000 0.000 0.285 314 K C -0.177 176.299 176.600 -0.206 0.000 1.062 314 K CA -0.271 55.872 56.287 -0.240 0.000 0.918 314 K CB 0.660 32.942 32.500 -0.364 0.000 1.055 314 K HN 0.886 nan 8.250 nan 0.000 0.477 315 L N 3.509 124.645 121.223 -0.146 0.000 2.803 315 L HA 0.020 4.359 4.340 -0.000 0.000 0.246 315 L C 1.670 178.360 176.870 -0.300 0.000 1.100 315 L CA -0.149 54.542 54.840 -0.248 0.000 0.919 315 L CB 0.034 41.991 42.059 -0.171 0.000 1.285 315 L HN 0.786 nan 8.230 nan 0.000 0.522 316 D N 1.169 121.506 120.400 -0.106 0.000 2.172 316 D HA -0.323 4.317 4.640 -0.000 0.000 0.196 316 D C 1.559 177.825 176.300 -0.058 0.000 0.999 316 D CA 1.972 55.938 54.000 -0.056 0.000 0.856 316 D CB -0.580 40.224 40.800 0.007 0.000 0.934 316 D HN 0.601 nan 8.370 nan 0.000 0.453 317 H N 0.692 119.745 119.070 -0.028 0.000 2.561 317 H HA 0.047 4.603 4.556 -0.000 0.000 0.278 317 H C 2.094 177.430 175.328 0.014 0.000 1.014 317 H CA 0.204 56.256 56.048 0.007 0.000 1.211 317 H CB -0.507 29.280 29.762 0.041 0.000 1.365 317 H HN 0.274 nan 8.280 nan 0.000 0.594 318 L N 0.372 121.365 121.223 -0.384 0.000 2.492 318 L HA 0.201 4.541 4.340 -0.000 0.000 0.223 318 L C 0.957 177.771 176.870 -0.093 0.000 1.132 318 L CA 0.445 55.151 54.840 -0.223 0.000 0.850 318 L CB -0.204 41.699 42.059 -0.260 0.000 0.966 318 L HN 0.528 nan 8.230 nan 0.000 0.454 319 G N 0.732 109.487 108.800 -0.075 0.000 2.705 319 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.686 319 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.686 319 G C 0.277 175.154 174.900 -0.039 0.000 1.285 319 G CA 0.023 45.102 45.100 -0.035 0.000 0.800 319 G HN 0.113 nan 8.290 nan 0.000 0.611 320 K N 0.112 120.497 120.400 -0.026 0.000 2.044 320 K HA -0.173 4.147 4.320 -0.000 0.000 0.210 320 K C 2.257 178.840 176.600 -0.027 0.000 1.049 320 K CA 2.208 58.479 56.287 -0.026 0.000 0.927 320 K CB -0.172 32.317 32.500 -0.017 0.000 0.713 320 K HN 0.676 nan 8.250 nan 0.000 0.443 321 E N 0.028 120.215 120.200 -0.023 0.000 2.031 321 E HA -0.178 4.172 4.350 -0.000 0.000 0.193 321 E C 1.897 178.479 176.600 -0.031 0.000 0.994 321 E CA 1.568 57.954 56.400 -0.024 0.000 0.800 321 E CB 0.076 29.766 29.700 -0.017 0.000 0.752 321 E HN 0.141 nan 8.360 nan 0.000 0.447 322 V N 1.396 121.291 119.914 -0.031 0.000 2.343 322 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 322 V C 2.502 178.571 176.094 -0.041 0.000 1.051 322 V CA 1.492 63.771 62.300 -0.036 0.000 1.036 322 V CB -0.449 31.356 31.823 -0.030 0.000 0.654 322 V HN 0.344 nan 8.190 nan 0.000 0.451 323 L N -0.434 120.762 121.223 -0.046 0.000 2.017 323 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 323 L C 2.591 179.438 176.870 -0.038 0.000 1.073 323 L CA 1.750 56.562 54.840 -0.046 0.000 0.745 323 L CB -0.549 41.477 42.059 -0.054 0.000 0.894 323 L HN 0.371 nan 8.230 nan 0.000 0.432 324 E N -0.842 119.336 120.200 -0.036 0.000 2.204 324 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 324 E C 2.277 178.854 176.600 -0.038 0.000 0.989 324 E CA 1.298 57.677 56.400 -0.034 0.000 0.824 324 E CB 0.078 29.759 29.700 -0.031 0.000 0.756 324 E HN 0.385 nan 8.360 nan 0.000 0.477 325 S N 0.228 115.901 115.700 -0.045 0.000 2.387 325 S HA -0.014 4.456 4.470 -0.000 0.000 0.221 325 S C 1.907 176.465 174.600 -0.068 0.000 1.041 325 S CA 0.251 58.417 58.200 -0.058 0.000 0.959 325 S CB 0.210 63.370 63.200 -0.066 0.000 0.843 325 S HN 0.033 nan 8.310 nan 0.000 0.488 326 R N 0.723 121.185 120.500 -0.063 0.000 2.127 326 R HA 0.357 4.696 4.340 -0.000 0.000 0.217 326 R C 0.659 176.958 176.300 -0.002 0.000 1.074 326 R CA 0.574 56.644 56.100 -0.051 0.000 0.991 326 R CB -0.677 29.608 30.300 -0.025 0.000 0.895 326 R HN 0.454 nan 8.270 nan 0.000 0.450 327 L N 1.537 122.756 121.223 -0.007 0.000 3.186 327 L HA 0.256 4.596 4.340 -0.000 0.000 0.317 327 L C -1.703 175.160 176.870 -0.011 0.000 1.296 327 L CA -0.979 53.863 54.840 0.004 0.000 0.870 327 L CB 1.447 43.510 42.059 0.005 0.000 1.302 327 L HN -0.111 nan 8.230 nan 0.000 0.590 328 P HA -0.157 nan 4.420 nan 0.000 0.216 328 P C 1.671 178.958 177.300 -0.022 0.000 1.150 328 P CA 1.619 64.703 63.100 -0.026 0.000 0.837 328 P CB 0.308 31.988 31.700 -0.034 0.000 0.786 329 G N 1.331 110.121 108.800 -0.017 0.000 2.446 329 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.217 329 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.217 329 G C 1.477 176.378 174.900 0.002 0.000 1.168 329 G CA 1.352 46.444 45.100 -0.013 0.000 0.771 329 G HN 0.419 nan 8.290 nan 0.000 0.551 330 I N -1.277 119.295 120.570 0.003 0.000 2.928 330 I HA 0.188 4.358 4.170 -0.000 0.000 0.266 330 I C 2.307 178.423 176.117 -0.003 0.000 1.234 330 I CA 0.510 61.812 61.300 0.005 0.000 1.483 330 I CB -0.264 37.734 38.000 -0.002 0.000 1.097 330 I HN 0.051 nan 8.210 nan 0.000 0.455 331 L N 0.638 121.853 121.223 -0.013 0.000 2.012 331 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 331 L C 2.685 179.543 176.870 -0.020 0.000 1.073 331 L CA 1.874 56.702 54.840 -0.020 0.000 0.748 331 L CB -0.622 41.421 42.059 -0.026 0.000 0.891 331 L HN 0.350 nan 8.230 nan 0.000 0.431 332 E N -0.034 120.156 120.200 -0.017 0.000 2.047 332 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 332 E C 2.397 178.994 176.600 -0.005 0.000 0.987 332 E CA 0.795 57.180 56.400 -0.025 0.000 0.799 332 E CB -0.013 29.672 29.700 -0.026 0.000 0.752 332 E HN 0.387 nan 8.360 nan 0.000 0.449 333 L N 0.420 121.676 121.223 0.054 0.000 2.013 333 L HA -0.249 4.091 4.340 -0.000 0.000 0.212 333 L C 2.693 179.658 176.870 0.157 0.000 1.073 333 L CA 1.231 56.171 54.840 0.167 0.000 0.753 333 L CB -0.525 41.620 42.059 0.142 0.000 0.890 333 L HN 0.171 nan 8.230 nan 0.000 0.432 334 S N -0.148 115.589 115.700 0.061 0.000 2.356 334 S HA -0.190 4.280 4.470 -0.000 0.000 0.223 334 S C 2.105 176.704 174.600 -0.002 0.000 1.032 334 S CA 1.261 59.481 58.200 0.034 0.000 1.005 334 S CB -0.095 63.102 63.200 -0.005 0.000 0.867 334 S HN 0.315 nan 8.310 nan 0.000 0.449 335 R N -0.150 120.322 120.500 -0.047 0.000 2.120 335 R HA -0.027 4.313 4.340 -0.000 0.000 0.234 335 R C 2.398 178.537 176.300 -0.268 0.000 1.123 335 R CA 1.850 57.888 56.100 -0.104 0.000 0.975 335 R CB -0.578 29.669 30.300 -0.088 0.000 0.866 335 R HN 0.403 nan 8.270 nan 0.000 0.446 336 T N -0.287 114.092 114.554 -0.292 0.000 2.852 336 T HA 0.012 4.361 4.350 -0.000 0.000 0.256 336 T C 0.983 175.274 174.700 -0.681 0.000 1.038 336 T CA 1.031 62.784 62.100 -0.578 0.000 1.141 336 T CB -0.010 68.424 68.868 -0.723 0.000 0.869 336 T HN 0.086 nan 8.240 nan 0.000 0.439 337 F N 0.303 120.191 119.950 -0.103 0.000 2.721 337 F HA 0.541 5.068 4.527 -0.000 0.000 0.301 337 F C 1.870 177.748 175.800 0.130 0.000 1.096 337 F CA -0.285 57.721 58.000 0.011 0.000 1.308 337 F CB 0.195 39.213 39.000 0.029 0.000 1.086 337 F HN 0.136 nan 8.300 nan 0.000 0.587 338 A N -1.968 121.001 122.820 0.247 0.000 2.390 338 A HA 0.260 4.580 4.320 -0.000 0.000 0.225 338 A C 0.187 178.087 177.584 0.526 0.000 1.232 338 A CA -0.074 52.220 52.037 0.428 0.000 0.964 338 A CB -0.635 18.480 19.000 0.192 0.000 1.064 338 A HN 0.411 nan 8.150 nan 0.000 0.525 339 H N -1.442 117.737 119.070 0.182 0.000 2.820 339 H HA -0.139 4.417 4.556 -0.000 0.000 0.295 339 H C -0.537 174.884 175.328 0.155 0.000 1.187 339 H CA 0.786 56.910 56.048 0.126 0.000 1.144 339 H CB -2.039 27.778 29.762 0.092 0.000 1.354 339 H HN 0.230 nan 8.280 nan 0.000 0.395 340 V N 0.683 120.703 119.914 0.178 0.000 2.487 340 V HA 0.196 4.316 4.120 -0.000 0.000 0.298 340 V C 0.200 176.318 176.094 0.040 0.000 1.028 340 V CA -0.871 61.501 62.300 0.119 0.000 0.860 340 V CB 2.010 33.867 31.823 0.057 0.000 0.991 340 V HN 0.279 nan 8.190 nan 0.000 0.427 341 D N 6.811 127.232 120.400 0.035 0.000 2.316 341 D HA 0.318 4.958 4.640 -0.000 0.000 0.245 341 D C -1.778 174.517 176.300 -0.008 0.000 1.171 341 D CA -2.086 51.919 54.000 0.008 0.000 0.856 341 D CB 2.138 42.946 40.800 0.013 0.000 1.090 341 D HN 0.202 nan 8.370 nan 0.000 0.476 342 P HA -0.048 nan 4.420 nan 0.000 0.233 342 P C 1.237 178.512 177.300 -0.042 0.000 1.167 342 P CA 0.228 63.304 63.100 -0.041 0.000 0.770 342 P CB 0.414 32.084 31.700 -0.049 0.000 0.837 343 V N -0.022 119.874 119.914 -0.030 0.000 2.809 343 V HA -0.117 4.003 4.120 -0.000 0.000 0.256 343 V C 1.921 178.006 176.094 -0.015 0.000 1.080 343 V CA 1.602 63.885 62.300 -0.028 0.000 1.102 343 V CB -0.753 31.058 31.823 -0.021 0.000 0.705 343 V HN 0.215 nan 8.190 nan 0.000 0.475 344 K N -0.574 119.823 120.400 -0.005 0.000 2.436 344 K HA 0.320 4.640 4.320 -0.000 0.000 0.198 344 K C 0.603 177.210 176.600 0.012 0.000 1.174 344 K CA 0.114 56.406 56.287 0.009 0.000 0.951 344 K CB 1.496 34.007 32.500 0.017 0.000 1.040 344 K HN 0.408 nan 8.250 nan 0.000 0.536 345 E N 1.304 121.505 120.200 0.002 0.000 2.372 345 E HA 0.289 4.638 4.350 -0.000 0.000 0.279 345 E C -2.941 173.639 176.600 -0.034 0.000 0.946 345 E CA -2.222 54.178 56.400 -0.000 0.000 0.769 345 E CB 2.751 32.465 29.700 0.023 0.000 1.230 345 E HN -0.245 nan 8.360 nan 0.000 0.442 346 P HA 0.148 nan 4.420 nan 0.000 0.269 346 P C -0.566 176.652 177.300 -0.137 0.000 1.215 346 P CA 0.184 63.234 63.100 -0.083 0.000 0.780 346 P CB 0.436 32.098 31.700 -0.064 0.000 0.898 347 I N 4.056 124.538 120.570 -0.147 0.000 2.342 347 I HA 0.209 4.379 4.170 -0.000 0.000 0.291 347 I C -1.869 174.079 176.117 -0.281 0.000 1.010 347 I CA -2.457 58.717 61.300 -0.210 0.000 1.308 347 I CB 1.113 39.032 38.000 -0.135 0.000 1.400 347 I HN 0.155 nan 8.210 nan 0.000 0.488 348 P HA 0.063 nan 4.420 nan 0.000 0.269 348 P C -0.575 176.519 177.300 -0.344 0.000 1.263 348 P CA 0.060 62.734 63.100 -0.711 0.000 0.813 348 P CB 0.426 31.089 31.700 -1.729 0.000 0.868 349 V N 2.794 122.654 119.914 -0.090 0.000 2.815 349 V HA 0.743 4.863 4.120 -0.000 0.000 0.314 349 V C -0.369 175.767 176.094 0.070 0.000 1.064 349 V CA -1.217 61.075 62.300 -0.013 0.000 0.952 349 V CB 2.535 34.360 31.823 0.004 0.000 1.020 349 V HN 0.441 nan 8.190 nan 0.000 0.439 350 I N 2.124 122.736 120.570 0.069 0.000 2.827 350 I HA 0.612 4.782 4.170 -0.000 0.000 0.298 350 I C -2.839 173.330 176.117 0.088 0.000 1.235 350 I CA -2.442 58.911 61.300 0.088 0.000 1.021 350 I CB 3.186 41.248 38.000 0.103 0.000 1.259 350 I HN 0.542 nan 8.210 nan 0.000 0.427 351 P HA 0.104 nan 4.420 nan 0.000 0.262 351 P C -1.387 176.029 177.300 0.192 0.000 1.182 351 P CA 0.352 63.525 63.100 0.122 0.000 0.761 351 P CB 0.356 32.092 31.700 0.061 0.000 0.795 352 T N 2.063 116.754 114.554 0.228 0.000 2.900 352 T HA 0.219 4.568 4.350 -0.000 0.000 0.295 352 T C -0.496 174.265 174.700 0.102 0.000 1.044 352 T CA -0.470 61.746 62.100 0.194 0.000 0.995 352 T CB 1.101 70.020 68.868 0.085 0.000 1.072 352 T HN 0.411 nan 8.240 nan 0.000 0.473 353 C N 2.858 122.049 119.300 -0.181 0.000 2.590 353 C HA 0.237 4.697 4.460 -0.000 0.000 0.411 353 C C 1.379 176.257 174.990 -0.188 0.000 1.420 353 C CA 0.839 59.402 59.018 -0.759 0.000 1.643 353 C CB -1.365 25.794 27.740 -0.968 0.000 2.528 353 C HN 1.138 nan 8.230 nan 0.000 0.606 354 H N 2.292 121.251 119.070 -0.185 0.000 2.312 354 H HA 0.291 4.847 4.556 -0.000 0.000 0.215 354 H C -0.821 174.624 175.328 0.195 0.000 0.870 354 H CA 0.571 56.651 56.048 0.054 0.000 0.982 354 H CB 0.295 30.138 29.762 0.136 0.000 1.330 354 H HN 0.752 nan 8.280 nan 0.000 0.399 355 Y N 0.733 121.032 120.300 -0.003 0.000 2.513 355 Y HA 0.352 4.902 4.550 -0.000 0.000 0.340 355 Y C -1.447 174.316 175.900 -0.228 0.000 1.055 355 Y CA -1.197 56.821 58.100 -0.138 0.000 1.020 355 Y CB 1.649 40.004 38.460 -0.174 0.000 1.301 355 Y HN 0.099 nan 8.280 nan 0.000 0.453 356 M N 7.446 126.425 119.600 -1.035 0.000 2.111 356 M HA 0.218 4.698 4.480 -0.000 0.000 0.351 356 M C -0.396 175.417 176.300 -0.812 0.000 1.214 356 M CA -0.327 54.217 55.300 -1.260 0.000 1.120 356 M CB 0.895 32.752 32.600 -1.237 0.000 1.443 356 M HN 1.086 nan 8.290 nan 0.000 0.429 357 M N 2.810 122.203 119.600 -0.345 0.000 2.296 357 M HA 0.067 4.547 4.480 -0.000 0.000 0.265 357 M C 1.246 177.482 176.300 -0.105 0.000 1.064 357 M CA 1.087 56.395 55.300 0.014 0.000 1.109 357 M CB -0.229 32.413 32.600 0.071 0.000 1.396 357 M HN 0.737 nan 8.290 nan 0.000 0.430 358 G N -1.189 107.433 108.800 -0.295 0.000 2.553 358 G HA2 0.532 4.492 3.960 -0.000 0.000 0.278 358 G HA3 0.532 4.492 3.960 -0.000 0.000 0.278 358 G C 0.136 174.904 174.900 -0.218 0.000 1.349 358 G CA -0.130 44.837 45.100 -0.222 0.000 1.037 358 G HN 0.598 nan 8.290 nan 0.000 0.508 359 G N -1.845 106.860 108.800 -0.159 0.000 2.332 359 G HA2 0.209 4.169 3.960 -0.000 0.000 0.265 359 G HA3 0.209 4.169 3.960 -0.000 0.000 0.265 359 G C -0.980 173.862 174.900 -0.097 0.000 1.329 359 G CA -0.667 44.353 45.100 -0.133 0.000 0.949 359 G HN 0.756 nan 8.290 nan 0.000 0.476 360 I N 3.242 123.759 120.570 -0.088 0.000 2.396 360 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 360 I C -1.752 174.303 176.117 -0.103 0.000 1.056 360 I CA -1.652 59.602 61.300 -0.077 0.000 1.365 360 I CB 1.446 39.409 38.000 -0.062 0.000 1.407 360 I HN 0.158 nan 8.210 nan 0.000 0.509 361 P HA 0.030 nan 4.420 nan 0.000 0.263 361 P C -0.411 176.806 177.300 -0.138 0.000 1.195 361 P CA 0.136 63.151 63.100 -0.142 0.000 0.762 361 P CB 0.408 32.032 31.700 -0.127 0.000 0.799 362 T N 0.287 114.746 114.554 -0.159 0.000 2.896 362 T HA 0.546 4.895 4.350 -0.000 0.000 0.297 362 T C -0.187 174.419 174.700 -0.157 0.000 1.108 362 T CA -1.035 60.975 62.100 -0.151 0.000 1.004 362 T CB 1.838 70.624 68.868 -0.136 0.000 1.159 362 T HN 0.068 nan 8.240 nan 0.000 0.499 363 K N 0.350 120.668 120.400 -0.136 0.000 2.102 363 K HA 0.514 4.833 4.320 -0.000 0.000 0.244 363 K C 1.326 177.850 176.600 -0.126 0.000 1.021 363 K CA -0.539 55.673 56.287 -0.124 0.000 0.913 363 K CB 0.572 33.006 32.500 -0.110 0.000 1.062 363 K HN 0.391 nan 8.250 nan 0.000 0.485 364 V N 0.969 120.807 119.914 -0.126 0.000 2.469 364 V HA -0.265 3.854 4.120 -0.000 0.000 0.251 364 V C 2.178 178.258 176.094 -0.023 0.000 1.064 364 V CA 2.433 64.675 62.300 -0.098 0.000 1.066 364 V CB -0.861 30.825 31.823 -0.228 0.000 0.667 364 V HN 1.080 nan 8.190 nan 0.000 0.461 365 T N -2.691 111.828 114.554 -0.057 0.000 2.929 365 T HA 0.064 4.414 4.350 -0.000 0.000 0.271 365 T C 1.618 176.425 174.700 0.177 0.000 1.085 365 T CA 1.642 63.772 62.100 0.051 0.000 1.125 365 T CB 0.151 69.017 68.868 -0.002 0.000 0.874 365 T HN 0.957 nan 8.240 nan 0.000 0.494 366 G N 0.348 109.217 108.800 0.114 0.000 2.278 366 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.210 366 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.210 366 G C -0.036 174.928 174.900 0.106 0.000 1.000 366 G CA -0.145 45.063 45.100 0.180 0.000 0.635 366 G HN 0.671 nan 8.290 nan 0.000 0.495 367 Q N 1.242 121.004 119.800 -0.064 0.000 2.283 367 Q HA 0.480 4.820 4.340 -0.000 0.000 0.301 367 Q C 0.722 176.531 176.000 -0.319 0.000 1.063 367 Q CA 0.415 55.911 55.803 -0.512 0.000 0.952 367 Q CB 0.875 29.361 28.738 -0.419 0.000 1.166 367 Q HN 0.842 nan 8.270 nan 0.000 0.381 368 A N 3.738 126.348 122.820 -0.350 0.000 2.371 368 A HA 0.499 4.819 4.320 -0.000 0.000 0.257 368 A C -0.476 177.001 177.584 -0.178 0.000 1.089 368 A CA -0.422 51.493 52.037 -0.203 0.000 0.794 368 A CB 0.420 19.327 19.000 -0.154 0.000 1.029 368 A HN 0.698 nan 8.150 nan 0.000 0.488 369 L N 0.816 121.959 121.223 -0.133 0.000 2.330 369 L HA 0.735 5.075 4.340 -0.000 0.000 0.271 369 L C 0.492 177.310 176.870 -0.086 0.000 1.013 369 L CA -0.462 54.313 54.840 -0.109 0.000 0.816 369 L CB 2.223 44.222 42.059 -0.099 0.000 1.287 369 L HN 0.802 nan 8.230 nan 0.000 0.435 370 T N 0.480 114.989 114.554 -0.074 0.000 2.838 370 T HA 0.701 5.051 4.350 -0.000 0.000 0.292 370 T C -1.340 173.329 174.700 -0.052 0.000 1.113 370 T CA -0.473 61.591 62.100 -0.060 0.000 1.008 370 T CB 1.894 70.727 68.868 -0.058 0.000 1.259 370 T HN 0.417 nan 8.240 nan 0.000 0.520 371 V N 2.025 121.911 119.914 -0.046 0.000 2.715 371 V HA 0.779 4.899 4.120 -0.000 0.000 0.310 371 V C 0.012 176.083 176.094 -0.039 0.000 1.054 371 V CA -1.170 61.107 62.300 -0.039 0.000 0.928 371 V CB 1.301 33.104 31.823 -0.033 0.000 1.007 371 V HN 1.014 nan 8.190 nan 0.000 0.437 372 N N 2.182 120.862 118.700 -0.033 0.000 2.366 372 N HA 0.168 4.908 4.740 -0.000 0.000 0.277 372 N C 0.976 176.468 175.510 -0.029 0.000 1.275 372 N CA -0.059 52.973 53.050 -0.030 0.000 0.964 372 N CB 0.084 38.556 38.487 -0.026 0.000 1.167 372 N HN 0.827 nan 8.380 nan 0.000 0.568 373 E N -0.176 120.008 120.200 -0.026 0.000 2.265 373 E HA -0.222 4.128 4.350 -0.000 0.000 0.196 373 E C 0.238 176.825 176.600 -0.021 0.000 0.996 373 E CA 1.226 57.611 56.400 -0.025 0.000 0.832 373 E CB -0.396 29.290 29.700 -0.022 0.000 0.756 373 E HN 0.693 nan 8.360 nan 0.000 0.491 374 K N 0.133 120.522 120.400 -0.018 0.000 2.458 374 K HA 0.188 4.508 4.320 -0.000 0.000 0.194 374 K C 1.073 177.664 176.600 -0.014 0.000 1.024 374 K CA 0.420 56.698 56.287 -0.015 0.000 1.108 374 K CB 0.434 32.926 32.500 -0.013 0.000 0.846 374 K HN 0.316 nan 8.250 nan 0.000 0.518 375 G N 1.587 110.377 108.800 -0.017 0.000 2.195 375 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.246 375 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.246 375 G C -0.273 174.619 174.900 -0.012 0.000 0.984 375 G CA -0.141 44.951 45.100 -0.014 0.000 0.633 375 G HN 0.410 nan 8.290 nan 0.000 0.525 376 E N 1.253 121.444 120.200 -0.015 0.000 2.343 376 E HA 0.421 4.771 4.350 -0.000 0.000 0.269 376 E C -0.542 176.045 176.600 -0.021 0.000 1.047 376 E CA -0.608 55.783 56.400 -0.015 0.000 0.874 376 E CB 0.600 30.291 29.700 -0.015 0.000 1.033 376 E HN 0.236 nan 8.360 nan 0.000 0.409 377 D N 1.448 121.835 120.400 -0.022 0.000 2.425 377 D HA 0.149 4.789 4.640 -0.000 0.000 0.247 377 D C -0.536 175.741 176.300 -0.038 0.000 1.147 377 D CA 0.048 54.029 54.000 -0.032 0.000 0.879 377 D CB 0.970 41.749 40.800 -0.033 0.000 1.179 377 D HN 0.180 nan 8.370 nan 0.000 0.456 378 V N -0.368 119.517 119.914 -0.047 0.000 2.876 378 V HA 0.551 4.671 4.120 -0.000 0.000 0.312 378 V C -0.240 175.811 176.094 -0.071 0.000 1.085 378 V CA -0.986 61.282 62.300 -0.052 0.000 0.945 378 V CB 1.828 33.625 31.823 -0.044 0.000 1.017 378 V HN 0.208 nan 8.190 nan 0.000 0.428 379 V N 3.796 123.661 119.914 -0.082 0.000 2.637 379 V HA 0.222 4.342 4.120 -0.000 0.000 0.296 379 V C 0.506 176.533 176.094 -0.112 0.000 1.046 379 V CA -0.195 62.036 62.300 -0.116 0.000 1.066 379 V CB 1.376 33.120 31.823 -0.131 0.000 0.968 379 V HN 0.774 nan 8.190 nan 0.000 0.483 380 V N 7.894 127.725 119.914 -0.137 0.000 2.405 380 V HA 0.193 4.313 4.120 -0.000 0.000 0.264 380 V C -2.037 173.972 176.094 -0.140 0.000 1.048 380 V CA -1.428 60.802 62.300 -0.116 0.000 0.966 380 V CB 0.788 32.546 31.823 -0.109 0.000 1.015 380 V HN 0.803 nan 8.190 nan 0.000 0.477 381 P HA 0.290 nan 4.420 nan 0.000 0.271 381 P C 0.988 178.276 177.300 -0.021 0.000 1.216 381 P CA 0.804 63.866 63.100 -0.062 0.000 0.776 381 P CB 0.885 32.573 31.700 -0.019 0.000 0.881 382 G N 1.029 109.852 108.800 0.039 0.000 2.179 382 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.260 382 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.260 382 G C -0.382 174.647 174.900 0.214 0.000 0.977 382 G CA 0.126 45.327 45.100 0.170 0.000 0.641 382 G HN 0.603 nan 8.290 nan 0.000 0.533 383 L N 0.239 121.468 121.223 0.009 0.000 2.362 383 L HA 0.914 5.254 4.340 -0.000 0.000 0.275 383 L C -0.814 175.927 176.870 -0.215 0.000 0.998 383 L CA -1.395 53.461 54.840 0.027 0.000 0.820 383 L CB 1.172 43.210 42.059 -0.035 0.000 1.270 383 L HN 0.055 nan 8.230 nan 0.000 0.415 384 F N 3.244 123.182 119.950 -0.021 0.000 2.613 384 F HA 0.892 5.419 4.527 -0.000 0.000 0.314 384 F C -0.095 175.685 175.800 -0.033 0.000 1.075 384 F CA -0.643 57.342 58.000 -0.024 0.000 0.945 384 F CB 2.276 41.268 39.000 -0.013 0.000 1.310 384 F HN 0.609 nan 8.300 nan 0.000 0.467 385 A N 1.134 124.041 122.820 0.144 0.000 2.520 385 A HA 0.854 5.174 4.320 -0.000 0.000 0.298 385 A C -1.594 176.021 177.584 0.051 0.000 1.051 385 A CA -0.755 51.320 52.037 0.063 0.000 0.690 385 A CB 1.606 20.606 19.000 -0.000 0.000 1.281 385 A HN 1.076 nan 8.150 nan 0.000 0.402 386 V N -0.573 119.367 119.914 0.044 0.000 3.007 386 V HA 1.017 5.136 4.120 -0.000 0.000 0.311 386 V C 0.493 176.617 176.094 0.050 0.000 1.120 386 V CA 0.099 62.434 62.300 0.059 0.000 0.980 386 V CB 0.821 32.702 31.823 0.095 0.000 1.033 386 V HN 2.928 nan 8.190 nan 0.000 0.429 387 G N 1.795 110.645 108.800 0.084 0.000 2.568 387 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.222 387 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.222 387 G C 0.513 175.452 174.900 0.064 0.000 1.321 387 G CA 0.851 46.008 45.100 0.096 0.000 0.893 387 G HN 1.407 nan 8.290 nan 0.000 0.569 388 E N -0.756 119.462 120.200 0.030 0.000 2.110 388 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 388 E C 2.535 179.040 176.600 -0.159 0.000 0.988 388 E CA 1.583 57.927 56.400 -0.094 0.000 0.804 388 E CB -0.140 29.425 29.700 -0.225 0.000 0.745 388 E HN 0.552 nan 8.360 nan 0.000 0.458 389 I N 0.761 121.266 120.570 -0.108 0.000 2.850 389 I HA -0.071 4.099 4.170 -0.000 0.000 0.266 389 I C 0.508 176.568 176.117 -0.094 0.000 1.257 389 I CA 0.506 61.741 61.300 -0.107 0.000 1.465 389 I CB -0.456 37.501 38.000 -0.071 0.000 1.091 389 I HN 0.098 nan 8.210 nan 0.000 0.467 390 A N -0.584 122.192 122.820 -0.074 0.000 2.279 390 A HA 0.507 4.827 4.320 -0.000 0.000 0.303 390 A C -0.323 177.204 177.584 -0.096 0.000 1.108 390 A CA -0.350 51.637 52.037 -0.084 0.000 0.830 390 A CB 0.710 19.660 19.000 -0.083 0.000 1.106 390 A HN 0.369 nan 8.150 nan 0.000 0.493 391 C N 3.212 122.435 119.300 -0.129 0.000 2.647 391 C HA 0.472 4.932 4.460 -0.000 0.000 0.273 391 C C 1.291 176.154 174.990 -0.211 0.000 1.088 391 C CA -0.396 58.536 59.018 -0.143 0.000 1.529 391 C CB -1.322 26.328 27.740 -0.149 0.000 1.810 391 C HN 0.652 nan 8.230 nan 0.000 0.422 392 V N 3.271 123.032 119.914 -0.256 0.000 2.307 392 V HA -0.010 4.110 4.120 -0.000 0.000 0.245 392 V C 1.435 177.373 176.094 -0.260 0.000 1.045 392 V CA 1.792 63.887 62.300 -0.342 0.000 1.024 392 V CB -0.466 30.999 31.823 -0.597 0.000 0.651 392 V HN 0.821 nan 8.190 nan 0.000 0.449 393 S N -0.197 115.384 115.700 -0.200 0.000 2.449 393 S HA 0.415 4.885 4.470 -0.000 0.000 0.310 393 S C 0.252 174.764 174.600 -0.147 0.000 1.096 393 S CA -0.308 57.790 58.200 -0.170 0.000 1.095 393 S CB 1.808 64.951 63.200 -0.096 0.000 1.007 393 S HN 0.278 nan 8.310 nan 0.000 0.474 394 V N 2.936 122.659 119.914 -0.318 0.000 3.621 394 V HA 0.415 4.535 4.120 -0.000 0.000 0.285 394 V C 0.820 176.674 176.094 -0.401 0.000 1.346 394 V CA 0.251 62.343 62.300 -0.347 0.000 1.104 394 V CB -0.799 30.815 31.823 -0.348 0.000 0.913 394 V HN 0.929 nan 8.190 nan 0.000 0.432 395 H N 0.390 119.489 119.070 0.049 0.000 2.986 395 H HA 0.430 4.985 4.556 -0.000 0.000 0.267 395 H C 1.886 177.247 175.328 0.054 0.000 1.072 395 H CA 0.278 56.350 56.048 0.039 0.000 1.202 395 H CB 0.737 30.519 29.762 0.033 0.000 1.535 395 H HN 0.469 nan 8.280 nan 0.000 0.522 396 G N 1.842 110.738 108.800 0.160 0.000 2.702 396 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.342 396 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.342 396 G C 1.220 176.210 174.900 0.152 0.000 1.258 396 G CA 1.854 47.053 45.100 0.165 0.000 0.990 396 G HN 0.593 nan 8.290 nan 0.000 0.548 397 A N 0.084 122.979 122.820 0.125 0.000 2.390 397 A HA 0.594 4.914 4.320 -0.000 0.000 0.232 397 A C 0.607 178.259 177.584 0.113 0.000 1.233 397 A CA 1.382 53.492 52.037 0.122 0.000 0.907 397 A CB -0.048 19.028 19.000 0.126 0.000 0.967 397 A HN 1.587 nan 8.150 nan 0.000 0.512 398 N N -0.616 118.146 118.700 0.103 0.000 2.777 398 N HA 0.174 4.914 4.740 -0.000 0.000 0.260 398 N C -0.987 174.558 175.510 0.059 0.000 1.113 398 N CA -0.419 52.677 53.050 0.077 0.000 0.996 398 N CB 0.939 39.464 38.487 0.065 0.000 1.584 398 N HN 0.248 nan 8.380 nan 0.000 0.573 399 R N 3.806 124.302 120.500 -0.006 0.000 2.490 399 R HA 0.431 4.771 4.340 -0.000 0.000 0.278 399 R C -0.436 175.836 176.300 -0.046 0.000 1.069 399 R CA -0.413 55.633 56.100 -0.091 0.000 1.080 399 R CB 0.565 30.536 30.300 -0.548 0.000 1.030 399 R HN 0.549 nan 8.270 nan 0.000 0.491 400 L N 2.800 124.041 121.223 0.031 0.000 2.395 400 L HA 0.276 4.616 4.340 -0.000 0.000 0.269 400 L C 1.079 178.003 176.870 0.089 0.000 1.133 400 L CA -0.453 54.431 54.840 0.073 0.000 0.812 400 L CB 1.085 43.232 42.059 0.145 0.000 1.125 400 L HN 0.843 nan 8.230 nan 0.000 0.452 401 G N 0.507 109.419 108.800 0.187 0.000 2.414 401 G HA2 0.326 4.285 3.960 -0.000 0.000 0.236 401 G HA3 0.326 4.285 3.960 -0.000 0.000 0.236 401 G C 0.972 176.030 174.900 0.264 0.000 1.293 401 G CA 0.396 45.741 45.100 0.408 0.000 0.869 401 G HN 1.067 nan 8.290 nan 0.000 0.556 402 G N 1.943 110.798 108.800 0.092 0.000 2.184 402 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.264 402 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.264 402 G C 1.213 176.113 174.900 0.001 0.000 0.975 402 G CA 0.754 45.787 45.100 -0.112 0.000 0.642 402 G HN 0.677 nan 8.290 nan 0.000 0.536 403 N N 0.298 119.040 118.700 0.070 0.000 2.376 403 N HA 0.105 4.845 4.740 -0.000 0.000 0.177 403 N C 2.225 177.838 175.510 0.171 0.000 1.024 403 N CA 1.337 54.487 53.050 0.166 0.000 0.893 403 N CB -0.171 38.466 38.487 0.250 0.000 0.980 403 N HN 0.400 nan 8.380 nan 0.000 0.439 404 S N 0.499 116.203 115.700 0.008 0.000 2.348 404 S HA 0.023 4.493 4.470 -0.000 0.000 0.221 404 S C 1.881 176.561 174.600 0.133 0.000 1.033 404 S CA 0.839 59.053 58.200 0.024 0.000 1.010 404 S CB -0.246 62.902 63.200 -0.085 0.000 0.891 404 S HN 0.221 nan 8.310 nan 0.000 0.442 405 L N 0.868 122.146 121.223 0.091 0.000 2.046 405 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 405 L C 2.534 179.464 176.870 0.100 0.000 1.077 405 L CA 1.056 55.948 54.840 0.087 0.000 0.747 405 L CB -0.679 41.414 42.059 0.057 0.000 0.896 405 L HN 0.349 nan 8.230 nan 0.000 0.432 406 L N 0.581 121.866 121.223 0.103 0.000 2.013 406 L HA -0.291 4.049 4.340 -0.000 0.000 0.212 406 L C 2.244 179.194 176.870 0.133 0.000 1.073 406 L CA 2.188 57.089 54.840 0.103 0.000 0.753 406 L CB -0.676 41.460 42.059 0.130 0.000 0.890 406 L HN 0.322 nan 8.230 nan 0.000 0.432 407 D N -0.575 119.966 120.400 0.235 0.000 2.103 407 D HA -0.243 4.397 4.640 -0.000 0.000 0.190 407 D C 2.190 178.686 176.300 0.327 0.000 0.997 407 D CA 2.241 56.471 54.000 0.384 0.000 0.833 407 D CB -0.364 40.715 40.800 0.466 0.000 0.961 407 D HN 0.444 nan 8.370 nan 0.000 0.447 408 L N -0.060 121.301 121.223 0.231 0.000 1.991 408 L HA -0.256 4.083 4.340 -0.000 0.000 0.221 408 L C 2.834 179.779 176.870 0.125 0.000 1.079 408 L CA 1.585 56.524 54.840 0.165 0.000 0.778 408 L CB -0.981 41.146 42.059 0.113 0.000 0.893 408 L HN 0.056 nan 8.230 nan 0.000 0.437 409 V N -0.809 119.155 119.914 0.082 0.000 2.307 409 V HA -0.213 3.906 4.120 -0.000 0.000 0.245 409 V C 2.419 178.516 176.094 0.004 0.000 1.045 409 V CA 1.477 63.798 62.300 0.036 0.000 1.024 409 V CB -0.203 31.631 31.823 0.018 0.000 0.651 409 V HN 0.195 nan 8.190 nan 0.000 0.449 410 V N -0.624 119.262 119.914 -0.046 0.000 2.261 410 V HA -0.229 3.891 4.120 -0.000 0.000 0.246 410 V C 2.148 178.134 176.094 -0.180 0.000 1.047 410 V CA 2.239 64.422 62.300 -0.195 0.000 1.015 410 V CB -0.692 30.877 31.823 -0.423 0.000 0.642 410 V HN 0.479 nan 8.190 nan 0.000 0.446 411 F N 0.818 120.840 119.950 0.121 0.000 2.512 411 F HA 0.202 4.729 4.527 -0.000 0.000 0.296 411 F C 2.231 178.072 175.800 0.069 0.000 1.110 411 F CA 0.799 58.858 58.000 0.099 0.000 1.446 411 F CB -1.059 37.983 39.000 0.070 0.000 1.092 411 F HN 0.155 nan 8.300 nan 0.000 0.554 412 G N -0.009 108.903 108.800 0.187 0.000 2.414 412 G HA2 -0.229 3.730 3.960 -0.000 0.000 0.215 412 G HA3 -0.229 3.730 3.960 -0.000 0.000 0.215 412 G C 1.810 176.748 174.900 0.063 0.000 1.188 412 G CA 0.549 45.712 45.100 0.105 0.000 0.783 412 G HN 0.205 nan 8.290 nan 0.000 0.537 413 R N 0.533 121.056 120.500 0.039 0.000 2.096 413 R HA -0.103 4.237 4.340 -0.000 0.000 0.240 413 R C 2.848 179.160 176.300 0.020 0.000 1.139 413 R CA 1.716 57.821 56.100 0.008 0.000 0.952 413 R CB -0.428 29.864 30.300 -0.014 0.000 0.854 413 R HN 0.303 nan 8.270 nan 0.000 0.436 414 A N 0.542 123.410 122.820 0.080 0.000 1.902 414 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 414 A C 2.362 180.034 177.584 0.146 0.000 1.181 414 A CA 1.717 53.837 52.037 0.138 0.000 0.623 414 A CB -0.804 18.328 19.000 0.220 0.000 0.818 414 A HN 0.560 nan 8.150 nan 0.000 0.443 415 A N -0.502 122.404 122.820 0.144 0.000 1.908 415 A HA 0.052 4.372 4.320 -0.000 0.000 0.218 415 A C 2.409 180.009 177.584 0.027 0.000 1.181 415 A CA 2.139 54.250 52.037 0.123 0.000 0.627 415 A CB -1.378 17.682 19.000 0.100 0.000 0.818 415 A HN 0.736 nan 8.150 nan 0.000 0.445 416 G N -0.644 108.146 108.800 -0.016 0.000 2.394 416 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.215 416 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.215 416 G C 1.543 176.397 174.900 -0.077 0.000 1.165 416 G CA 0.817 45.881 45.100 -0.060 0.000 0.784 416 G HN 0.407 nan 8.290 nan 0.000 0.535 417 L N -0.148 121.005 121.223 -0.117 0.000 2.129 417 L HA -0.084 4.256 4.340 -0.000 0.000 0.212 417 L C 1.954 178.627 176.870 -0.328 0.000 1.087 417 L CA 0.920 55.611 54.840 -0.247 0.000 0.757 417 L CB -0.119 41.730 42.059 -0.350 0.000 0.896 417 L HN 0.296 nan 8.230 nan 0.000 0.434 418 H N -1.982 117.101 119.070 0.022 0.000 2.592 418 H HA 0.100 4.656 4.556 -0.000 0.000 0.279 418 H C 1.593 176.943 175.328 0.035 0.000 1.089 418 H CA -0.111 55.958 56.048 0.035 0.000 1.150 418 H CB 0.787 30.579 29.762 0.050 0.000 1.575 418 H HN 0.185 nan 8.280 nan 0.000 0.547 419 L N 0.808 122.065 121.223 0.056 0.000 2.056 419 L HA -0.113 4.226 4.340 -0.000 0.000 0.207 419 L C 2.511 179.394 176.870 0.020 0.000 1.078 419 L CA 1.661 56.486 54.840 -0.024 0.000 0.749 419 L CB -0.170 41.799 42.059 -0.149 0.000 0.901 419 L HN 0.160 nan 8.230 nan 0.000 0.433 420 Q N -0.750 119.064 119.800 0.023 0.000 2.079 420 Q HA -0.229 4.111 4.340 -0.000 0.000 0.200 420 Q C 2.027 178.063 176.000 0.060 0.000 0.974 420 Q CA 1.812 57.633 55.803 0.030 0.000 0.840 420 Q CB 0.045 28.794 28.738 0.017 0.000 0.898 420 Q HN 0.607 nan 8.270 nan 0.000 0.430 421 E N -0.536 119.717 120.200 0.089 0.000 2.106 421 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 421 E C 2.051 178.712 176.600 0.101 0.000 0.984 421 E CA 1.156 57.613 56.400 0.094 0.000 0.806 421 E CB 0.133 29.907 29.700 0.122 0.000 0.750 421 E HN 0.178 nan 8.360 nan 0.000 0.458 422 S N 0.641 116.428 115.700 0.145 0.000 2.383 422 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 422 S C 1.980 176.690 174.600 0.183 0.000 1.026 422 S CA 0.719 59.035 58.200 0.194 0.000 0.981 422 S CB -0.073 63.360 63.200 0.388 0.000 0.818 422 S HN 0.192 nan 8.310 nan 0.000 0.472 423 I N 1.414 122.076 120.570 0.154 0.000 2.286 423 I HA -0.150 4.019 4.170 -0.000 0.000 0.245 423 I C 2.608 178.772 176.117 0.077 0.000 1.104 423 I CA 0.986 62.357 61.300 0.119 0.000 1.397 423 I CB -0.354 37.693 38.000 0.078 0.000 1.072 423 I HN 0.265 nan 8.210 nan 0.000 0.417 424 A N -0.092 122.765 122.820 0.062 0.000 1.972 424 A HA -0.258 4.061 4.320 -0.000 0.000 0.219 424 A C 2.305 179.913 177.584 0.040 0.000 1.169 424 A CA 1.778 53.842 52.037 0.044 0.000 0.635 424 A CB -0.588 18.435 19.000 0.038 0.000 0.810 424 A HN 0.509 nan 8.150 nan 0.000 0.446 425 E N 0.188 120.416 120.200 0.047 0.000 2.150 425 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 425 E C 2.034 178.649 176.600 0.025 0.000 0.985 425 E CA 1.316 57.735 56.400 0.031 0.000 0.814 425 E CB -0.134 29.583 29.700 0.028 0.000 0.752 425 E HN 0.921 nan 8.360 nan 0.000 0.466 426 Q N -0.239 119.584 119.800 0.039 0.000 2.392 426 Q HA 0.187 4.527 4.340 -0.000 0.000 0.203 426 Q C 0.736 176.753 176.000 0.027 0.000 0.917 426 Q CA 0.482 56.301 55.803 0.027 0.000 0.939 426 Q CB 0.474 29.236 28.738 0.040 0.000 1.063 426 Q HN 0.155 nan 8.270 nan 0.000 0.516 427 G N 1.124 109.942 108.800 0.031 0.000 2.787 427 G HA2 -0.093 3.866 3.960 -0.000 0.000 0.685 427 G HA3 -0.093 3.866 3.960 -0.000 0.000 0.685 427 G C -0.255 174.663 174.900 0.030 0.000 1.437 427 G CA -0.503 44.613 45.100 0.026 0.000 0.872 427 G HN 0.778 nan 8.290 nan 0.000 0.566 428 A N 0.305 123.140 122.820 0.026 0.000 2.511 428 A HA 0.561 4.880 4.320 -0.000 0.000 0.242 428 A C 0.788 178.389 177.584 0.028 0.000 1.069 428 A CA 0.451 52.504 52.037 0.027 0.000 0.763 428 A CB 0.053 19.066 19.000 0.021 0.000 1.001 428 A HN 1.317 nan 8.150 nan 0.000 0.498 429 L N 2.523 123.767 121.223 0.035 0.000 2.309 429 L HA 0.472 4.811 4.340 -0.000 0.000 0.282 429 L C 0.961 177.853 176.870 0.036 0.000 1.036 429 L CA -0.657 54.206 54.840 0.037 0.000 0.806 429 L CB 1.197 43.286 42.059 0.050 0.000 1.220 429 L HN 0.868 nan 8.230 nan 0.000 0.429 430 R N 1.137 121.655 120.500 0.030 0.000 2.694 430 R HA 0.040 4.380 4.340 -0.000 0.000 0.268 430 R C -0.469 175.856 176.300 0.041 0.000 1.061 430 R CA -0.516 55.601 56.100 0.029 0.000 1.133 430 R CB 0.546 30.858 30.300 0.020 0.000 1.020 430 R HN 0.521 nan 8.270 nan 0.000 0.475 431 D N 1.054 121.479 120.400 0.041 0.000 2.400 431 D HA 0.083 4.723 4.640 -0.000 0.000 0.238 431 D C -0.471 175.862 176.300 0.056 0.000 1.157 431 D CA 0.423 54.458 54.000 0.059 0.000 0.889 431 D CB 0.991 41.822 40.800 0.051 0.000 1.199 431 D HN 0.605 nan 8.370 nan 0.000 0.436 432 A N 1.651 124.520 122.820 0.082 0.000 2.440 432 A HA 0.385 4.705 4.320 -0.000 0.000 0.251 432 A C 0.696 178.279 177.584 -0.002 0.000 1.089 432 A CA -0.361 51.689 52.037 0.021 0.000 0.779 432 A CB 0.140 19.120 19.000 -0.032 0.000 1.022 432 A HN 0.509 nan 8.150 nan 0.000 0.492 433 S N 0.990 116.676 115.700 -0.025 0.000 2.655 433 S HA 0.214 4.684 4.470 -0.000 0.000 0.265 433 S C 0.862 175.433 174.600 -0.048 0.000 1.240 433 S CA 0.277 58.463 58.200 -0.023 0.000 0.986 433 S CB 0.921 64.110 63.200 -0.018 0.000 0.985 433 S HN 0.790 nan 8.310 nan 0.000 0.562 434 E N 0.098 120.278 120.200 -0.033 0.000 2.208 434 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 434 E C 1.737 178.306 176.600 -0.051 0.000 0.988 434 E CA 1.140 57.515 56.400 -0.042 0.000 0.828 434 E CB -0.165 29.524 29.700 -0.019 0.000 0.763 434 E HN 0.817 nan 8.360 nan 0.000 0.478 435 S N -0.108 115.568 115.700 -0.041 0.000 2.527 435 S HA -0.041 4.429 4.470 -0.000 0.000 0.222 435 S C 1.230 175.799 174.600 -0.051 0.000 0.985 435 S CA 0.409 58.586 58.200 -0.039 0.000 0.921 435 S CB 0.150 63.334 63.200 -0.026 0.000 0.772 435 S HN 0.140 nan 8.310 nan 0.000 0.529 436 D N 2.128 122.488 120.400 -0.067 0.000 2.117 436 D HA -0.016 4.624 4.640 -0.000 0.000 0.198 436 D C 2.056 178.281 176.300 -0.126 0.000 0.982 436 D CA 0.958 54.908 54.000 -0.082 0.000 0.828 436 D CB -0.373 40.377 40.800 -0.084 0.000 0.967 436 D HN 0.340 nan 8.370 nan 0.000 0.464 437 V N 0.869 120.672 119.914 -0.184 0.000 2.453 437 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 437 V C 2.384 178.405 176.094 -0.121 0.000 1.048 437 V CA 1.268 63.417 62.300 -0.252 0.000 1.049 437 V CB -0.379 31.243 31.823 -0.334 0.000 0.672 437 V HN 0.048 nan 8.190 nan 0.000 0.457 438 E N 1.300 121.452 120.200 -0.080 0.000 2.070 438 E HA -0.234 4.115 4.350 -0.000 0.000 0.197 438 E C 2.170 178.755 176.600 -0.026 0.000 1.004 438 E CA 1.867 58.244 56.400 -0.039 0.000 0.805 438 E CB -0.617 29.065 29.700 -0.030 0.000 0.744 438 E HN 0.510 nan 8.360 nan 0.000 0.451 439 A N -0.223 122.577 122.820 -0.033 0.000 2.024 439 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 439 A C 2.314 179.894 177.584 -0.007 0.000 1.164 439 A CA 1.953 53.978 52.037 -0.020 0.000 0.643 439 A CB -0.584 18.401 19.000 -0.025 0.000 0.806 439 A HN 0.303 nan 8.150 nan 0.000 0.451 440 S N -0.208 115.484 115.700 -0.014 0.000 2.453 440 S HA 0.043 4.513 4.470 -0.000 0.000 0.231 440 S C 1.406 176.030 174.600 0.039 0.000 1.005 440 S CA 1.020 59.227 58.200 0.011 0.000 0.949 440 S CB -0.254 62.948 63.200 0.003 0.000 0.774 440 S HN 0.541 nan 8.310 nan 0.000 0.510 441 L N 0.974 122.216 121.223 0.031 0.000 2.592 441 L HA 0.130 4.470 4.340 -0.000 0.000 0.227 441 L C 1.465 178.367 176.870 0.052 0.000 1.127 441 L CA 0.109 54.980 54.840 0.052 0.000 0.884 441 L CB -0.412 41.673 42.059 0.043 0.000 1.065 441 L HN 0.063 nan 8.230 nan 0.000 0.457 442 D N 0.985 121.407 120.400 0.036 0.000 2.133 442 D HA -0.243 4.397 4.640 -0.000 0.000 0.192 442 D C 2.225 178.552 176.300 0.045 0.000 1.001 442 D CA 1.323 55.339 54.000 0.027 0.000 0.844 442 D CB 0.033 40.839 40.800 0.011 0.000 0.944 442 D HN 0.182 nan 8.370 nan 0.000 0.447 443 R N -0.170 120.376 120.500 0.076 0.000 2.092 443 R HA -0.093 4.246 4.340 -0.000 0.000 0.231 443 R C 2.231 178.667 176.300 0.226 0.000 1.119 443 R CA 0.788 56.962 56.100 0.124 0.000 0.970 443 R CB -0.236 30.155 30.300 0.152 0.000 0.864 443 R HN 0.204 nan 8.270 nan 0.000 0.440 444 L N 0.920 122.260 121.223 0.194 0.000 2.095 444 L HA -0.022 4.318 4.340 -0.000 0.000 0.204 444 L C 1.456 178.433 176.870 0.177 0.000 1.080 444 L CA 1.677 56.645 54.840 0.213 0.000 0.759 444 L CB -0.621 41.514 42.059 0.127 0.000 0.914 444 L HN 0.118 nan 8.230 nan 0.000 0.439 445 N N 0.377 119.140 118.700 0.104 0.000 2.137 445 N HA -0.257 4.483 4.740 -0.000 0.000 0.190 445 N C 1.987 177.525 175.510 0.047 0.000 1.017 445 N CA 1.543 54.632 53.050 0.065 0.000 0.859 445 N CB -0.406 38.103 38.487 0.035 0.000 1.002 445 N HN 0.427 nan 8.380 nan 0.000 0.428 446 R N -0.184 120.328 120.500 0.019 0.000 2.082 446 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 446 R C 2.076 178.329 176.300 -0.079 0.000 1.136 446 R CA 1.758 57.807 56.100 -0.084 0.000 0.935 446 R CB -0.358 29.822 30.300 -0.199 0.000 0.842 446 R HN 0.280 nan 8.270 nan 0.000 0.430 447 W N 1.170 122.457 121.300 -0.021 0.000 2.358 447 W HA -0.126 4.534 4.660 -0.000 0.000 0.303 447 W C 2.123 178.626 176.519 -0.027 0.000 1.208 447 W CA 0.744 58.073 57.345 -0.027 0.000 1.274 447 W CB -0.410 29.028 29.460 -0.037 0.000 1.138 447 W HN 0.226 nan 8.180 nan 0.000 0.515 448 N N 0.033 118.861 118.700 0.214 0.000 2.289 448 N HA -0.154 4.585 4.740 -0.000 0.000 0.184 448 N C 1.120 176.670 175.510 0.067 0.000 1.016 448 N CA 1.213 54.331 53.050 0.113 0.000 0.872 448 N CB -0.656 37.877 38.487 0.077 0.000 0.973 448 N HN 0.297 nan 8.380 nan 0.000 0.433 449 N N 0.639 119.365 118.700 0.044 0.000 2.424 449 N HA -0.053 4.687 4.740 -0.000 0.000 0.178 449 N C 0.079 175.588 175.510 -0.002 0.000 1.060 449 N CA 0.152 53.209 53.050 0.011 0.000 0.901 449 N CB -0.078 38.405 38.487 -0.007 0.000 0.979 449 N HN 0.155 nan 8.380 nan 0.000 0.451 450 N N 1.979 120.675 118.700 -0.005 0.000 2.521 450 N HA 0.083 4.823 4.740 -0.000 0.000 0.236 450 N C 0.631 176.149 175.510 0.013 0.000 1.067 450 N CA -0.078 52.956 53.050 -0.028 0.000 0.939 450 N CB 0.501 38.921 38.487 -0.111 0.000 1.201 450 N HN -0.039 nan 8.380 nan 0.000 0.511 451 R N 2.042 122.547 120.500 0.008 0.000 2.112 451 R HA 0.160 4.500 4.340 -0.000 0.000 0.216 451 R C 0.437 176.745 176.300 0.012 0.000 1.080 451 R CA 0.639 56.750 56.100 0.018 0.000 0.996 451 R CB 0.039 30.346 30.300 0.012 0.000 0.902 451 R HN 0.489 nan 8.270 nan 0.000 0.449 452 N N 0.201 118.899 118.700 -0.003 0.000 2.236 452 N HA 0.072 4.812 4.740 -0.000 0.000 0.196 452 N C 0.775 176.278 175.510 -0.011 0.000 1.114 452 N CA 0.213 53.260 53.050 -0.005 0.000 0.859 452 N CB 0.710 39.192 38.487 -0.009 0.000 0.982 452 N HN 0.126 nan 8.380 nan 0.000 0.493 453 G N 0.243 109.031 108.800 -0.020 0.000 2.468 453 G HA2 0.103 4.063 3.960 -0.000 0.000 0.264 453 G HA3 0.103 4.063 3.960 -0.000 0.000 0.264 453 G C 0.114 175.006 174.900 -0.013 0.000 1.460 453 G CA -0.353 44.726 45.100 -0.034 0.000 1.060 453 G HN 0.092 nan 8.290 nan 0.000 0.543 454 E N -0.162 120.026 120.200 -0.019 0.000 2.374 454 E HA 0.119 4.468 4.350 -0.000 0.000 0.260 454 E C -0.820 175.801 176.600 0.034 0.000 1.101 454 E CA -0.418 55.984 56.400 0.003 0.000 0.907 454 E CB 0.995 30.692 29.700 -0.004 0.000 1.014 454 E HN 0.365 nan 8.360 nan 0.000 0.427 455 D N 2.183 122.606 120.400 0.037 0.000 2.358 455 D HA 0.013 4.653 4.640 -0.000 0.000 0.258 455 D C -1.570 174.771 176.300 0.069 0.000 1.223 455 D CA -1.907 52.123 54.000 0.051 0.000 0.886 455 D CB 0.931 41.751 40.800 0.033 0.000 1.120 455 D HN 0.077 nan 8.370 nan 0.000 0.482 456 P HA -0.108 nan 4.420 nan 0.000 0.222 456 P C 1.550 178.886 177.300 0.061 0.000 1.153 456 P CA 0.241 63.415 63.100 0.124 0.000 0.798 456 P CB 0.339 32.147 31.700 0.179 0.000 0.796 457 V N 1.381 121.317 119.914 0.037 0.000 2.255 457 V HA -0.287 3.832 4.120 -0.000 0.000 0.247 457 V C 2.825 178.932 176.094 0.020 0.000 1.051 457 V CA 2.476 64.787 62.300 0.018 0.000 1.018 457 V CB -1.766 30.064 31.823 0.012 0.000 0.641 457 V HN 0.121 nan 8.190 nan 0.000 0.445 458 A N 0.050 122.885 122.820 0.024 0.000 1.865 458 A HA -0.229 4.091 4.320 -0.000 0.000 0.217 458 A C 2.184 179.780 177.584 0.021 0.000 1.191 458 A CA 2.292 54.342 52.037 0.021 0.000 0.623 458 A CB -0.685 18.328 19.000 0.021 0.000 0.826 458 A HN 0.512 nan 8.150 nan 0.000 0.444 459 I N -0.595 119.992 120.570 0.030 0.000 2.194 459 I HA -0.339 3.830 4.170 -0.000 0.000 0.246 459 I C 2.755 178.884 176.117 0.020 0.000 1.093 459 I CA 2.056 63.374 61.300 0.030 0.000 1.355 459 I CB -0.419 37.610 38.000 0.049 0.000 1.046 459 I HN 0.485 nan 8.210 nan 0.000 0.413 460 R N 1.767 122.279 120.500 0.020 0.000 2.073 460 R HA -0.195 4.144 4.340 -0.000 0.000 0.234 460 R C 2.228 178.522 176.300 -0.009 0.000 1.134 460 R CA 1.653 57.755 56.100 0.004 0.000 0.952 460 R CB -0.162 30.140 30.300 0.004 0.000 0.850 460 R HN 0.284 nan 8.270 nan 0.000 0.433 461 K N 0.202 120.601 120.400 -0.002 0.000 2.057 461 K HA -0.078 4.242 4.320 -0.000 0.000 0.207 461 K C 2.212 178.800 176.600 -0.020 0.000 1.049 461 K CA 1.361 57.643 56.287 -0.007 0.000 0.931 461 K CB -0.187 32.315 32.500 0.004 0.000 0.714 461 K HN 0.288 nan 8.250 nan 0.000 0.440 462 A N 1.859 124.672 122.820 -0.011 0.000 1.883 462 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 462 A C 2.152 179.720 177.584 -0.027 0.000 1.186 462 A CA 1.348 53.378 52.037 -0.013 0.000 0.624 462 A CB -0.697 18.305 19.000 0.003 0.000 0.822 462 A HN 0.335 nan 8.150 nan 0.000 0.444 463 L N -0.721 120.485 121.223 -0.028 0.000 1.994 463 L HA -0.285 4.054 4.340 -0.000 0.000 0.208 463 L C 2.741 179.554 176.870 -0.094 0.000 1.071 463 L CA 2.237 57.049 54.840 -0.048 0.000 0.745 463 L CB -0.458 41.574 42.059 -0.045 0.000 0.892 463 L HN 0.495 nan 8.230 nan 0.000 0.431 464 Q N -0.360 119.383 119.800 -0.097 0.000 2.084 464 Q HA -0.302 4.038 4.340 -0.000 0.000 0.202 464 Q C 2.051 177.981 176.000 -0.117 0.000 0.978 464 Q CA 2.029 57.758 55.803 -0.124 0.000 0.844 464 Q CB -0.240 28.456 28.738 -0.071 0.000 0.898 464 Q HN 0.621 nan 8.270 nan 0.000 0.426 465 E N 0.298 120.425 120.200 -0.122 0.000 2.097 465 E HA -0.267 4.083 4.350 -0.000 0.000 0.196 465 E C 2.070 178.517 176.600 -0.255 0.000 1.000 465 E CA 1.471 57.730 56.400 -0.236 0.000 0.804 465 E CB -0.289 29.292 29.700 -0.198 0.000 0.740 465 E HN 0.423 nan 8.360 nan 0.000 0.454 466 C N 0.479 119.715 119.300 -0.107 0.000 2.432 466 C HA -0.134 4.326 4.460 -0.000 0.000 0.277 466 C C 2.642 177.684 174.990 0.087 0.000 1.249 466 C CA 1.154 60.170 59.018 -0.003 0.000 1.725 466 C CB -0.839 26.927 27.740 0.044 0.000 2.028 466 C HN 0.565 nan 8.230 nan 0.000 0.477 467 M N 0.172 119.780 119.600 0.014 0.000 2.159 467 M HA -0.102 4.378 4.480 -0.000 0.000 0.263 467 M C 2.074 178.505 176.300 0.217 0.000 1.063 467 M CA 1.561 56.884 55.300 0.037 0.000 1.110 467 M CB -1.702 30.557 32.600 -0.569 0.000 1.374 467 M HN 0.488 nan 8.290 nan 0.000 0.411 468 Q N 0.110 119.998 119.800 0.147 0.000 2.020 468 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 468 Q C 1.828 177.992 176.000 0.274 0.000 0.982 468 Q CA 1.958 57.926 55.803 0.276 0.000 0.838 468 Q CB -0.318 28.496 28.738 0.127 0.000 0.899 468 Q HN 0.672 nan 8.270 nan 0.000 0.423 469 H N -1.368 117.768 119.070 0.111 0.000 2.436 469 H HA 0.115 4.671 4.556 -0.000 0.000 0.294 469 H C 1.013 176.333 175.328 -0.013 0.000 1.048 469 H CA 0.660 56.737 56.048 0.048 0.000 1.353 469 H CB 0.435 30.216 29.762 0.032 0.000 1.414 469 H HN 0.253 nan 8.280 nan 0.000 0.536 470 N N -0.151 118.586 118.700 0.062 0.000 2.282 470 N HA 0.017 4.757 4.740 -0.000 0.000 0.185 470 N C -0.265 174.885 175.510 -0.599 0.000 1.099 470 N CA 0.479 53.354 53.050 -0.293 0.000 0.878 470 N CB 0.724 38.940 38.487 -0.452 0.000 0.993 470 N HN 0.232 nan 8.380 nan 0.000 0.481 471 F N -0.240 119.789 119.950 0.131 0.000 2.811 471 F HA 0.346 4.873 4.527 -0.000 0.000 0.342 471 F C 1.114 177.061 175.800 0.244 0.000 1.203 471 F CA -0.496 57.606 58.000 0.170 0.000 1.173 471 F CB 0.197 39.288 39.000 0.151 0.000 1.094 471 F HN -0.234 nan 8.300 nan 0.000 0.510 472 S N -0.233 115.592 115.700 0.207 0.000 2.401 472 S HA 0.173 4.642 4.470 -0.000 0.000 0.249 472 S C 1.839 176.190 174.600 -0.415 0.000 1.237 472 S CA 0.036 58.177 58.200 -0.099 0.000 1.000 472 S CB 0.363 63.499 63.200 -0.107 0.000 1.013 472 S HN -0.025 nan 8.310 nan 0.000 0.494 473 V N 0.322 119.770 119.914 -0.775 0.000 2.287 473 V HA -0.044 4.076 4.120 -0.000 0.000 0.248 473 V C 0.577 176.289 176.094 -0.636 0.000 1.053 473 V CA 1.545 63.359 62.300 -0.810 0.000 1.027 473 V CB -0.773 30.566 31.823 -0.807 0.000 0.646 473 V HN 0.549 nan 8.190 nan 0.000 0.447 474 F N -0.573 119.197 119.950 -0.299 0.000 2.450 474 F HA 0.695 5.221 4.527 -0.000 0.000 0.332 474 F C 0.447 175.998 175.800 -0.414 0.000 1.093 474 F CA -0.746 57.004 58.000 -0.417 0.000 1.003 474 F CB 1.270 39.978 39.000 -0.488 0.000 1.151 474 F HN -0.119 nan 8.300 nan 0.000 0.474 475 R N 1.138 121.460 120.500 -0.298 0.000 2.837 475 R HA 0.634 4.974 4.340 -0.000 0.000 0.271 475 R C -1.328 174.827 176.300 -0.243 0.000 0.993 475 R CA -1.184 54.782 56.100 -0.224 0.000 0.931 475 R CB 2.901 33.141 30.300 -0.100 0.000 1.206 475 R HN 0.771 nan 8.270 nan 0.000 0.474 476 E N -0.517 119.612 120.200 -0.118 0.000 2.383 476 E HA 0.341 4.691 4.350 -0.000 0.000 0.275 476 E C 0.130 176.741 176.600 0.018 0.000 0.918 476 E CA -0.982 55.414 56.400 -0.005 0.000 0.764 476 E CB 1.626 31.375 29.700 0.083 0.000 1.252 476 E HN 0.496 nan 8.360 nan 0.000 0.449 477 G N 2.112 110.964 108.800 0.086 0.000 2.574 477 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.220 477 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.220 477 G C 0.750 175.684 174.900 0.057 0.000 1.173 477 G CA 1.618 46.778 45.100 0.101 0.000 0.772 477 G HN 0.646 nan 8.290 nan 0.000 0.585 478 D N 0.835 121.263 120.400 0.046 0.000 2.104 478 D HA -0.021 4.618 4.640 -0.000 0.000 0.194 478 D C 2.835 179.132 176.300 -0.005 0.000 0.994 478 D CA 1.455 55.472 54.000 0.028 0.000 0.830 478 D CB -0.649 40.168 40.800 0.028 0.000 0.959 478 D HN 0.332 nan 8.370 nan 0.000 0.452 479 A N 0.627 123.423 122.820 -0.039 0.000 1.873 479 A HA -0.233 4.086 4.320 -0.000 0.000 0.218 479 A C 2.255 179.722 177.584 -0.195 0.000 1.193 479 A CA 1.976 53.947 52.037 -0.110 0.000 0.629 479 A CB -0.655 18.256 19.000 -0.148 0.000 0.826 479 A HN 0.187 nan 8.150 nan 0.000 0.447 480 M N -0.853 118.618 119.600 -0.214 0.000 2.200 480 M HA -0.067 4.413 4.480 -0.000 0.000 0.265 480 M C 2.485 178.807 176.300 0.037 0.000 1.066 480 M CA 1.268 56.431 55.300 -0.229 0.000 1.127 480 M CB -0.409 32.151 32.600 -0.066 0.000 1.379 480 M HN 0.483 nan 8.290 nan 0.000 0.420 481 A N 0.369 123.218 122.820 0.048 0.000 1.968 481 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 481 A C 2.134 179.764 177.584 0.077 0.000 1.169 481 A CA 1.541 53.628 52.037 0.082 0.000 0.638 481 A CB -0.374 18.672 19.000 0.077 0.000 0.812 481 A HN 0.359 nan 8.150 nan 0.000 0.446 482 K N -0.699 119.729 120.400 0.047 0.000 2.062 482 K HA -0.003 4.317 4.320 -0.000 0.000 0.205 482 K C 2.109 178.754 176.600 0.075 0.000 1.051 482 K CA 0.978 57.296 56.287 0.051 0.000 0.941 482 K CB -0.422 32.097 32.500 0.031 0.000 0.719 482 K HN 0.417 nan 8.250 nan 0.000 0.440 483 G N 1.381 110.220 108.800 0.067 0.000 2.446 483 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 483 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 483 G C 1.378 176.423 174.900 0.242 0.000 1.168 483 G CA 0.930 46.129 45.100 0.164 0.000 0.771 483 G HN 0.235 nan 8.290 nan 0.000 0.551 484 L N 0.503 121.880 121.223 0.256 0.000 2.079 484 L HA -0.034 4.305 4.340 -0.000 0.000 0.210 484 L C 2.585 179.544 176.870 0.148 0.000 1.081 484 L CA 1.945 56.888 54.840 0.172 0.000 0.752 484 L CB -0.333 41.801 42.059 0.125 0.000 0.896 484 L HN 0.108 nan 8.230 nan 0.000 0.433 485 E N -0.314 119.963 120.200 0.127 0.000 2.072 485 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 485 E C 2.200 178.862 176.600 0.104 0.000 0.985 485 E CA 1.345 57.810 56.400 0.109 0.000 0.801 485 E CB -0.331 29.420 29.700 0.085 0.000 0.750 485 E HN 0.666 nan 8.360 nan 0.000 0.452 486 Q N 0.217 120.077 119.800 0.100 0.000 2.170 486 Q HA -0.079 4.261 4.340 -0.000 0.000 0.203 486 Q C 2.408 178.462 176.000 0.091 0.000 0.976 486 Q CA 0.870 56.724 55.803 0.085 0.000 0.858 486 Q CB -0.125 28.662 28.738 0.081 0.000 0.907 486 Q HN 0.238 nan 8.270 nan 0.000 0.433 487 L N 0.514 121.812 121.223 0.125 0.000 2.027 487 L HA -0.213 4.127 4.340 -0.000 0.000 0.206 487 L C 2.242 179.199 176.870 0.146 0.000 1.074 487 L CA 1.283 56.209 54.840 0.143 0.000 0.745 487 L CB -0.322 41.852 42.059 0.191 0.000 0.898 487 L HN 0.163 nan 8.230 nan 0.000 0.433 488 K N -0.449 120.057 120.400 0.177 0.000 2.074 488 K HA -0.186 4.134 4.320 -0.000 0.000 0.209 488 K C 1.986 178.616 176.600 0.050 0.000 1.048 488 K CA 1.472 57.829 56.287 0.117 0.000 0.926 488 K CB -0.374 32.207 32.500 0.135 0.000 0.713 488 K HN 0.125 nan 8.250 nan 0.000 0.444 489 V N 1.738 121.686 119.914 0.056 0.000 2.307 489 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 489 V C 2.218 178.325 176.094 0.021 0.000 1.045 489 V CA 1.646 63.966 62.300 0.033 0.000 1.024 489 V CB -0.385 31.461 31.823 0.038 0.000 0.651 489 V HN 0.266 nan 8.190 nan 0.000 0.449 490 I N -0.290 120.298 120.570 0.030 0.000 2.208 490 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 490 I C 2.753 178.872 176.117 0.005 0.000 1.097 490 I CA 1.722 63.035 61.300 0.020 0.000 1.363 490 I CB -0.448 37.568 38.000 0.028 0.000 1.051 490 I HN 0.211 nan 8.210 nan 0.000 0.413 491 R N 0.674 121.171 120.500 -0.004 0.000 2.152 491 R HA -0.170 4.170 4.340 -0.000 0.000 0.232 491 R C 1.998 178.266 176.300 -0.054 0.000 1.117 491 R CA 1.199 57.274 56.100 -0.043 0.000 0.981 491 R CB 0.025 30.267 30.300 -0.098 0.000 0.870 491 R HN 0.302 nan 8.270 nan 0.000 0.451 492 E N 0.766 120.943 120.200 -0.038 0.000 2.046 492 E HA -0.133 4.217 4.350 -0.000 0.000 0.190 492 E C 2.058 178.630 176.600 -0.048 0.000 0.982 492 E CA 1.054 57.428 56.400 -0.043 0.000 0.800 492 E CB -0.186 29.498 29.700 -0.026 0.000 0.756 492 E HN 0.341 nan 8.360 nan 0.000 0.449 493 R N 0.381 120.862 120.500 -0.031 0.000 2.117 493 R HA -0.168 4.172 4.340 -0.000 0.000 0.243 493 R C 2.390 178.659 176.300 -0.051 0.000 1.143 493 R CA 1.162 57.243 56.100 -0.031 0.000 0.968 493 R CB -0.475 29.820 30.300 -0.009 0.000 0.863 493 R HN 0.087 nan 8.270 nan 0.000 0.444 494 L N 1.497 122.692 121.223 -0.046 0.000 2.093 494 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 494 L C 1.498 178.268 176.870 -0.168 0.000 1.085 494 L CA 1.794 56.599 54.840 -0.058 0.000 0.755 494 L CB -0.165 41.893 42.059 -0.002 0.000 0.904 494 L HN -0.042 nan 8.230 nan 0.000 0.435 495 K N -0.809 119.503 120.400 -0.146 0.000 2.515 495 K HA -0.103 4.217 4.320 -0.000 0.000 0.196 495 K C 0.782 177.250 176.600 -0.221 0.000 1.038 495 K CA 1.003 57.178 56.287 -0.187 0.000 0.967 495 K CB -0.158 32.265 32.500 -0.128 0.000 0.780 495 K HN 0.356 nan 8.250 nan 0.000 0.483 496 N N -0.186 118.397 118.700 -0.195 0.000 2.291 496 N HA 0.138 4.878 4.740 -0.000 0.000 0.244 496 N C -1.017 174.378 175.510 -0.191 0.000 1.216 496 N CA -0.244 52.699 53.050 -0.179 0.000 0.879 496 N CB 0.767 39.191 38.487 -0.106 0.000 1.167 496 N HN 0.066 nan 8.380 nan 0.000 0.515 497 A N 0.904 123.551 122.820 -0.289 0.000 2.304 497 A HA 0.542 4.862 4.320 -0.000 0.000 0.271 497 A C 0.128 177.587 177.584 -0.208 0.000 1.091 497 A CA -0.400 51.520 52.037 -0.195 0.000 0.812 497 A CB 0.371 19.312 19.000 -0.098 0.000 1.056 497 A HN 0.527 nan 8.150 nan 0.000 0.489 498 R N 0.829 121.369 120.500 0.067 0.000 2.562 498 R HA 0.661 5.001 4.340 -0.000 0.000 0.298 498 R C -1.389 175.100 176.300 0.315 0.000 0.961 498 R CA -0.731 55.449 56.100 0.133 0.000 0.881 498 R CB 1.058 31.398 30.300 0.066 0.000 1.159 498 R HN 0.476 nan 8.270 nan 0.000 0.450 499 L N 3.317 124.732 121.223 0.321 0.000 2.261 499 L HA 0.288 4.628 4.340 -0.000 0.000 0.289 499 L C -0.272 176.661 176.870 0.104 0.000 1.059 499 L CA 0.167 55.147 54.840 0.233 0.000 0.816 499 L CB 1.171 43.381 42.059 0.253 0.000 1.191 499 L HN 0.773 nan 8.230 nan 0.000 0.431 500 D N 1.783 122.219 120.400 0.061 0.000 2.348 500 D HA 0.013 4.653 4.640 -0.000 0.000 0.211 500 D C -0.335 175.973 176.300 0.013 0.000 0.998 500 D CA 0.590 54.609 54.000 0.032 0.000 0.873 500 D CB 0.349 41.163 40.800 0.024 0.000 0.925 500 D HN 0.542 nan 8.370 nan 0.000 0.524 501 D N -0.061 120.339 120.400 -0.001 0.000 2.392 501 D HA 0.058 4.698 4.640 -0.000 0.000 0.228 501 D C 0.867 177.162 176.300 -0.009 0.000 1.074 501 D CA -0.093 53.900 54.000 -0.011 0.000 0.838 501 D CB 1.607 42.390 40.800 -0.028 0.000 1.067 501 D HN -0.232 nan 8.370 nan 0.000 0.511 502 T N 1.371 115.925 114.554 -0.000 0.000 3.054 502 T HA 0.007 4.356 4.350 -0.000 0.000 0.259 502 T C 0.943 175.640 174.700 -0.005 0.000 1.092 502 T CA 0.614 62.717 62.100 0.004 0.000 1.121 502 T CB -0.051 68.823 68.868 0.009 0.000 0.912 502 T HN 0.471 nan 8.240 nan 0.000 0.489 503 S N 0.979 116.674 115.700 -0.009 0.000 2.580 503 S HA 0.154 4.624 4.470 -0.000 0.000 0.261 503 S C 1.261 175.849 174.600 -0.020 0.000 1.366 503 S CA 0.123 58.318 58.200 -0.009 0.000 0.996 503 S CB 0.943 64.141 63.200 -0.002 0.000 0.902 503 S HN 0.472 nan 8.310 nan 0.000 0.566 504 S N -1.494 114.197 115.700 -0.016 0.000 2.559 504 S HA 0.228 4.698 4.470 -0.000 0.000 0.226 504 S C 0.073 174.658 174.600 -0.025 0.000 1.030 504 S CA -0.225 57.957 58.200 -0.029 0.000 0.956 504 S CB -0.307 62.880 63.200 -0.021 0.000 0.900 504 S HN 0.789 nan 8.310 nan 0.000 0.510 505 E N 1.580 121.784 120.200 0.007 0.000 2.001 505 E HA 0.433 4.782 4.350 -0.000 0.000 0.279 505 E C -0.744 175.930 176.600 0.123 0.000 1.045 505 E CA -0.811 55.616 56.400 0.046 0.000 0.833 505 E CB -0.633 29.095 29.700 0.047 0.000 1.077 505 E HN 0.263 nan 8.360 nan 0.000 0.397 506 F N 3.504 123.415 119.950 -0.065 0.000 2.891 506 F HA -0.283 4.243 4.527 -0.000 0.000 0.272 506 F C -0.512 175.247 175.800 -0.069 0.000 1.004 506 F CA 0.425 58.385 58.000 -0.066 0.000 0.938 506 F CB -0.464 38.506 39.000 -0.050 0.000 0.939 506 F HN 0.479 nan 8.300 nan 0.000 0.833 507 N N 1.403 120.050 118.700 -0.089 0.000 2.469 507 N HA 0.158 4.897 4.740 -0.000 0.000 0.239 507 N C 1.163 176.573 175.510 -0.167 0.000 1.053 507 N CA 0.469 53.470 53.050 -0.081 0.000 0.937 507 N CB 0.963 39.394 38.487 -0.093 0.000 1.163 507 N HN 0.375 nan 8.380 nan 0.000 0.509 508 T N 0.609 115.104 114.554 -0.098 0.000 3.023 508 T HA -0.117 4.233 4.350 -0.000 0.000 0.266 508 T C 1.444 176.042 174.700 -0.171 0.000 1.093 508 T CA 0.722 62.738 62.100 -0.139 0.000 1.129 508 T CB 0.071 68.924 68.868 -0.024 0.000 0.899 508 T HN 0.382 nan 8.240 nan 0.000 0.491 509 Q N 1.854 121.568 119.800 -0.145 0.000 2.050 509 Q HA -0.010 4.330 4.340 -0.000 0.000 0.202 509 Q C 2.468 178.305 176.000 -0.271 0.000 0.980 509 Q CA 1.620 57.320 55.803 -0.171 0.000 0.840 509 Q CB -0.399 28.271 28.738 -0.114 0.000 0.898 509 Q HN 0.622 nan 8.270 nan 0.000 0.424 510 R N -0.772 119.566 120.500 -0.269 0.000 2.091 510 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 510 R C 1.928 177.929 176.300 -0.499 0.000 1.136 510 R CA 1.651 57.537 56.100 -0.357 0.000 0.959 510 R CB -0.282 29.862 30.300 -0.260 0.000 0.856 510 R HN 0.255 nan 8.270 nan 0.000 0.437 511 V N 1.297 120.929 119.914 -0.470 0.000 2.270 511 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 511 V C 2.036 177.810 176.094 -0.533 0.000 1.043 511 V CA 2.122 64.049 62.300 -0.623 0.000 1.014 511 V CB -0.498 31.029 31.823 -0.494 0.000 0.645 511 V HN 0.432 nan 8.190 nan 0.000 0.447 512 E N -0.864 119.114 120.200 -0.370 0.000 2.209 512 E HA -0.232 4.118 4.350 -0.000 0.000 0.196 512 E C 2.217 178.598 176.600 -0.365 0.000 0.993 512 E CA 1.609 57.837 56.400 -0.286 0.000 0.819 512 E CB -0.293 29.287 29.700 -0.200 0.000 0.745 512 E HN 0.617 nan 8.360 nan 0.000 0.477 513 C N 0.345 119.294 119.300 -0.585 0.000 2.466 513 C HA -0.036 4.424 4.460 -0.000 0.000 0.278 513 C C 2.542 176.985 174.990 -0.911 0.000 1.288 513 C CA 0.221 58.649 59.018 -0.982 0.000 1.722 513 C CB -0.771 25.903 27.740 -1.777 0.000 2.017 513 C HN 0.393 nan 8.230 nan 0.000 0.488 514 L N 0.686 121.436 121.223 -0.788 0.000 2.083 514 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 514 L C 2.600 179.398 176.870 -0.120 0.000 1.083 514 L CA 1.525 56.120 54.840 -0.409 0.000 0.752 514 L CB -0.715 41.081 42.059 -0.439 0.000 0.899 514 L HN 0.442 nan 8.230 nan 0.000 0.433 515 E N -0.078 120.022 120.200 -0.167 0.000 2.077 515 E HA -0.261 4.088 4.350 -0.000 0.000 0.193 515 E C 2.126 178.726 176.600 0.001 0.000 0.989 515 E CA 1.056 57.457 56.400 0.002 0.000 0.800 515 E CB -0.178 29.508 29.700 -0.022 0.000 0.746 515 E HN 0.240 nan 8.360 nan 0.000 0.452 516 L N 1.843 123.036 121.223 -0.049 0.000 2.079 516 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 516 L C 1.486 178.406 176.870 0.084 0.000 1.081 516 L CA 1.873 56.724 54.840 0.017 0.000 0.752 516 L CB -0.406 41.671 42.059 0.030 0.000 0.896 516 L HN -0.004 nan 8.230 nan 0.000 0.433 517 D N -0.578 119.907 120.400 0.142 0.000 2.182 517 D HA -0.162 4.478 4.640 -0.000 0.000 0.201 517 D C 1.818 178.176 176.300 0.096 0.000 0.986 517 D CA 1.014 55.114 54.000 0.166 0.000 0.847 517 D CB -0.153 40.789 40.800 0.237 0.000 0.942 517 D HN 0.439 nan 8.370 nan 0.000 0.467 518 N N 0.242 118.992 118.700 0.084 0.000 2.207 518 N HA -0.004 4.736 4.740 -0.000 0.000 0.182 518 N C 2.145 177.677 175.510 0.037 0.000 1.020 518 N CA 0.145 53.233 53.050 0.062 0.000 0.858 518 N CB -0.345 38.184 38.487 0.070 0.000 0.991 518 N HN 0.212 nan 8.380 nan 0.000 0.427 519 L N 0.419 121.658 121.223 0.026 0.000 2.051 519 L HA -0.227 4.112 4.340 -0.000 0.000 0.214 519 L C 2.406 179.267 176.870 -0.015 0.000 1.076 519 L CA 1.211 56.047 54.840 -0.006 0.000 0.758 519 L CB -0.334 41.715 42.059 -0.018 0.000 0.890 519 L HN 0.168 nan 8.230 nan 0.000 0.433 520 M N -0.159 119.446 119.600 0.009 0.000 2.059 520 M HA -0.192 4.288 4.480 -0.000 0.000 0.259 520 M C 2.184 178.495 176.300 0.018 0.000 1.072 520 M CA 1.804 57.109 55.300 0.008 0.000 1.117 520 M CB -0.483 32.127 32.600 0.016 0.000 1.320 520 M HN 0.052 nan 8.290 nan 0.000 0.408 521 E N -0.464 119.749 120.200 0.021 0.000 2.130 521 E HA -0.173 4.177 4.350 -0.000 0.000 0.196 521 E C 2.011 178.625 176.600 0.024 0.000 0.998 521 E CA 1.985 58.404 56.400 0.032 0.000 0.806 521 E CB -0.807 28.918 29.700 0.040 0.000 0.738 521 E HN 0.606 nan 8.360 nan 0.000 0.459 522 T N 1.154 115.715 114.554 0.011 0.000 2.668 522 T HA -0.031 4.319 4.350 -0.000 0.000 0.258 522 T C 2.024 176.703 174.700 -0.036 0.000 1.051 522 T CA 1.496 63.601 62.100 0.009 0.000 1.155 522 T CB -0.421 68.480 68.868 0.054 0.000 0.864 522 T HN 0.289 nan 8.240 nan 0.000 0.413 523 A N 0.828 123.598 122.820 -0.083 0.000 1.915 523 A HA -0.245 4.075 4.320 -0.000 0.000 0.220 523 A C 2.117 179.577 177.584 -0.207 0.000 1.198 523 A CA 2.305 54.224 52.037 -0.195 0.000 0.647 523 A CB -1.313 17.573 19.000 -0.191 0.000 0.825 523 A HN 0.611 nan 8.150 nan 0.000 0.456 524 Y N 0.192 120.355 120.300 -0.227 0.000 2.145 524 Y HA -0.074 4.476 4.550 -0.000 0.000 0.286 524 Y C 2.732 178.414 175.900 -0.362 0.000 1.145 524 Y CA 1.524 59.480 58.100 -0.240 0.000 1.148 524 Y CB -0.536 37.830 38.460 -0.156 0.000 0.981 524 Y HN 0.318 nan 8.280 nan 0.000 0.507 525 A N -1.226 121.364 122.820 -0.384 0.000 1.969 525 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 525 A C 2.213 179.525 177.584 -0.453 0.000 1.169 525 A CA 2.019 53.603 52.037 -0.755 0.000 0.635 525 A CB -1.207 17.344 19.000 -0.749 0.000 0.810 525 A HN 0.491 nan 8.150 nan 0.000 0.445 526 T N 0.220 114.603 114.554 -0.284 0.000 2.708 526 T HA -0.031 4.319 4.350 -0.000 0.000 0.266 526 T C 2.251 176.727 174.700 -0.373 0.000 1.037 526 T CA 1.589 63.585 62.100 -0.174 0.000 1.146 526 T CB -0.411 68.457 68.868 -0.001 0.000 0.865 526 T HN 0.594 nan 8.240 nan 0.000 0.435 527 A N 0.993 123.425 122.820 -0.647 0.000 1.858 527 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 527 A C 2.577 179.980 177.584 -0.301 0.000 1.190 527 A CA 1.522 53.086 52.037 -0.788 0.000 0.617 527 A CB -1.107 17.426 19.000 -0.779 0.000 0.827 527 A HN 0.343 nan 8.150 nan 0.000 0.443 528 V N 0.062 119.736 119.914 -0.400 0.000 2.392 528 V HA -0.244 3.876 4.120 -0.000 0.000 0.249 528 V C 2.787 178.863 176.094 -0.031 0.000 1.059 528 V CA 2.368 64.538 62.300 -0.216 0.000 1.051 528 V CB -0.835 30.828 31.823 -0.268 0.000 0.658 528 V HN 0.563 nan 8.190 nan 0.000 0.455 529 S N 0.098 115.754 115.700 -0.074 0.000 2.355 529 S HA -0.109 4.361 4.470 -0.000 0.000 0.222 529 S C 2.235 176.866 174.600 0.051 0.000 1.031 529 S CA 1.332 59.555 58.200 0.040 0.000 0.993 529 S CB -0.471 62.720 63.200 -0.015 0.000 0.859 529 S HN 0.651 nan 8.310 nan 0.000 0.453 530 A N 2.452 125.286 122.820 0.023 0.000 1.933 530 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 530 A C 1.951 179.657 177.584 0.203 0.000 1.175 530 A CA 1.295 53.391 52.037 0.099 0.000 0.628 530 A CB -0.640 18.580 19.000 0.368 0.000 0.814 530 A HN 0.441 nan 8.150 nan 0.000 0.444 531 N N -1.100 117.731 118.700 0.218 0.000 2.120 531 N HA -0.155 4.585 4.740 -0.000 0.000 0.188 531 N C 1.541 177.132 175.510 0.134 0.000 1.024 531 N CA 1.663 54.822 53.050 0.182 0.000 0.852 531 N CB -0.401 38.194 38.487 0.180 0.000 1.003 531 N HN 0.548 nan 8.380 nan 0.000 0.424 532 F N 1.913 121.862 119.950 -0.003 0.000 2.146 532 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 532 F C 1.226 176.931 175.800 -0.159 0.000 1.096 532 F CA 0.790 58.794 58.000 0.007 0.000 1.275 532 F CB -0.092 38.953 39.000 0.075 0.000 1.008 532 F HN -0.198 nan 8.300 nan 0.000 0.480 533 R N 1.448 121.654 120.500 -0.491 0.000 2.272 533 R HA 0.113 4.453 4.340 -0.000 0.000 0.334 533 R C -0.435 175.309 176.300 -0.926 0.000 1.117 533 R CA 0.404 55.801 56.100 -1.173 0.000 0.966 533 R CB -0.168 29.661 30.300 -0.785 0.000 1.049 533 R HN 0.251 nan 8.270 nan 0.000 0.477 534 T N 1.838 115.625 114.554 -1.278 0.000 3.855 534 T HA 0.209 4.558 4.350 -0.000 0.000 0.306 534 T C -0.310 173.843 174.700 -0.912 0.000 1.575 534 T CA -0.556 60.842 62.100 -1.169 0.000 1.214 534 T CB -0.416 67.643 68.868 -1.347 0.000 1.262 534 T HN 0.773 nan 8.240 nan 0.000 0.883 535 E N -0.694 119.159 120.200 -0.580 0.000 2.432 535 E HA 0.575 4.925 4.350 -0.000 0.000 0.279 535 E C -1.629 174.883 176.600 -0.147 0.000 1.099 535 E CA -1.210 55.055 56.400 -0.226 0.000 0.859 535 E CB 0.520 30.070 29.700 -0.250 0.000 1.402 535 E HN 0.028 nan 8.360 nan 0.000 0.451 536 S N 0.036 115.713 115.700 -0.038 0.000 2.552 536 S HA 0.665 5.135 4.470 -0.000 0.000 0.314 536 S C -1.030 173.595 174.600 0.042 0.000 1.099 536 S CA -0.740 57.430 58.200 -0.049 0.000 1.070 536 S CB 0.992 64.188 63.200 -0.008 0.000 0.998 536 S HN 0.486 nan 8.310 nan 0.000 0.474 537 R N 1.768 122.315 120.500 0.078 0.000 2.535 537 R HA 0.535 4.875 4.340 -0.000 0.000 0.274 537 R C 0.709 177.089 176.300 0.134 0.000 1.090 537 R CA 0.272 56.444 56.100 0.120 0.000 0.930 537 R CB 0.948 31.328 30.300 0.133 0.000 1.223 537 R HN 0.873 nan 8.270 nan 0.000 0.441 538 G N 2.315 111.191 108.800 0.126 0.000 2.672 538 G HA2 -0.479 3.481 3.960 -0.000 0.000 0.324 538 G HA3 -0.479 3.481 3.960 -0.000 0.000 0.324 538 G C 0.862 175.823 174.900 0.102 0.000 1.286 538 G CA 0.989 46.159 45.100 0.116 0.000 1.004 538 G HN 0.904 nan 8.290 nan 0.000 0.548 539 A N -0.861 122.034 122.820 0.124 0.000 1.969 539 A HA 0.154 4.473 4.320 -0.000 0.000 0.218 539 A C 1.410 179.077 177.584 0.139 0.000 1.169 539 A CA 2.023 54.139 52.037 0.132 0.000 0.635 539 A CB -0.512 18.610 19.000 0.204 0.000 0.810 539 A HN 1.450 nan 8.150 nan 0.000 0.445 540 H N 0.656 119.762 119.070 0.060 0.000 3.082 540 H HA 0.456 5.012 4.556 -0.000 0.000 0.275 540 H C -0.710 174.614 175.328 -0.007 0.000 1.032 540 H CA 0.206 56.277 56.048 0.038 0.000 1.477 540 H CB 0.049 29.830 29.762 0.031 0.000 1.520 540 H HN 0.080 nan 8.280 nan 0.000 0.521 541 S N 5.805 121.334 115.700 -0.286 0.000 2.733 541 S HA 0.431 4.901 4.470 -0.000 0.000 0.307 541 S C -0.619 173.799 174.600 -0.304 0.000 1.127 541 S CA -0.811 57.238 58.200 -0.252 0.000 1.097 541 S CB 0.145 63.226 63.200 -0.197 0.000 1.003 541 S HN 0.703 nan 8.310 nan 0.000 0.477 542 R N 3.349 123.686 120.500 -0.272 0.000 2.265 542 R HA 0.337 4.677 4.340 -0.000 0.000 0.328 542 R C 0.201 176.512 176.300 0.019 0.000 0.969 542 R CA -0.562 55.435 56.100 -0.172 0.000 0.832 542 R CB 0.569 30.813 30.300 -0.094 0.000 1.139 542 R HN 0.508 nan 8.270 nan 0.000 0.457 543 F N 1.993 121.969 119.950 0.044 0.000 2.069 543 F HA -0.258 4.268 4.527 -0.000 0.000 0.298 543 F C 2.267 178.056 175.800 -0.018 0.000 1.113 543 F CA 1.679 59.681 58.000 0.003 0.000 1.214 543 F CB -0.382 38.596 39.000 -0.036 0.000 0.978 543 F HN 0.580 nan 8.300 nan 0.000 0.474 544 D N -1.121 119.392 120.400 0.188 0.000 2.310 544 D HA -0.206 4.434 4.640 -0.000 0.000 0.212 544 D C 0.155 176.288 176.300 -0.279 0.000 0.965 544 D CA 0.850 54.840 54.000 -0.017 0.000 0.879 544 D CB -0.733 40.080 40.800 0.022 0.000 0.921 544 D HN 0.300 nan 8.370 nan 0.000 0.510 545 F N 0.252 120.217 119.950 0.024 0.000 2.769 545 F HA 0.283 4.809 4.527 -0.000 0.000 0.358 545 F C -1.891 173.911 175.800 0.004 0.000 1.285 545 F CA -1.860 56.145 58.000 0.008 0.000 1.199 545 F CB 2.148 41.130 39.000 -0.030 0.000 1.558 545 F HN -0.219 nan 8.300 nan 0.000 0.583 546 P HA 0.008 nan 4.420 nan 0.000 0.245 546 P C -0.347 177.023 177.300 0.116 0.000 1.212 546 P CA 0.679 63.858 63.100 0.131 0.000 0.774 546 P CB 0.366 32.141 31.700 0.124 0.000 0.999 547 D N 0.412 120.887 120.400 0.125 0.000 2.175 547 D HA 0.197 4.837 4.640 -0.000 0.000 0.248 547 D C 0.197 176.567 176.300 0.116 0.000 1.047 547 D CA -0.493 53.576 54.000 0.114 0.000 0.883 547 D CB 1.364 42.232 40.800 0.113 0.000 1.180 547 D HN -0.123 nan 8.370 nan 0.000 0.438 548 R N 1.226 121.790 120.500 0.107 0.000 2.442 548 R HA 0.082 4.422 4.340 -0.000 0.000 0.291 548 R C -0.697 175.681 176.300 0.131 0.000 1.069 548 R CA -0.136 56.033 56.100 0.114 0.000 1.022 548 R CB 0.419 30.784 30.300 0.110 0.000 0.976 548 R HN 0.259 nan 8.270 nan 0.000 0.443 549 D N 3.149 123.655 120.400 0.176 0.000 2.438 549 D HA 0.114 4.754 4.640 -0.000 0.000 0.257 549 D C -0.435 175.980 176.300 0.191 0.000 1.148 549 D CA -0.498 53.625 54.000 0.205 0.000 0.902 549 D CB 1.062 42.047 40.800 0.309 0.000 1.062 549 D HN 0.423 nan 8.370 nan 0.000 0.518 550 D N 1.823 122.290 120.400 0.112 0.000 2.348 550 D HA -0.066 4.574 4.640 -0.000 0.000 0.216 550 D C 1.375 177.698 176.300 0.039 0.000 0.970 550 D CA 0.544 54.588 54.000 0.074 0.000 0.889 550 D CB 0.414 41.231 40.800 0.029 0.000 0.912 550 D HN 0.595 nan 8.370 nan 0.000 0.524 551 E N -0.067 120.154 120.200 0.035 0.000 2.152 551 E HA -0.021 4.328 4.350 -0.000 0.000 0.192 551 E C 1.145 177.705 176.600 -0.067 0.000 0.983 551 E CA 0.560 56.956 56.400 -0.007 0.000 0.818 551 E CB 0.245 29.948 29.700 0.004 0.000 0.758 551 E HN 0.256 nan 8.360 nan 0.000 0.467 552 N N -1.691 116.950 118.700 -0.098 0.000 2.257 552 N HA 0.024 4.764 4.740 -0.000 0.000 0.200 552 N C 0.292 175.418 175.510 -0.639 0.000 1.163 552 N CA 0.212 53.033 53.050 -0.381 0.000 0.891 552 N CB 0.466 38.673 38.487 -0.467 0.000 1.067 552 N HN 0.158 nan 8.380 nan 0.000 0.497 553 W N 0.702 121.991 121.300 -0.019 0.000 2.467 553 W HA 0.377 5.037 4.660 -0.000 0.000 0.369 553 W C 0.067 176.582 176.519 -0.007 0.000 0.938 553 W CA -0.442 56.889 57.345 -0.022 0.000 1.845 553 W CB 0.307 29.749 29.460 -0.030 0.000 1.167 553 W HN -0.159 nan 8.180 nan 0.000 0.558 554 L N 3.570 124.866 121.223 0.123 0.000 2.376 554 L HA 0.305 4.645 4.340 -0.000 0.000 0.250 554 L C 0.248 177.129 176.870 0.019 0.000 1.335 554 L CA -0.219 54.667 54.840 0.076 0.000 1.214 554 L CB -1.426 40.660 42.059 0.045 0.000 1.395 554 L HN 0.192 nan 8.230 nan 0.000 0.424 555 C N -0.678 118.633 119.300 0.018 0.000 3.167 555 C HA 0.420 4.880 4.460 -0.000 0.000 0.348 555 C C -0.519 174.445 174.990 -0.042 0.000 1.394 555 C CA -1.179 57.805 59.018 -0.057 0.000 1.204 555 C CB 1.149 28.901 27.740 0.019 0.000 1.467 555 C HN 0.478 nan 8.230 nan 0.000 0.446 556 H N 1.233 120.389 119.070 0.143 0.000 2.481 556 H HA 0.653 5.209 4.556 -0.000 0.000 0.339 556 H C 0.371 175.823 175.328 0.207 0.000 1.131 556 H CA 0.713 56.848 56.048 0.145 0.000 1.301 556 H CB 1.920 31.734 29.762 0.085 0.000 1.476 556 H HN 0.954 nan 8.280 nan 0.000 0.529 557 S N 2.326 118.242 115.700 0.360 0.000 2.541 557 S HA 0.476 4.946 4.470 -0.000 0.000 0.283 557 S C -0.391 174.330 174.600 0.202 0.000 1.196 557 S CA -0.845 57.573 58.200 0.364 0.000 1.062 557 S CB 1.284 64.744 63.200 0.434 0.000 1.009 557 S HN 0.372 nan 8.310 nan 0.000 0.502 558 L N 3.026 124.322 121.223 0.123 0.000 2.406 558 L HA 0.486 4.826 4.340 -0.000 0.000 0.272 558 L C -1.508 175.374 176.870 0.020 0.000 0.980 558 L CA -0.758 54.117 54.840 0.058 0.000 0.831 558 L CB 1.731 43.809 42.059 0.032 0.000 1.253 558 L HN 0.862 nan 8.230 nan 0.000 0.406 559 Y N 5.725 125.982 120.300 -0.071 0.000 2.404 559 Y HA 0.522 5.072 4.550 -0.000 0.000 0.344 559 Y C -0.894 174.971 175.900 -0.058 0.000 0.995 559 Y CA -0.516 57.535 58.100 -0.082 0.000 1.201 559 Y CB 0.606 39.035 38.460 -0.053 0.000 1.151 559 Y HN 0.509 nan 8.280 nan 0.000 0.517 560 L N 10.079 131.002 121.223 -0.500 0.000 2.283 560 L HA 0.270 4.610 4.340 -0.000 0.000 0.287 560 L C -1.557 174.937 176.870 -0.626 0.000 1.073 560 L CA -1.712 52.876 54.840 -0.421 0.000 0.822 560 L CB 1.014 42.914 42.059 -0.266 0.000 1.186 560 L HN 0.583 nan 8.230 nan 0.000 0.436 561 P HA -0.056 nan 4.420 nan 0.000 0.225 561 P C 0.923 178.110 177.300 -0.188 0.000 1.156 561 P CA 0.868 63.767 63.100 -0.335 0.000 0.787 561 P CB 0.489 32.153 31.700 -0.061 0.000 0.802 562 E N -0.101 120.006 120.200 -0.155 0.000 2.170 562 E HA -0.037 4.313 4.350 -0.000 0.000 0.191 562 E C 1.658 178.203 176.600 -0.091 0.000 0.981 562 E CA 1.229 57.572 56.400 -0.094 0.000 0.830 562 E CB -0.060 29.597 29.700 -0.071 0.000 0.775 562 E HN 0.292 nan 8.360 nan 0.000 0.470 563 S N -0.091 115.534 115.700 -0.124 0.000 2.535 563 S HA 0.082 4.552 4.470 -0.000 0.000 0.214 563 S C 0.376 174.920 174.600 -0.092 0.000 0.980 563 S CA -0.159 57.986 58.200 -0.091 0.000 0.907 563 S CB 0.152 63.299 63.200 -0.089 0.000 0.790 563 S HN 0.170 nan 8.310 nan 0.000 0.510 564 E N 1.329 121.429 120.200 -0.168 0.000 2.660 564 E HA -0.192 4.158 4.350 -0.000 0.000 0.260 564 E C -0.143 176.408 176.600 -0.081 0.000 1.122 564 E CA 0.716 57.045 56.400 -0.119 0.000 0.755 564 E CB -2.052 27.728 29.700 0.134 0.000 1.345 564 E HN 0.828 nan 8.360 nan 0.000 0.421 565 S N -1.017 114.568 115.700 -0.191 0.000 2.718 565 S HA 0.750 5.220 4.470 -0.000 0.000 0.300 565 S C 0.273 174.737 174.600 -0.226 0.000 1.117 565 S CA -1.128 56.991 58.200 -0.136 0.000 1.002 565 S CB 2.062 65.200 63.200 -0.104 0.000 1.092 565 S HN 0.082 nan 8.310 nan 0.000 0.542 566 M N 1.162 120.577 119.600 -0.307 0.000 2.613 566 M HA 0.680 5.160 4.480 -0.000 0.000 0.301 566 M C 0.213 176.224 176.300 -0.481 0.000 1.205 566 M CA -0.282 54.674 55.300 -0.573 0.000 0.950 566 M CB 1.412 33.181 32.600 -1.384 0.000 1.585 566 M HN 1.010 nan 8.290 nan 0.000 0.490 567 T N -0.085 114.234 114.554 -0.391 0.000 2.693 567 T HA 0.580 4.930 4.350 -0.000 0.000 0.304 567 T C -1.360 173.392 174.700 0.087 0.000 1.471 567 T CA -0.695 61.350 62.100 -0.092 0.000 0.993 567 T CB 1.739 70.573 68.868 -0.057 0.000 1.554 567 T HN 0.700 nan 8.240 nan 0.000 0.496 568 R N 0.348 120.930 120.500 0.137 0.000 2.856 568 R HA 0.860 5.200 4.340 -0.000 0.000 0.258 568 R C -0.521 175.851 176.300 0.120 0.000 1.066 568 R CA -0.986 55.220 56.100 0.177 0.000 1.045 568 R CB 1.460 31.837 30.300 0.129 0.000 1.178 568 R HN 0.434 nan 8.270 nan 0.000 0.499 569 R N -0.291 120.302 120.500 0.156 0.000 2.651 569 R HA 0.306 4.646 4.340 -0.000 0.000 0.278 569 R C -0.975 175.416 176.300 0.152 0.000 1.010 569 R CA -0.603 55.581 56.100 0.141 0.000 0.896 569 R CB 2.577 32.972 30.300 0.158 0.000 1.211 569 R HN 0.575 nan 8.270 nan 0.000 0.456 570 S N 0.990 116.753 115.700 0.106 0.000 2.563 570 S HA 0.062 4.532 4.470 -0.000 0.000 0.284 570 S C 0.099 174.757 174.600 0.097 0.000 1.331 570 S CA -0.377 57.865 58.200 0.071 0.000 1.047 570 S CB 0.723 63.955 63.200 0.053 0.000 0.859 570 S HN 0.229 nan 8.310 nan 0.000 0.514 571 V N 4.359 124.264 119.914 -0.015 0.000 2.546 571 V HA 0.178 4.298 4.120 -0.000 0.000 0.284 571 V C 0.721 176.851 176.094 0.060 0.000 1.050 571 V CA -0.822 61.455 62.300 -0.038 0.000 0.981 571 V CB 1.148 32.894 31.823 -0.130 0.000 0.990 571 V HN 0.808 nan 8.190 nan 0.000 0.474 572 N N 5.419 124.183 118.700 0.106 0.000 2.470 572 N HA 0.203 4.943 4.740 -0.000 0.000 0.268 572 N C -0.101 175.466 175.510 0.095 0.000 1.136 572 N CA -0.068 53.036 53.050 0.091 0.000 0.961 572 N CB 0.998 39.540 38.487 0.091 0.000 1.067 572 N HN 0.604 nan 8.380 nan 0.000 0.468 573 M N 2.407 122.057 119.600 0.083 0.000 2.705 573 M HA 0.215 4.695 4.480 -0.000 0.000 0.387 573 M C -0.755 175.593 176.300 0.079 0.000 1.204 573 M CA -0.004 55.352 55.300 0.094 0.000 0.905 573 M CB 0.177 32.826 32.600 0.083 0.000 1.394 573 M HN 0.405 nan 8.290 nan 0.000 0.515 574 E N 2.185 122.431 120.200 0.076 0.000 2.593 574 E HA 0.337 4.687 4.350 -0.000 0.000 0.232 574 E C -2.437 174.211 176.600 0.080 0.000 1.026 574 E CA -1.562 54.877 56.400 0.065 0.000 0.772 574 E CB 1.996 31.724 29.700 0.047 0.000 1.310 574 E HN 0.098 nan 8.360 nan 0.000 0.413 575 P HA 0.083 nan 4.420 nan 0.000 0.275 575 P C 0.433 177.795 177.300 0.102 0.000 1.266 575 P CA -0.400 62.776 63.100 0.125 0.000 0.793 575 P CB 1.085 32.882 31.700 0.161 0.000 1.074 576 K N -0.018 120.453 120.400 0.119 0.000 2.350 576 K HA 0.238 4.558 4.320 -0.000 0.000 0.196 576 K C 1.499 178.163 176.600 0.106 0.000 1.084 576 K CA 0.880 57.223 56.287 0.095 0.000 0.967 576 K CB -0.120 32.430 32.500 0.083 0.000 0.950 576 K HN 0.338 nan 8.250 nan 0.000 0.512 577 L N 0.779 122.101 121.223 0.164 0.000 2.701 577 L HA 0.249 4.589 4.340 -0.000 0.000 0.238 577 L C 0.753 177.737 176.870 0.189 0.000 1.106 577 L CA -0.230 54.727 54.840 0.196 0.000 0.898 577 L CB 0.227 42.458 42.059 0.286 0.000 1.188 577 L HN 0.027 nan 8.230 nan 0.000 0.508 578 R N -0.381 120.213 120.500 0.157 0.000 2.817 578 R HA 0.637 4.976 4.340 -0.000 0.000 0.268 578 R C -3.078 173.208 176.300 -0.024 0.000 1.027 578 R CA -1.629 54.496 56.100 0.042 0.000 0.928 578 R CB 0.824 31.128 30.300 0.006 0.000 1.228 578 R HN -0.337 nan 8.270 nan 0.000 0.469 579 P HA 0.213 nan 4.420 nan 0.000 0.276 579 P C -0.598 176.563 177.300 -0.231 0.000 1.252 579 P CA -0.511 62.513 63.100 -0.127 0.000 0.802 579 P CB 0.705 32.325 31.700 -0.132 0.000 1.035 580 A N 0.805 123.548 122.820 -0.128 0.000 2.448 580 A HA 0.308 4.627 4.320 -0.000 0.000 0.239 580 A C -0.387 177.078 177.584 -0.198 0.000 1.080 580 A CA 0.045 52.035 52.037 -0.078 0.000 0.779 580 A CB -0.732 18.292 19.000 0.040 0.000 1.026 580 A HN 0.398 nan 8.150 nan 0.000 0.499 581 F N 1.827 121.875 119.950 0.163 0.000 2.405 581 F HA 0.401 4.928 4.527 -0.000 0.000 0.355 581 F C -1.686 174.241 175.800 0.212 0.000 1.121 581 F CA -1.956 56.171 58.000 0.210 0.000 1.112 581 F CB 1.234 40.406 39.000 0.287 0.000 1.126 581 F HN 0.332 nan 8.300 nan 0.000 0.481 582 P HA 0.238 nan 4.420 nan 0.000 0.278 582 P C -2.752 174.526 177.300 -0.037 0.000 1.238 582 P CA -2.001 61.168 63.100 0.116 0.000 0.794 582 P CB 0.247 31.975 31.700 0.046 0.000 0.955 583 P HA 0.150 nan 4.420 nan 0.000 0.271 583 P C -0.279 176.648 177.300 -0.622 0.000 1.233 583 P CA 0.249 62.813 63.100 -0.894 0.000 0.764 583 P CB 0.176 31.608 31.700 -0.446 0.000 0.825 584 K N 2.362 122.317 120.400 -0.742 0.000 2.261 584 K HA 0.624 4.944 4.320 -0.000 0.000 0.242 584 K C -0.472 176.023 176.600 -0.174 0.000 1.083 584 K CA -1.153 54.973 56.287 -0.267 0.000 0.880 584 K CB 0.807 33.260 32.500 -0.079 0.000 1.353 584 K HN 0.059 nan 8.250 nan 0.000 0.486 585 I N 1.477 122.021 120.570 -0.044 0.000 2.648 585 I HA 0.074 4.244 4.170 -0.000 0.000 0.284 585 I C 0.393 176.546 176.117 0.059 0.000 1.153 585 I CA -0.027 61.281 61.300 0.014 0.000 1.426 585 I CB 0.515 38.528 38.000 0.020 0.000 1.381 585 I HN 0.463 nan 8.210 nan 0.000 0.571 586 R N 5.686 126.240 120.500 0.090 0.000 2.278 586 R HA 0.390 4.730 4.340 -0.000 0.000 0.322 586 R C -1.047 175.270 176.300 0.027 0.000 1.058 586 R CA -0.291 55.855 56.100 0.077 0.000 0.991 586 R CB 0.545 30.944 30.300 0.164 0.000 1.140 586 R HN 0.823 nan 8.270 nan 0.000 0.518 587 T N 0.012 114.537 114.554 -0.048 0.000 2.906 587 T HA 0.427 4.777 4.350 -0.000 0.000 0.295 587 T C -0.689 173.939 174.700 -0.120 0.000 1.061 587 T CA -0.637 61.465 62.100 0.003 0.000 1.000 587 T CB 1.315 70.220 68.868 0.061 0.000 1.103 587 T HN 0.312 nan 8.240 nan 0.000 0.486 588 Y N 0.000 120.341 120.300 0.068 0.000 2.660 588 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 588 Y CA 0.000 58.133 58.100 0.055 0.000 1.940 588 Y CB 0.000 38.487 38.460 0.045 0.000 1.050 588 Y HN 0.000 nan 8.280 nan 0.000 0.758