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 1ui8_1_A DATA FIRST_RESID 9 DATA SEQUENCE ASPFRLASAG EISEVQGILR TAGLLGPEKR IAYLGVLDPA RGAGSEAEDR DATA SEQUENCE RFRVFIHDVS GARPQEVTVS VTNGTVISAV ELDTAATGEL PVLEEEFEVV DATA SEQUENCE EQLLATDERW LKALAARNLD VSKVRVAPLS AGVFEYAEER GRRILRGLAF DATA SEQUENCE VQDFPEDSAW AHPVDGLVAY VDVVSKEVTR VIDTGVFPVP AEHGNYTDPE DATA SEQUENCE LTGPLRTTQK PISITQPEGP SFTVTGGNHI EWEKWSLDVG FDVREGVVLH DATA SEQUENCE NIAFRDGDRL RPIINRASIA EMVVPYGDPS PIRSWQNYFD TGEYLVGQYA DATA SEQUENCE NSLELGCDcL GDITYLSPVI SDAFGNPREI RNGIcMHEED WGILAKHSDL DATA SEQUENCE WSGINYTRRN RRMVISFFTT IGNXDYGFYW YLYLDGTIEF EAKATGVVFT DATA SEQUENCE SAFPEGGSDN ISQLAPGLGA PFHQHIFSAR LDMAIDGFTN RVEEEDVVRQ DATA SEQUENCE TMGPGNERGN AFSRKRTVLT RESEAVREAD ARTGRTWIIS NPESKNRLNE DATA SEQUENCE PVGYKLHAHN QPTLLADPGS SIARRAAFAT KDLWVTRYAD DERYPTGDFV DATA SEQUENCE NQHSGGAGLP SYIAQDRDID GQDIVVWHTF GLTAFPRVED WPIMPVDTVG DATA SEQUENCE FKLRPEGFFD RSPVLDVPAN 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.585 177.584 0.002 0.000 1.274 9 A CA 0.000 52.040 52.037 0.006 0.000 0.836 9 A CB 0.000 19.011 19.000 0.018 0.000 0.831 10 S N 0.486 116.198 115.700 0.019 0.000 2.580 10 S HA 0.485 4.932 4.470 -0.037 0.000 0.274 10 S C -1.856 172.736 174.600 -0.013 0.000 1.329 10 S CA -0.645 57.581 58.200 0.042 0.000 1.036 10 S CB 0.794 64.061 63.200 0.111 0.000 0.919 10 S HN 0.286 nan 8.310 nan 0.000 0.515 11 P HA 0.107 nan 4.420 nan 0.000 0.234 11 P C -0.092 176.850 177.300 -0.597 0.000 1.167 11 P CA 0.802 63.696 63.100 -0.344 0.000 0.763 11 P CB -0.008 31.416 31.700 -0.461 0.000 0.835 12 F N -0.566 119.311 119.950 -0.121 0.000 2.639 12 F HA 0.188 4.693 4.527 -0.038 0.000 0.302 12 F C 1.388 177.120 175.800 -0.112 0.000 1.097 12 F CA -0.699 57.184 58.000 -0.195 0.000 1.294 12 F CB -0.219 38.651 39.000 -0.216 0.000 1.027 12 F HN -0.186 nan 8.300 nan 0.000 0.550 13 R N 0.705 121.226 120.500 0.035 0.000 2.784 13 R HA 0.279 4.596 4.340 -0.037 0.000 0.266 13 R C -0.192 176.125 176.300 0.029 0.000 1.044 13 R CA -0.461 55.670 56.100 0.052 0.000 1.151 13 R CB 0.432 30.754 30.300 0.036 0.000 1.037 13 R HN 0.145 nan 8.270 nan 0.000 0.478 14 L N 1.482 122.738 121.223 0.055 0.000 2.461 14 L HA 0.185 4.502 4.340 -0.037 0.000 0.272 14 L C 0.760 177.666 176.870 0.061 0.000 1.197 14 L CA -0.338 54.537 54.840 0.059 0.000 0.836 14 L CB 0.680 42.776 42.059 0.062 0.000 1.105 14 L HN 0.848 nan 8.230 nan 0.000 0.477 15 A N 2.302 125.174 122.820 0.087 0.000 2.498 15 A HA 0.357 4.654 4.320 -0.037 0.000 0.239 15 A C 0.358 178.012 177.584 0.118 0.000 1.068 15 A CA -0.197 51.944 52.037 0.175 0.000 0.766 15 A CB 0.140 19.322 19.000 0.302 0.000 1.003 15 A HN 0.763 nan 8.150 nan 0.000 0.497 16 S N 1.260 117.022 115.700 0.104 0.000 2.687 16 S HA 0.611 5.059 4.470 -0.037 0.000 0.283 16 S C 1.198 175.808 174.600 0.017 0.000 1.170 16 S CA -0.204 58.024 58.200 0.046 0.000 1.008 16 S CB 1.480 64.700 63.200 0.033 0.000 1.026 16 S HN 1.577 nan 8.310 nan 0.000 0.541 17 A N 1.641 124.461 122.820 0.000 0.000 1.908 17 A HA 0.098 4.396 4.320 -0.037 0.000 0.218 17 A C 2.168 179.728 177.584 -0.039 0.000 1.181 17 A CA 1.891 53.918 52.037 -0.018 0.000 0.627 17 A CB -1.863 17.128 19.000 -0.014 0.000 0.818 17 A HN 1.188 nan 8.150 nan 0.000 0.445 18 G N -0.601 108.180 108.800 -0.031 0.000 2.440 18 G HA2 -0.237 3.701 3.960 -0.037 0.000 0.218 18 G HA3 -0.237 3.701 3.960 -0.037 0.000 0.218 18 G C 1.429 176.278 174.900 -0.083 0.000 1.154 18 G CA 1.023 46.096 45.100 -0.045 0.000 0.767 18 G HN 0.669 nan 8.290 nan 0.000 0.552 19 E N -0.175 119.972 120.200 -0.088 0.000 2.150 19 E HA -0.031 4.296 4.350 -0.037 0.000 0.193 19 E C 2.479 178.838 176.600 -0.402 0.000 0.985 19 E CA 0.414 56.698 56.400 -0.193 0.000 0.814 19 E CB -0.095 29.562 29.700 -0.072 0.000 0.752 19 E HN 0.501 nan 8.360 nan 0.000 0.466 20 I N 0.535 120.932 120.570 -0.290 0.000 2.286 20 I HA -0.219 3.929 4.170 -0.037 0.000 0.245 20 I C 2.345 178.334 176.117 -0.213 0.000 1.104 20 I CA 0.677 61.797 61.300 -0.299 0.000 1.397 20 I CB -0.084 37.829 38.000 -0.144 0.000 1.072 20 I HN -0.021 nan 8.210 nan 0.000 0.417 21 S N 0.174 115.790 115.700 -0.139 0.000 2.399 21 S HA -0.225 4.222 4.470 -0.037 0.000 0.231 21 S C 1.881 176.414 174.600 -0.111 0.000 1.022 21 S CA 1.390 59.532 58.200 -0.096 0.000 0.983 21 S CB -0.208 62.954 63.200 -0.064 0.000 0.803 21 S HN 0.369 nan 8.310 nan 0.000 0.480 22 E N 1.062 121.174 120.200 -0.146 0.000 2.106 22 E HA -0.071 4.256 4.350 -0.037 0.000 0.192 22 E C 1.837 178.342 176.600 -0.159 0.000 0.984 22 E CA 0.838 57.156 56.400 -0.137 0.000 0.806 22 E CB -0.219 29.397 29.700 -0.140 0.000 0.750 22 E HN 0.266 nan 8.360 nan 0.000 0.458 23 V N 0.727 120.491 119.914 -0.248 0.000 2.358 23 V HA -0.242 3.856 4.120 -0.037 0.000 0.246 23 V C 2.531 178.552 176.094 -0.121 0.000 1.047 23 V CA 2.078 64.244 62.300 -0.224 0.000 1.035 23 V CB -0.585 31.027 31.823 -0.353 0.000 0.658 23 V HN 0.386 nan 8.190 nan 0.000 0.452 24 Q N 0.288 120.023 119.800 -0.109 0.000 2.030 24 Q HA -0.190 4.127 4.340 -0.037 0.000 0.204 24 Q C 2.275 178.253 176.000 -0.037 0.000 0.986 24 Q CA 2.257 58.028 55.803 -0.053 0.000 0.843 24 Q CB -0.553 28.162 28.738 -0.039 0.000 0.904 24 Q HN 0.629 nan 8.270 nan 0.000 0.420 25 G N 1.132 109.904 108.800 -0.048 0.000 2.446 25 G HA2 -0.265 3.673 3.960 -0.037 0.000 0.217 25 G HA3 -0.265 3.673 3.960 -0.037 0.000 0.217 25 G C 1.429 176.311 174.900 -0.029 0.000 1.168 25 G CA 1.092 46.171 45.100 -0.035 0.000 0.771 25 G HN 0.397 nan 8.290 nan 0.000 0.551 26 I N 0.371 120.918 120.570 -0.039 0.000 2.208 26 I HA -0.168 3.980 4.170 -0.037 0.000 0.245 26 I C 2.754 178.862 176.117 -0.014 0.000 1.097 26 I CA 0.766 62.050 61.300 -0.027 0.000 1.363 26 I CB -0.214 37.766 38.000 -0.033 0.000 1.051 26 I HN 0.144 nan 8.210 nan 0.000 0.413 27 L N -0.078 121.136 121.223 -0.015 0.000 2.027 27 L HA -0.186 4.132 4.340 -0.037 0.000 0.206 27 L C 2.792 179.665 176.870 0.004 0.000 1.074 27 L CA 1.337 56.178 54.840 0.001 0.000 0.745 27 L CB -0.578 41.484 42.059 0.004 0.000 0.898 27 L HN 0.142 nan 8.230 nan 0.000 0.433 28 R N -0.502 119.998 120.500 0.001 0.000 2.080 28 R HA -0.161 4.156 4.340 -0.037 0.000 0.236 28 R C 2.314 178.615 176.300 0.000 0.000 1.137 28 R CA 2.144 58.246 56.100 0.004 0.000 0.943 28 R CB -0.693 29.608 30.300 0.001 0.000 0.846 28 R HN 0.310 nan 8.270 nan 0.000 0.431 29 T N 0.596 115.148 114.554 -0.004 0.000 2.759 29 T HA -0.162 4.166 4.350 -0.037 0.000 0.269 29 T C 1.681 176.380 174.700 -0.002 0.000 1.042 29 T CA 1.494 63.591 62.100 -0.005 0.000 1.140 29 T CB -0.193 68.671 68.868 -0.008 0.000 0.864 29 T HN 0.395 nan 8.240 nan 0.000 0.455 30 A N 0.315 123.135 122.820 0.001 0.000 2.235 30 A HA 0.474 4.772 4.320 -0.037 0.000 0.208 30 A C 1.843 179.429 177.584 0.005 0.000 1.172 30 A CA 0.825 52.864 52.037 0.004 0.000 0.786 30 A CB -0.876 18.129 19.000 0.007 0.000 0.804 30 A HN 0.779 nan 8.150 nan 0.000 0.479 31 G N -1.199 107.604 108.800 0.004 0.000 2.176 31 G HA2 -0.235 3.702 3.960 -0.037 0.000 0.252 31 G HA3 -0.235 3.702 3.960 -0.037 0.000 0.252 31 G C 0.457 175.362 174.900 0.007 0.000 1.024 31 G CA 0.500 45.602 45.100 0.004 0.000 0.755 31 G HN 0.533 nan 8.290 nan 0.000 0.507 32 L N -1.348 119.882 121.223 0.012 0.000 2.640 32 L HA 0.436 4.753 4.340 -0.037 0.000 0.230 32 L C 1.188 178.072 176.870 0.022 0.000 1.123 32 L CA -0.021 54.829 54.840 0.017 0.000 0.900 32 L CB 0.516 42.589 42.059 0.023 0.000 1.146 32 L HN 0.199 nan 8.230 nan 0.000 0.484 33 L N 0.522 121.760 121.223 0.024 0.000 2.960 33 L HA 0.480 4.798 4.340 -0.037 0.000 0.274 33 L C 0.839 177.735 176.870 0.045 0.000 1.327 33 L CA -0.220 54.644 54.840 0.040 0.000 0.860 33 L CB 0.233 42.319 42.059 0.045 0.000 1.239 33 L HN -0.034 nan 8.230 nan 0.000 0.551 34 G N 0.339 109.157 108.800 0.030 0.000 2.631 34 G HA2 0.250 4.188 3.960 -0.037 0.000 0.271 34 G HA3 0.250 4.188 3.960 -0.037 0.000 0.271 34 G C -1.550 173.378 174.900 0.046 0.000 1.302 34 G CA -0.602 44.514 45.100 0.025 0.000 1.002 34 G HN 0.349 nan 8.290 nan 0.000 0.519 35 P HA -0.051 nan 4.420 nan 0.000 0.218 35 P C 1.308 178.651 177.300 0.073 0.000 1.148 35 P CA 0.965 64.094 63.100 0.048 0.000 0.822 35 P CB 0.293 32.002 31.700 0.016 0.000 0.784 36 E N -0.978 119.241 120.200 0.032 0.000 2.479 36 E HA 0.057 4.385 4.350 -0.037 0.000 0.193 36 E C 0.322 176.904 176.600 -0.029 0.000 1.049 36 E CA 0.492 56.893 56.400 0.001 0.000 0.870 36 E CB -0.039 29.639 29.700 -0.037 0.000 0.944 36 E HN 0.308 nan 8.360 nan 0.000 0.492 37 K N 1.476 121.884 120.400 0.012 0.000 2.118 37 K HA 0.370 4.667 4.320 -0.037 0.000 0.267 37 K C 0.377 176.979 176.600 0.003 0.000 0.991 37 K CA -0.475 55.806 56.287 -0.009 0.000 0.916 37 K CB 1.472 33.983 32.500 0.017 0.000 1.041 37 K HN -0.172 nan 8.250 nan 0.000 0.455 38 R N 1.715 122.197 120.500 -0.031 0.000 2.604 38 R HA 0.419 4.737 4.340 -0.037 0.000 0.281 38 R C -0.218 176.065 176.300 -0.028 0.000 1.020 38 R CA -0.680 55.355 56.100 -0.107 0.000 0.899 38 R CB 1.208 31.461 30.300 -0.077 0.000 1.205 38 R HN 0.587 nan 8.270 nan 0.000 0.450 39 I N 2.451 122.974 120.570 -0.080 0.000 2.347 39 I HA 0.080 4.227 4.170 -0.037 0.000 0.294 39 I C 1.359 177.480 176.117 0.006 0.000 1.090 39 I CA 0.094 61.388 61.300 -0.010 0.000 1.314 39 I CB 1.390 39.364 38.000 -0.042 0.000 1.423 39 I HN 0.726 nan 8.210 nan 0.000 0.503 40 A N 6.800 129.686 122.820 0.110 0.000 2.123 40 A HA -0.002 4.296 4.320 -0.037 0.000 0.214 40 A C 0.319 178.024 177.584 0.203 0.000 1.152 40 A CA 0.858 52.977 52.037 0.136 0.000 0.728 40 A CB 0.111 19.225 19.000 0.189 0.000 0.814 40 A HN 0.694 nan 8.150 nan 0.000 0.464 41 Y N -2.239 118.075 120.300 0.023 0.000 2.465 41 Y HA 0.523 5.051 4.550 -0.038 0.000 0.323 41 Y C -1.961 173.836 175.900 -0.170 0.000 1.191 41 Y CA -1.141 56.884 58.100 -0.125 0.000 1.082 41 Y CB 0.905 39.174 38.460 -0.318 0.000 1.334 41 Y HN 0.142 nan 8.280 nan 0.000 0.449 42 L N 5.335 125.872 121.223 -1.143 0.000 2.505 42 L HA 0.990 5.308 4.340 -0.037 0.000 0.266 42 L C -1.217 175.113 176.870 -0.900 0.000 0.954 42 L CA -0.229 54.148 54.840 -0.771 0.000 0.852 42 L CB 2.125 44.010 42.059 -0.289 0.000 1.282 42 L HN 0.964 nan 8.230 nan 0.000 0.403 43 G N 3.011 111.481 108.800 -0.551 0.000 2.742 43 G HA2 0.448 4.385 3.960 -0.037 0.000 0.296 43 G HA3 0.448 4.385 3.960 -0.037 0.000 0.296 43 G C -1.814 172.950 174.900 -0.227 0.000 1.436 43 G CA -0.565 44.371 45.100 -0.273 0.000 0.928 43 G HN 0.494 nan 8.290 nan 0.000 0.520 44 V N 1.824 121.440 119.914 -0.497 0.000 2.740 44 V HA 0.394 4.492 4.120 -0.037 0.000 0.303 44 V C -0.032 175.797 176.094 -0.442 0.000 1.054 44 V CA -0.375 61.341 62.300 -0.973 0.000 1.106 44 V CB 0.985 32.185 31.823 -1.038 0.000 0.957 44 V HN 0.579 nan 8.190 nan 0.000 0.486 45 L N 5.618 126.603 121.223 -0.398 0.000 2.326 45 L HA 0.446 4.763 4.340 -0.037 0.000 0.278 45 L C 0.236 176.969 176.870 -0.230 0.000 1.092 45 L CA 0.040 54.754 54.840 -0.211 0.000 0.810 45 L CB 0.974 42.949 42.059 -0.140 0.000 1.153 45 L HN 0.643 nan 8.230 nan 0.000 0.439 46 D N 4.039 124.348 120.400 -0.151 0.000 2.362 46 D HA 0.202 4.820 4.640 -0.037 0.000 0.242 46 D C -2.025 174.158 176.300 -0.194 0.000 1.132 46 D CA -0.905 52.991 54.000 -0.174 0.000 0.907 46 D CB 0.400 41.202 40.800 0.005 0.000 1.195 46 D HN 0.310 nan 8.370 nan 0.000 0.429 47 P HA 0.149 nan 4.420 nan 0.000 0.265 47 P C -0.681 176.563 177.300 -0.094 0.000 1.193 47 P CA -0.090 62.865 63.100 -0.241 0.000 0.765 47 P CB 0.550 32.026 31.700 -0.374 0.000 0.823 48 A N 3.725 126.505 122.820 -0.067 0.000 2.366 48 A HA 0.213 4.511 4.320 -0.037 0.000 0.250 48 A C 0.455 178.016 177.584 -0.038 0.000 1.099 48 A CA -0.224 51.795 52.037 -0.029 0.000 0.794 48 A CB 0.123 19.109 19.000 -0.023 0.000 1.056 48 A HN 0.395 nan 8.150 nan 0.000 0.499 49 R N 0.006 120.472 120.500 -0.057 0.000 2.522 49 R HA 0.277 4.594 4.340 -0.037 0.000 0.284 49 R C 1.156 177.416 176.300 -0.066 0.000 1.032 49 R CA 1.016 57.039 56.100 -0.127 0.000 1.049 49 R CB -0.582 29.603 30.300 -0.190 0.000 0.956 49 R HN 1.730 nan 8.270 nan 0.000 0.422 50 G N 1.812 110.587 108.800 -0.042 0.000 2.273 50 G HA2 -0.317 3.621 3.960 -0.037 0.000 0.280 50 G HA3 -0.317 3.621 3.960 -0.037 0.000 0.280 50 G C 0.484 175.384 174.900 -0.000 0.000 1.047 50 G CA 0.392 45.489 45.100 -0.004 0.000 0.869 50 G HN 0.746 nan 8.290 nan 0.000 0.502 51 A N 0.152 122.973 122.820 0.001 0.000 2.648 51 A HA 0.614 4.911 4.320 -0.037 0.000 0.269 51 A C 1.718 179.302 177.584 0.001 0.000 1.392 51 A CA 1.051 53.082 52.037 -0.009 0.000 1.019 51 A CB -0.168 18.812 19.000 -0.033 0.000 1.009 51 A HN 1.621 nan 8.150 nan 0.000 0.565 52 G N -0.807 108.001 108.800 0.013 0.000 3.452 52 G HA2 0.234 4.171 3.960 -0.037 0.000 0.258 52 G HA3 0.234 4.171 3.960 -0.037 0.000 0.258 52 G C 0.722 175.626 174.900 0.007 0.000 1.305 52 G CA 0.642 45.752 45.100 0.017 0.000 1.514 52 G HN 0.448 nan 8.290 nan 0.000 0.593 53 S N -0.234 115.465 115.700 -0.001 0.000 2.539 53 S HA 0.167 4.615 4.470 -0.037 0.000 0.221 53 S C 1.301 175.897 174.600 -0.007 0.000 0.987 53 S CA 0.035 58.233 58.200 -0.004 0.000 0.929 53 S CB -0.070 63.126 63.200 -0.007 0.000 0.832 53 S HN 0.476 nan 8.310 nan 0.000 0.492 54 E N -0.021 120.173 120.200 -0.009 0.000 3.049 54 E HA -0.298 4.029 4.350 -0.037 0.000 0.272 54 E C 1.049 177.639 176.600 -0.017 0.000 1.051 54 E CA 0.748 57.140 56.400 -0.013 0.000 0.813 54 E CB -1.662 28.034 29.700 -0.007 0.000 1.409 54 E HN 0.582 nan 8.360 nan 0.000 0.454 55 A N 0.956 123.765 122.820 -0.019 0.000 1.972 55 A HA -0.065 4.232 4.320 -0.037 0.000 0.219 55 A C 0.990 178.559 177.584 -0.024 0.000 1.169 55 A CA 1.307 53.333 52.037 -0.018 0.000 0.635 55 A CB -0.145 18.844 19.000 -0.017 0.000 0.810 55 A HN 0.382 nan 8.150 nan 0.000 0.446 56 E N -0.244 119.933 120.200 -0.037 0.000 2.937 56 E HA -0.182 4.145 4.350 -0.037 0.000 0.152 56 E C -1.051 175.524 176.600 -0.042 0.000 1.769 56 E CA 0.824 57.193 56.400 -0.051 0.000 0.688 56 E CB -1.667 28.009 29.700 -0.041 0.000 1.091 56 E HN 0.403 nan 8.360 nan 0.000 0.362 57 D N 3.551 123.920 120.400 -0.052 0.000 2.485 57 D HA 0.195 4.813 4.640 -0.037 0.000 0.229 57 D C -0.567 175.707 176.300 -0.044 0.000 1.101 57 D CA -0.572 53.408 54.000 -0.033 0.000 0.906 57 D CB 0.321 41.105 40.800 -0.027 0.000 1.019 57 D HN 0.194 nan 8.370 nan 0.000 0.516 58 R N 3.281 123.770 120.500 -0.019 0.000 2.345 58 R HA 0.239 4.557 4.340 -0.037 0.000 0.331 58 R C 0.213 176.559 176.300 0.077 0.000 1.067 58 R CA 0.007 56.102 56.100 -0.007 0.000 0.962 58 R CB 0.194 30.538 30.300 0.073 0.000 0.987 58 R HN 0.357 nan 8.270 nan 0.000 0.451 59 R N 2.246 122.738 120.500 -0.014 0.000 2.664 59 R HA 0.492 4.810 4.340 -0.037 0.000 0.286 59 R C -0.658 175.641 176.300 -0.001 0.000 0.967 59 R CA -0.609 55.532 56.100 0.068 0.000 0.933 59 R CB 1.395 31.701 30.300 0.009 0.000 1.146 59 R HN 0.214 nan 8.270 nan 0.000 0.468 60 F N 0.600 120.531 119.950 -0.032 0.000 2.551 60 F HA 0.464 4.968 4.527 -0.038 0.000 0.316 60 F C 0.310 176.099 175.800 -0.017 0.000 1.089 60 F CA -0.794 57.181 58.000 -0.042 0.000 0.915 60 F CB 1.829 40.793 39.000 -0.061 0.000 1.186 60 F HN 0.174 nan 8.300 nan 0.000 0.456 61 R N 2.278 122.859 120.500 0.135 0.000 2.460 61 R HA 0.854 5.171 4.340 -0.037 0.000 0.303 61 R C -1.897 174.453 176.300 0.084 0.000 0.968 61 R CA -0.488 55.689 56.100 0.129 0.000 0.889 61 R CB 1.471 31.851 30.300 0.133 0.000 1.123 61 R HN 0.567 nan 8.270 nan 0.000 0.455 62 V N 4.630 124.621 119.914 0.128 0.000 2.760 62 V HA 0.481 4.579 4.120 -0.037 0.000 0.309 62 V C -1.163 175.143 176.094 0.353 0.000 1.077 62 V CA -0.852 61.512 62.300 0.108 0.000 0.910 62 V CB 1.984 33.858 31.823 0.085 0.000 1.008 62 V HN 0.567 nan 8.190 nan 0.000 0.424 63 F N 4.067 124.172 119.950 0.258 0.000 2.388 63 F HA 0.631 5.136 4.527 -0.038 0.000 0.358 63 F C 0.118 176.008 175.800 0.150 0.000 1.122 63 F CA -1.700 56.447 58.000 0.244 0.000 1.056 63 F CB 1.339 40.531 39.000 0.320 0.000 1.155 63 F HN 0.219 nan 8.300 nan 0.000 0.461 64 I N 4.080 124.823 120.570 0.289 0.000 2.330 64 I HA 0.210 4.357 4.170 -0.037 0.000 0.289 64 I C -0.234 175.967 176.117 0.141 0.000 1.001 64 I CA -0.709 60.692 61.300 0.167 0.000 1.193 64 I CB 1.339 39.401 38.000 0.104 0.000 1.345 64 I HN 0.515 nan 8.210 nan 0.000 0.461 65 H N 6.021 125.106 119.070 0.025 0.000 2.488 65 H HA 0.355 4.889 4.556 -0.037 0.000 0.347 65 H C -1.143 174.173 175.328 -0.021 0.000 1.174 65 H CA -0.399 55.640 56.048 -0.015 0.000 1.307 65 H CB 1.473 31.218 29.762 -0.028 0.000 1.517 65 H HN 0.522 nan 8.280 nan 0.000 0.554 66 D N 4.008 123.939 120.400 -0.781 0.000 2.505 66 D HA 0.085 4.702 4.640 -0.037 0.000 0.250 66 D C 1.060 176.911 176.300 -0.749 0.000 1.164 66 D CA -0.454 53.214 54.000 -0.552 0.000 0.870 66 D CB 1.421 42.066 40.800 -0.258 0.000 1.160 66 D HN 0.491 nan 8.370 nan 0.000 0.549 67 V N 2.200 121.819 119.914 -0.492 0.000 3.078 67 V HA -0.105 3.993 4.120 -0.037 0.000 0.265 67 V C 1.774 177.799 176.094 -0.114 0.000 1.122 67 V CA 1.818 63.983 62.300 -0.224 0.000 1.141 67 V CB -0.748 31.043 31.823 -0.053 0.000 0.735 67 V HN 0.498 nan 8.190 nan 0.000 0.498 68 S N 0.001 115.628 115.700 -0.121 0.000 2.603 68 S HA 0.395 4.843 4.470 -0.037 0.000 0.220 68 S C 1.711 176.271 174.600 -0.065 0.000 0.967 68 S CA 0.859 59.018 58.200 -0.068 0.000 0.920 68 S CB 0.106 63.273 63.200 -0.055 0.000 0.773 68 S HN 1.788 nan 8.310 nan 0.000 0.529 69 G N 0.325 109.070 108.800 -0.092 0.000 2.179 69 G HA2 -0.053 3.885 3.960 -0.037 0.000 0.220 69 G HA3 -0.053 3.885 3.960 -0.037 0.000 0.220 69 G C 0.292 175.153 174.900 -0.066 0.000 0.990 69 G CA -0.110 44.954 45.100 -0.060 0.000 0.646 69 G HN 1.219 nan 8.290 nan 0.000 0.517 70 A N 0.560 123.329 122.820 -0.086 0.000 2.406 70 A HA 0.649 4.946 4.320 -0.037 0.000 0.243 70 A C 0.963 178.502 177.584 -0.075 0.000 1.082 70 A CA -0.060 51.934 52.037 -0.072 0.000 0.786 70 A CB 0.248 19.207 19.000 -0.068 0.000 1.029 70 A HN 0.478 nan 8.150 nan 0.000 0.495 71 R N 1.346 121.808 120.500 -0.063 0.000 2.585 71 R HA 0.131 4.449 4.340 -0.037 0.000 0.275 71 R C -2.202 174.058 176.300 -0.067 0.000 1.018 71 R CA -0.715 55.345 56.100 -0.067 0.000 1.072 71 R CB -0.143 30.118 30.300 -0.065 0.000 0.953 71 R HN 0.595 nan 8.270 nan 0.000 0.419 72 P HA 0.114 nan 4.420 nan 0.000 0.276 72 P C -1.030 176.229 177.300 -0.068 0.000 1.261 72 P CA -0.368 62.700 63.100 -0.055 0.000 0.800 72 P CB 0.953 32.615 31.700 -0.063 0.000 1.066 73 Q N -0.870 118.920 119.800 -0.016 0.000 2.421 73 Q HA 0.395 4.713 4.340 -0.037 0.000 0.280 73 Q C -0.928 175.136 176.000 0.106 0.000 1.085 73 Q CA -0.702 55.109 55.803 0.014 0.000 0.807 73 Q CB 2.540 31.299 28.738 0.035 0.000 1.405 73 Q HN 0.432 nan 8.270 nan 0.000 0.419 74 E N 1.673 121.954 120.200 0.136 0.000 2.113 74 E HA 0.455 4.782 4.350 -0.037 0.000 0.273 74 E C -1.456 175.281 176.600 0.229 0.000 0.924 74 E CA -0.506 56.078 56.400 0.307 0.000 0.764 74 E CB 1.162 31.065 29.700 0.338 0.000 1.104 74 E HN 0.322 nan 8.360 nan 0.000 0.406 75 V N 3.705 123.763 119.914 0.239 0.000 2.604 75 V HA 0.385 4.483 4.120 -0.037 0.000 0.305 75 V C -0.226 175.959 176.094 0.153 0.000 1.043 75 V CA -0.726 61.668 62.300 0.156 0.000 0.888 75 V CB 2.133 34.027 31.823 0.118 0.000 0.995 75 V HN 0.712 nan 8.190 nan 0.000 0.429 76 T N 4.179 118.803 114.554 0.118 0.000 2.786 76 T HA 0.610 4.937 4.350 -0.037 0.000 0.283 76 T C -0.367 174.385 174.700 0.087 0.000 0.992 76 T CA -0.385 61.779 62.100 0.107 0.000 0.954 76 T CB 1.425 70.346 68.868 0.088 0.000 0.934 76 T HN 0.760 nan 8.240 nan 0.000 0.440 77 V N 0.953 120.928 119.914 0.101 0.000 2.919 77 V HA 0.928 5.026 4.120 -0.037 0.000 0.316 77 V C -0.198 175.956 176.094 0.101 0.000 1.077 77 V CA -0.879 61.468 62.300 0.079 0.000 0.977 77 V CB 2.153 34.005 31.823 0.048 0.000 1.039 77 V HN 0.752 nan 8.190 nan 0.000 0.441 78 S N 2.080 117.821 115.700 0.068 0.000 2.498 78 S HA 0.410 4.857 4.470 -0.037 0.000 0.324 78 S C 0.637 175.269 174.600 0.054 0.000 1.071 78 S CA -0.064 58.179 58.200 0.071 0.000 1.113 78 S CB 1.011 64.235 63.200 0.040 0.000 0.976 78 S HN 1.947 nan 8.310 nan 0.000 0.462 79 V N 3.582 123.546 119.914 0.083 0.000 3.041 79 V HA 0.051 4.149 4.120 -0.037 0.000 0.260 79 V C 1.819 177.924 176.094 0.019 0.000 1.105 79 V CA 1.744 64.055 62.300 0.018 0.000 1.125 79 V CB -1.440 30.369 31.823 -0.024 0.000 0.730 79 V HN 0.773 nan 8.190 nan 0.000 0.479 80 T N 1.881 116.456 114.554 0.035 0.000 2.770 80 T HA -0.053 4.275 4.350 -0.037 0.000 0.263 80 T C 1.709 176.414 174.700 0.008 0.000 1.039 80 T CA 2.030 64.141 62.100 0.018 0.000 1.142 80 T CB -0.373 68.504 68.868 0.015 0.000 0.868 80 T HN 0.560 nan 8.240 nan 0.000 0.435 81 N N 0.441 119.147 118.700 0.010 0.000 2.422 81 N HA 0.140 4.858 4.740 -0.037 0.000 0.181 81 N C 1.337 176.848 175.510 0.002 0.000 1.080 81 N CA 0.693 53.745 53.050 0.005 0.000 0.893 81 N CB -0.050 38.441 38.487 0.007 0.000 0.973 81 N HN 0.515 nan 8.380 nan 0.000 0.456 82 G N 1.161 109.961 108.800 -0.000 0.000 2.246 82 G HA2 -0.268 3.670 3.960 -0.037 0.000 0.273 82 G HA3 -0.268 3.670 3.960 -0.037 0.000 0.273 82 G C 0.158 175.056 174.900 -0.004 0.000 1.055 82 G CA 1.009 46.104 45.100 -0.008 0.000 0.851 82 G HN 0.564 nan 8.290 nan 0.000 0.500 83 T N -3.959 110.597 114.554 0.004 0.000 2.888 83 T HA 0.725 5.052 4.350 -0.037 0.000 0.288 83 T C -0.354 174.355 174.700 0.015 0.000 1.063 83 T CA -0.560 61.544 62.100 0.008 0.000 1.010 83 T CB 2.724 71.598 68.868 0.009 0.000 1.214 83 T HN 0.771 nan 8.240 nan 0.000 0.533 84 V N 2.180 122.104 119.914 0.017 0.000 2.333 84 V HA 0.328 4.425 4.120 -0.037 0.000 0.274 84 V C 1.012 177.123 176.094 0.027 0.000 1.028 84 V CA -0.489 61.826 62.300 0.025 0.000 0.851 84 V CB 0.463 32.300 31.823 0.023 0.000 1.000 84 V HN 0.867 nan 8.190 nan 0.000 0.456 85 I N 2.936 123.527 120.570 0.035 0.000 2.480 85 I HA 0.041 4.189 4.170 -0.037 0.000 0.251 85 I C 1.095 177.233 176.117 0.034 0.000 1.124 85 I CA 1.131 62.450 61.300 0.032 0.000 1.444 85 I CB 0.303 38.324 38.000 0.034 0.000 1.098 85 I HN 0.622 nan 8.210 nan 0.000 0.428 86 S N -0.395 115.332 115.700 0.045 0.000 2.547 86 S HA 0.804 5.251 4.470 -0.037 0.000 0.270 86 S C -1.692 172.943 174.600 0.059 0.000 1.150 86 S CA -0.356 57.873 58.200 0.048 0.000 0.850 86 S CB 1.737 64.969 63.200 0.054 0.000 1.118 86 S HN 0.127 nan 8.310 nan 0.000 0.461 87 A N 2.765 125.617 122.820 0.053 0.000 2.550 87 A HA 0.633 4.931 4.320 -0.037 0.000 0.282 87 A C -1.540 176.070 177.584 0.044 0.000 1.071 87 A CA -0.393 51.678 52.037 0.056 0.000 0.838 87 A CB 0.794 19.820 19.000 0.043 0.000 1.361 87 A HN 0.823 nan 8.150 nan 0.000 0.408 88 V N 2.134 122.079 119.914 0.051 0.000 2.555 88 V HA 0.407 4.504 4.120 -0.037 0.000 0.302 88 V C 0.212 176.309 176.094 0.005 0.000 1.038 88 V CA -0.666 61.651 62.300 0.028 0.000 0.887 88 V CB 1.852 33.697 31.823 0.037 0.000 0.991 88 V HN 0.894 nan 8.190 nan 0.000 0.434 89 E N 3.330 123.520 120.200 -0.017 0.000 2.331 89 E HA 0.459 4.787 4.350 -0.037 0.000 0.272 89 E C -1.145 175.406 176.600 -0.081 0.000 1.036 89 E CA -0.346 56.026 56.400 -0.045 0.000 0.864 89 E CB 1.420 31.096 29.700 -0.041 0.000 1.035 89 E HN 0.440 nan 8.360 nan 0.000 0.408 90 L N 2.271 123.412 121.223 -0.137 0.000 2.309 90 L HA 0.260 4.578 4.340 -0.037 0.000 0.282 90 L C 0.131 176.889 176.870 -0.187 0.000 1.036 90 L CA -0.691 54.019 54.840 -0.216 0.000 0.806 90 L CB 1.120 42.926 42.059 -0.421 0.000 1.220 90 L HN 0.397 nan 8.230 nan 0.000 0.429 91 D N 1.150 121.450 120.400 -0.168 0.000 2.499 91 D HA 0.060 4.678 4.640 -0.037 0.000 0.225 91 D C 1.321 177.521 176.300 -0.166 0.000 1.124 91 D CA -0.245 53.674 54.000 -0.134 0.000 0.938 91 D CB 1.159 41.903 40.800 -0.094 0.000 1.014 91 D HN 0.692 nan 8.370 nan 0.000 0.517 92 T N 0.592 115.032 114.554 -0.190 0.000 2.778 92 T HA -0.203 4.125 4.350 -0.037 0.000 0.269 92 T C 1.823 176.429 174.700 -0.156 0.000 1.050 92 T CA 1.149 63.126 62.100 -0.204 0.000 1.137 92 T CB -0.120 68.635 68.868 -0.188 0.000 0.860 92 T HN 0.249 nan 8.240 nan 0.000 0.468 93 A N 1.113 123.856 122.820 -0.129 0.000 2.067 93 A HA 0.477 4.774 4.320 -0.037 0.000 0.219 93 A C 2.627 180.125 177.584 -0.143 0.000 1.158 93 A CA 1.541 53.504 52.037 -0.124 0.000 0.661 93 A CB -0.958 17.985 19.000 -0.095 0.000 0.801 93 A HN 0.784 nan 8.150 nan 0.000 0.452 94 A N -0.929 121.816 122.820 -0.126 0.000 1.920 94 A HA 0.136 4.434 4.320 -0.037 0.000 0.209 94 A C 2.131 179.662 177.584 -0.088 0.000 1.229 94 A CA 1.709 53.680 52.037 -0.110 0.000 0.671 94 A CB -0.616 18.342 19.000 -0.071 0.000 0.886 94 A HN 0.653 nan 8.150 nan 0.000 0.461 95 T N -3.301 111.219 114.554 -0.056 0.000 3.069 95 T HA 0.476 4.803 4.350 -0.037 0.000 0.252 95 T C 0.849 175.650 174.700 0.168 0.000 1.053 95 T CA 0.794 62.938 62.100 0.075 0.000 0.964 95 T CB -0.140 68.741 68.868 0.022 0.000 1.005 95 T HN 1.890 nan 8.240 nan 0.000 0.532 96 G N 1.186 109.989 108.800 0.005 0.000 2.663 96 G HA2 0.003 3.940 3.960 -0.037 0.000 0.686 96 G HA3 0.003 3.940 3.960 -0.037 0.000 0.686 96 G C -1.009 173.815 174.900 -0.127 0.000 1.246 96 G CA -1.065 44.047 45.100 0.020 0.000 0.795 96 G HN 0.290 nan 8.290 nan 0.000 0.627 97 E N -0.286 119.853 120.200 -0.101 0.000 2.345 97 E HA 0.539 4.867 4.350 -0.037 0.000 0.259 97 E C 0.736 177.275 176.600 -0.101 0.000 1.117 97 E CA -0.670 55.644 56.400 -0.144 0.000 0.913 97 E CB 1.174 30.800 29.700 -0.122 0.000 1.057 97 E HN 0.382 nan 8.360 nan 0.000 0.432 98 L N 2.103 123.247 121.223 -0.132 0.000 2.472 98 L HA 0.190 4.508 4.340 -0.037 0.000 0.260 98 L C -2.044 174.812 176.870 -0.024 0.000 1.209 98 L CA -1.336 53.492 54.840 -0.020 0.000 0.817 98 L CB -0.605 41.438 42.059 -0.026 0.000 1.106 98 L HN 0.273 nan 8.230 nan 0.000 0.479 99 P HA 0.010 nan 4.420 nan 0.000 0.267 99 P C -0.970 176.269 177.300 -0.102 0.000 1.200 99 P CA -0.260 62.840 63.100 -0.000 0.000 0.772 99 P CB 0.325 32.084 31.700 0.099 0.000 0.855 100 V N 4.237 124.047 119.914 -0.174 0.000 2.599 100 V HA -0.040 4.057 4.120 -0.037 0.000 0.300 100 V C 0.783 176.688 176.094 -0.316 0.000 1.034 100 V CA 0.242 62.356 62.300 -0.310 0.000 1.115 100 V CB -0.466 31.127 31.823 -0.383 0.000 0.934 100 V HN 0.329 nan 8.190 nan 0.000 0.485 101 L N 3.623 124.607 121.223 -0.398 0.000 2.371 101 L HA 0.269 4.586 4.340 -0.037 0.000 0.272 101 L C 1.657 178.272 176.870 -0.425 0.000 1.124 101 L CA -0.052 54.618 54.840 -0.283 0.000 0.816 101 L CB 0.752 42.684 42.059 -0.212 0.000 1.129 101 L HN 0.763 nan 8.230 nan 0.000 0.448 102 E N 2.128 122.277 120.200 -0.085 0.000 2.160 102 E HA -0.254 4.074 4.350 -0.037 0.000 0.195 102 E C 1.542 178.194 176.600 0.087 0.000 0.991 102 E CA 1.792 58.303 56.400 0.185 0.000 0.810 102 E CB 0.273 30.195 29.700 0.371 0.000 0.742 102 E HN 0.808 nan 8.360 nan 0.000 0.466 103 E N 0.005 120.198 120.200 -0.011 0.000 2.274 103 E HA -0.169 4.159 4.350 -0.037 0.000 0.194 103 E C 1.442 178.027 176.600 -0.025 0.000 0.996 103 E CA 0.904 57.315 56.400 0.020 0.000 0.840 103 E CB -0.078 29.631 29.700 0.015 0.000 0.772 103 E HN 0.327 nan 8.360 nan 0.000 0.491 104 E N -0.208 119.889 120.200 -0.172 0.000 2.435 104 E HA -0.030 4.297 4.350 -0.037 0.000 0.195 104 E C 1.129 177.678 176.600 -0.085 0.000 1.029 104 E CA 0.195 56.494 56.400 -0.168 0.000 0.865 104 E CB -0.027 29.506 29.700 -0.279 0.000 0.833 104 E HN 0.264 nan 8.360 nan 0.000 0.510 105 F N 1.846 121.835 119.950 0.065 0.000 2.234 105 F HA -0.088 4.416 4.527 -0.037 0.000 0.299 105 F C 1.965 177.801 175.800 0.060 0.000 1.087 105 F CA 0.951 58.997 58.000 0.076 0.000 1.340 105 F CB -0.397 38.668 39.000 0.108 0.000 1.031 105 F HN 0.021 nan 8.300 nan 0.000 0.500 106 E N -0.099 120.238 120.200 0.228 0.000 2.072 106 E HA -0.140 4.187 4.350 -0.037 0.000 0.191 106 E C 2.354 179.007 176.600 0.089 0.000 0.985 106 E CA 1.371 57.857 56.400 0.143 0.000 0.801 106 E CB -0.594 29.176 29.700 0.117 0.000 0.750 106 E HN 0.141 nan 8.360 nan 0.000 0.452 107 V N 1.692 121.645 119.914 0.066 0.000 2.277 107 V HA -0.327 3.770 4.120 -0.037 0.000 0.253 107 V C 2.426 178.521 176.094 0.001 0.000 1.067 107 V CA 1.842 64.157 62.300 0.026 0.000 1.047 107 V CB -0.695 31.134 31.823 0.010 0.000 0.649 107 V HN 0.150 nan 8.190 nan 0.000 0.447 108 V N -0.349 119.575 119.914 0.017 0.000 2.252 108 V HA -0.360 3.737 4.120 -0.037 0.000 0.249 108 V C 2.425 178.455 176.094 -0.108 0.000 1.056 108 V CA 2.569 64.846 62.300 -0.039 0.000 1.022 108 V CB -0.696 31.135 31.823 0.012 0.000 0.641 108 V HN 0.674 nan 8.190 nan 0.000 0.445 109 E N -0.348 119.825 120.200 -0.044 0.000 2.051 109 E HA -0.281 4.046 4.350 -0.037 0.000 0.192 109 E C 2.325 178.888 176.600 -0.062 0.000 0.991 109 E CA 1.602 57.969 56.400 -0.054 0.000 0.799 109 E CB -0.093 29.624 29.700 0.030 0.000 0.748 109 E HN 0.699 nan 8.360 nan 0.000 0.449 110 Q N 0.196 119.981 119.800 -0.025 0.000 2.061 110 Q HA -0.179 4.139 4.340 -0.037 0.000 0.204 110 Q C 2.445 178.419 176.000 -0.043 0.000 0.984 110 Q CA 1.592 57.387 55.803 -0.014 0.000 0.846 110 Q CB -0.113 28.629 28.738 0.007 0.000 0.902 110 Q HN 0.361 nan 8.270 nan 0.000 0.421 111 L N 0.177 121.356 121.223 -0.073 0.000 2.056 111 L HA -0.195 4.122 4.340 -0.037 0.000 0.207 111 L C 2.329 179.113 176.870 -0.142 0.000 1.078 111 L CA 0.919 55.706 54.840 -0.089 0.000 0.749 111 L CB -0.426 41.576 42.059 -0.094 0.000 0.901 111 L HN 0.277 nan 8.230 nan 0.000 0.433 112 L N -0.239 120.816 121.223 -0.280 0.000 2.131 112 L HA -0.187 4.130 4.340 -0.037 0.000 0.210 112 L C 2.824 179.562 176.870 -0.220 0.000 1.092 112 L CA 0.957 55.491 54.840 -0.509 0.000 0.759 112 L CB -0.698 40.607 42.059 -1.256 0.000 0.903 112 L HN 0.249 nan 8.230 nan 0.000 0.435 113 A N -0.190 122.589 122.820 -0.068 0.000 2.076 113 A HA -0.198 4.100 4.320 -0.037 0.000 0.220 113 A C 2.136 179.779 177.584 0.099 0.000 1.160 113 A CA 2.164 54.259 52.037 0.096 0.000 0.653 113 A CB -0.703 18.338 19.000 0.069 0.000 0.801 113 A HN 0.531 nan 8.150 nan 0.000 0.455 114 T N -3.605 110.978 114.554 0.048 0.000 3.085 114 T HA 0.168 4.495 4.350 -0.037 0.000 0.264 114 T C 0.136 174.866 174.700 0.051 0.000 1.019 114 T CA 0.033 62.161 62.100 0.048 0.000 0.910 114 T CB -0.077 68.806 68.868 0.025 0.000 1.059 114 T HN 0.342 nan 8.240 nan 0.000 0.542 115 D N 1.578 122.017 120.400 0.065 0.000 2.277 115 D HA 0.126 4.743 4.640 -0.037 0.000 0.249 115 D C 0.639 177.012 176.300 0.121 0.000 1.134 115 D CA -0.076 53.967 54.000 0.071 0.000 0.863 115 D CB 1.455 42.283 40.800 0.047 0.000 1.143 115 D HN 0.304 nan 8.370 nan 0.000 0.458 116 E N 2.739 122.986 120.200 0.077 0.000 2.110 116 E HA -0.197 4.131 4.350 -0.037 0.000 0.193 116 E C 1.901 178.547 176.600 0.077 0.000 0.988 116 E CA 1.056 57.496 56.400 0.067 0.000 0.804 116 E CB 0.298 30.021 29.700 0.038 0.000 0.745 116 E HN 0.455 nan 8.360 nan 0.000 0.458 117 R N 0.064 120.617 120.500 0.088 0.000 2.081 117 R HA -0.123 4.195 4.340 -0.037 0.000 0.235 117 R C 2.203 178.585 176.300 0.136 0.000 1.131 117 R CA 1.366 57.517 56.100 0.085 0.000 0.960 117 R CB -0.341 30.005 30.300 0.076 0.000 0.856 117 R HN 0.398 nan 8.270 nan 0.000 0.436 118 W N 1.434 122.717 121.300 -0.028 0.000 2.379 118 W HA -0.143 4.511 4.660 -0.010 0.000 0.307 118 W C 1.500 178.009 176.519 -0.016 0.000 1.200 118 W CA 1.235 58.566 57.345 -0.023 0.000 1.297 118 W CB -0.122 29.327 29.460 -0.018 0.000 1.140 118 W HN 0.086 nan 8.180 nan 0.000 0.507 119 L N 0.721 122.036 121.223 0.154 0.000 2.131 119 L HA -0.242 4.076 4.340 -0.037 0.000 0.210 119 L C 2.572 179.417 176.870 -0.041 0.000 1.092 119 L CA 1.553 56.415 54.840 0.037 0.000 0.759 119 L CB -0.855 41.250 42.059 0.076 0.000 0.903 119 L HN -0.082 nan 8.230 nan 0.000 0.435 120 K N 0.339 120.725 120.400 -0.024 0.000 2.057 120 K HA -0.151 4.147 4.320 -0.037 0.000 0.206 120 K C 2.174 178.719 176.600 -0.092 0.000 1.050 120 K CA 1.206 57.467 56.287 -0.043 0.000 0.935 120 K CB -0.052 32.437 32.500 -0.019 0.000 0.715 120 K HN 0.254 nan 8.250 nan 0.000 0.439 121 A N 1.180 123.914 122.820 -0.144 0.000 1.898 121 A HA -0.098 4.200 4.320 -0.037 0.000 0.216 121 A C 2.062 179.490 177.584 -0.260 0.000 1.181 121 A CA 1.169 53.080 52.037 -0.211 0.000 0.620 121 A CB -0.536 18.285 19.000 -0.297 0.000 0.819 121 A HN 0.298 nan 8.150 nan 0.000 0.442 122 L N -0.957 120.070 121.223 -0.328 0.000 2.109 122 L HA -0.135 4.183 4.340 -0.037 0.000 0.207 122 L C 3.062 179.840 176.870 -0.154 0.000 1.086 122 L CA 0.922 55.595 54.840 -0.279 0.000 0.760 122 L CB -0.609 41.273 42.059 -0.295 0.000 0.910 122 L HN 0.438 nan 8.230 nan 0.000 0.437 123 A N 0.343 123.094 122.820 -0.116 0.000 1.902 123 A HA -0.135 4.162 4.320 -0.037 0.000 0.217 123 A C 2.535 180.077 177.584 -0.069 0.000 1.181 123 A CA 1.591 53.584 52.037 -0.073 0.000 0.623 123 A CB -0.605 18.364 19.000 -0.051 0.000 0.818 123 A HN 0.379 nan 8.150 nan 0.000 0.443 124 A N -0.347 122.426 122.820 -0.079 0.000 2.019 124 A HA -0.131 4.167 4.320 -0.037 0.000 0.219 124 A C 2.115 179.658 177.584 -0.068 0.000 1.164 124 A CA 1.483 53.479 52.037 -0.068 0.000 0.644 124 A CB -0.336 18.622 19.000 -0.070 0.000 0.805 124 A HN 0.551 nan 8.150 nan 0.000 0.449 125 R N -0.802 119.647 120.500 -0.085 0.000 2.334 125 R HA 0.098 4.416 4.340 -0.037 0.000 0.216 125 R C -0.273 175.987 176.300 -0.067 0.000 0.905 125 R CA 0.199 56.252 56.100 -0.077 0.000 1.064 125 R CB 0.142 30.382 30.300 -0.100 0.000 1.046 125 R HN 0.472 nan 8.270 nan 0.000 0.508 126 N N 0.926 119.588 118.700 -0.063 0.000 2.735 126 N HA -0.184 4.533 4.740 -0.037 0.000 0.248 126 N C -1.039 174.440 175.510 -0.053 0.000 1.083 126 N CA 0.968 53.988 53.050 -0.050 0.000 0.703 126 N CB -1.360 37.105 38.487 -0.038 0.000 1.005 126 N HN 0.278 nan 8.380 nan 0.000 0.550 127 L N 0.368 121.550 121.223 -0.069 0.000 2.296 127 L HA 0.302 4.620 4.340 -0.037 0.000 0.286 127 L C 0.664 177.504 176.870 -0.050 0.000 1.023 127 L CA -0.867 53.933 54.840 -0.067 0.000 0.812 127 L CB 1.401 43.403 42.059 -0.096 0.000 1.223 127 L HN -0.083 nan 8.230 nan 0.000 0.421 128 D N 2.431 122.814 120.400 -0.029 0.000 2.358 128 D HA -0.025 4.592 4.640 -0.037 0.000 0.258 128 D C 0.899 177.203 176.300 0.007 0.000 1.223 128 D CA 0.162 54.157 54.000 -0.008 0.000 0.886 128 D CB 1.699 42.499 40.800 -0.000 0.000 1.120 128 D HN 0.300 nan 8.370 nan 0.000 0.482 129 V N 3.988 123.915 119.914 0.022 0.000 2.453 129 V HA -0.278 3.819 4.120 -0.037 0.000 0.252 129 V C 2.062 178.204 176.094 0.080 0.000 1.068 129 V CA 2.913 65.254 62.300 0.068 0.000 1.070 129 V CB -0.510 31.372 31.823 0.099 0.000 0.664 129 V HN 0.743 nan 8.190 nan 0.000 0.461 130 S N -1.461 114.272 115.700 0.055 0.000 2.515 130 S HA -0.066 4.381 4.470 -0.037 0.000 0.231 130 S C 1.671 176.298 174.600 0.044 0.000 0.987 130 S CA 0.972 59.203 58.200 0.051 0.000 0.936 130 S CB -0.315 62.909 63.200 0.040 0.000 0.766 130 S HN 0.740 nan 8.310 nan 0.000 0.528 131 K N 0.626 121.048 120.400 0.036 0.000 2.358 131 K HA 0.294 4.591 4.320 -0.037 0.000 0.200 131 K C -0.728 175.888 176.600 0.026 0.000 1.030 131 K CA -0.040 56.260 56.287 0.021 0.000 1.097 131 K CB 1.023 33.526 32.500 0.005 0.000 0.862 131 K HN 0.211 nan 8.250 nan 0.000 0.534 132 V N 3.610 123.559 119.914 0.059 0.000 2.334 132 V HA 0.198 4.295 4.120 -0.037 0.000 0.267 132 V C 0.156 176.329 176.094 0.131 0.000 1.040 132 V CA -0.741 61.614 62.300 0.092 0.000 0.866 132 V CB 0.651 32.545 31.823 0.118 0.000 1.019 132 V HN 0.152 nan 8.190 nan 0.000 0.468 133 R N 3.312 123.870 120.500 0.097 0.000 2.490 133 R HA 0.567 4.884 4.340 -0.037 0.000 0.278 133 R C -0.706 175.699 176.300 0.176 0.000 1.069 133 R CA -0.421 55.729 56.100 0.083 0.000 1.080 133 R CB 1.699 31.981 30.300 -0.030 0.000 1.030 133 R HN 0.435 nan 8.270 nan 0.000 0.491 134 V N 1.935 121.948 119.914 0.165 0.000 2.444 134 V HA 0.364 4.462 4.120 -0.037 0.000 0.294 134 V C -0.005 176.216 176.094 0.212 0.000 1.022 134 V CA -1.128 61.306 62.300 0.224 0.000 0.850 134 V CB 1.708 33.610 31.823 0.132 0.000 0.992 134 V HN 0.852 nan 8.190 nan 0.000 0.426 135 A N 7.862 130.884 122.820 0.336 0.000 2.350 135 A HA 0.595 4.892 4.320 -0.037 0.000 0.293 135 A C -2.171 175.588 177.584 0.291 0.000 1.231 135 A CA -1.259 50.975 52.037 0.329 0.000 0.883 135 A CB 0.056 19.411 19.000 0.593 0.000 1.133 135 A HN 0.584 nan 8.150 nan 0.000 0.533 136 P HA 0.305 nan 4.420 nan 0.000 0.266 136 P C -0.792 176.678 177.300 0.283 0.000 1.586 136 P CA 0.198 63.450 63.100 0.252 0.000 1.088 136 P CB 0.277 32.194 31.700 0.361 0.000 1.584 137 L N 2.099 123.507 121.223 0.309 0.000 2.344 137 L HA 0.423 4.741 4.340 -0.037 0.000 0.272 137 L C 1.227 178.320 176.870 0.371 0.000 1.035 137 L CA -0.956 54.107 54.840 0.372 0.000 0.807 137 L CB 1.228 43.591 42.059 0.508 0.000 1.237 137 L HN 0.262 nan 8.230 nan 0.000 0.442 138 S N 0.554 116.509 115.700 0.425 0.000 2.568 138 S HA 0.202 4.650 4.470 -0.037 0.000 0.282 138 S C 0.795 175.592 174.600 0.328 0.000 1.338 138 S CA -0.078 58.295 58.200 0.288 0.000 1.045 138 S CB 1.367 64.723 63.200 0.261 0.000 0.873 138 S HN 0.741 nan 8.310 nan 0.000 0.516 139 A N 2.809 125.732 122.820 0.172 0.000 2.044 139 A HA 0.575 4.873 4.320 -0.037 0.000 0.213 139 A C 1.545 179.320 177.584 0.318 0.000 1.169 139 A CA 0.615 52.723 52.037 0.118 0.000 0.724 139 A CB -1.462 17.503 19.000 -0.058 0.000 0.840 139 A HN 2.302 nan 8.150 nan 0.000 0.463 140 G N -1.602 107.350 108.800 0.253 0.000 2.645 140 G HA2 -0.064 3.873 3.960 -0.037 0.000 0.246 140 G HA3 -0.064 3.873 3.960 -0.037 0.000 0.246 140 G C -0.382 174.492 174.900 -0.045 0.000 1.322 140 G CA -0.175 45.024 45.100 0.166 0.000 0.898 140 G HN 1.106 nan 8.290 nan 0.000 0.573 141 V N 0.994 120.660 119.914 -0.413 0.000 2.447 141 V HA 0.708 4.805 4.120 -0.037 0.000 0.292 141 V C -0.120 175.528 176.094 -0.745 0.000 1.021 141 V CA -0.348 61.726 62.300 -0.376 0.000 0.850 141 V CB 1.121 32.775 31.823 -0.282 0.000 1.005 141 V HN 0.686 nan 8.190 nan 0.000 0.426 142 F N 1.963 121.888 119.950 -0.042 0.000 3.142 142 F HA 0.432 4.938 4.527 -0.035 0.000 0.166 142 F C 1.619 177.272 175.800 -0.244 0.000 1.598 142 F CA -0.500 57.421 58.000 -0.132 0.000 0.920 142 F CB 0.260 39.177 39.000 -0.139 0.000 1.949 142 F HN 0.445 nan 8.300 nan 0.000 0.306 143 E N 0.446 120.472 120.200 -0.290 0.000 2.463 143 E HA 0.012 4.339 4.350 -0.037 0.000 0.193 143 E C -1.054 175.385 176.600 -0.268 0.000 1.041 143 E CA 0.179 56.404 56.400 -0.291 0.000 0.879 143 E CB -0.749 28.805 29.700 -0.243 0.000 0.997 143 E HN 0.461 nan 8.360 nan 0.000 0.478 144 Y N 1.325 121.673 120.300 0.080 0.000 2.650 144 Y HA 0.464 4.992 4.550 -0.037 0.000 0.343 144 Y C 1.584 177.495 175.900 0.018 0.000 1.078 144 Y CA -0.446 57.686 58.100 0.053 0.000 1.356 144 Y CB 0.672 39.160 38.460 0.046 0.000 1.204 144 Y HN 0.066 nan 8.280 nan 0.000 0.508 145 A N 2.402 125.298 122.820 0.126 0.000 1.948 145 A HA -0.219 4.078 4.320 -0.037 0.000 0.220 145 A C 2.143 179.761 177.584 0.056 0.000 1.177 145 A CA 1.829 53.902 52.037 0.061 0.000 0.636 145 A CB -0.295 18.730 19.000 0.041 0.000 0.815 145 A HN 0.734 nan 8.150 nan 0.000 0.449 146 E N 0.585 120.833 120.200 0.081 0.000 2.472 146 E HA -0.176 4.152 4.350 -0.037 0.000 0.200 146 E C 1.026 177.646 176.600 0.034 0.000 1.046 146 E CA 1.270 57.700 56.400 0.049 0.000 0.871 146 E CB -0.379 29.351 29.700 0.050 0.000 0.806 146 E HN 0.786 nan 8.360 nan 0.000 0.533 147 E N 0.671 120.901 120.200 0.050 0.000 2.400 147 E HA 0.078 4.406 4.350 -0.037 0.000 0.195 147 E C 0.159 176.752 176.600 -0.012 0.000 1.012 147 E CA -0.248 56.164 56.400 0.019 0.000 0.875 147 E CB 0.189 29.915 29.700 0.043 0.000 0.859 147 E HN 0.160 nan 8.360 nan 0.000 0.498 148 R N 0.540 121.030 120.500 -0.016 0.000 2.446 148 R HA 0.114 4.431 4.340 -0.037 0.000 0.314 148 R C 0.847 177.117 176.300 -0.050 0.000 1.003 148 R CA 0.793 56.865 56.100 -0.046 0.000 1.018 148 R CB 0.198 30.470 30.300 -0.047 0.000 0.945 148 R HN 0.297 nan 8.270 nan 0.000 0.419 149 G N 2.256 111.017 108.800 -0.066 0.000 2.213 149 G HA2 -0.230 3.707 3.960 -0.037 0.000 0.236 149 G HA3 -0.230 3.707 3.960 -0.037 0.000 0.236 149 G C -0.013 174.854 174.900 -0.055 0.000 0.991 149 G CA -0.438 44.623 45.100 -0.065 0.000 0.629 149 G HN 0.424 nan 8.290 nan 0.000 0.517 150 R N 0.250 120.722 120.500 -0.048 0.000 2.598 150 R HA 0.622 4.939 4.340 -0.037 0.000 0.279 150 R C 0.189 176.458 176.300 -0.052 0.000 0.984 150 R CA -0.935 55.141 56.100 -0.040 0.000 0.999 150 R CB 0.615 30.896 30.300 -0.031 0.000 1.114 150 R HN 0.296 nan 8.270 nan 0.000 0.493 151 R N 1.999 122.469 120.500 -0.050 0.000 2.235 151 R HA 0.358 4.675 4.340 -0.037 0.000 0.338 151 R C -0.103 176.156 176.300 -0.069 0.000 1.087 151 R CA -0.299 55.756 56.100 -0.075 0.000 0.948 151 R CB 0.459 30.701 30.300 -0.096 0.000 1.099 151 R HN 0.306 nan 8.270 nan 0.000 0.483 152 I N 4.251 124.778 120.570 -0.071 0.000 2.525 152 I HA 0.420 4.567 4.170 -0.037 0.000 0.301 152 I C 0.121 176.197 176.117 -0.068 0.000 0.992 152 I CA -0.812 60.444 61.300 -0.074 0.000 1.162 152 I CB 1.554 39.494 38.000 -0.100 0.000 1.332 152 I HN 0.473 nan 8.210 nan 0.000 0.458 153 L N 5.124 126.313 121.223 -0.057 0.000 2.401 153 L HA 0.525 4.842 4.340 -0.037 0.000 0.266 153 L C -0.265 176.570 176.870 -0.057 0.000 0.991 153 L CA -0.770 54.063 54.840 -0.012 0.000 0.818 153 L CB 2.550 44.640 42.059 0.052 0.000 1.321 153 L HN 0.530 nan 8.230 nan 0.000 0.413 154 R N 1.091 121.532 120.500 -0.098 0.000 2.532 154 R HA 0.684 5.001 4.340 -0.037 0.000 0.295 154 R C -0.215 176.104 176.300 0.031 0.000 0.968 154 R CA -0.724 55.260 56.100 -0.194 0.000 0.916 154 R CB 2.038 31.817 30.300 -0.869 0.000 1.124 154 R HN 0.736 nan 8.270 nan 0.000 0.463 155 G N 2.532 111.385 108.800 0.088 0.000 2.513 155 G HA2 0.588 4.526 3.960 -0.037 0.000 0.317 155 G HA3 0.588 4.526 3.960 -0.037 0.000 0.317 155 G C -0.914 174.186 174.900 0.332 0.000 1.277 155 G CA -0.614 44.597 45.100 0.185 0.000 0.955 155 G HN 0.290 nan 8.290 nan 0.000 0.484 156 L N 1.442 122.931 121.223 0.444 0.000 2.346 156 L HA 0.701 5.018 4.340 -0.037 0.000 0.276 156 L C 0.490 177.555 176.870 0.324 0.000 1.006 156 L CA -1.013 54.083 54.840 0.426 0.000 0.817 156 L CB 2.176 44.586 42.059 0.585 0.000 1.272 156 L HN 0.634 nan 8.230 nan 0.000 0.421 157 A N 3.093 125.978 122.820 0.107 0.000 2.306 157 A HA 0.837 5.135 4.320 -0.037 0.000 0.314 157 A C -1.165 176.143 177.584 -0.460 0.000 1.164 157 A CA -0.150 51.910 52.037 0.038 0.000 0.822 157 A CB 0.429 19.497 19.000 0.113 0.000 1.130 157 A HN 0.514 nan 8.150 nan 0.000 0.496 158 F N 0.871 120.808 119.950 -0.022 0.000 2.574 158 F HA 0.429 4.936 4.527 -0.033 0.000 0.313 158 F C -0.145 175.609 175.800 -0.077 0.000 1.130 158 F CA -0.701 57.237 58.000 -0.104 0.000 0.936 158 F CB 2.292 41.110 39.000 -0.304 0.000 1.219 158 F HN 0.330 nan 8.300 nan 0.000 0.445 159 V N 2.653 122.638 119.914 0.119 0.000 2.498 159 V HA 0.317 4.415 4.120 -0.037 0.000 0.279 159 V C -0.331 175.808 176.094 0.074 0.000 1.048 159 V CA -0.546 61.787 62.300 0.055 0.000 0.967 159 V CB 1.391 33.200 31.823 -0.023 0.000 0.988 159 V HN 0.770 nan 8.190 nan 0.000 0.473 160 Q N 2.553 122.346 119.800 -0.011 0.000 2.381 160 Q HA 0.241 4.559 4.340 -0.037 0.000 0.263 160 Q C -0.038 175.900 176.000 -0.103 0.000 1.030 160 Q CA -0.622 55.135 55.803 -0.077 0.000 0.772 160 Q CB 1.290 29.962 28.738 -0.111 0.000 1.232 160 Q HN 0.782 nan 8.270 nan 0.000 0.476 161 D N 3.282 123.588 120.400 -0.155 0.000 2.218 161 D HA -0.035 4.583 4.640 -0.037 0.000 0.204 161 D C 0.082 176.469 176.300 0.146 0.000 0.976 161 D CA 1.299 55.282 54.000 -0.027 0.000 0.853 161 D CB 0.091 40.932 40.800 0.068 0.000 0.939 161 D HN 0.434 nan 8.370 nan 0.000 0.481 162 F N -4.323 115.627 119.950 0.000 0.000 2.713 162 F HA 0.349 4.850 4.527 -0.044 0.000 0.311 162 F C -2.268 173.529 175.800 -0.005 0.000 1.141 162 F CA -1.920 56.075 58.000 -0.007 0.000 0.939 162 F CB 0.554 39.543 39.000 -0.018 0.000 1.325 162 F HN -0.416 nan 8.300 nan 0.000 0.453 163 P HA -0.215 nan 4.420 nan 0.000 0.216 163 P C 0.493 177.819 177.300 0.045 0.000 1.154 163 P CA 2.003 65.154 63.100 0.086 0.000 0.865 163 P CB 0.219 31.983 31.700 0.106 0.000 0.789 164 E N -0.484 119.811 120.200 0.159 0.000 2.465 164 E HA 0.039 4.366 4.350 -0.037 0.000 0.191 164 E C 0.127 176.645 176.600 -0.137 0.000 1.053 164 E CA -0.065 56.385 56.400 0.083 0.000 0.869 164 E CB -0.198 29.620 29.700 0.197 0.000 0.977 164 E HN 0.311 nan 8.360 nan 0.000 0.483 165 D N 0.720 120.757 120.400 -0.606 0.000 2.345 165 D HA -0.011 4.607 4.640 -0.037 0.000 0.247 165 D C -0.443 175.638 176.300 -0.366 0.000 1.108 165 D CA -0.006 53.473 54.000 -0.868 0.000 0.894 165 D CB 1.038 40.965 40.800 -1.456 0.000 1.203 165 D HN -0.215 nan 8.370 nan 0.000 0.430 166 S N 2.505 118.066 115.700 -0.232 0.000 2.411 166 S HA 0.406 4.854 4.470 -0.037 0.000 0.304 166 S C 1.109 175.634 174.600 -0.125 0.000 1.098 166 S CA -0.215 57.923 58.200 -0.103 0.000 1.068 166 S CB 0.260 63.458 63.200 -0.004 0.000 1.032 166 S HN 0.510 nan 8.310 nan 0.000 0.511 167 A N 5.048 127.696 122.820 -0.287 0.000 2.024 167 A HA -0.050 4.248 4.320 -0.037 0.000 0.220 167 A C 1.449 178.895 177.584 -0.230 0.000 1.164 167 A CA 1.083 52.959 52.037 -0.269 0.000 0.643 167 A CB -0.805 17.938 19.000 -0.428 0.000 0.806 167 A HN 1.000 nan 8.150 nan 0.000 0.451 168 W N -0.170 121.108 121.300 -0.037 0.000 2.387 168 W HA -0.017 4.625 4.660 -0.029 0.000 0.272 168 W C 2.409 179.041 176.519 0.189 0.000 1.224 168 W CA 0.782 58.109 57.345 -0.030 0.000 1.210 168 W CB -0.197 29.242 29.460 -0.035 0.000 1.125 168 W HN 0.371 nan 8.180 nan 0.000 0.572 169 A N -0.563 122.412 122.820 0.258 0.000 2.119 169 A HA -0.078 4.220 4.320 -0.037 0.000 0.217 169 A C 0.609 178.015 177.584 -0.298 0.000 1.153 169 A CA 0.861 52.917 52.037 0.031 0.000 0.692 169 A CB -0.622 18.288 19.000 -0.149 0.000 0.799 169 A HN 0.347 nan 8.150 nan 0.000 0.458 170 H N -0.224 118.962 119.070 0.194 0.000 2.386 170 H HA 0.254 4.801 4.556 -0.015 0.000 0.232 170 H C -2.924 172.425 175.328 0.036 0.000 1.416 170 H CA -2.316 53.787 56.048 0.092 0.000 1.285 170 H CB -0.287 29.507 29.762 0.053 0.000 1.625 170 H HN 0.352 nan 8.280 nan 0.000 0.521 171 P HA 0.014 nan 4.420 nan 0.000 0.271 171 P C 0.324 177.450 177.300 -0.290 0.000 1.218 171 P CA -0.298 62.589 63.100 -0.356 0.000 0.780 171 P CB 1.977 33.516 31.700 -0.268 0.000 0.901 172 V N 3.337 123.007 119.914 -0.407 0.000 2.240 172 V HA 0.136 4.234 4.120 -0.037 0.000 0.265 172 V C 0.685 176.636 176.094 -0.237 0.000 1.073 172 V CA -0.337 61.816 62.300 -0.244 0.000 0.857 172 V CB 0.157 31.844 31.823 -0.227 0.000 1.114 172 V HN 0.529 nan 8.190 nan 0.000 0.469 173 D N 2.963 123.224 120.400 -0.232 0.000 2.360 173 D HA 0.356 4.974 4.640 -0.037 0.000 0.242 173 D C 1.352 177.572 176.300 -0.134 0.000 1.184 173 D CA 1.501 55.292 54.000 -0.348 0.000 0.930 173 D CB 1.607 41.928 40.800 -0.799 0.000 1.161 173 D HN 0.740 nan 8.370 nan 0.000 0.447 174 G N 0.242 108.962 108.800 -0.134 0.000 2.162 174 G HA2 -0.221 3.716 3.960 -0.037 0.000 0.260 174 G HA3 -0.221 3.716 3.960 -0.037 0.000 0.260 174 G C -0.089 174.860 174.900 0.081 0.000 0.976 174 G CA 0.655 45.855 45.100 0.168 0.000 0.655 174 G HN 0.498 nan 8.290 nan 0.000 0.533 175 L N -0.179 121.057 121.223 0.022 0.000 2.436 175 L HA 0.916 5.234 4.340 -0.037 0.000 0.268 175 L C -0.748 176.200 176.870 0.130 0.000 0.974 175 L CA -1.068 53.784 54.840 0.021 0.000 0.826 175 L CB 2.419 44.406 42.059 -0.121 0.000 1.291 175 L HN 0.635 nan 8.230 nan 0.000 0.406 176 V N 3.960 123.985 119.914 0.185 0.000 2.969 176 V HA 0.962 5.059 4.120 -0.037 0.000 0.304 176 V C -1.314 174.856 176.094 0.127 0.000 1.192 176 V CA 0.298 62.749 62.300 0.252 0.000 0.962 176 V CB 2.085 34.096 31.823 0.313 0.000 1.045 176 V HN 1.197 nan 8.190 nan 0.000 0.428 177 A N 5.094 127.983 122.820 0.115 0.000 2.374 177 A HA 0.964 5.262 4.320 -0.037 0.000 0.317 177 A C -1.956 175.618 177.584 -0.017 0.000 1.094 177 A CA -0.462 51.526 52.037 -0.082 0.000 0.765 177 A CB 1.603 20.485 19.000 -0.197 0.000 1.268 177 A HN 0.836 nan 8.150 nan 0.000 0.438 178 Y N 0.397 120.580 120.300 -0.195 0.000 2.352 178 Y HA 0.603 5.131 4.550 -0.036 0.000 0.339 178 Y C -0.173 175.617 175.900 -0.184 0.000 0.992 178 Y CA -1.671 56.287 58.100 -0.237 0.000 1.100 178 Y CB 1.786 40.065 38.460 -0.302 0.000 1.192 178 Y HN 0.350 nan 8.280 nan 0.000 0.458 179 V N 3.114 123.027 119.914 -0.002 0.000 2.577 179 V HA 0.211 4.308 4.120 -0.037 0.000 0.303 179 V C -0.569 175.501 176.094 -0.040 0.000 1.042 179 V CA -1.110 61.164 62.300 -0.043 0.000 0.872 179 V CB 2.136 33.916 31.823 -0.070 0.000 0.998 179 V HN 0.659 nan 8.190 nan 0.000 0.423 180 D N 3.485 123.863 120.400 -0.036 0.000 2.374 180 D HA 0.110 4.728 4.640 -0.037 0.000 0.240 180 D C 1.057 177.339 176.300 -0.029 0.000 1.229 180 D CA -0.099 53.882 54.000 -0.033 0.000 0.895 180 D CB 1.822 42.606 40.800 -0.026 0.000 1.046 180 D HN 0.479 nan 8.370 nan 0.000 0.498 181 V N 2.189 122.083 119.914 -0.034 0.000 3.380 181 V HA -0.053 4.045 4.120 -0.037 0.000 0.268 181 V C 1.634 177.726 176.094 -0.004 0.000 1.168 181 V CA 0.349 62.632 62.300 -0.028 0.000 1.156 181 V CB -0.193 31.599 31.823 -0.051 0.000 0.785 181 V HN 0.348 nan 8.190 nan 0.000 0.487 182 V N 1.560 121.478 119.914 0.006 0.000 2.436 182 V HA -0.062 4.035 4.120 -0.037 0.000 0.240 182 V C 2.782 178.881 176.094 0.009 0.000 1.040 182 V CA 1.909 64.227 62.300 0.030 0.000 1.052 182 V CB 0.043 31.894 31.823 0.047 0.000 0.707 182 V HN 0.720 nan 8.190 nan 0.000 0.469 183 S N -0.703 114.996 115.700 -0.002 0.000 2.522 183 S HA -0.051 4.396 4.470 -0.037 0.000 0.227 183 S C 0.868 175.463 174.600 -0.009 0.000 0.986 183 S CA 0.285 58.481 58.200 -0.007 0.000 0.929 183 S CB -0.393 62.800 63.200 -0.011 0.000 0.769 183 S HN 0.591 nan 8.310 nan 0.000 0.529 184 K N 1.017 121.410 120.400 -0.011 0.000 3.150 184 K HA -0.148 4.150 4.320 -0.037 0.000 0.267 184 K C -0.991 175.595 176.600 -0.024 0.000 1.028 184 K CA 0.844 57.121 56.287 -0.016 0.000 0.753 184 K CB -1.815 30.680 32.500 -0.009 0.000 1.288 184 K HN 0.699 nan 8.250 nan 0.000 0.473 185 E N -0.028 120.156 120.200 -0.028 0.000 2.256 185 E HA 0.396 4.724 4.350 -0.037 0.000 0.267 185 E C -0.448 176.126 176.600 -0.044 0.000 0.892 185 E CA -1.062 55.320 56.400 -0.031 0.000 0.775 185 E CB 2.344 32.030 29.700 -0.023 0.000 1.207 185 E HN -0.052 nan 8.360 nan 0.000 0.420 186 V N 2.682 122.565 119.914 -0.051 0.000 2.353 186 V HA 0.020 4.118 4.120 -0.037 0.000 0.264 186 V C 1.321 177.383 176.094 -0.053 0.000 1.049 186 V CA 0.125 62.383 62.300 -0.069 0.000 0.896 186 V CB 0.581 32.351 31.823 -0.088 0.000 1.025 186 V HN 0.951 nan 8.190 nan 0.000 0.475 187 T N 2.466 116.992 114.554 -0.045 0.000 2.985 187 T HA 0.159 4.487 4.350 -0.037 0.000 0.266 187 T C 0.831 175.485 174.700 -0.077 0.000 1.076 187 T CA 0.428 62.505 62.100 -0.039 0.000 1.135 187 T CB 0.327 69.187 68.868 -0.014 0.000 0.890 187 T HN 0.443 nan 8.240 nan 0.000 0.480 188 R N -0.439 119.977 120.500 -0.140 0.000 2.680 188 R HA 0.618 4.935 4.340 -0.037 0.000 0.269 188 R C -2.055 174.084 176.300 -0.268 0.000 1.026 188 R CA -0.639 55.301 56.100 -0.265 0.000 0.889 188 R CB 2.433 32.409 30.300 -0.540 0.000 1.241 188 R HN 0.085 nan 8.270 nan 0.000 0.463 189 V N 3.692 123.490 119.914 -0.193 0.000 2.538 189 V HA 0.352 4.450 4.120 -0.037 0.000 0.265 189 V C -0.159 175.894 176.094 -0.068 0.000 0.977 189 V CA -0.479 61.782 62.300 -0.065 0.000 0.852 189 V CB 1.238 33.099 31.823 0.065 0.000 1.058 189 V HN 0.542 nan 8.190 nan 0.000 0.462 190 I N 3.212 123.703 120.570 -0.131 0.000 2.371 190 I HA 0.380 4.527 4.170 -0.037 0.000 0.290 190 I C -0.183 175.930 176.117 -0.006 0.000 1.028 190 I CA 0.231 61.484 61.300 -0.078 0.000 1.345 190 I CB 1.032 38.966 38.000 -0.110 0.000 1.407 190 I HN 0.420 nan 8.210 nan 0.000 0.501 191 D N 5.025 125.424 120.400 -0.002 0.000 2.420 191 D HA 0.125 4.743 4.640 -0.037 0.000 0.255 191 D C 0.894 177.209 176.300 0.023 0.000 1.185 191 D CA -0.377 53.626 54.000 0.004 0.000 0.904 191 D CB 1.354 42.139 40.800 -0.025 0.000 1.102 191 D HN 0.633 nan 8.370 nan 0.000 0.534 192 T N 0.148 114.740 114.554 0.062 0.000 3.113 192 T HA 0.428 4.756 4.350 -0.037 0.000 0.256 192 T C 1.011 175.746 174.700 0.058 0.000 1.131 192 T CA 0.367 62.512 62.100 0.075 0.000 1.074 192 T CB 0.256 69.198 68.868 0.122 0.000 0.944 192 T HN 0.548 nan 8.240 nan 0.000 0.516 193 G N -0.046 108.786 108.800 0.053 0.000 2.333 193 G HA2 0.312 4.249 3.960 -0.037 0.000 0.330 193 G HA3 0.312 4.249 3.960 -0.037 0.000 0.330 193 G C -1.352 173.553 174.900 0.008 0.000 1.465 193 G CA -0.742 44.346 45.100 -0.021 0.000 0.996 193 G HN 0.250 nan 8.290 nan 0.000 0.655 194 V N 0.576 120.442 119.914 -0.080 0.000 2.583 194 V HA 0.651 4.749 4.120 -0.037 0.000 0.287 194 V C -0.211 175.805 176.094 -0.130 0.000 1.051 194 V CA 0.208 62.481 62.300 -0.044 0.000 1.010 194 V CB 0.822 32.605 31.823 -0.067 0.000 0.988 194 V HN 0.545 nan 8.190 nan 0.000 0.478 195 F N 4.144 124.057 119.950 -0.063 0.000 2.551 195 F HA 0.550 5.047 4.527 -0.050 0.000 0.316 195 F C -2.072 173.698 175.800 -0.050 0.000 1.089 195 F CA -2.297 55.670 58.000 -0.054 0.000 0.915 195 F CB 1.894 40.860 39.000 -0.058 0.000 1.186 195 F HN 0.339 nan 8.300 nan 0.000 0.456 196 P HA 0.113 nan 4.420 nan 0.000 0.268 196 P C -0.872 176.478 177.300 0.083 0.000 1.204 196 P CA -0.149 62.997 63.100 0.077 0.000 0.768 196 P CB 0.559 32.298 31.700 0.064 0.000 0.842 197 V N 6.562 126.504 119.914 0.046 0.000 2.432 197 V HA 0.159 4.256 4.120 -0.037 0.000 0.271 197 V C -1.849 174.292 176.094 0.078 0.000 1.046 197 V CA -1.522 60.802 62.300 0.041 0.000 0.945 197 V CB 0.470 32.297 31.823 0.008 0.000 0.992 197 V HN 0.578 nan 8.190 nan 0.000 0.471 198 P HA 0.003 nan 4.420 nan 0.000 0.260 198 P C 0.465 177.911 177.300 0.242 0.000 1.172 198 P CA 0.421 63.591 63.100 0.117 0.000 0.760 198 P CB 0.748 32.475 31.700 0.045 0.000 0.773 199 A N 3.885 126.812 122.820 0.178 0.000 1.943 199 A HA -0.031 4.267 4.320 -0.037 0.000 0.213 199 A C 0.765 178.525 177.584 0.293 0.000 1.181 199 A CA 0.602 52.756 52.037 0.196 0.000 0.653 199 A CB -0.429 18.637 19.000 0.109 0.000 0.833 199 A HN 0.565 nan 8.150 nan 0.000 0.451 200 E N 0.672 121.006 120.200 0.224 0.000 2.415 200 E HA 0.247 4.574 4.350 -0.037 0.000 0.262 200 E C -0.289 176.487 176.600 0.293 0.000 1.038 200 E CA -0.016 56.511 56.400 0.211 0.000 0.921 200 E CB 0.295 30.064 29.700 0.116 0.000 0.950 200 E HN 0.782 nan 8.360 nan 0.000 0.438 201 H N -0.836 118.400 119.070 0.277 0.000 2.508 201 H HA 0.470 5.001 4.556 -0.042 0.000 0.358 201 H C 0.425 175.870 175.328 0.194 0.000 1.212 201 H CA -0.790 55.391 56.048 0.221 0.000 1.356 201 H CB 1.045 30.949 29.762 0.236 0.000 1.525 201 H HN 0.507 nan 8.280 nan 0.000 0.578 202 G N 1.468 110.390 108.800 0.204 0.000 4.828 202 G HA2 0.061 3.998 3.960 -0.037 0.000 0.294 202 G HA3 0.061 3.998 3.960 -0.037 0.000 0.294 202 G C -0.705 174.180 174.900 -0.025 0.000 1.288 202 G CA -0.686 44.420 45.100 0.011 0.000 0.987 202 G HN 0.630 nan 8.290 nan 0.000 0.587 203 N N 1.738 120.602 118.700 0.274 0.000 2.555 203 N HA 0.110 4.828 4.740 -0.037 0.000 0.244 203 N C 0.919 176.385 175.510 -0.073 0.000 1.114 203 N CA -0.477 52.559 53.050 -0.023 0.000 0.963 203 N CB 0.598 39.113 38.487 0.047 0.000 1.276 203 N HN 0.562 nan 8.380 nan 0.000 0.510 204 Y N -0.285 120.015 120.300 0.000 0.000 2.651 204 Y HA -0.065 4.463 4.550 -0.036 0.000 0.296 204 Y C 1.706 177.608 175.900 0.002 0.000 1.150 204 Y CA 0.457 58.537 58.100 -0.035 0.000 1.348 204 Y CB -0.766 37.630 38.460 -0.107 0.000 0.983 204 Y HN 0.276 nan 8.280 nan 0.000 0.555 205 T N -3.967 110.565 114.554 -0.035 0.000 3.054 205 T HA 0.072 4.399 4.350 -0.037 0.000 0.255 205 T C 0.031 174.743 174.700 0.021 0.000 1.035 205 T CA -0.207 61.909 62.100 0.026 0.000 0.941 205 T CB -0.159 68.712 68.868 0.004 0.000 1.026 205 T HN 0.197 nan 8.240 nan 0.000 0.533 206 D N 2.602 123.022 120.400 0.034 0.000 2.325 206 D HA 0.267 4.884 4.640 -0.037 0.000 0.251 206 D C -1.715 174.627 176.300 0.071 0.000 1.196 206 D CA -2.509 51.519 54.000 0.047 0.000 0.866 206 D CB 1.887 42.727 40.800 0.068 0.000 1.101 206 D HN -0.023 nan 8.370 nan 0.000 0.476 207 P HA -0.154 nan 4.420 nan 0.000 0.218 207 P C 1.065 178.400 177.300 0.057 0.000 1.146 207 P CA 0.761 63.887 63.100 0.043 0.000 0.813 207 P CB 0.255 31.970 31.700 0.025 0.000 0.778 208 E N -0.521 119.722 120.200 0.073 0.000 2.153 208 E HA -0.184 4.144 4.350 -0.037 0.000 0.194 208 E C 1.594 178.266 176.600 0.119 0.000 0.988 208 E CA 1.048 57.505 56.400 0.095 0.000 0.811 208 E CB -0.340 29.432 29.700 0.120 0.000 0.746 208 E HN 0.149 nan 8.360 nan 0.000 0.466 209 L N 0.498 121.809 121.223 0.146 0.000 2.253 209 L HA -0.003 4.315 4.340 -0.037 0.000 0.205 209 L C 2.524 179.436 176.870 0.071 0.000 1.078 209 L CA 1.968 56.875 54.840 0.113 0.000 0.805 209 L CB -0.532 41.615 42.059 0.148 0.000 0.963 209 L HN 0.184 nan 8.230 nan 0.000 0.459 210 T N -2.615 111.983 114.554 0.072 0.000 2.896 210 T HA 0.372 4.700 4.350 -0.037 0.000 0.263 210 T C 1.197 175.921 174.700 0.040 0.000 1.050 210 T CA 0.556 62.688 62.100 0.052 0.000 1.140 210 T CB -0.787 68.113 68.868 0.054 0.000 0.877 210 T HN 0.744 nan 8.240 nan 0.000 0.457 211 G N 1.837 110.661 108.800 0.041 0.000 2.760 211 G HA2 -0.014 3.923 3.960 -0.037 0.000 0.246 211 G HA3 -0.014 3.923 3.960 -0.037 0.000 0.246 211 G C -2.922 171.994 174.900 0.027 0.000 1.359 211 G CA -0.745 44.374 45.100 0.032 0.000 0.861 211 G HN 0.532 nan 8.290 nan 0.000 0.541 212 P HA 0.374 nan 4.420 nan 0.000 0.267 212 P C 0.527 177.837 177.300 0.016 0.000 1.205 212 P CA -0.251 62.859 63.100 0.017 0.000 0.765 212 P CB 0.391 32.099 31.700 0.014 0.000 0.828 213 L N 3.562 124.794 121.223 0.016 0.000 2.439 213 L HA 0.181 4.499 4.340 -0.037 0.000 0.269 213 L C 1.376 178.252 176.870 0.010 0.000 1.179 213 L CA -0.240 54.609 54.840 0.014 0.000 0.828 213 L CB 0.159 42.227 42.059 0.015 0.000 1.106 213 L HN 0.365 nan 8.230 nan 0.000 0.467 214 R N 0.614 121.119 120.500 0.008 0.000 2.640 214 R HA 0.019 4.337 4.340 -0.037 0.000 0.270 214 R C 0.732 177.035 176.300 0.005 0.000 1.024 214 R CA 0.509 56.612 56.100 0.005 0.000 1.085 214 R CB 0.403 30.705 30.300 0.003 0.000 0.963 214 R HN 0.741 nan 8.270 nan 0.000 0.426 215 T N -3.354 111.203 114.554 0.004 0.000 3.145 215 T HA 0.007 4.334 4.350 -0.037 0.000 0.281 215 T C 1.240 175.941 174.700 0.002 0.000 1.003 215 T CA 0.035 62.137 62.100 0.004 0.000 0.901 215 T CB 0.397 69.267 68.868 0.004 0.000 1.112 215 T HN 0.668 nan 8.240 nan 0.000 0.535 216 T N -0.573 113.982 114.554 0.001 0.000 3.054 216 T HA 0.141 4.468 4.350 -0.037 0.000 0.259 216 T C 0.770 175.470 174.700 -0.001 0.000 1.092 216 T CA -0.057 62.043 62.100 0.000 0.000 1.121 216 T CB -0.333 68.535 68.868 -0.001 0.000 0.912 216 T HN 0.428 nan 8.240 nan 0.000 0.489 217 Q N 2.073 121.873 119.800 -0.000 0.000 2.296 217 Q HA 0.271 4.589 4.340 -0.037 0.000 0.263 217 Q C -0.327 175.673 176.000 0.001 0.000 1.026 217 Q CA -0.030 55.772 55.803 -0.001 0.000 0.912 217 Q CB 0.763 29.501 28.738 -0.001 0.000 1.198 217 Q HN 0.290 nan 8.270 nan 0.000 0.407 218 K N 3.510 123.910 120.400 0.000 0.000 2.098 218 K HA 0.433 4.731 4.320 -0.037 0.000 0.258 218 K C -2.021 174.581 176.600 0.003 0.000 0.973 218 K CA -1.757 54.531 56.287 0.002 0.000 0.898 218 K CB 0.607 33.108 32.500 0.001 0.000 1.057 218 K HN 0.504 nan 8.250 nan 0.000 0.447 219 P HA 0.232 nan 4.420 nan 0.000 0.269 219 P C -0.522 176.783 177.300 0.008 0.000 1.209 219 P CA -0.035 63.069 63.100 0.007 0.000 0.776 219 P CB 0.591 32.297 31.700 0.009 0.000 0.876 220 I N 1.248 121.825 120.570 0.010 0.000 2.382 220 I HA 0.145 4.292 4.170 -0.037 0.000 0.285 220 I C 0.438 176.567 176.117 0.018 0.000 1.007 220 I CA -0.539 60.769 61.300 0.013 0.000 1.142 220 I CB 1.644 39.651 38.000 0.013 0.000 1.289 220 I HN 0.295 nan 8.210 nan 0.000 0.453 221 S N 7.740 123.452 115.700 0.019 0.000 2.429 221 S HA 0.621 5.069 4.470 -0.037 0.000 0.302 221 S C -0.535 174.083 174.600 0.031 0.000 1.115 221 S CA -0.475 57.739 58.200 0.024 0.000 1.095 221 S CB 0.380 63.593 63.200 0.020 0.000 0.987 221 S HN 0.451 nan 8.310 nan 0.000 0.474 222 I N 5.361 125.954 120.570 0.038 0.000 2.382 222 I HA 0.346 4.494 4.170 -0.037 0.000 0.285 222 I C 0.240 176.388 176.117 0.051 0.000 1.007 222 I CA -0.428 60.902 61.300 0.051 0.000 1.142 222 I CB 1.706 39.746 38.000 0.066 0.000 1.289 222 I HN 0.683 nan 8.210 nan 0.000 0.453 223 T N 1.982 116.566 114.554 0.049 0.000 2.887 223 T HA 0.533 4.861 4.350 -0.037 0.000 0.292 223 T C -0.678 174.052 174.700 0.050 0.000 1.087 223 T CA -0.874 61.253 62.100 0.045 0.000 1.009 223 T CB 2.341 71.229 68.868 0.033 0.000 1.203 223 T HN 0.493 nan 8.240 nan 0.000 0.518 224 Q N 1.349 121.175 119.800 0.043 0.000 2.616 224 Q HA 0.263 4.580 4.340 -0.037 0.000 0.250 224 Q C -1.959 174.055 176.000 0.024 0.000 0.991 224 Q CA -1.971 53.856 55.803 0.040 0.000 0.707 224 Q CB 2.097 30.862 28.738 0.045 0.000 1.247 224 Q HN 0.579 nan 8.270 nan 0.000 0.491 225 P HA -0.178 nan 4.420 nan 0.000 0.220 225 P C 0.084 177.390 177.300 0.010 0.000 1.144 225 P CA 1.298 64.408 63.100 0.016 0.000 0.800 225 P CB 0.501 32.211 31.700 0.016 0.000 0.772 226 E N -0.770 119.435 120.200 0.008 0.000 2.603 226 E HA 0.386 4.713 4.350 -0.037 0.000 0.211 226 E C 0.694 177.286 176.600 -0.014 0.000 0.995 226 E CA -0.048 56.352 56.400 -0.000 0.000 0.990 226 E CB 0.542 30.244 29.700 0.003 0.000 1.036 226 E HN 0.189 nan 8.360 nan 0.000 0.475 227 G N 2.932 111.721 108.800 -0.018 0.000 2.756 227 G HA2 -0.185 3.752 3.960 -0.037 0.000 0.678 227 G HA3 -0.185 3.752 3.960 -0.037 0.000 0.678 227 G C -2.734 172.122 174.900 -0.073 0.000 1.349 227 G CA -0.894 44.175 45.100 -0.051 0.000 0.847 227 G HN -0.003 nan 8.290 nan 0.000 0.548 228 P HA 0.351 nan 4.420 nan 0.000 0.274 228 P C 0.601 177.788 177.300 -0.189 0.000 1.246 228 P CA 0.118 63.063 63.100 -0.258 0.000 0.795 228 P CB 1.221 32.418 31.700 -0.839 0.000 1.006 229 S N -0.163 115.558 115.700 0.035 0.000 2.558 229 S HA 0.124 4.571 4.470 -0.037 0.000 0.217 229 S C 0.701 175.468 174.600 0.279 0.000 0.975 229 S CA 0.060 58.356 58.200 0.161 0.000 0.912 229 S CB -0.724 62.632 63.200 0.260 0.000 0.776 229 S HN 0.560 nan 8.310 nan 0.000 0.526 230 F N 2.122 122.274 119.950 0.336 0.000 2.403 230 F HA 0.737 5.242 4.527 -0.037 0.000 0.326 230 F C 0.173 176.065 175.800 0.153 0.000 1.081 230 F CA -1.086 57.093 58.000 0.298 0.000 1.041 230 F CB 0.348 39.483 39.000 0.225 0.000 1.234 230 F HN -0.144 nan 8.300 nan 0.000 0.503 231 T N -0.152 114.595 114.554 0.320 0.000 2.856 231 T HA 0.725 5.053 4.350 -0.037 0.000 0.283 231 T C -1.119 173.738 174.700 0.261 0.000 1.008 231 T CA -0.804 61.414 62.100 0.195 0.000 0.997 231 T CB 1.427 70.383 68.868 0.145 0.000 0.992 231 T HN 0.670 nan 8.240 nan 0.000 0.454 232 V N 3.615 123.657 119.914 0.214 0.000 2.409 232 V HA 0.716 4.814 4.120 -0.037 0.000 0.291 232 V C 0.388 176.578 176.094 0.161 0.000 1.020 232 V CA -0.635 61.784 62.300 0.199 0.000 0.848 232 V CB 1.243 33.185 31.823 0.198 0.000 0.990 232 V HN 1.278 nan 8.190 nan 0.000 0.430 233 T N 0.146 114.811 114.554 0.185 0.000 2.906 233 T HA 0.678 5.005 4.350 -0.037 0.000 0.295 233 T C 0.745 175.533 174.700 0.147 0.000 1.061 233 T CA -0.073 62.116 62.100 0.150 0.000 1.000 233 T CB 1.771 70.725 68.868 0.144 0.000 1.103 233 T HN 1.741 nan 8.240 nan 0.000 0.486 234 G N 0.022 108.880 108.800 0.096 0.000 2.225 234 G HA2 0.117 4.055 3.960 -0.037 0.000 0.267 234 G HA3 0.117 4.055 3.960 -0.037 0.000 0.267 234 G C 1.343 176.300 174.900 0.094 0.000 1.024 234 G CA 0.949 46.098 45.100 0.082 0.000 0.784 234 G HN 2.406 nan 8.290 nan 0.000 0.507 235 G N -0.053 108.803 108.800 0.093 0.000 2.609 235 G HA2 -0.312 3.626 3.960 -0.037 0.000 0.235 235 G HA3 -0.312 3.626 3.960 -0.037 0.000 0.235 235 G C 0.954 175.912 174.900 0.096 0.000 1.177 235 G CA 1.341 46.493 45.100 0.085 0.000 0.707 235 G HN 2.216 nan 8.290 nan 0.000 0.513 236 N N -0.391 118.378 118.700 0.115 0.000 2.232 236 N HA 0.112 4.829 4.740 -0.037 0.000 0.240 236 N C -0.241 175.342 175.510 0.121 0.000 1.307 236 N CA 0.118 53.231 53.050 0.104 0.000 0.859 236 N CB -0.332 38.212 38.487 0.096 0.000 1.260 236 N HN 0.601 nan 8.380 nan 0.000 0.501 237 H N 1.642 120.753 119.070 0.067 0.000 2.604 237 H HA 0.312 4.846 4.556 -0.037 0.000 0.306 237 H C -0.742 174.634 175.328 0.080 0.000 1.075 237 H CA -0.286 55.800 56.048 0.063 0.000 1.357 237 H CB 0.984 30.785 29.762 0.065 0.000 1.426 237 H HN -0.022 nan 8.280 nan 0.000 0.470 238 I N 4.620 124.953 120.570 -0.395 0.000 2.412 238 I HA 0.239 4.387 4.170 -0.037 0.000 0.296 238 I C 0.150 176.154 176.117 -0.189 0.000 0.987 238 I CA -0.657 60.538 61.300 -0.175 0.000 1.180 238 I CB 1.585 39.496 38.000 -0.150 0.000 1.340 238 I HN 0.552 nan 8.210 nan 0.000 0.455 239 E N 5.349 125.597 120.200 0.081 0.000 2.216 239 E HA 0.333 4.660 4.350 -0.037 0.000 0.260 239 E C -1.754 175.045 176.600 0.331 0.000 0.880 239 E CA -0.425 56.075 56.400 0.166 0.000 0.765 239 E CB 2.869 32.676 29.700 0.178 0.000 1.174 239 E HN 0.653 nan 8.360 nan 0.000 0.417 240 W N 3.769 125.140 121.300 0.118 0.000 3.326 240 W HA 0.136 4.774 4.660 -0.037 0.000 0.333 240 W C -0.502 176.118 176.519 0.169 0.000 1.108 240 W CA -0.424 57.017 57.345 0.161 0.000 1.245 240 W CB 0.924 30.480 29.460 0.160 0.000 1.331 240 W HN 0.318 nan 8.180 nan 0.000 0.464 241 E N 6.158 126.051 120.200 -0.510 0.000 2.149 241 E HA -0.306 4.021 4.350 -0.037 0.000 0.191 241 E C 0.510 176.827 176.600 -0.472 0.000 1.384 241 E CA 1.747 57.761 56.400 -0.643 0.000 0.698 241 E CB -0.808 28.108 29.700 -1.307 0.000 1.086 241 E HN 0.740 nan 8.360 nan 0.000 0.338 242 K N -4.475 115.677 120.400 -0.413 0.000 3.578 242 K HA -0.236 4.062 4.320 -0.037 0.000 0.270 242 K C 0.303 176.497 176.600 -0.676 0.000 1.003 242 K CA 1.861 57.729 56.287 -0.699 0.000 1.128 242 K CB -1.813 29.851 32.500 -1.393 0.000 1.341 242 K HN 0.343 nan 8.250 nan 0.000 0.499 243 W N 1.757 122.859 121.300 -0.330 0.000 2.237 243 W HA 0.451 5.089 4.660 -0.037 0.000 0.335 243 W C 0.912 177.414 176.519 -0.027 0.000 1.230 243 W CA 0.044 57.339 57.345 -0.083 0.000 1.253 243 W CB 1.113 30.671 29.460 0.164 0.000 1.129 243 W HN 0.063 nan 8.180 nan 0.000 0.590 244 S N 3.970 119.837 115.700 0.279 0.000 2.572 244 S HA 0.812 5.260 4.470 -0.037 0.000 0.274 244 S C -1.149 173.468 174.600 0.029 0.000 1.150 244 S CA -0.759 57.497 58.200 0.093 0.000 0.944 244 S CB 0.153 63.434 63.200 0.135 0.000 1.071 244 S HN 0.597 nan 8.310 nan 0.000 0.479 245 L N 0.973 122.083 121.223 -0.189 0.000 2.999 245 L HA 0.762 5.079 4.340 -0.037 0.000 0.274 245 L C -2.094 174.641 176.870 -0.226 0.000 1.044 245 L CA -1.071 53.672 54.840 -0.160 0.000 0.943 245 L CB 1.657 43.631 42.059 -0.142 0.000 1.522 245 L HN 0.418 nan 8.230 nan 0.000 0.400 246 D N 1.403 121.745 120.400 -0.098 0.000 2.502 246 D HA 0.459 5.077 4.640 -0.037 0.000 0.249 246 D C -0.839 175.474 176.300 0.022 0.000 1.092 246 D CA -0.257 53.751 54.000 0.013 0.000 0.839 246 D CB 3.211 44.064 40.800 0.088 0.000 1.264 246 D HN 0.359 nan 8.370 nan 0.000 0.511 247 V N 2.272 122.194 119.914 0.014 0.000 2.353 247 V HA 0.457 4.555 4.120 -0.037 0.000 0.264 247 V C 1.000 177.152 176.094 0.096 0.000 1.049 247 V CA -0.370 61.926 62.300 -0.007 0.000 0.896 247 V CB 1.028 32.829 31.823 -0.037 0.000 1.025 247 V HN 0.585 nan 8.190 nan 0.000 0.475 248 G N 3.169 112.054 108.800 0.142 0.000 2.511 248 G HA2 0.699 4.636 3.960 -0.037 0.000 0.316 248 G HA3 0.699 4.636 3.960 -0.037 0.000 0.316 248 G C -1.482 173.505 174.900 0.145 0.000 1.210 248 G CA -0.477 44.748 45.100 0.208 0.000 0.969 248 G HN 0.501 nan 8.290 nan 0.000 0.492 249 F N 0.047 119.978 119.950 -0.033 0.000 2.588 249 F HA 0.475 4.979 4.527 -0.038 0.000 0.318 249 F C -1.432 174.315 175.800 -0.088 0.000 1.155 249 F CA -0.889 57.041 58.000 -0.117 0.000 0.967 249 F CB 2.440 41.357 39.000 -0.138 0.000 1.236 249 F HN 0.522 nan 8.300 nan 0.000 0.455 250 D N 3.821 123.869 120.400 -0.587 0.000 2.481 250 D HA 0.318 4.936 4.640 -0.037 0.000 0.244 250 D C 0.236 176.218 176.300 -0.532 0.000 1.057 250 D CA -0.543 53.256 54.000 -0.336 0.000 0.848 250 D CB 2.480 43.187 40.800 -0.155 0.000 1.388 250 D HN 0.360 nan 8.370 nan 0.000 0.475 251 V N 4.068 123.859 119.914 -0.205 0.000 2.490 251 V HA -0.128 3.969 4.120 -0.037 0.000 0.250 251 V C 2.128 178.167 176.094 -0.091 0.000 1.061 251 V CA 2.087 64.308 62.300 -0.131 0.000 1.064 251 V CB -0.374 31.406 31.823 -0.071 0.000 0.670 251 V HN 0.616 nan 8.190 nan 0.000 0.461 252 R N -0.449 120.058 120.500 0.012 0.000 2.057 252 R HA -0.054 4.264 4.340 -0.037 0.000 0.224 252 R C 2.179 178.416 176.300 -0.105 0.000 1.136 252 R CA 1.682 57.765 56.100 -0.028 0.000 0.968 252 R CB -0.163 30.071 30.300 -0.111 0.000 0.863 252 R HN 0.576 nan 8.270 nan 0.000 0.433 253 E N -0.600 119.513 120.200 -0.145 0.000 2.318 253 E HA 0.133 4.461 4.350 -0.037 0.000 0.193 253 E C 0.728 177.121 176.600 -0.345 0.000 0.998 253 E CA 0.343 56.647 56.400 -0.161 0.000 0.859 253 E CB 0.571 30.226 29.700 -0.075 0.000 0.812 253 E HN 0.564 nan 8.360 nan 0.000 0.492 254 G N 0.837 109.213 108.800 -0.706 0.000 2.488 254 G HA2 -0.297 3.641 3.960 -0.037 0.000 0.237 254 G HA3 -0.297 3.641 3.960 -0.037 0.000 0.237 254 G C -0.101 174.113 174.900 -1.143 0.000 1.209 254 G CA -0.340 43.980 45.100 -1.299 0.000 0.929 254 G HN 0.101 nan 8.290 nan 0.000 0.578 255 V N 0.681 120.103 119.914 -0.821 0.000 2.585 255 V HA 0.435 4.532 4.120 -0.037 0.000 0.296 255 V C 0.755 176.738 176.094 -0.185 0.000 1.035 255 V CA 0.159 62.316 62.300 -0.237 0.000 1.084 255 V CB 1.023 32.910 31.823 0.107 0.000 0.953 255 V HN 0.899 nan 8.190 nan 0.000 0.483 256 V N 6.634 126.393 119.914 -0.257 0.000 2.588 256 V HA 0.470 4.567 4.120 -0.037 0.000 0.304 256 V C -0.261 175.499 176.094 -0.555 0.000 1.042 256 V CA -0.622 61.434 62.300 -0.407 0.000 0.877 256 V CB 1.947 33.552 31.823 -0.365 0.000 0.996 256 V HN 0.613 nan 8.190 nan 0.000 0.425 257 L N 5.065 125.841 121.223 -0.745 0.000 2.295 257 L HA 0.628 4.946 4.340 -0.037 0.000 0.285 257 L C -0.417 176.056 176.870 -0.663 0.000 1.035 257 L CA -0.550 53.897 54.840 -0.656 0.000 0.806 257 L CB 1.027 42.632 42.059 -0.757 0.000 1.214 257 L HN 0.615 nan 8.230 nan 0.000 0.426 258 H N 3.550 122.455 119.070 -0.275 0.000 2.569 258 H HA 0.279 4.813 4.556 -0.037 0.000 0.357 258 H C -0.205 174.922 175.328 -0.336 0.000 1.153 258 H CA -0.750 55.112 56.048 -0.309 0.000 1.193 258 H CB 1.867 31.403 29.762 -0.378 0.000 1.602 258 H HN 0.562 nan 8.280 nan 0.000 0.523 259 N N 1.348 119.918 118.700 -0.217 0.000 2.705 259 N HA -0.201 4.516 4.740 -0.037 0.000 0.255 259 N C -0.351 175.100 175.510 -0.100 0.000 1.008 259 N CA 0.489 53.422 53.050 -0.194 0.000 0.742 259 N CB -1.318 37.003 38.487 -0.277 0.000 0.906 259 N HN 0.537 nan 8.380 nan 0.000 0.541 260 I N 0.548 121.064 120.570 -0.090 0.000 2.517 260 I HA 0.246 4.393 4.170 -0.037 0.000 0.285 260 I C 1.013 177.187 176.117 0.096 0.000 1.106 260 I CA 0.225 61.533 61.300 0.014 0.000 1.402 260 I CB 0.569 38.555 38.000 -0.023 0.000 1.399 260 I HN 0.345 nan 8.210 nan 0.000 0.535 261 A N 6.804 129.746 122.820 0.204 0.000 2.566 261 A HA 0.806 5.103 4.320 -0.037 0.000 0.292 261 A C -1.562 176.174 177.584 0.253 0.000 1.112 261 A CA -0.446 51.700 52.037 0.182 0.000 0.707 261 A CB 1.527 20.588 19.000 0.103 0.000 1.302 261 A HN 0.509 nan 8.150 nan 0.000 0.409 262 F N 0.402 120.357 119.950 0.009 0.000 2.539 262 F HA 0.581 5.086 4.527 -0.037 0.000 0.318 262 F C 0.313 176.131 175.800 0.029 0.000 1.135 262 F CA -0.413 57.527 58.000 -0.101 0.000 0.915 262 F CB 1.805 40.676 39.000 -0.214 0.000 1.176 262 F HN 0.609 nan 8.300 nan 0.000 0.440 263 R N 3.947 124.395 120.500 -0.086 0.000 2.325 263 R HA 0.108 4.426 4.340 -0.037 0.000 0.323 263 R C -0.972 175.438 176.300 0.184 0.000 1.177 263 R CA -0.152 55.967 56.100 0.031 0.000 1.018 263 R CB -0.161 30.096 30.300 -0.071 0.000 1.070 263 R HN 0.515 nan 8.270 nan 0.000 0.495 264 D N 3.878 124.471 120.400 0.321 0.000 2.468 264 D HA 0.205 4.823 4.640 -0.037 0.000 0.218 264 D C 1.035 177.435 176.300 0.168 0.000 1.155 264 D CA 0.944 55.156 54.000 0.355 0.000 0.924 264 D CB 0.661 41.672 40.800 0.351 0.000 1.029 264 D HN 0.735 nan 8.370 nan 0.000 0.515 265 G N 5.063 113.938 108.800 0.125 0.000 2.846 265 G HA2 -0.414 3.524 3.960 -0.037 0.000 0.317 265 G HA3 -0.414 3.524 3.960 -0.037 0.000 0.317 265 G C 0.949 175.876 174.900 0.045 0.000 1.210 265 G CA 0.709 45.849 45.100 0.066 0.000 0.972 265 G HN 0.578 nan 8.290 nan 0.000 0.567 266 D N 1.931 122.354 120.400 0.038 0.000 2.213 266 D HA 0.024 4.641 4.640 -0.037 0.000 0.205 266 D C 1.443 177.759 176.300 0.027 0.000 0.961 266 D CA 1.282 55.297 54.000 0.025 0.000 0.853 266 D CB -0.120 40.690 40.800 0.016 0.000 0.967 266 D HN 0.926 nan 8.370 nan 0.000 0.496 267 R N -0.203 120.319 120.500 0.036 0.000 2.732 267 R HA 0.578 4.896 4.340 -0.037 0.000 0.278 267 R C -0.889 175.447 176.300 0.059 0.000 0.976 267 R CA -1.090 55.031 56.100 0.035 0.000 0.963 267 R CB 1.415 31.724 30.300 0.016 0.000 1.150 267 R HN -0.057 nan 8.270 nan 0.000 0.478 268 L N 2.440 123.693 121.223 0.051 0.000 2.268 268 L HA 0.341 4.659 4.340 -0.037 0.000 0.289 268 L C -0.562 176.351 176.870 0.072 0.000 1.064 268 L CA -0.321 54.561 54.840 0.069 0.000 0.824 268 L CB 0.551 42.642 42.059 0.054 0.000 1.202 268 L HN 0.577 nan 8.230 nan 0.000 0.433 269 R N 7.091 127.668 120.500 0.128 0.000 2.207 269 R HA 0.435 4.752 4.340 -0.037 0.000 0.334 269 R C -2.327 174.068 176.300 0.158 0.000 1.013 269 R CA -1.757 54.425 56.100 0.137 0.000 0.858 269 R CB 0.710 31.119 30.300 0.182 0.000 1.094 269 R HN 0.480 nan 8.270 nan 0.000 0.457 270 P HA 0.082 nan 4.420 nan 0.000 0.271 270 P C -0.094 177.187 177.300 -0.031 0.000 1.218 270 P CA 0.058 63.143 63.100 -0.025 0.000 0.780 270 P CB 1.261 32.869 31.700 -0.154 0.000 0.901 271 I N 1.007 121.504 120.570 -0.123 0.000 3.650 271 I HA 0.240 4.388 4.170 -0.037 0.000 0.261 271 I C 0.734 176.705 176.117 -0.242 0.000 1.154 271 I CA 0.239 61.366 61.300 -0.289 0.000 1.418 271 I CB 0.361 38.079 38.000 -0.469 0.000 1.539 271 I HN 0.141 nan 8.210 nan 0.000 0.449 272 I N 1.293 121.756 120.570 -0.178 0.000 2.499 272 I HA 0.165 4.313 4.170 -0.037 0.000 0.288 272 I C 0.666 176.699 176.117 -0.141 0.000 1.048 272 I CA -0.231 60.978 61.300 -0.151 0.000 1.062 272 I CB 2.116 40.033 38.000 -0.138 0.000 1.238 272 I HN 0.107 nan 8.210 nan 0.000 0.426 273 N N 5.348 123.983 118.700 -0.108 0.000 2.171 273 N HA 0.012 4.730 4.740 -0.037 0.000 0.184 273 N C 0.532 175.990 175.510 -0.086 0.000 1.021 273 N CA 1.017 54.032 53.050 -0.058 0.000 0.854 273 N CB 0.519 39.082 38.487 0.126 0.000 0.994 273 N HN 0.539 nan 8.380 nan 0.000 0.426 274 R N -0.212 120.211 120.500 -0.129 0.000 2.536 274 R HA 0.469 4.787 4.340 -0.037 0.000 0.269 274 R C -2.107 174.027 176.300 -0.276 0.000 1.113 274 R CA -0.508 55.459 56.100 -0.222 0.000 0.948 274 R CB 1.834 32.056 30.300 -0.129 0.000 1.237 274 R HN 0.051 nan 8.270 nan 0.000 0.441 275 A N 2.198 124.771 122.820 -0.411 0.000 2.356 275 A HA 0.750 5.048 4.320 -0.037 0.000 0.310 275 A C -1.069 176.240 177.584 -0.458 0.000 1.075 275 A CA -0.429 51.360 52.037 -0.413 0.000 0.746 275 A CB 1.609 20.241 19.000 -0.612 0.000 1.221 275 A HN 0.817 nan 8.150 nan 0.000 0.443 276 S N 1.217 116.830 115.700 -0.145 0.000 2.588 276 S HA 0.628 5.075 4.470 -0.037 0.000 0.269 276 S C -1.075 173.635 174.600 0.183 0.000 1.157 276 S CA -0.720 57.481 58.200 0.003 0.000 0.824 276 S CB 0.847 63.987 63.200 -0.100 0.000 1.126 276 S HN 0.571 nan 8.310 nan 0.000 0.464 277 I N 2.305 123.001 120.570 0.211 0.000 2.269 277 I HA 0.350 4.498 4.170 -0.037 0.000 0.293 277 I C 1.387 177.588 176.117 0.140 0.000 1.106 277 I CA -0.407 61.005 61.300 0.187 0.000 1.248 277 I CB -0.037 38.147 38.000 0.307 0.000 1.444 277 I HN 0.969 nan 8.210 nan 0.000 0.497 278 A N 4.991 127.878 122.820 0.112 0.000 2.206 278 A HA 0.095 4.392 4.320 -0.037 0.000 0.211 278 A C 0.757 178.392 177.584 0.085 0.000 1.158 278 A CA 0.853 52.978 52.037 0.148 0.000 0.761 278 A CB 0.019 19.135 19.000 0.193 0.000 0.801 278 A HN 0.660 nan 8.150 nan 0.000 0.473 279 E N -2.061 118.128 120.200 -0.017 0.000 2.392 279 E HA 0.568 4.896 4.350 -0.037 0.000 0.281 279 E C -1.300 175.261 176.600 -0.065 0.000 1.088 279 E CA -0.340 55.998 56.400 -0.103 0.000 0.850 279 E CB 0.768 30.232 29.700 -0.394 0.000 1.267 279 E HN 0.179 nan 8.360 nan 0.000 0.438 280 M N 3.767 123.342 119.600 -0.041 0.000 2.265 280 M HA 0.461 4.918 4.480 -0.037 0.000 0.262 280 M C -2.029 174.158 176.300 -0.190 0.000 1.026 280 M CA -0.737 54.428 55.300 -0.225 0.000 0.987 280 M CB 1.472 33.893 32.600 -0.299 0.000 1.937 280 M HN 0.427 nan 8.290 nan 0.000 0.481 281 V N 5.556 125.310 119.914 -0.266 0.000 2.628 281 V HA 0.765 4.863 4.120 -0.037 0.000 0.306 281 V C -1.286 174.543 176.094 -0.443 0.000 1.045 281 V CA -0.306 61.728 62.300 -0.443 0.000 0.905 281 V CB 2.286 33.720 31.823 -0.649 0.000 0.997 281 V HN 0.658 nan 8.190 nan 0.000 0.436 282 V N 8.253 127.911 119.914 -0.427 0.000 2.276 282 V HA 0.403 4.501 4.120 -0.037 0.000 0.268 282 V C -2.427 173.360 176.094 -0.511 0.000 1.032 282 V CA -1.314 60.670 62.300 -0.527 0.000 0.810 282 V CB 1.214 32.716 31.823 -0.535 0.000 1.060 282 V HN 0.812 nan 8.190 nan 0.000 0.446 283 P HA 0.339 nan 4.420 nan 0.000 0.285 283 P C -1.309 175.764 177.300 -0.377 0.000 1.259 283 P CA -0.303 62.619 63.100 -0.298 0.000 0.794 283 P CB 1.121 32.677 31.700 -0.240 0.000 0.940 284 Y N 0.555 120.703 120.300 -0.252 0.000 2.361 284 Y HA 0.468 4.997 4.550 -0.035 0.000 0.332 284 Y C 1.707 177.545 175.900 -0.104 0.000 1.101 284 Y CA 0.212 58.201 58.100 -0.186 0.000 1.137 284 Y CB 1.506 39.781 38.460 -0.308 0.000 1.207 284 Y HN 0.477 nan 8.280 nan 0.000 0.463 285 G N 1.293 110.129 108.800 0.060 0.000 3.707 285 G HA2 0.004 3.941 3.960 -0.037 0.000 0.286 285 G HA3 0.004 3.941 3.960 -0.037 0.000 0.286 285 G C -0.684 174.256 174.900 0.065 0.000 1.112 285 G CA -0.174 44.970 45.100 0.072 0.000 0.861 285 G HN 0.509 nan 8.290 nan 0.000 0.534 286 D N 1.135 121.556 120.400 0.035 0.000 2.317 286 D HA 0.254 4.872 4.640 -0.037 0.000 0.234 286 D C -1.156 175.119 176.300 -0.041 0.000 1.112 286 D CA -2.408 51.577 54.000 -0.026 0.000 0.840 286 D CB 2.291 43.071 40.800 -0.034 0.000 1.078 286 D HN 0.038 nan 8.370 nan 0.000 0.486 287 P HA -0.026 nan 4.420 nan 0.000 0.242 287 P C 0.363 177.653 177.300 -0.017 0.000 1.197 287 P CA -0.044 63.046 63.100 -0.017 0.000 0.765 287 P CB 0.157 31.858 31.700 0.001 0.000 0.936 288 S N 2.441 118.122 115.700 -0.032 0.000 2.549 288 S HA 0.096 4.543 4.470 -0.037 0.000 0.286 288 S C -0.915 173.691 174.600 0.010 0.000 1.314 288 S CA -1.088 57.106 58.200 -0.010 0.000 1.062 288 S CB 0.220 63.396 63.200 -0.041 0.000 0.865 288 S HN 0.031 nan 8.310 nan 0.000 0.498 289 P HA -0.094 nan 4.420 nan 0.000 0.225 289 P C 1.365 178.816 177.300 0.252 0.000 1.148 289 P CA 0.660 63.849 63.100 0.147 0.000 0.779 289 P CB -0.060 31.732 31.700 0.152 0.000 0.780 290 I N -0.170 120.504 120.570 0.174 0.000 2.493 290 I HA -0.098 4.049 4.170 -0.037 0.000 0.254 290 I C 2.090 178.349 176.117 0.238 0.000 1.160 290 I CA 1.317 62.765 61.300 0.247 0.000 1.445 290 I CB -1.019 37.032 38.000 0.085 0.000 1.086 290 I HN 0.049 nan 8.210 nan 0.000 0.433 291 R N -0.719 119.708 120.500 -0.121 0.000 2.539 291 R HA 0.096 4.414 4.340 -0.037 0.000 0.342 291 R C 1.874 177.708 176.300 -0.777 0.000 0.941 291 R CA 0.481 56.209 56.100 -0.619 0.000 1.146 291 R CB 0.296 30.376 30.300 -0.367 0.000 1.541 291 R HN 0.261 nan 8.270 nan 0.000 0.525 292 S N 0.740 116.186 115.700 -0.424 0.000 2.537 292 S HA -0.109 4.339 4.470 -0.037 0.000 0.240 292 S C 1.343 175.726 174.600 -0.361 0.000 0.981 292 S CA 0.399 58.430 58.200 -0.283 0.000 0.948 292 S CB -0.385 62.746 63.200 -0.115 0.000 0.759 292 S HN 0.603 nan 8.310 nan 0.000 0.531 293 W N 0.413 121.532 121.300 -0.301 0.000 3.211 293 W HA 0.389 5.024 4.660 -0.042 0.000 0.292 293 W C 0.489 177.030 176.519 0.037 0.000 1.268 293 W CA -0.668 56.361 57.345 -0.527 0.000 1.702 293 W CB -0.587 28.498 29.460 -0.625 0.000 1.092 293 W HN 0.268 nan 8.180 nan 0.000 0.643 294 Q N 2.906 122.290 119.800 -0.694 0.000 2.286 294 Q HA 0.088 4.406 4.340 -0.037 0.000 0.265 294 Q C -0.757 175.204 176.000 -0.065 0.000 1.080 294 Q CA 0.724 56.214 55.803 -0.522 0.000 0.906 294 Q CB 0.123 28.204 28.738 -1.095 0.000 1.227 294 Q HN 0.040 nan 8.270 nan 0.000 0.409 295 N N 4.762 123.572 118.700 0.183 0.000 2.599 295 N HA 0.114 4.832 4.740 -0.037 0.000 0.283 295 N C -1.859 173.854 175.510 0.340 0.000 1.160 295 N CA -0.448 52.680 53.050 0.130 0.000 0.869 295 N CB 0.951 39.562 38.487 0.205 0.000 1.448 295 N HN 0.392 nan 8.380 nan 0.000 0.535 296 Y N 1.033 121.383 120.300 0.085 0.000 2.327 296 Y HA 0.403 4.930 4.550 -0.039 0.000 0.336 296 Y C 0.249 176.214 175.900 0.109 0.000 1.035 296 Y CA -0.918 57.319 58.100 0.228 0.000 1.165 296 Y CB 0.206 38.730 38.460 0.106 0.000 1.181 296 Y HN 0.299 nan 8.280 nan 0.000 0.494 297 F N 3.332 123.529 119.950 0.412 0.000 2.300 297 F HA 0.274 4.778 4.527 -0.038 0.000 0.364 297 F C 1.216 177.213 175.800 0.328 0.000 1.090 297 F CA -0.738 57.414 58.000 0.253 0.000 1.200 297 F CB 0.350 39.444 39.000 0.156 0.000 1.493 297 F HN 0.560 nan 8.300 nan 0.000 0.518 298 D N 0.644 121.269 120.400 0.375 0.000 2.133 298 D HA -0.172 4.446 4.640 -0.037 0.000 0.195 298 D C 1.816 178.315 176.300 0.333 0.000 0.997 298 D CA 1.942 56.149 54.000 0.346 0.000 0.840 298 D CB 0.150 41.041 40.800 0.152 0.000 0.947 298 D HN 0.395 nan 8.370 nan 0.000 0.452 299 T N -0.001 114.682 114.554 0.215 0.000 2.770 299 T HA -0.014 4.313 4.350 -0.037 0.000 0.258 299 T C 2.018 176.754 174.700 0.060 0.000 1.039 299 T CA 1.291 63.465 62.100 0.124 0.000 1.143 299 T CB -0.519 68.385 68.868 0.060 0.000 0.866 299 T HN 0.227 nan 8.240 nan 0.000 0.428 300 G N 0.952 109.790 108.800 0.062 0.000 2.402 300 G HA2 -0.121 3.817 3.960 -0.037 0.000 0.216 300 G HA3 -0.121 3.817 3.960 -0.037 0.000 0.216 300 G C 1.466 176.344 174.900 -0.037 0.000 1.162 300 G CA 0.553 45.607 45.100 -0.076 0.000 0.777 300 G HN 0.487 nan 8.290 nan 0.000 0.539 301 E N -1.069 119.185 120.200 0.091 0.000 2.166 301 E HA 0.080 4.408 4.350 -0.037 0.000 0.192 301 E C 1.898 178.456 176.600 -0.071 0.000 0.967 301 E CA 0.426 56.806 56.400 -0.032 0.000 0.840 301 E CB 0.058 29.721 29.700 -0.061 0.000 0.795 301 E HN 0.581 nan 8.360 nan 0.000 0.470 302 Y N -0.428 120.019 120.300 0.246 0.000 2.503 302 Y HA 0.188 4.715 4.550 -0.038 0.000 0.277 302 Y C -0.262 175.851 175.900 0.356 0.000 1.102 302 Y CA -0.252 58.067 58.100 0.365 0.000 1.261 302 Y CB 0.710 39.396 38.460 0.376 0.000 1.096 302 Y HN -0.170 nan 8.280 nan 0.000 0.546 303 L N 0.403 121.833 121.223 0.346 0.000 2.805 303 L HA -0.184 4.134 4.340 -0.037 0.000 0.688 303 L C 1.159 178.163 176.870 0.225 0.000 1.050 303 L CA 0.258 55.213 54.840 0.192 0.000 1.362 303 L CB -1.753 40.376 42.059 0.118 0.000 1.968 303 L HN 0.198 nan 8.230 nan 0.000 0.923 304 V N 0.515 120.563 119.914 0.222 0.000 2.392 304 V HA -0.104 3.994 4.120 -0.037 0.000 0.249 304 V C 2.105 178.338 176.094 0.231 0.000 1.059 304 V CA 2.250 64.722 62.300 0.287 0.000 1.051 304 V CB -0.727 31.237 31.823 0.234 0.000 0.658 304 V HN 0.848 nan 8.190 nan 0.000 0.455 305 G N 1.003 109.804 108.800 0.003 0.000 2.432 305 G HA2 -0.286 3.652 3.960 -0.037 0.000 0.219 305 G HA3 -0.286 3.652 3.960 -0.037 0.000 0.219 305 G C 1.568 176.556 174.900 0.148 0.000 1.135 305 G CA 0.949 46.001 45.100 -0.081 0.000 0.767 305 G HN 0.835 nan 8.290 nan 0.000 0.550 306 Q N -0.960 118.816 119.800 -0.040 0.000 2.291 306 Q HA -0.048 4.270 4.340 -0.037 0.000 0.205 306 Q C 1.242 177.103 176.000 -0.231 0.000 0.970 306 Q CA 0.964 56.656 55.803 -0.185 0.000 0.876 306 Q CB -0.320 28.182 28.738 -0.394 0.000 0.935 306 Q HN 0.512 nan 8.270 nan 0.000 0.455 307 Y N 0.816 121.270 120.300 0.258 0.000 2.493 307 Y HA 0.476 5.004 4.550 -0.036 0.000 0.275 307 Y C 0.644 176.722 175.900 0.296 0.000 1.183 307 Y CA -0.817 57.435 58.100 0.253 0.000 1.258 307 Y CB -0.141 38.464 38.460 0.241 0.000 1.108 307 Y HN 0.165 nan 8.280 nan 0.000 0.521 308 A N 1.025 124.099 122.820 0.423 0.000 2.546 308 A HA 0.042 4.340 4.320 -0.037 0.000 0.243 308 A C 0.347 178.133 177.584 0.337 0.000 1.063 308 A CA -0.179 52.142 52.037 0.475 0.000 0.757 308 A CB -0.308 18.980 19.000 0.481 0.000 0.991 308 A HN 0.590 nan 8.150 nan 0.000 0.503 309 N N 0.855 119.763 118.700 0.347 0.000 2.467 309 N HA 0.266 4.984 4.740 -0.037 0.000 0.262 309 N C -0.365 175.249 175.510 0.173 0.000 1.234 309 N CA -0.281 52.912 53.050 0.238 0.000 0.952 309 N CB 0.637 39.259 38.487 0.225 0.000 1.158 309 N HN 0.541 nan 8.380 nan 0.000 0.463 310 S N 1.820 117.580 115.700 0.101 0.000 2.416 310 S HA 0.184 4.632 4.470 -0.037 0.000 0.287 310 S C -0.206 174.415 174.600 0.035 0.000 1.139 310 S CA -0.700 57.522 58.200 0.036 0.000 1.058 310 S CB 0.008 63.207 63.200 -0.002 0.000 0.967 310 S HN 0.251 nan 8.310 nan 0.000 0.495 311 L N 4.067 125.327 121.223 0.061 0.000 2.416 311 L HA 0.326 4.643 4.340 -0.037 0.000 0.272 311 L C 0.745 177.633 176.870 0.030 0.000 1.161 311 L CA 0.320 55.224 54.840 0.107 0.000 0.845 311 L CB 0.067 42.291 42.059 0.276 0.000 1.119 311 L HN 0.493 nan 8.230 nan 0.000 0.464 312 E N 2.246 122.479 120.200 0.055 0.000 2.191 312 E HA 0.280 4.608 4.350 -0.037 0.000 0.278 312 E C -0.631 176.035 176.600 0.110 0.000 0.972 312 E CA -1.167 55.255 56.400 0.037 0.000 0.804 312 E CB 2.042 31.750 29.700 0.013 0.000 1.110 312 E HN 0.249 nan 8.360 nan 0.000 0.394 313 L N 1.875 123.177 121.223 0.131 0.000 2.455 313 L HA 0.244 4.562 4.340 -0.037 0.000 0.272 313 L C 1.396 178.312 176.870 0.077 0.000 1.174 313 L CA 1.818 56.753 54.840 0.158 0.000 0.869 313 L CB 0.154 42.314 42.059 0.168 0.000 1.130 313 L HN 0.830 nan 8.230 nan 0.000 0.474 314 G N 2.078 110.911 108.800 0.055 0.000 2.417 314 G HA2 -0.352 3.585 3.960 -0.037 0.000 0.233 314 G HA3 -0.352 3.585 3.960 -0.037 0.000 0.233 314 G C 1.011 175.925 174.900 0.023 0.000 1.103 314 G CA 0.394 45.514 45.100 0.032 0.000 0.647 314 G HN 0.739 nan 8.290 nan 0.000 0.512 315 C N 0.100 119.415 119.300 0.025 0.000 2.611 315 C HA 0.288 4.725 4.460 -0.037 0.000 0.283 315 C C 2.320 177.312 174.990 0.003 0.000 1.340 315 C CA 1.485 60.507 59.018 0.007 0.000 1.716 315 C CB -0.645 27.094 27.740 -0.002 0.000 2.134 315 C HN 0.564 nan 8.230 nan 0.000 0.526 316 D N -0.357 120.055 120.400 0.019 0.000 2.201 316 D HA 0.056 4.673 4.640 -0.037 0.000 0.209 316 D C 0.183 176.521 176.300 0.063 0.000 0.961 316 D CA 1.022 55.040 54.000 0.029 0.000 0.861 316 D CB 0.120 40.946 40.800 0.044 0.000 0.997 316 D HN 0.395 nan 8.370 nan 0.000 0.486 317 c N 1.755 120.380 118.600 0.042 0.000 2.381 317 c HA 0.501 5.048 4.570 -0.037 0.000 0.328 317 c C -0.414 173.625 174.090 -0.085 0.000 1.190 317 c CA -1.087 55.202 56.329 -0.067 0.000 1.369 317 c CB 0.849 43.281 42.510 -0.129 0.000 2.029 317 c HN 0.157 nan 8.230 nan 0.000 0.448 318 L N 4.036 125.200 121.223 -0.098 0.000 2.322 318 L HA 0.976 5.294 4.340 -0.037 0.000 0.279 318 L C 0.521 177.362 176.870 -0.047 0.000 1.036 318 L CA 1.739 56.555 54.840 -0.039 0.000 0.807 318 L CB 1.107 43.172 42.059 0.010 0.000 1.226 318 L HN 1.099 nan 8.230 nan 0.000 0.433 319 G N 3.228 112.027 108.800 -0.001 0.000 2.416 319 G HA2 -0.149 3.788 3.960 -0.037 0.000 0.203 319 G HA3 -0.149 3.788 3.960 -0.037 0.000 0.203 319 G C -1.081 173.835 174.900 0.027 0.000 1.227 319 G CA -0.169 44.953 45.100 0.037 0.000 1.041 319 G HN 0.761 nan 8.290 nan 0.000 0.546 320 D N 1.472 121.911 120.400 0.066 0.000 2.441 320 D HA 0.438 5.056 4.640 -0.037 0.000 0.221 320 D C 0.280 176.623 176.300 0.072 0.000 1.156 320 D CA -0.235 53.801 54.000 0.060 0.000 0.896 320 D CB 0.060 40.898 40.800 0.063 0.000 1.028 320 D HN 0.382 nan 8.370 nan 0.000 0.509 321 I N 2.504 123.063 120.570 -0.018 0.000 2.392 321 I HA 0.227 4.375 4.170 -0.037 0.000 0.295 321 I C 0.654 176.701 176.117 -0.117 0.000 0.985 321 I CA -0.495 60.719 61.300 -0.142 0.000 1.221 321 I CB 1.550 39.280 38.000 -0.451 0.000 1.366 321 I HN 0.120 nan 8.210 nan 0.000 0.467 322 T N 6.183 120.709 114.554 -0.046 0.000 2.786 322 T HA 0.499 4.826 4.350 -0.037 0.000 0.283 322 T C -0.502 174.151 174.700 -0.078 0.000 0.992 322 T CA -0.286 61.847 62.100 0.056 0.000 0.954 322 T CB 0.481 69.541 68.868 0.320 0.000 0.934 322 T HN 0.159 nan 8.240 nan 0.000 0.440 323 Y N 2.094 122.446 120.300 0.086 0.000 2.335 323 Y HA 0.602 5.130 4.550 -0.037 0.000 0.323 323 Y C 0.308 176.228 175.900 0.033 0.000 1.224 323 Y CA -1.208 56.922 58.100 0.050 0.000 1.241 323 Y CB 0.935 39.414 38.460 0.031 0.000 1.235 323 Y HN 0.350 nan 8.280 nan 0.000 0.492 324 L N 1.856 123.196 121.223 0.195 0.000 2.376 324 L HA 0.381 4.698 4.340 -0.037 0.000 0.275 324 L C -0.649 176.225 176.870 0.005 0.000 0.987 324 L CA -0.516 54.371 54.840 0.078 0.000 0.828 324 L CB 1.691 43.771 42.059 0.034 0.000 1.249 324 L HN 0.571 nan 8.230 nan 0.000 0.409 325 S N 4.646 120.332 115.700 -0.023 0.000 2.921 325 S HA 0.273 4.720 4.470 -0.037 0.000 0.244 325 S C -2.147 172.367 174.600 -0.143 0.000 1.291 325 S CA -1.071 57.075 58.200 -0.090 0.000 1.010 325 S CB 0.162 63.328 63.200 -0.056 0.000 1.255 325 S HN 0.406 nan 8.310 nan 0.000 0.492 326 P HA 0.167 nan 4.420 nan 0.000 0.269 326 P C -0.687 176.493 177.300 -0.201 0.000 1.215 326 P CA -0.253 62.663 63.100 -0.308 0.000 0.780 326 P CB 0.739 31.966 31.700 -0.788 0.000 0.898 327 V N 3.890 123.756 119.914 -0.079 0.000 2.459 327 V HA 0.452 4.550 4.120 -0.037 0.000 0.295 327 V C 0.706 176.811 176.094 0.019 0.000 1.029 327 V CA -0.562 61.721 62.300 -0.029 0.000 0.874 327 V CB 1.192 33.012 31.823 -0.005 0.000 0.985 327 V HN 0.497 nan 8.190 nan 0.000 0.438 328 I N 0.986 121.564 120.570 0.014 0.000 3.206 328 I HA 0.822 4.969 4.170 -0.037 0.000 0.313 328 I C -0.155 175.957 176.117 -0.009 0.000 1.103 328 I CA -0.676 60.639 61.300 0.024 0.000 0.985 328 I CB 2.301 40.328 38.000 0.045 0.000 1.240 328 I HN 0.518 nan 8.210 nan 0.000 0.464 329 S N 0.960 116.638 115.700 -0.037 0.000 2.565 329 S HA 0.405 4.852 4.470 -0.037 0.000 0.290 329 S C -0.592 173.986 174.600 -0.037 0.000 1.150 329 S CA -0.585 57.589 58.200 -0.044 0.000 1.058 329 S CB 0.809 63.964 63.200 -0.075 0.000 1.032 329 S HN 0.800 nan 8.310 nan 0.000 0.510 330 D N 2.678 123.072 120.400 -0.010 0.000 2.478 330 D HA 0.403 5.021 4.640 -0.037 0.000 0.274 330 D C 1.196 177.451 176.300 -0.074 0.000 1.234 330 D CA -0.148 53.848 54.000 -0.007 0.000 1.069 330 D CB -0.073 40.763 40.800 0.061 0.000 1.113 330 D HN 0.484 nan 8.370 nan 0.000 0.571 331 A N -1.289 121.424 122.820 -0.177 0.000 2.172 331 A HA 0.010 4.308 4.320 -0.037 0.000 0.216 331 A C 1.278 178.504 177.584 -0.596 0.000 1.154 331 A CA 0.633 52.424 52.037 -0.410 0.000 0.701 331 A CB -0.882 17.773 19.000 -0.573 0.000 0.789 331 A HN 0.441 nan 8.150 nan 0.000 0.465 332 F N -1.613 118.342 119.950 0.009 0.000 2.661 332 F HA 0.403 4.908 4.527 -0.038 0.000 0.306 332 F C 1.697 177.489 175.800 -0.013 0.000 1.094 332 F CA 0.197 58.197 58.000 0.001 0.000 1.254 332 F CB 0.358 39.359 39.000 0.002 0.000 1.040 332 F HN 0.288 nan 8.300 nan 0.000 0.562 333 G N 0.579 109.424 108.800 0.074 0.000 2.175 333 G HA2 -0.286 3.651 3.960 -0.037 0.000 0.244 333 G HA3 -0.286 3.651 3.960 -0.037 0.000 0.244 333 G C -0.076 174.834 174.900 0.017 0.000 0.982 333 G CA -0.324 44.790 45.100 0.023 0.000 0.641 333 G HN 0.416 nan 8.290 nan 0.000 0.527 334 N N 2.484 121.217 118.700 0.055 0.000 2.499 334 N HA 0.520 5.238 4.740 -0.037 0.000 0.281 334 N C -2.300 173.216 175.510 0.011 0.000 1.098 334 N CA -1.168 51.902 53.050 0.034 0.000 0.979 334 N CB 1.650 40.175 38.487 0.063 0.000 1.121 334 N HN 0.151 nan 8.380 nan 0.000 0.466 335 P HA 0.111 nan 4.420 nan 0.000 0.275 335 P C -1.090 176.210 177.300 0.001 0.000 1.227 335 P CA -0.125 62.968 63.100 -0.012 0.000 0.781 335 P CB 1.019 32.706 31.700 -0.023 0.000 0.906 336 R N 1.759 122.259 120.500 -0.000 0.000 2.532 336 R HA 0.273 4.591 4.340 -0.037 0.000 0.297 336 R C -0.550 175.743 176.300 -0.011 0.000 0.984 336 R CA -0.608 55.495 56.100 0.004 0.000 0.884 336 R CB 1.476 31.786 30.300 0.016 0.000 1.182 336 R HN 0.470 nan 8.270 nan 0.000 0.442 337 E N 5.372 125.561 120.200 -0.017 0.000 2.249 337 E HA 0.180 4.507 4.350 -0.037 0.000 0.280 337 E C -0.722 175.849 176.600 -0.048 0.000 1.016 337 E CA -0.543 55.832 56.400 -0.040 0.000 0.830 337 E CB 0.945 30.624 29.700 -0.035 0.000 1.081 337 E HN 0.573 nan 8.360 nan 0.000 0.395 338 I N 5.521 126.036 120.570 -0.093 0.000 2.313 338 I HA 0.192 4.340 4.170 -0.037 0.000 0.286 338 I C 0.679 176.736 176.117 -0.100 0.000 1.091 338 I CA -0.447 60.798 61.300 -0.091 0.000 1.216 338 I CB 0.393 38.299 38.000 -0.156 0.000 1.434 338 I HN 0.345 nan 8.210 nan 0.000 0.487 339 R N 6.352 126.810 120.500 -0.071 0.000 2.480 339 R HA -0.032 4.286 4.340 -0.037 0.000 0.303 339 R C 0.058 176.282 176.300 -0.127 0.000 0.985 339 R CA 0.321 56.366 56.100 -0.091 0.000 1.051 339 R CB 0.213 30.466 30.300 -0.080 0.000 0.935 339 R HN 0.630 nan 8.270 nan 0.000 0.410 340 N N 2.418 121.019 118.700 -0.165 0.000 2.740 340 N HA -0.169 4.548 4.740 -0.037 0.000 0.248 340 N C 0.594 176.100 175.510 -0.008 0.000 1.062 340 N CA 1.176 54.074 53.050 -0.253 0.000 0.704 340 N CB -1.280 36.769 38.487 -0.731 0.000 0.968 340 N HN 0.879 nan 8.380 nan 0.000 0.547 341 G N -1.078 107.723 108.800 0.001 0.000 2.712 341 G HA2 0.274 4.212 3.960 -0.037 0.000 0.212 341 G HA3 0.274 4.212 3.960 -0.037 0.000 0.212 341 G C 0.497 175.472 174.900 0.125 0.000 1.142 341 G CA 0.230 45.347 45.100 0.028 0.000 0.789 341 G HN 0.442 nan 8.290 nan 0.000 0.535 342 I N 0.278 120.940 120.570 0.153 0.000 2.499 342 I HA 0.301 4.448 4.170 -0.037 0.000 0.288 342 I C -0.800 175.433 176.117 0.194 0.000 1.048 342 I CA -0.916 60.490 61.300 0.176 0.000 1.062 342 I CB 2.479 40.526 38.000 0.078 0.000 1.238 342 I HN -0.202 nan 8.210 nan 0.000 0.426 343 c N 6.774 125.446 118.600 0.120 0.000 2.358 343 c HA 0.686 5.233 4.570 -0.037 0.000 0.342 343 c C 0.062 174.135 174.090 -0.029 0.000 1.234 343 c CA -0.475 55.819 56.329 -0.058 0.000 1.969 343 c CB 0.691 43.173 42.510 -0.047 0.000 2.346 343 c HN 0.660 nan 8.230 nan 0.000 0.525 344 M N 4.049 123.594 119.600 -0.093 0.000 2.213 344 M HA 0.440 4.898 4.480 -0.037 0.000 0.286 344 M C -0.816 175.444 176.300 -0.067 0.000 1.008 344 M CA -0.123 55.074 55.300 -0.172 0.000 0.937 344 M CB 1.630 34.056 32.600 -0.290 0.000 1.600 344 M HN 1.075 nan 8.290 nan 0.000 0.450 345 H N 0.073 118.922 119.070 -0.369 0.000 3.003 345 H HA 0.601 5.135 4.556 -0.037 0.000 0.327 345 H C -1.923 173.287 175.328 -0.198 0.000 1.353 345 H CA -1.305 54.694 56.048 -0.081 0.000 1.142 345 H CB 1.304 31.075 29.762 0.014 0.000 1.864 345 H HN 0.605 nan 8.280 nan 0.000 0.529 346 E N 1.155 121.346 120.200 -0.016 0.000 2.195 346 E HA 0.420 4.748 4.350 -0.037 0.000 0.271 346 E C -1.047 175.537 176.600 -0.027 0.000 0.923 346 E CA -1.073 55.220 56.400 -0.177 0.000 0.790 346 E CB 2.613 32.388 29.700 0.125 0.000 1.155 346 E HN 0.765 nan 8.360 nan 0.000 0.402 347 E N 2.155 122.310 120.200 -0.074 0.000 2.317 347 E HA 0.259 4.587 4.350 -0.037 0.000 0.270 347 E C -1.299 175.406 176.600 0.176 0.000 0.885 347 E CA -1.049 55.395 56.400 0.074 0.000 0.760 347 E CB 1.583 31.322 29.700 0.065 0.000 1.227 347 E HN 0.536 nan 8.360 nan 0.000 0.434 348 D N 1.555 122.079 120.400 0.205 0.000 2.472 348 D HA -0.090 4.528 4.640 -0.037 0.000 0.237 348 D C -0.932 175.584 176.300 0.359 0.000 1.141 348 D CA 0.245 54.382 54.000 0.228 0.000 0.875 348 D CB 0.514 41.398 40.800 0.140 0.000 1.192 348 D HN 0.522 nan 8.370 nan 0.000 0.450 349 W N 5.801 127.140 121.300 0.066 0.000 1.340 349 W HA 0.366 5.003 4.660 -0.038 0.000 0.301 349 W C 0.336 176.884 176.519 0.048 0.000 0.834 349 W CA 0.046 57.429 57.345 0.063 0.000 2.473 349 W CB 0.107 29.654 29.460 0.144 0.000 1.837 349 W HN 0.849 nan 8.180 nan 0.000 0.528 350 G N 1.963 110.701 108.800 -0.104 0.000 2.564 350 G HA2 -0.336 3.602 3.960 -0.037 0.000 0.273 350 G HA3 -0.336 3.602 3.960 -0.037 0.000 0.273 350 G C -0.360 174.515 174.900 -0.041 0.000 1.242 350 G CA -0.035 44.980 45.100 -0.142 0.000 0.951 350 G HN 0.074 nan 8.290 nan 0.000 0.564 351 I N 1.335 121.870 120.570 -0.060 0.000 2.496 351 I HA 0.224 4.372 4.170 -0.037 0.000 0.285 351 I C 1.569 177.702 176.117 0.025 0.000 1.080 351 I CA -0.123 61.167 61.300 -0.017 0.000 1.404 351 I CB 0.791 38.773 38.000 -0.030 0.000 1.403 351 I HN 0.629 nan 8.210 nan 0.000 0.539 352 L N 6.494 127.748 121.223 0.052 0.000 2.200 352 L HA 0.475 4.793 4.340 -0.037 0.000 0.200 352 L C 0.629 177.545 176.870 0.077 0.000 1.072 352 L CA 1.045 55.936 54.840 0.085 0.000 0.787 352 L CB 0.109 42.228 42.059 0.100 0.000 0.957 352 L HN 0.709 nan 8.230 nan 0.000 0.459 353 A N -0.471 122.398 122.820 0.082 0.000 2.566 353 A HA 0.645 4.942 4.320 -0.037 0.000 0.297 353 A C -1.122 176.557 177.584 0.159 0.000 1.059 353 A CA -0.609 51.509 52.037 0.136 0.000 0.691 353 A CB 1.072 20.205 19.000 0.221 0.000 1.282 353 A HN 0.052 nan 8.150 nan 0.000 0.401 354 K N 0.977 121.487 120.400 0.182 0.000 2.543 354 K HA 0.595 4.893 4.320 -0.037 0.000 0.255 354 K C -2.166 174.579 176.600 0.241 0.000 0.934 354 K CA -0.528 55.873 56.287 0.191 0.000 0.810 354 K CB 1.795 34.342 32.500 0.079 0.000 1.315 354 K HN 1.083 nan 8.250 nan 0.000 0.433 355 H N 0.291 119.439 119.070 0.130 0.000 3.137 355 H HA 0.356 4.889 4.556 -0.037 0.000 0.336 355 H C -1.936 173.420 175.328 0.046 0.000 1.055 355 H CA -0.337 55.741 56.048 0.050 0.000 1.349 355 H CB 1.874 31.639 29.762 0.006 0.000 1.939 355 H HN 0.411 nan 8.280 nan 0.000 0.487 356 S N 4.115 119.483 115.700 -0.553 0.000 2.520 356 S HA 0.169 4.617 4.470 -0.037 0.000 0.324 356 S C -0.799 173.354 174.600 -0.745 0.000 1.069 356 S CA -0.626 57.306 58.200 -0.448 0.000 1.121 356 S CB 0.395 63.459 63.200 -0.227 0.000 0.971 356 S HN 0.651 nan 8.310 nan 0.000 0.463 357 D N 2.335 122.377 120.400 -0.596 0.000 2.274 357 D HA 0.293 4.910 4.640 -0.037 0.000 0.239 357 D C 1.005 177.190 176.300 -0.192 0.000 1.104 357 D CA -0.594 53.172 54.000 -0.390 0.000 0.840 357 D CB 0.853 41.614 40.800 -0.065 0.000 1.100 357 D HN 0.258 nan 8.370 nan 0.000 0.477 358 L N 5.510 126.588 121.223 -0.242 0.000 1.994 358 L HA -0.060 4.258 4.340 -0.037 0.000 0.208 358 L C 1.421 178.301 176.870 0.016 0.000 1.071 358 L CA 1.670 56.412 54.840 -0.164 0.000 0.745 358 L CB -0.453 41.436 42.059 -0.283 0.000 0.892 358 L HN 0.611 nan 8.230 nan 0.000 0.431 359 W N -0.200 121.105 121.300 0.008 0.000 2.358 359 W HA -0.106 4.532 4.660 -0.037 0.000 0.303 359 W C 2.965 179.488 176.519 0.006 0.000 1.208 359 W CA 1.524 58.875 57.345 0.010 0.000 1.274 359 W CB -1.798 27.673 29.460 0.018 0.000 1.138 359 W HN 0.550 nan 8.180 nan 0.000 0.515 360 S N -1.109 114.720 115.700 0.216 0.000 2.503 360 S HA 0.306 4.754 4.470 -0.037 0.000 0.217 360 S C 1.796 176.441 174.600 0.075 0.000 0.999 360 S CA 0.841 59.118 58.200 0.129 0.000 0.914 360 S CB -0.029 63.237 63.200 0.109 0.000 0.782 360 S HN 0.421 nan 8.310 nan 0.000 0.520 361 G N 1.143 109.974 108.800 0.051 0.000 2.184 361 G HA2 -0.246 3.692 3.960 -0.037 0.000 0.264 361 G HA3 -0.246 3.692 3.960 -0.037 0.000 0.264 361 G C 0.014 174.920 174.900 0.008 0.000 0.975 361 G CA 0.360 45.473 45.100 0.022 0.000 0.642 361 G HN 0.602 nan 8.290 nan 0.000 0.536 362 I N 1.420 121.998 120.570 0.013 0.000 2.371 362 I HA 0.270 4.418 4.170 -0.037 0.000 0.290 362 I C -0.396 175.723 176.117 0.003 0.000 1.028 362 I CA -0.744 60.571 61.300 0.025 0.000 1.345 362 I CB 0.931 38.960 38.000 0.048 0.000 1.407 362 I HN -0.032 nan 8.210 nan 0.000 0.501 363 N N 6.517 125.231 118.700 0.024 0.000 2.417 363 N HA 0.300 5.018 4.740 -0.037 0.000 0.274 363 N C -1.307 174.271 175.510 0.114 0.000 0.987 363 N CA -0.431 52.630 53.050 0.017 0.000 0.912 363 N CB 1.633 40.112 38.487 -0.014 0.000 1.177 363 N HN 0.442 nan 8.380 nan 0.000 0.490 364 Y N 1.085 121.370 120.300 -0.025 0.000 2.391 364 Y HA 0.508 5.036 4.550 -0.037 0.000 0.341 364 Y C -0.979 174.926 175.900 0.009 0.000 0.965 364 Y CA -0.321 57.782 58.100 0.005 0.000 1.067 364 Y CB 1.590 40.069 38.460 0.032 0.000 1.199 364 Y HN 0.337 nan 8.280 nan 0.000 0.450 365 T N 6.807 121.176 114.554 -0.308 0.000 2.971 365 T HA 0.574 4.901 4.350 -0.037 0.000 0.304 365 T C -1.314 173.152 174.700 -0.390 0.000 1.038 365 T CA -1.009 60.946 62.100 -0.242 0.000 1.007 365 T CB 1.204 70.007 68.868 -0.109 0.000 1.055 365 T HN 0.411 nan 8.240 nan 0.000 0.451 366 R N 1.909 122.241 120.500 -0.279 0.000 2.686 366 R HA 0.565 4.883 4.340 -0.037 0.000 0.283 366 R C -0.545 175.718 176.300 -0.062 0.000 0.978 366 R CA -0.992 54.988 56.100 -0.200 0.000 0.897 366 R CB 1.761 31.945 30.300 -0.193 0.000 1.192 366 R HN 0.460 nan 8.270 nan 0.000 0.457 367 R N 1.277 121.763 120.500 -0.024 0.000 2.500 367 R HA 0.350 4.667 4.340 -0.037 0.000 0.275 367 R C 0.280 176.636 176.300 0.093 0.000 1.051 367 R CA -0.813 55.306 56.100 0.031 0.000 1.088 367 R CB 0.681 31.004 30.300 0.038 0.000 1.063 367 R HN 0.457 nan 8.270 nan 0.000 0.511 368 N N 0.908 119.700 118.700 0.154 0.000 2.459 368 N HA 0.429 5.147 4.740 -0.037 0.000 0.288 368 N C -0.988 174.724 175.510 0.337 0.000 1.186 368 N CA -0.606 52.602 53.050 0.263 0.000 0.917 368 N CB 1.340 40.029 38.487 0.337 0.000 1.219 368 N HN 0.570 nan 8.380 nan 0.000 0.525 369 R N -0.664 120.089 120.500 0.421 0.000 2.692 369 R HA 0.555 4.872 4.340 -0.037 0.000 0.269 369 R C -1.113 175.435 176.300 0.413 0.000 1.030 369 R CA -1.051 55.302 56.100 0.422 0.000 0.882 369 R CB 1.443 31.987 30.300 0.406 0.000 1.250 369 R HN 0.610 nan 8.270 nan 0.000 0.465 370 R N 1.803 122.334 120.500 0.052 0.000 2.744 370 R HA 0.537 4.855 4.340 -0.037 0.000 0.279 370 R C -1.310 174.530 176.300 -0.767 0.000 0.977 370 R CA -1.090 54.740 56.100 -0.450 0.000 0.906 370 R CB 1.966 31.617 30.300 -1.082 0.000 1.197 370 R HN 0.616 nan 8.270 nan 0.000 0.463 371 M N 2.697 121.533 119.600 -1.274 0.000 2.188 371 M HA 0.303 4.760 4.480 -0.037 0.000 0.357 371 M C -1.533 174.277 176.300 -0.816 0.000 1.204 371 M CA -0.623 53.840 55.300 -1.395 0.000 1.095 371 M CB 1.535 33.059 32.600 -1.794 0.000 1.604 371 M HN 0.490 nan 8.290 nan 0.000 0.464 372 V N 7.012 126.509 119.914 -0.694 0.000 2.495 372 V HA 0.586 4.683 4.120 -0.037 0.000 0.298 372 V C -0.485 175.429 176.094 -0.300 0.000 1.031 372 V CA -0.603 61.463 62.300 -0.391 0.000 0.871 372 V CB 1.616 33.208 31.823 -0.384 0.000 0.988 372 V HN 0.795 nan 8.190 nan 0.000 0.432 373 I N 4.417 124.887 120.570 -0.167 0.000 2.468 373 I HA 0.635 4.782 4.170 -0.037 0.000 0.285 373 I C -0.121 176.020 176.117 0.040 0.000 1.039 373 I CA 0.041 61.299 61.300 -0.070 0.000 1.074 373 I CB 1.996 39.945 38.000 -0.085 0.000 1.228 373 I HN 0.804 nan 8.210 nan 0.000 0.436 374 S N 5.597 121.324 115.700 0.045 0.000 2.638 374 S HA 0.881 5.328 4.470 -0.037 0.000 0.274 374 S C -0.938 173.767 174.600 0.174 0.000 1.157 374 S CA -0.727 57.446 58.200 -0.044 0.000 0.826 374 S CB 2.573 65.457 63.200 -0.528 0.000 1.139 374 S HN 0.544 nan 8.310 nan 0.000 0.474 375 F N -1.206 118.708 119.950 -0.061 0.000 2.686 375 F HA 0.884 5.388 4.527 -0.037 0.000 0.311 375 F C -2.231 173.662 175.800 0.154 0.000 1.128 375 F CA -1.616 56.451 58.000 0.112 0.000 0.946 375 F CB 0.894 40.016 39.000 0.205 0.000 1.336 375 F HN 0.623 nan 8.300 nan 0.000 0.457 376 F N 0.987 120.985 119.950 0.080 0.000 2.540 376 F HA 0.699 5.203 4.527 -0.038 0.000 0.317 376 F C -0.164 175.766 175.800 0.217 0.000 1.104 376 F CA -0.387 57.634 58.000 0.036 0.000 0.913 376 F CB 2.324 41.371 39.000 0.079 0.000 1.170 376 F HN 0.871 nan 8.300 nan 0.000 0.450 377 T N 2.054 116.830 114.554 0.370 0.000 2.916 377 T HA 0.666 4.994 4.350 -0.037 0.000 0.292 377 T C -1.205 173.755 174.700 0.433 0.000 1.055 377 T CA -0.331 62.055 62.100 0.477 0.000 1.009 377 T CB 1.387 70.574 68.868 0.531 0.000 1.118 377 T HN 0.569 nan 8.240 nan 0.000 0.497 378 T N 4.369 119.140 114.554 0.363 0.000 2.840 378 T HA 0.561 4.888 4.350 -0.037 0.000 0.287 378 T C -0.841 173.909 174.700 0.084 0.000 0.991 378 T CA -0.581 61.639 62.100 0.199 0.000 0.964 378 T CB 0.546 69.503 68.868 0.148 0.000 0.954 378 T HN 0.426 nan 8.240 nan 0.000 0.438 379 I N 3.593 124.161 120.570 -0.003 0.000 2.495 379 I HA 0.431 4.578 4.170 -0.037 0.000 0.277 379 I C 1.224 177.184 176.117 -0.261 0.000 1.045 379 I CA -0.078 61.100 61.300 -0.203 0.000 1.135 379 I CB -0.017 37.931 38.000 -0.086 0.000 1.241 379 I HN 0.949 nan 8.210 nan 0.000 0.469 380 G N 7.218 115.850 108.800 -0.280 0.000 2.574 380 G HA2 -0.306 3.632 3.960 -0.037 0.000 0.301 380 G HA3 -0.306 3.632 3.960 -0.037 0.000 0.301 380 G C 0.392 175.200 174.900 -0.153 0.000 1.166 380 G CA 0.513 45.520 45.100 -0.155 0.000 0.971 380 G HN 0.704 nan 8.290 nan 0.000 0.542 384 Y N 0.237 120.536 120.300 -0.001 0.000 2.425 384 Y HA 0.708 5.236 4.550 -0.037 0.000 0.344 384 Y C 0.724 175.915 175.900 -1.181 0.000 0.969 384 Y CA -1.097 56.755 58.100 -0.413 0.000 1.052 384 Y CB 2.551 40.905 38.460 -0.178 0.000 1.215 384 Y HN 0.456 nan 8.280 nan 0.000 0.451 385 G N 2.336 110.334 108.800 -1.337 0.000 2.372 385 G HA2 0.598 4.536 3.960 -0.037 0.000 0.323 385 G HA3 0.598 4.536 3.960 -0.037 0.000 0.323 385 G C -1.683 172.789 174.900 -0.715 0.000 1.152 385 G CA -0.420 43.849 45.100 -1.385 0.000 0.906 385 G HN 0.338 nan 8.290 nan 0.000 0.460 386 F N 1.457 120.937 119.950 -0.785 0.000 2.426 386 F HA 0.506 5.010 4.527 -0.038 0.000 0.348 386 F C -0.721 174.753 175.800 -0.544 0.000 1.124 386 F CA -0.829 56.926 58.000 -0.409 0.000 1.008 386 F CB 1.888 40.772 39.000 -0.193 0.000 1.139 386 F HN 0.311 nan 8.300 nan 0.000 0.452 387 Y N 1.301 121.261 120.300 -0.568 0.000 2.391 387 Y HA 0.446 4.973 4.550 -0.038 0.000 0.341 387 Y C -1.139 174.097 175.900 -1.106 0.000 0.965 387 Y CA -1.567 56.118 58.100 -0.692 0.000 1.067 387 Y CB 1.455 39.438 38.460 -0.794 0.000 1.199 387 Y HN 0.522 nan 8.280 nan 0.000 0.450 388 W N 3.321 124.308 121.300 -0.520 0.000 2.573 388 W HA 0.628 5.266 4.660 -0.037 0.000 0.326 388 W C -1.436 174.674 176.519 -0.682 0.000 1.049 388 W CA -0.732 56.324 57.345 -0.482 0.000 1.220 388 W CB 1.200 30.540 29.460 -0.201 0.000 1.373 388 W HN 0.323 nan 8.180 nan 0.000 0.507 389 Y N 2.883 123.080 120.300 -0.172 0.000 2.462 389 Y HA 0.660 5.187 4.550 -0.038 0.000 0.346 389 Y C -0.312 175.269 175.900 -0.533 0.000 0.976 389 Y CA -1.627 56.177 58.100 -0.492 0.000 1.044 389 Y CB 1.222 39.267 38.460 -0.691 0.000 1.230 389 Y HN 0.060 nan 8.280 nan 0.000 0.455 390 L N 3.917 124.790 121.223 -0.584 0.000 2.356 390 L HA 0.530 4.848 4.340 -0.037 0.000 0.277 390 L C -1.238 175.433 176.870 -0.331 0.000 0.996 390 L CA -0.852 53.598 54.840 -0.650 0.000 0.822 390 L CB 1.327 42.700 42.059 -1.144 0.000 1.256 390 L HN 0.597 nan 8.230 nan 0.000 0.413 391 Y N 1.793 122.256 120.300 0.271 0.000 2.496 391 Y HA 0.323 4.850 4.550 -0.037 0.000 0.331 391 Y C 1.202 177.565 175.900 0.772 0.000 1.140 391 Y CA -0.733 57.641 58.100 0.457 0.000 1.166 391 Y CB 1.421 40.040 38.460 0.265 0.000 1.249 391 Y HN 0.439 nan 8.280 nan 0.000 0.479 392 L N 0.691 122.346 121.223 0.720 0.000 2.043 392 L HA -0.236 4.082 4.340 -0.037 0.000 0.212 392 L C 1.769 178.880 176.870 0.403 0.000 1.075 392 L CA 1.893 57.002 54.840 0.449 0.000 0.752 392 L CB -0.356 41.855 42.059 0.253 0.000 0.891 392 L HN 0.782 nan 8.230 nan 0.000 0.432 393 D N -0.496 120.115 120.400 0.352 0.000 2.378 393 D HA -0.037 4.581 4.640 -0.037 0.000 0.227 393 D C 1.414 177.804 176.300 0.151 0.000 1.012 393 D CA 0.961 55.060 54.000 0.164 0.000 0.905 393 D CB 0.190 41.057 40.800 0.113 0.000 0.895 393 D HN 0.391 nan 8.370 nan 0.000 0.532 394 G N -0.706 108.367 108.800 0.456 0.000 2.179 394 G HA2 -0.232 3.705 3.960 -0.037 0.000 0.220 394 G HA3 -0.232 3.705 3.960 -0.037 0.000 0.220 394 G C 0.360 175.755 174.900 0.825 0.000 0.990 394 G CA 0.166 45.568 45.100 0.504 0.000 0.646 394 G HN 0.451 nan 8.290 nan 0.000 0.517 395 T N 1.330 116.288 114.554 0.674 0.000 2.884 395 T HA 0.570 4.897 4.350 -0.037 0.000 0.298 395 T C 0.520 175.605 174.700 0.642 0.000 0.998 395 T CA 0.432 62.868 62.100 0.560 0.000 1.124 395 T CB 1.278 70.299 68.868 0.254 0.000 0.931 395 T HN 0.333 nan 8.240 nan 0.000 0.531 396 I N 2.605 123.470 120.570 0.493 0.000 2.433 396 I HA 0.497 4.644 4.170 -0.037 0.000 0.292 396 I C 0.146 176.422 176.117 0.266 0.000 1.001 396 I CA -0.608 60.871 61.300 0.297 0.000 1.119 396 I CB 1.857 40.004 38.000 0.246 0.000 1.289 396 I HN 0.594 nan 8.210 nan 0.000 0.438 397 E N 5.440 125.747 120.200 0.178 0.000 2.356 397 E HA 0.477 4.805 4.350 -0.037 0.000 0.275 397 E C -2.017 174.401 176.600 -0.304 0.000 0.904 397 E CA -0.650 55.749 56.400 -0.001 0.000 0.757 397 E CB 2.709 32.553 29.700 0.239 0.000 1.232 397 E HN 0.411 nan 8.360 nan 0.000 0.442 398 F N 2.322 121.688 119.950 -0.975 0.000 2.532 398 F HA 0.532 5.036 4.527 -0.038 0.000 0.321 398 F C -1.185 174.061 175.800 -0.922 0.000 1.089 398 F CA -0.558 56.658 58.000 -1.306 0.000 0.926 398 F CB 1.816 39.689 39.000 -1.878 0.000 1.168 398 F HN 0.501 nan 8.300 nan 0.000 0.459 399 E N 4.132 123.118 120.200 -2.022 0.000 2.278 399 E HA 0.669 4.997 4.350 -0.037 0.000 0.272 399 E C -1.930 173.776 176.600 -1.491 0.000 0.890 399 E CA -0.905 54.702 56.400 -1.321 0.000 0.770 399 E CB 1.691 31.060 29.700 -0.552 0.000 1.212 399 E HN 0.883 nan 8.360 nan 0.000 0.415 400 A N 4.532 126.712 122.820 -1.067 0.000 2.305 400 A HA 0.560 4.857 4.320 -0.037 0.000 0.322 400 A C -0.744 176.585 177.584 -0.426 0.000 1.187 400 A CA -0.672 50.896 52.037 -0.782 0.000 0.825 400 A CB 0.813 19.267 19.000 -0.911 0.000 1.164 400 A HN 0.552 nan 8.150 nan 0.000 0.498 401 K N 1.663 121.880 120.400 -0.305 0.000 2.394 401 K HA 0.561 4.859 4.320 -0.037 0.000 0.260 401 K C -0.637 175.916 176.600 -0.080 0.000 0.967 401 K CA -0.284 55.916 56.287 -0.145 0.000 0.855 401 K CB 2.081 34.555 32.500 -0.043 0.000 1.101 401 K HN 0.740 nan 8.250 nan 0.000 0.433 402 A N 2.545 125.343 122.820 -0.037 0.000 2.276 402 A HA 0.564 4.861 4.320 -0.037 0.000 0.316 402 A C -0.054 177.475 177.584 -0.091 0.000 1.229 402 A CA -0.212 51.788 52.037 -0.062 0.000 0.851 402 A CB 1.281 20.209 19.000 -0.120 0.000 1.165 402 A HN 0.682 nan 8.150 nan 0.000 0.513 403 T N 0.768 115.239 114.554 -0.137 0.000 2.587 403 T HA 0.801 5.129 4.350 -0.037 0.000 0.282 403 T C 0.343 174.932 174.700 -0.185 0.000 1.018 403 T CA 1.036 63.076 62.100 -0.099 0.000 1.120 403 T CB 0.699 69.566 68.868 -0.002 0.000 1.538 403 T HN 2.647 nan 8.240 nan 0.000 0.480 404 G N -0.171 108.523 108.800 -0.178 0.000 2.416 404 G HA2 0.053 3.991 3.960 -0.037 0.000 0.203 404 G HA3 0.053 3.991 3.960 -0.037 0.000 0.203 404 G C -1.273 173.480 174.900 -0.244 0.000 1.227 404 G CA -0.209 44.755 45.100 -0.227 0.000 1.041 404 G HN 1.321 nan 8.290 nan 0.000 0.546 405 V N 0.465 120.202 119.914 -0.296 0.000 2.495 405 V HA 0.577 4.675 4.120 -0.037 0.000 0.298 405 V C 0.972 176.949 176.094 -0.195 0.000 1.031 405 V CA -0.681 61.461 62.300 -0.264 0.000 0.871 405 V CB 1.487 33.084 31.823 -0.376 0.000 0.988 405 V HN 0.942 nan 8.190 nan 0.000 0.432 406 V N 4.564 124.511 119.914 0.056 0.000 2.763 406 V HA 0.019 4.116 4.120 -0.037 0.000 0.306 406 V C 0.071 176.257 176.094 0.153 0.000 1.059 406 V CA 0.242 62.645 62.300 0.173 0.000 1.138 406 V CB 0.360 32.374 31.823 0.318 0.000 0.940 406 V HN 0.675 nan 8.190 nan 0.000 0.489 407 F N 5.106 125.080 119.950 0.040 0.000 2.467 407 F HA 0.399 4.907 4.527 -0.032 0.000 0.362 407 F C 0.897 176.824 175.800 0.212 0.000 1.090 407 F CA -0.118 57.931 58.000 0.081 0.000 1.202 407 F CB 0.798 39.811 39.000 0.022 0.000 1.113 407 F HN 0.706 nan 8.300 nan 0.000 0.541 408 T N 1.773 116.303 114.554 -0.040 0.000 2.937 408 T HA 0.830 5.158 4.350 -0.037 0.000 0.283 408 T C -0.207 174.515 174.700 0.036 0.000 1.012 408 T CA -0.243 61.897 62.100 0.068 0.000 0.997 408 T CB 1.596 70.502 68.868 0.063 0.000 1.136 408 T HN 0.739 nan 8.240 nan 0.000 0.551 409 S N -0.568 115.130 115.700 -0.003 0.000 2.727 409 S HA 0.775 5.223 4.470 -0.037 0.000 0.278 409 S C -0.644 173.895 174.600 -0.100 0.000 1.186 409 S CA -0.815 57.334 58.200 -0.085 0.000 0.836 409 S CB 0.762 63.922 63.200 -0.066 0.000 1.186 409 S HN 1.399 nan 8.310 nan 0.000 0.499 410 A N 0.451 123.160 122.820 -0.186 0.000 2.322 410 A HA 0.693 4.990 4.320 -0.037 0.000 0.269 410 A C -0.789 176.797 177.584 0.004 0.000 1.094 410 A CA -0.418 51.566 52.037 -0.088 0.000 0.807 410 A CB -0.150 18.770 19.000 -0.133 0.000 1.047 410 A HN 0.963 nan 8.150 nan 0.000 0.487 411 F N 3.038 122.963 119.950 -0.041 0.000 2.391 411 F HA 0.517 5.019 4.527 -0.041 0.000 0.359 411 F C -2.115 173.712 175.800 0.044 0.000 1.122 411 F CA -2.589 55.397 58.000 -0.023 0.000 1.120 411 F CB 0.845 39.828 39.000 -0.029 0.000 1.142 411 F HN 0.311 nan 8.300 nan 0.000 0.483 412 P HA -0.043 nan 4.420 nan 0.000 0.266 412 P C -0.780 176.342 177.300 -0.297 0.000 1.195 412 P CA -0.048 62.896 63.100 -0.260 0.000 0.768 412 P CB 0.436 31.965 31.700 -0.284 0.000 0.838 413 E N 2.140 122.279 120.200 -0.102 0.000 2.366 413 E HA 0.212 4.539 4.350 -0.037 0.000 0.266 413 E C 0.816 177.360 176.600 -0.093 0.000 1.015 413 E CA 0.571 56.934 56.400 -0.062 0.000 0.906 413 E CB -0.482 29.192 29.700 -0.044 0.000 0.979 413 E HN 0.779 nan 8.360 nan 0.000 0.443 414 G N 2.933 111.695 108.800 -0.062 0.000 2.159 414 G HA2 -0.154 3.783 3.960 -0.037 0.000 0.227 414 G HA3 -0.154 3.783 3.960 -0.037 0.000 0.227 414 G C 0.612 175.463 174.900 -0.082 0.000 0.986 414 G CA 0.011 45.080 45.100 -0.052 0.000 0.651 414 G HN 1.426 nan 8.290 nan 0.000 0.523 415 G N -1.483 107.202 108.800 -0.192 0.000 2.782 415 G HA2 0.386 4.324 3.960 -0.037 0.000 0.228 415 G HA3 0.386 4.324 3.960 -0.037 0.000 0.228 415 G C -0.122 174.563 174.900 -0.358 0.000 1.372 415 G CA 0.902 45.859 45.100 -0.239 0.000 0.862 415 G HN 2.208 nan 8.290 nan 0.000 0.547 416 S N -1.421 114.163 115.700 -0.194 0.000 2.537 416 S HA 0.584 5.032 4.470 -0.037 0.000 0.271 416 S C -0.142 174.433 174.600 -0.041 0.000 1.148 416 S CA 0.395 58.494 58.200 -0.168 0.000 0.868 416 S CB 1.751 64.781 63.200 -0.284 0.000 1.115 416 S HN 0.599 nan 8.310 nan 0.000 0.461 417 D N 2.337 122.710 120.400 -0.044 0.000 2.349 417 D HA 0.174 4.792 4.640 -0.037 0.000 0.215 417 D C 0.378 176.673 176.300 -0.008 0.000 1.016 417 D CA 0.592 54.614 54.000 0.036 0.000 0.870 417 D CB 0.018 40.846 40.800 0.046 0.000 0.917 417 D HN 0.621 nan 8.370 nan 0.000 0.524 418 N N -0.613 117.906 118.700 -0.301 0.000 2.184 418 N HA 0.271 4.989 4.740 -0.037 0.000 0.234 418 N C -0.397 174.375 175.510 -1.230 0.000 1.282 418 N CA -0.018 52.645 53.050 -0.646 0.000 0.877 418 N CB 1.668 40.033 38.487 -0.203 0.000 1.184 418 N HN -0.011 nan 8.380 nan 0.000 0.510 419 I N 0.247 120.204 120.570 -1.023 0.000 2.752 419 I HA 0.339 4.487 4.170 -0.037 0.000 0.295 419 I C -0.783 175.328 176.117 -0.010 0.000 1.219 419 I CA -0.998 60.002 61.300 -0.500 0.000 1.030 419 I CB 2.244 40.182 38.000 -0.104 0.000 1.259 419 I HN -0.051 nan 8.210 nan 0.000 0.423 420 S N 3.519 119.374 115.700 0.258 0.000 2.578 420 S HA 0.527 4.974 4.470 -0.037 0.000 0.301 420 S C -0.754 173.806 174.600 -0.067 0.000 1.091 420 S CA -0.803 57.565 58.200 0.280 0.000 1.032 420 S CB 2.057 65.505 63.200 0.414 0.000 1.064 420 S HN 0.670 nan 8.310 nan 0.000 0.508 421 Q N 1.040 120.476 119.800 -0.606 0.000 2.267 421 Q HA 0.442 4.759 4.340 -0.037 0.000 0.255 421 Q C -0.153 175.636 176.000 -0.353 0.000 0.923 421 Q CA -0.474 54.829 55.803 -0.833 0.000 0.925 421 Q CB 0.737 28.617 28.738 -1.429 0.000 1.195 421 Q HN 0.873 nan 8.270 nan 0.000 0.417 422 L N 2.175 123.223 121.223 -0.291 0.000 2.467 422 L HA 0.512 4.830 4.340 -0.037 0.000 0.213 422 L C 0.374 177.102 176.870 -0.238 0.000 1.053 422 L CA 0.199 54.905 54.840 -0.224 0.000 0.847 422 L CB 0.538 42.385 42.059 -0.354 0.000 1.075 422 L HN 0.652 nan 8.230 nan 0.000 0.479 423 A N -1.088 121.548 122.820 -0.307 0.000 2.588 423 A HA 0.649 4.947 4.320 -0.037 0.000 0.290 423 A C -2.706 174.792 177.584 -0.143 0.000 1.136 423 A CA -1.104 50.817 52.037 -0.194 0.000 0.681 423 A CB 0.442 19.291 19.000 -0.251 0.000 1.282 423 A HN -0.222 nan 8.150 nan 0.000 0.421 424 P HA 0.285 nan 4.420 nan 0.000 0.261 424 P C 0.978 178.280 177.300 0.003 0.000 1.203 424 P CA 2.291 65.382 63.100 -0.016 0.000 0.767 424 P CB 0.326 32.034 31.700 0.013 0.000 0.785 425 G N 2.374 111.203 108.800 0.049 0.000 2.212 425 G HA2 -0.281 3.656 3.960 -0.037 0.000 0.266 425 G HA3 -0.281 3.656 3.960 -0.037 0.000 0.266 425 G C -0.135 174.809 174.900 0.072 0.000 0.978 425 G CA -0.148 45.012 45.100 0.100 0.000 0.632 425 G HN 0.560 nan 8.290 nan 0.000 0.537 426 L N 1.825 123.024 121.223 -0.038 0.000 2.275 426 L HA 0.772 5.090 4.340 -0.037 0.000 0.288 426 L C 0.723 177.533 176.870 -0.100 0.000 1.046 426 L CA 0.213 54.967 54.840 -0.143 0.000 0.805 426 L CB 1.128 42.955 42.059 -0.387 0.000 1.193 426 L HN 0.392 nan 8.230 nan 0.000 0.426 427 G N 3.379 112.175 108.800 -0.005 0.000 2.489 427 G HA2 0.763 4.700 3.960 -0.037 0.000 0.327 427 G HA3 0.763 4.700 3.960 -0.037 0.000 0.327 427 G C -1.627 173.308 174.900 0.058 0.000 1.189 427 G CA -0.344 44.822 45.100 0.109 0.000 0.962 427 G HN 0.931 nan 8.290 nan 0.000 0.486 428 A N 2.083 124.987 122.820 0.140 0.000 2.466 428 A HA 0.751 5.048 4.320 -0.037 0.000 0.291 428 A C -2.648 175.109 177.584 0.288 0.000 1.234 428 A CA -1.387 50.784 52.037 0.224 0.000 0.752 428 A CB 1.562 20.709 19.000 0.245 0.000 1.153 428 A HN 0.473 nan 8.150 nan 0.000 0.458 429 P HA 0.185 nan 4.420 nan 0.000 0.268 429 P C -0.477 177.112 177.300 0.481 0.000 1.205 429 P CA 0.160 63.414 63.100 0.257 0.000 0.771 429 P CB 0.348 32.217 31.700 0.282 0.000 0.858 430 F N 3.306 123.382 119.950 0.210 0.000 2.553 430 F HA 0.168 4.674 4.527 -0.035 0.000 0.356 430 F C 1.681 177.423 175.800 -0.096 0.000 1.142 430 F CA 0.573 58.597 58.000 0.040 0.000 1.322 430 F CB -0.543 38.508 39.000 0.084 0.000 1.126 430 F HN 0.516 nan 8.300 nan 0.000 0.599 431 H N -0.243 118.679 119.070 -0.247 0.000 2.902 431 H HA 0.506 5.040 4.556 -0.037 0.000 0.297 431 H C -1.833 173.178 175.328 -0.529 0.000 1.406 431 H CA -1.132 54.553 56.048 -0.604 0.000 1.134 431 H CB 1.426 30.390 29.762 -1.330 0.000 1.833 431 H HN 0.580 nan 8.280 nan 0.000 0.527 432 Q N 0.180 119.692 119.800 -0.480 0.000 2.451 432 Q HA 0.376 4.693 4.340 -0.037 0.000 0.281 432 Q C -1.119 174.629 176.000 -0.419 0.000 1.099 432 Q CA -0.945 54.626 55.803 -0.387 0.000 0.806 432 Q CB 3.025 31.586 28.738 -0.296 0.000 1.419 432 Q HN 0.522 nan 8.270 nan 0.000 0.427 433 H N 1.567 120.530 119.070 -0.178 0.000 2.792 433 H HA 0.436 4.969 4.556 -0.038 0.000 0.298 433 H C -0.861 174.296 175.328 -0.286 0.000 1.042 433 H CA -0.235 55.672 56.048 -0.236 0.000 1.300 433 H CB 0.728 30.446 29.762 -0.072 0.000 1.431 433 H HN 0.446 nan 8.280 nan 0.000 0.496 434 I N 4.209 124.578 120.570 -0.336 0.000 2.378 434 I HA 0.232 4.379 4.170 -0.037 0.000 0.291 434 I C -0.522 175.382 176.117 -0.354 0.000 0.992 434 I CA -0.588 60.563 61.300 -0.248 0.000 1.154 434 I CB 0.983 38.846 38.000 -0.229 0.000 1.315 434 I HN 0.201 nan 8.210 nan 0.000 0.448 435 F N 3.123 122.832 119.950 -0.402 0.000 2.483 435 F HA 0.554 5.059 4.527 -0.037 0.000 0.329 435 F C 0.584 176.183 175.800 -0.336 0.000 1.064 435 F CA -0.894 56.816 58.000 -0.483 0.000 0.986 435 F CB 1.760 40.144 39.000 -1.027 0.000 1.218 435 F HN 0.263 nan 8.300 nan 0.000 0.484 436 S N 1.032 116.761 115.700 0.049 0.000 2.707 436 S HA 0.775 5.222 4.470 -0.037 0.000 0.303 436 S C -0.980 173.726 174.600 0.175 0.000 1.132 436 S CA -0.536 57.728 58.200 0.107 0.000 1.046 436 S CB 0.506 63.598 63.200 -0.180 0.000 1.004 436 S HN 0.853 nan 8.310 nan 0.000 0.483 437 A N 4.821 127.811 122.820 0.284 0.000 2.289 437 A HA 0.633 4.930 4.320 -0.037 0.000 0.298 437 A C 0.140 177.769 177.584 0.075 0.000 1.208 437 A CA -0.662 51.510 52.037 0.226 0.000 0.845 437 A CB 0.403 19.526 19.000 0.206 0.000 1.125 437 A HN 0.845 nan 8.150 nan 0.000 0.517 438 R N 3.362 123.836 120.500 -0.043 0.000 2.229 438 R HA 0.546 4.863 4.340 -0.037 0.000 0.332 438 R C -1.605 174.507 176.300 -0.314 0.000 0.989 438 R CA -0.345 55.520 56.100 -0.391 0.000 0.842 438 R CB 0.318 30.257 30.300 -0.602 0.000 1.119 438 R HN 0.717 nan 8.270 nan 0.000 0.456 439 L N 4.377 125.402 121.223 -0.329 0.000 2.324 439 L HA 0.269 4.586 4.340 -0.037 0.000 0.274 439 L C -0.519 176.221 176.870 -0.215 0.000 1.012 439 L CA -0.888 53.837 54.840 -0.193 0.000 0.859 439 L CB 1.580 43.593 42.059 -0.077 0.000 1.224 439 L HN 0.528 nan 8.230 nan 0.000 0.429 440 D N 4.867 125.154 120.400 -0.189 0.000 2.402 440 D HA 0.183 4.801 4.640 -0.037 0.000 0.235 440 D C 0.134 176.409 176.300 -0.042 0.000 1.226 440 D CA -0.267 53.671 54.000 -0.103 0.000 0.918 440 D CB 0.613 41.370 40.800 -0.073 0.000 1.043 440 D HN 0.139 nan 8.370 nan 0.000 0.506 441 M N 2.271 121.861 119.600 -0.016 0.000 2.243 441 M HA 0.366 4.823 4.480 -0.037 0.000 0.341 441 M C 0.392 176.691 176.300 -0.002 0.000 1.130 441 M CA -0.461 54.829 55.300 -0.017 0.000 1.162 441 M CB 0.770 33.375 32.600 0.008 0.000 1.497 441 M HN 0.486 nan 8.290 nan 0.000 0.456 442 A N 3.558 126.308 122.820 -0.117 0.000 3.339 442 A HA 0.384 4.682 4.320 -0.037 0.000 0.219 442 A C -0.420 177.047 177.584 -0.196 0.000 0.974 442 A CA -0.542 51.321 52.037 -0.290 0.000 1.050 442 A CB 0.088 18.751 19.000 -0.562 0.000 1.271 442 A HN 0.596 nan 8.150 nan 0.000 0.565 443 I N 1.706 122.229 120.570 -0.078 0.000 2.574 443 I HA 0.061 4.208 4.170 -0.037 0.000 0.291 443 I C 0.396 176.556 176.117 0.073 0.000 1.131 443 I CA 0.860 62.183 61.300 0.037 0.000 1.352 443 I CB -0.976 37.088 38.000 0.106 0.000 1.431 443 I HN 0.493 nan 8.210 nan 0.000 0.543 444 D N 4.980 125.448 120.400 0.112 0.000 2.837 444 D HA -0.158 4.460 4.640 -0.037 0.000 0.230 444 D C 0.643 176.896 176.300 -0.078 0.000 1.152 444 D CA 1.651 55.661 54.000 0.016 0.000 0.736 444 D CB -0.728 40.050 40.800 -0.036 0.000 1.084 444 D HN 1.101 nan 8.370 nan 0.000 0.429 445 G N -2.171 106.519 108.800 -0.184 0.000 2.353 445 G HA2 -0.071 3.867 3.960 -0.037 0.000 0.615 445 G HA3 -0.071 3.867 3.960 -0.037 0.000 0.615 445 G C 0.254 174.952 174.900 -0.337 0.000 1.280 445 G CA -0.375 44.548 45.100 -0.296 0.000 1.000 445 G HN 0.039 nan 8.290 nan 0.000 0.516 446 F N 0.749 120.687 119.950 -0.019 0.000 2.710 446 F HA 0.211 4.716 4.527 -0.037 0.000 0.298 446 F C 2.245 178.041 175.800 -0.007 0.000 1.137 446 F CA 1.165 59.148 58.000 -0.029 0.000 1.444 446 F CB 0.230 39.197 39.000 -0.056 0.000 1.111 446 F HN 0.286 nan 8.300 nan 0.000 0.580 447 T N 2.334 116.967 114.554 0.132 0.000 2.978 447 T HA 0.154 4.481 4.350 -0.037 0.000 0.278 447 T C -0.075 174.671 174.700 0.078 0.000 0.945 447 T CA -0.041 62.118 62.100 0.098 0.000 1.070 447 T CB -0.729 68.179 68.868 0.067 0.000 0.948 447 T HN 0.221 nan 8.240 nan 0.000 0.617 448 N N 2.076 120.830 118.700 0.091 0.000 2.469 448 N HA 0.766 5.484 4.740 -0.037 0.000 0.286 448 N C -0.406 175.154 175.510 0.084 0.000 1.275 448 N CA -1.348 51.751 53.050 0.082 0.000 0.790 448 N CB 2.120 40.657 38.487 0.084 0.000 1.446 448 N HN 0.497 nan 8.380 nan 0.000 0.501 449 R N -1.101 119.449 120.500 0.084 0.000 2.734 449 R HA 0.697 5.015 4.340 -0.037 0.000 0.271 449 R C -2.014 174.345 176.300 0.098 0.000 1.021 449 R CA -0.818 55.333 56.100 0.086 0.000 0.893 449 R CB 1.034 31.379 30.300 0.075 0.000 1.244 449 R HN 0.193 nan 8.270 nan 0.000 0.464 450 V N 0.821 120.799 119.914 0.108 0.000 2.656 450 V HA 0.436 4.533 4.120 -0.037 0.000 0.307 450 V C -0.709 175.471 176.094 0.143 0.000 1.051 450 V CA -0.730 61.651 62.300 0.135 0.000 0.893 450 V CB 1.932 33.841 31.823 0.144 0.000 0.999 450 V HN 0.764 nan 8.190 nan 0.000 0.426 451 E N 2.156 122.449 120.200 0.155 0.000 2.222 451 E HA 0.441 4.769 4.350 -0.037 0.000 0.267 451 E C -1.013 175.680 176.600 0.154 0.000 0.884 451 E CA -0.666 55.811 56.400 0.129 0.000 0.764 451 E CB 2.859 32.602 29.700 0.073 0.000 1.169 451 E HN 0.732 nan 8.360 nan 0.000 0.413 452 E N 2.621 122.896 120.200 0.126 0.000 2.167 452 E HA 0.082 4.409 4.350 -0.037 0.000 0.284 452 E C -1.010 175.510 176.600 -0.133 0.000 1.016 452 E CA -0.274 56.108 56.400 -0.030 0.000 0.817 452 E CB 0.938 30.692 29.700 0.089 0.000 1.080 452 E HN 0.397 nan 8.360 nan 0.000 0.397 453 E N 4.226 124.273 120.200 -0.255 0.000 2.151 453 E HA 0.190 4.517 4.350 -0.037 0.000 0.275 453 E C -1.276 175.202 176.600 -0.204 0.000 0.936 453 E CA -0.796 55.500 56.400 -0.172 0.000 0.777 453 E CB 0.999 30.619 29.700 -0.134 0.000 1.108 453 E HN 0.423 nan 8.360 nan 0.000 0.401 454 D N 2.461 122.788 120.400 -0.122 0.000 2.342 454 D HA 0.266 4.884 4.640 -0.037 0.000 0.243 454 D C -0.612 175.661 176.300 -0.046 0.000 1.019 454 D CA -0.546 53.394 54.000 -0.101 0.000 0.864 454 D CB 2.188 42.943 40.800 -0.075 0.000 1.315 454 D HN 0.151 nan 8.370 nan 0.000 0.468 455 V N 1.478 121.369 119.914 -0.038 0.000 2.715 455 V HA 0.215 4.312 4.120 -0.037 0.000 0.299 455 V C 0.166 176.269 176.094 0.016 0.000 1.054 455 V CA -0.252 62.051 62.300 0.006 0.000 1.077 455 V CB 1.439 33.242 31.823 -0.034 0.000 0.972 455 V HN 0.260 nan 8.190 nan 0.000 0.484 456 V N 6.262 126.215 119.914 0.064 0.000 2.409 456 V HA 0.449 4.547 4.120 -0.037 0.000 0.291 456 V C 0.212 176.360 176.094 0.090 0.000 1.020 456 V CA -0.800 61.533 62.300 0.055 0.000 0.848 456 V CB 1.605 33.457 31.823 0.048 0.000 0.990 456 V HN 0.811 nan 8.190 nan 0.000 0.430 457 R N 3.522 124.055 120.500 0.054 0.000 2.459 457 R HA 0.564 4.881 4.340 -0.037 0.000 0.281 457 R C -0.552 175.785 176.300 0.061 0.000 1.050 457 R CA -0.482 55.656 56.100 0.064 0.000 1.055 457 R CB 1.173 31.486 30.300 0.023 0.000 1.045 457 R HN 0.674 nan 8.270 nan 0.000 0.495 458 Q N 0.494 120.338 119.800 0.074 0.000 2.345 458 Q HA 0.304 4.621 4.340 -0.037 0.000 0.268 458 Q C -0.788 175.235 176.000 0.038 0.000 1.054 458 Q CA -0.714 55.119 55.803 0.050 0.000 0.835 458 Q CB 2.581 31.348 28.738 0.049 0.000 1.339 458 Q HN 0.467 nan 8.270 nan 0.000 0.447 459 T N 1.927 116.497 114.554 0.026 0.000 2.856 459 T HA 0.273 4.600 4.350 -0.037 0.000 0.292 459 T C 0.034 174.745 174.700 0.018 0.000 0.980 459 T CA -0.470 61.642 62.100 0.019 0.000 1.091 459 T CB 0.547 69.424 68.868 0.014 0.000 0.936 459 T HN 0.479 nan 8.240 nan 0.000 0.503 460 M N 3.052 122.662 119.600 0.017 0.000 2.252 460 M HA 0.434 4.892 4.480 -0.037 0.000 0.348 460 M C 0.510 176.816 176.300 0.010 0.000 1.334 460 M CA 0.962 56.270 55.300 0.014 0.000 1.071 460 M CB -0.471 32.137 32.600 0.013 0.000 1.763 460 M HN 0.935 nan 8.290 nan 0.000 0.452 461 G N 4.410 113.215 108.800 0.008 0.000 2.344 461 G HA2 0.227 4.165 3.960 -0.037 0.000 0.282 461 G HA3 0.227 4.165 3.960 -0.037 0.000 0.282 461 G C -3.396 171.506 174.900 0.003 0.000 1.281 461 G CA -1.128 43.975 45.100 0.005 0.000 0.877 461 G HN 0.410 nan 8.290 nan 0.000 0.494 462 P HA 0.321 nan 4.420 nan 0.000 0.261 462 P C 0.998 178.297 177.300 -0.001 0.000 1.183 462 P CA 2.304 65.404 63.100 0.000 0.000 0.761 462 P CB 0.761 32.462 31.700 0.000 0.000 0.785 463 G N 2.922 111.720 108.800 -0.003 0.000 2.225 463 G HA2 -0.272 3.666 3.960 -0.037 0.000 0.254 463 G HA3 -0.272 3.666 3.960 -0.037 0.000 0.254 463 G C 0.537 175.434 174.900 -0.006 0.000 0.988 463 G CA 0.321 45.418 45.100 -0.005 0.000 0.625 463 G HN 0.647 nan 8.290 nan 0.000 0.527 464 N N 0.186 118.885 118.700 -0.001 0.000 2.636 464 N HA 0.373 5.091 4.740 -0.037 0.000 0.287 464 N C 0.948 176.461 175.510 0.005 0.000 1.817 464 N CA 0.410 53.461 53.050 0.001 0.000 0.842 464 N CB 0.471 38.961 38.487 0.006 0.000 1.353 464 N HN 0.184 nan 8.380 nan 0.000 0.500 465 E N 0.045 120.247 120.200 0.002 0.000 2.160 465 E HA -0.027 4.301 4.350 -0.037 0.000 0.195 465 E C 1.176 177.779 176.600 0.006 0.000 0.991 465 E CA 1.191 57.594 56.400 0.004 0.000 0.810 465 E CB 0.118 29.819 29.700 0.002 0.000 0.742 465 E HN 0.376 nan 8.360 nan 0.000 0.466 466 R N -0.607 119.898 120.500 0.007 0.000 2.310 466 R HA 0.127 4.445 4.340 -0.037 0.000 0.202 466 R C 0.731 177.041 176.300 0.016 0.000 0.933 466 R CA 0.503 56.609 56.100 0.010 0.000 1.054 466 R CB 0.234 30.540 30.300 0.009 0.000 0.985 466 R HN 0.233 nan 8.270 nan 0.000 0.489 467 G N 2.573 111.383 108.800 0.018 0.000 2.305 467 G HA2 -0.292 3.645 3.960 -0.037 0.000 0.287 467 G HA3 -0.292 3.645 3.960 -0.037 0.000 0.287 467 G C 0.411 175.336 174.900 0.041 0.000 1.036 467 G CA 0.740 45.856 45.100 0.026 0.000 0.887 467 G HN 0.576 nan 8.290 nan 0.000 0.505 468 N N -0.707 118.019 118.700 0.044 0.000 2.273 468 N HA 0.375 5.093 4.740 -0.037 0.000 0.192 468 N C 1.081 176.649 175.510 0.097 0.000 1.132 468 N CA 0.710 53.802 53.050 0.069 0.000 0.887 468 N CB 0.065 38.580 38.487 0.047 0.000 1.048 468 N HN 0.966 nan 8.380 nan 0.000 0.490 469 A N 0.981 123.832 122.820 0.051 0.000 2.445 469 A HA 0.458 4.756 4.320 -0.037 0.000 0.242 469 A C -0.479 177.180 177.584 0.125 0.000 1.075 469 A CA -0.213 51.831 52.037 0.013 0.000 0.777 469 A CB -0.362 18.628 19.000 -0.016 0.000 1.013 469 A HN 0.468 nan 8.150 nan 0.000 0.493 470 F N 0.140 120.085 119.950 -0.008 0.000 2.641 470 F HA 0.795 5.300 4.527 -0.037 0.000 0.308 470 F C -0.309 175.484 175.800 -0.011 0.000 1.105 470 F CA -0.479 57.515 58.000 -0.010 0.000 0.964 470 F CB 0.980 39.973 39.000 -0.011 0.000 1.294 470 F HN 0.588 nan 8.300 nan 0.000 0.442 471 S N 1.128 116.943 115.700 0.192 0.000 3.081 471 S HA 0.849 5.297 4.470 -0.037 0.000 0.316 471 S C -1.450 173.234 174.600 0.139 0.000 1.089 471 S CA -0.838 57.406 58.200 0.073 0.000 0.897 471 S CB 1.468 64.680 63.200 0.020 0.000 1.358 471 S HN 1.105 nan 8.310 nan 0.000 0.678 472 R N 0.662 121.200 120.500 0.064 0.000 2.680 472 R HA 0.613 4.930 4.340 -0.037 0.000 0.269 472 R C -1.971 174.339 176.300 0.017 0.000 1.026 472 R CA -0.917 55.211 56.100 0.046 0.000 0.889 472 R CB 1.326 31.650 30.300 0.040 0.000 1.241 472 R HN 0.694 nan 8.270 nan 0.000 0.463 473 K N 1.818 122.219 120.400 0.002 0.000 2.426 473 K HA 0.582 4.879 4.320 -0.037 0.000 0.251 473 K C -1.141 175.451 176.600 -0.013 0.000 0.941 473 K CA -1.117 55.169 56.287 -0.003 0.000 0.808 473 K CB 2.751 35.251 32.500 -0.000 0.000 1.265 473 K HN 0.624 nan 8.250 nan 0.000 0.432 474 R N 1.194 121.691 120.500 -0.004 0.000 2.561 474 R HA 0.373 4.690 4.340 -0.037 0.000 0.297 474 R C -1.135 175.173 176.300 0.014 0.000 0.969 474 R CA -0.925 55.175 56.100 -0.002 0.000 0.879 474 R CB 2.531 32.834 30.300 0.005 0.000 1.178 474 R HN 0.655 nan 8.270 nan 0.000 0.445 475 T N 2.116 116.685 114.554 0.024 0.000 2.791 475 T HA 0.137 4.465 4.350 -0.037 0.000 0.288 475 T C -0.459 174.278 174.700 0.062 0.000 0.999 475 T CA -0.498 61.625 62.100 0.039 0.000 0.952 475 T CB 1.630 70.522 68.868 0.041 0.000 0.938 475 T HN 0.260 nan 8.240 nan 0.000 0.444 476 V N 6.102 126.050 119.914 0.057 0.000 2.637 476 V HA 0.370 4.468 4.120 -0.037 0.000 0.296 476 V C -0.201 175.938 176.094 0.074 0.000 1.046 476 V CA -0.416 61.926 62.300 0.069 0.000 1.066 476 V CB 0.180 32.037 31.823 0.057 0.000 0.968 476 V HN 0.742 nan 8.190 nan 0.000 0.483 477 L N 7.341 128.618 121.223 0.090 0.000 2.268 477 L HA 0.302 4.620 4.340 -0.037 0.000 0.289 477 L C 1.512 178.427 176.870 0.075 0.000 1.064 477 L CA 0.136 55.028 54.840 0.085 0.000 0.824 477 L CB 0.997 43.117 42.059 0.102 0.000 1.202 477 L HN 0.937 nan 8.230 nan 0.000 0.433 478 T N -0.517 114.074 114.554 0.062 0.000 3.009 478 T HA 0.164 4.492 4.350 -0.037 0.000 0.258 478 T C 0.959 175.694 174.700 0.058 0.000 1.063 478 T CA 0.082 62.216 62.100 0.057 0.000 1.139 478 T CB 0.334 69.230 68.868 0.047 0.000 0.890 478 T HN 0.322 nan 8.240 nan 0.000 0.471 479 R N 0.653 121.188 120.500 0.057 0.000 2.837 479 R HA 0.484 4.802 4.340 -0.037 0.000 0.271 479 R C 0.607 176.946 176.300 0.065 0.000 0.993 479 R CA -0.668 55.467 56.100 0.058 0.000 0.931 479 R CB 1.222 31.550 30.300 0.047 0.000 1.206 479 R HN 0.219 nan 8.270 nan 0.000 0.474 480 E N 0.454 120.698 120.200 0.075 0.000 2.204 480 E HA -0.147 4.180 4.350 -0.037 0.000 0.195 480 E C 1.202 177.844 176.600 0.071 0.000 0.990 480 E CA 1.711 58.165 56.400 0.090 0.000 0.821 480 E CB 0.155 29.921 29.700 0.109 0.000 0.750 480 E HN 0.619 nan 8.360 nan 0.000 0.477 481 S N 0.998 116.730 115.700 0.053 0.000 2.507 481 S HA -0.154 4.294 4.470 -0.037 0.000 0.235 481 S C 1.422 176.033 174.600 0.018 0.000 0.988 481 S CA 1.121 59.343 58.200 0.036 0.000 0.944 481 S CB -0.266 62.953 63.200 0.032 0.000 0.762 481 S HN 0.457 nan 8.310 nan 0.000 0.526 482 E N -0.182 120.032 120.200 0.024 0.000 2.693 482 E HA 0.534 4.861 4.350 -0.037 0.000 0.214 482 E C 0.729 177.337 176.600 0.013 0.000 0.990 482 E CA 0.106 56.515 56.400 0.014 0.000 1.047 482 E CB 0.452 30.169 29.700 0.028 0.000 1.039 482 E HN 0.432 nan 8.360 nan 0.000 0.475 483 A N 0.982 123.808 122.820 0.010 0.000 2.507 483 A HA 0.337 4.634 4.320 -0.037 0.000 0.270 483 A C 0.161 177.690 177.584 -0.090 0.000 1.318 483 A CA -0.197 51.846 52.037 0.009 0.000 0.924 483 A CB 0.265 19.309 19.000 0.074 0.000 1.061 483 A HN 0.110 nan 8.150 nan 0.000 0.516 484 V N 2.660 122.451 119.914 -0.204 0.000 2.293 484 V HA 0.417 4.515 4.120 -0.037 0.000 0.275 484 V C -0.494 175.376 176.094 -0.374 0.000 1.021 484 V CA -0.765 61.221 62.300 -0.525 0.000 0.815 484 V CB 0.612 32.017 31.823 -0.696 0.000 1.025 484 V HN 0.462 nan 8.190 nan 0.000 0.448 485 R N 3.311 123.600 120.500 -0.351 0.000 2.787 485 R HA 0.673 4.991 4.340 -0.037 0.000 0.271 485 R C -0.176 176.075 176.300 -0.082 0.000 0.993 485 R CA -0.735 55.294 56.100 -0.117 0.000 0.993 485 R CB 2.132 32.476 30.300 0.073 0.000 1.155 485 R HN 0.893 nan 8.270 nan 0.000 0.486 486 E N 0.332 120.592 120.200 0.100 0.000 2.249 486 E HA 0.720 5.048 4.350 -0.037 0.000 0.263 486 E C -0.787 176.021 176.600 0.348 0.000 0.950 486 E CA -1.137 55.351 56.400 0.146 0.000 0.827 486 E CB 1.586 31.330 29.700 0.072 0.000 1.220 486 E HN 0.539 nan 8.360 nan 0.000 0.411 487 A N 1.121 124.139 122.820 0.329 0.000 2.366 487 A HA 0.284 4.581 4.320 -0.037 0.000 0.249 487 A C -0.305 177.378 177.584 0.166 0.000 1.084 487 A CA -0.116 52.128 52.037 0.345 0.000 0.794 487 A CB 0.366 19.551 19.000 0.309 0.000 1.034 487 A HN 0.703 nan 8.150 nan 0.000 0.491 488 D N 0.087 120.536 120.400 0.082 0.000 2.752 488 D HA 0.403 5.020 4.640 -0.037 0.000 0.242 488 D C 0.697 176.997 176.300 0.001 0.000 1.295 488 D CA 0.287 54.304 54.000 0.029 0.000 0.846 488 D CB 0.559 41.359 40.800 -0.001 0.000 1.454 488 D HN 0.477 nan 8.370 nan 0.000 0.535 489 A N 2.566 125.405 122.820 0.031 0.000 1.978 489 A HA -0.173 4.125 4.320 -0.037 0.000 0.220 489 A C 2.085 179.666 177.584 -0.005 0.000 1.170 489 A CA 1.401 53.452 52.037 0.023 0.000 0.636 489 A CB -0.222 18.805 19.000 0.046 0.000 0.810 489 A HN 0.480 nan 8.150 nan 0.000 0.448 490 R N -0.279 120.217 120.500 -0.006 0.000 2.105 490 R HA -0.130 4.187 4.340 -0.037 0.000 0.239 490 R C 1.634 177.911 176.300 -0.038 0.000 1.135 490 R CA 1.930 58.019 56.100 -0.020 0.000 0.967 490 R CB -0.321 29.972 30.300 -0.012 0.000 0.861 490 R HN 0.623 nan 8.270 nan 0.000 0.442 491 T N -3.425 111.104 114.554 -0.042 0.000 3.223 491 T HA 0.244 4.572 4.350 -0.037 0.000 0.259 491 T C 0.825 175.482 174.700 -0.073 0.000 1.015 491 T CA 0.148 62.215 62.100 -0.056 0.000 0.908 491 T CB 0.761 69.600 68.868 -0.050 0.000 1.054 491 T HN 0.361 nan 8.240 nan 0.000 0.567 492 G N 2.469 111.229 108.800 -0.066 0.000 2.341 492 G HA2 -0.350 3.587 3.960 -0.037 0.000 0.292 492 G HA3 -0.350 3.587 3.960 -0.037 0.000 0.292 492 G C 0.049 174.875 174.900 -0.125 0.000 1.021 492 G CA 0.265 45.325 45.100 -0.067 0.000 0.905 492 G HN 0.925 nan 8.290 nan 0.000 0.508 493 R N 0.471 120.860 120.500 -0.186 0.000 2.522 493 R HA 0.431 4.748 4.340 -0.037 0.000 0.284 493 R C 0.825 176.767 176.300 -0.596 0.000 1.032 493 R CA 0.957 56.825 56.100 -0.387 0.000 1.049 493 R CB 0.247 30.301 30.300 -0.409 0.000 0.956 493 R HN 0.480 nan 8.270 nan 0.000 0.422 494 T N 0.675 114.786 114.554 -0.738 0.000 2.838 494 T HA 0.526 4.853 4.350 -0.037 0.000 0.292 494 T C -1.078 173.114 174.700 -0.846 0.000 1.113 494 T CA -0.962 60.718 62.100 -0.700 0.000 1.008 494 T CB 1.235 69.868 68.868 -0.392 0.000 1.259 494 T HN 0.570 nan 8.240 nan 0.000 0.520 495 W N 0.737 121.984 121.300 -0.088 0.000 2.781 495 W HA 0.583 5.220 4.660 -0.037 0.000 0.333 495 W C -1.140 175.354 176.519 -0.042 0.000 1.047 495 W CA -1.168 56.150 57.345 -0.045 0.000 1.236 495 W CB 1.627 31.070 29.460 -0.028 0.000 1.394 495 W HN 0.586 nan 8.180 nan 0.000 0.466 496 I N 4.490 125.153 120.570 0.154 0.000 2.354 496 I HA 0.289 4.436 4.170 -0.037 0.000 0.292 496 I C -0.317 175.884 176.117 0.140 0.000 0.989 496 I CA -0.961 60.406 61.300 0.112 0.000 1.188 496 I CB 1.273 39.309 38.000 0.060 0.000 1.342 496 I HN 0.086 nan 8.210 nan 0.000 0.457 497 I N 6.190 126.848 120.570 0.146 0.000 2.312 497 I HA 0.275 4.423 4.170 -0.037 0.000 0.290 497 I C 0.363 176.561 176.117 0.135 0.000 1.008 497 I CA 0.277 61.656 61.300 0.132 0.000 1.226 497 I CB 1.200 39.270 38.000 0.116 0.000 1.371 497 I HN 0.586 nan 8.210 nan 0.000 0.468 498 S N 4.027 119.794 115.700 0.112 0.000 2.671 498 S HA 0.587 5.034 4.470 -0.037 0.000 0.299 498 S C -0.663 173.989 174.600 0.087 0.000 1.116 498 S CA -0.932 57.333 58.200 0.108 0.000 0.912 498 S CB 1.935 65.186 63.200 0.085 0.000 1.130 498 S HN 0.500 nan 8.310 nan 0.000 0.501 499 N N 1.889 120.634 118.700 0.075 0.000 2.558 499 N HA 0.375 5.093 4.740 -0.037 0.000 0.242 499 N C -1.956 173.573 175.510 0.031 0.000 0.979 499 N CA -2.334 50.745 53.050 0.048 0.000 0.931 499 N CB 1.518 40.025 38.487 0.033 0.000 1.122 499 N HN 0.400 nan 8.380 nan 0.000 0.508 500 P HA -0.048 nan 4.420 nan 0.000 0.231 500 P C -0.019 177.289 177.300 0.013 0.000 1.158 500 P CA 1.092 64.207 63.100 0.025 0.000 0.763 500 P CB 0.517 32.236 31.700 0.032 0.000 0.805 501 E N -1.057 119.148 120.200 0.010 0.000 2.498 501 E HA 0.152 4.480 4.350 -0.037 0.000 0.203 501 E C 0.109 176.699 176.600 -0.016 0.000 1.013 501 E CA -0.095 56.305 56.400 0.001 0.000 0.927 501 E CB 0.494 30.198 29.700 0.008 0.000 1.012 501 E HN -0.019 nan 8.360 nan 0.000 0.482 502 S N 1.107 116.792 115.700 -0.026 0.000 2.659 502 S HA 0.357 4.805 4.470 -0.037 0.000 0.312 502 S C -0.981 173.579 174.600 -0.067 0.000 1.114 502 S CA -0.690 57.476 58.200 -0.057 0.000 1.063 502 S CB 0.511 63.665 63.200 -0.077 0.000 0.996 502 S HN -0.033 nan 8.310 nan 0.000 0.478 503 K N 2.902 123.260 120.400 -0.070 0.000 2.203 503 K HA 0.442 4.739 4.320 -0.037 0.000 0.251 503 K C -0.093 176.453 176.600 -0.091 0.000 0.944 503 K CA -1.030 55.217 56.287 -0.066 0.000 0.829 503 K CB 1.052 33.527 32.500 -0.041 0.000 1.125 503 K HN 0.746 nan 8.250 nan 0.000 0.430 504 N N 0.733 119.381 118.700 -0.088 0.000 2.366 504 N HA 0.028 4.745 4.740 -0.037 0.000 0.277 504 N C 0.726 176.202 175.510 -0.057 0.000 1.275 504 N CA -0.407 52.587 53.050 -0.092 0.000 0.964 504 N CB 0.272 38.710 38.487 -0.082 0.000 1.167 504 N HN 0.587 nan 8.380 nan 0.000 0.568 505 R N -0.763 119.711 120.500 -0.044 0.000 2.241 505 R HA -0.000 4.317 4.340 -0.037 0.000 0.224 505 R C 0.638 176.924 176.300 -0.023 0.000 1.101 505 R CA 1.175 57.257 56.100 -0.029 0.000 0.995 505 R CB -0.718 29.570 30.300 -0.020 0.000 0.870 505 R HN 0.564 nan 8.270 nan 0.000 0.463 506 L N 1.035 122.245 121.223 -0.022 0.000 2.653 506 L HA 0.153 4.471 4.340 -0.037 0.000 0.231 506 L C 0.209 177.068 176.870 -0.018 0.000 1.153 506 L CA -0.122 54.708 54.840 -0.017 0.000 0.933 506 L CB -0.572 41.479 42.059 -0.014 0.000 1.175 506 L HN 0.414 nan 8.230 nan 0.000 0.473 507 N N 1.659 120.346 118.700 -0.023 0.000 2.758 507 N HA -0.155 4.563 4.740 -0.037 0.000 0.248 507 N C -0.469 175.030 175.510 -0.018 0.000 1.076 507 N CA 0.296 53.333 53.050 -0.021 0.000 0.696 507 N CB -0.050 38.427 38.487 -0.016 0.000 0.979 507 N HN 0.364 nan 8.380 nan 0.000 0.550 508 E N 0.279 120.466 120.200 -0.021 0.000 2.222 508 E HA 0.389 4.717 4.350 -0.037 0.000 0.267 508 E C -2.506 174.084 176.600 -0.018 0.000 0.884 508 E CA -1.730 54.662 56.400 -0.014 0.000 0.764 508 E CB 1.640 31.335 29.700 -0.009 0.000 1.169 508 E HN 0.099 nan 8.360 nan 0.000 0.413 509 P HA -0.084 nan 4.420 nan 0.000 0.261 509 P C 0.012 177.314 177.300 0.004 0.000 1.183 509 P CA 0.052 63.151 63.100 -0.002 0.000 0.761 509 P CB 0.304 32.014 31.700 0.016 0.000 0.785 510 V N 2.126 122.031 119.914 -0.016 0.000 2.843 510 V HA 0.697 4.795 4.120 -0.037 0.000 0.305 510 V C 0.589 176.769 176.094 0.144 0.000 1.065 510 V CA 0.340 62.644 62.300 0.007 0.000 1.116 510 V CB 0.308 32.037 31.823 -0.156 0.000 0.968 510 V HN 0.722 nan 8.190 nan 0.000 0.487 511 G N 2.288 111.227 108.800 0.230 0.000 2.600 511 G HA2 0.616 4.554 3.960 -0.037 0.000 0.293 511 G HA3 0.616 4.554 3.960 -0.037 0.000 0.293 511 G C -2.300 172.750 174.900 0.250 0.000 1.408 511 G CA -0.742 44.500 45.100 0.237 0.000 0.782 511 G HN 0.767 nan 8.290 nan 0.000 0.482 512 Y N -0.217 120.110 120.300 0.046 0.000 2.492 512 Y HA 0.618 5.145 4.550 -0.037 0.000 0.346 512 Y C -0.001 175.921 175.900 0.037 0.000 0.997 512 Y CA -0.837 57.275 58.100 0.019 0.000 1.025 512 Y CB 2.829 41.270 38.460 -0.031 0.000 1.263 512 Y HN 0.515 nan 8.280 nan 0.000 0.454 513 K N 3.907 124.357 120.400 0.082 0.000 2.274 513 K HA 0.536 4.834 4.320 -0.037 0.000 0.262 513 K C -1.699 174.888 176.600 -0.021 0.000 0.961 513 K CA -0.867 55.414 56.287 -0.011 0.000 0.833 513 K CB 1.042 33.463 32.500 -0.130 0.000 1.102 513 K HN 0.622 nan 8.250 nan 0.000 0.436 514 L N 5.118 126.342 121.223 0.002 0.000 2.265 514 L HA 0.283 4.601 4.340 -0.037 0.000 0.288 514 L C -1.328 175.509 176.870 -0.056 0.000 1.058 514 L CA 0.103 54.983 54.840 0.067 0.000 0.809 514 L CB 0.390 42.514 42.059 0.109 0.000 1.179 514 L HN 0.655 nan 8.230 nan 0.000 0.429 515 H N 4.554 123.730 119.070 0.178 0.000 2.581 515 H HA 0.697 5.230 4.556 -0.037 0.000 0.308 515 H C -0.013 175.450 175.328 0.225 0.000 1.040 515 H CA -0.045 56.102 56.048 0.165 0.000 1.231 515 H CB 1.235 31.081 29.762 0.141 0.000 1.396 515 H HN 0.879 nan 8.280 nan 0.000 0.467 516 A N 2.239 125.257 122.820 0.329 0.000 2.264 516 A HA 0.214 4.512 4.320 -0.037 0.000 0.304 516 A C 0.375 178.252 177.584 0.488 0.000 1.100 516 A CA -0.576 51.693 52.037 0.387 0.000 0.839 516 A CB 0.513 19.778 19.000 0.442 0.000 1.121 516 A HN 1.014 nan 8.150 nan 0.000 0.496 517 H N 0.613 119.863 119.070 0.301 0.000 2.551 517 H HA 0.010 4.543 4.556 -0.038 0.000 0.266 517 H C -0.161 175.282 175.328 0.192 0.000 0.964 517 H CA 0.241 56.413 56.048 0.206 0.000 1.180 517 H CB 0.180 30.050 29.762 0.181 0.000 1.408 517 H HN 0.744 nan 8.280 nan 0.000 0.563 518 N N 1.978 120.898 118.700 0.367 0.000 2.758 518 N HA -0.160 4.558 4.740 -0.037 0.000 0.248 518 N C -0.628 175.011 175.510 0.216 0.000 1.076 518 N CA 0.512 53.726 53.050 0.273 0.000 0.696 518 N CB -0.915 37.693 38.487 0.201 0.000 0.979 518 N HN 0.515 nan 8.380 nan 0.000 0.550 519 Q N -0.130 119.812 119.800 0.237 0.000 2.317 519 Q HA 0.382 4.699 4.340 -0.037 0.000 0.229 519 Q C -1.850 174.227 176.000 0.129 0.000 0.984 519 Q CA -1.108 54.798 55.803 0.171 0.000 0.911 519 Q CB 0.239 29.092 28.738 0.190 0.000 1.217 519 Q HN 0.127 nan 8.270 nan 0.000 0.501 520 P HA -0.008 nan 4.420 nan 0.000 0.267 520 P C -0.195 177.124 177.300 0.032 0.000 1.200 520 P CA 0.245 63.375 63.100 0.050 0.000 0.772 520 P CB 0.469 32.182 31.700 0.022 0.000 0.855 521 T N 0.195 114.763 114.554 0.023 0.000 2.924 521 T HA 0.313 4.641 4.350 -0.037 0.000 0.301 521 T C 0.282 174.947 174.700 -0.057 0.000 1.120 521 T CA -0.883 61.211 62.100 -0.009 0.000 0.940 521 T CB 0.020 68.896 68.868 0.013 0.000 1.591 521 T HN 0.173 nan 8.240 nan 0.000 0.578 522 L N 1.132 122.295 121.223 -0.099 0.000 2.628 522 L HA 0.152 4.469 4.340 -0.037 0.000 0.274 522 L C 0.891 177.720 176.870 -0.069 0.000 1.209 522 L CA 0.247 55.015 54.840 -0.120 0.000 0.930 522 L CB -0.468 41.494 42.059 -0.162 0.000 1.183 522 L HN 0.634 nan 8.230 nan 0.000 0.492 523 L N 4.973 126.156 121.223 -0.066 0.000 2.270 523 L HA 0.178 4.495 4.340 -0.037 0.000 0.210 523 L C 1.466 178.329 176.870 -0.013 0.000 1.104 523 L CA 0.287 55.110 54.840 -0.029 0.000 0.804 523 L CB -0.554 41.491 42.059 -0.023 0.000 0.937 523 L HN 0.839 nan 8.230 nan 0.000 0.450 524 A N 0.813 123.619 122.820 -0.024 0.000 2.586 524 A HA -0.128 4.170 4.320 -0.037 0.000 0.231 524 A C 0.350 177.940 177.584 0.009 0.000 1.055 524 A CA -0.022 52.014 52.037 -0.001 0.000 0.756 524 A CB -0.111 18.887 19.000 -0.003 0.000 0.988 524 A HN 0.306 nan 8.150 nan 0.000 0.509 525 D N 2.491 122.905 120.400 0.024 0.000 2.488 525 D HA 0.001 4.619 4.640 -0.037 0.000 0.238 525 D C -1.117 175.196 176.300 0.021 0.000 1.138 525 D CA -0.746 53.269 54.000 0.025 0.000 0.873 525 D CB 0.829 41.649 40.800 0.033 0.000 1.183 525 D HN 0.298 nan 8.370 nan 0.000 0.458 526 P HA -0.089 nan 4.420 nan 0.000 0.221 526 P C 0.980 178.291 177.300 0.018 0.000 1.145 526 P CA 0.837 63.946 63.100 0.015 0.000 0.795 526 P CB 0.123 31.831 31.700 0.013 0.000 0.775 527 G N -0.148 108.665 108.800 0.021 0.000 3.088 527 G HA2 0.047 3.985 3.960 -0.037 0.000 0.217 527 G HA3 0.047 3.985 3.960 -0.037 0.000 0.217 527 G C 0.616 175.534 174.900 0.029 0.000 1.159 527 G CA 0.111 45.223 45.100 0.022 0.000 0.760 527 G HN 0.433 nan 8.290 nan 0.000 0.550 528 S N -0.543 115.180 115.700 0.039 0.000 2.600 528 S HA 0.298 4.746 4.470 -0.037 0.000 0.265 528 S C 1.623 176.250 174.600 0.046 0.000 1.325 528 S CA 0.477 58.714 58.200 0.063 0.000 1.002 528 S CB 1.648 64.895 63.200 0.079 0.000 0.921 528 S HN 0.090 nan 8.310 nan 0.000 0.554 529 S N 0.628 116.360 115.700 0.054 0.000 2.356 529 S HA -0.143 4.305 4.470 -0.037 0.000 0.223 529 S C 1.703 176.309 174.600 0.010 0.000 1.032 529 S CA 1.172 59.345 58.200 -0.044 0.000 1.005 529 S CB -0.841 62.192 63.200 -0.278 0.000 0.867 529 S HN 0.713 nan 8.310 nan 0.000 0.449 530 I N 2.039 122.660 120.570 0.085 0.000 2.361 530 I HA 0.001 4.148 4.170 -0.037 0.000 0.251 530 I C 2.296 178.444 176.117 0.052 0.000 1.133 530 I CA 1.252 62.617 61.300 0.108 0.000 1.413 530 I CB -0.860 37.202 38.000 0.103 0.000 1.073 530 I HN 0.342 nan 8.210 nan 0.000 0.424 531 A N 0.330 123.165 122.820 0.025 0.000 1.969 531 A HA -0.163 4.135 4.320 -0.037 0.000 0.218 531 A C 2.435 180.025 177.584 0.010 0.000 1.169 531 A CA 1.448 53.485 52.037 0.000 0.000 0.635 531 A CB -0.517 18.487 19.000 0.006 0.000 0.810 531 A HN 0.455 nan 8.150 nan 0.000 0.445 532 R N -0.760 119.751 120.500 0.018 0.000 2.062 532 R HA 0.011 4.329 4.340 -0.037 0.000 0.226 532 R C 2.352 178.666 176.300 0.024 0.000 1.125 532 R CA 1.266 57.374 56.100 0.012 0.000 0.966 532 R CB -0.256 30.043 30.300 -0.002 0.000 0.861 532 R HN 0.447 nan 8.270 nan 0.000 0.433 533 R N 0.311 120.845 120.500 0.058 0.000 2.115 533 R HA 0.059 4.377 4.340 -0.037 0.000 0.226 533 R C 0.966 177.388 176.300 0.203 0.000 1.100 533 R CA 1.121 57.277 56.100 0.093 0.000 0.980 533 R CB 0.195 30.562 30.300 0.112 0.000 0.875 533 R HN 0.076 nan 8.270 nan 0.000 0.445 534 A N 0.236 123.182 122.820 0.210 0.000 3.041 534 A HA 0.500 4.797 4.320 -0.037 0.000 0.307 534 A C 1.142 178.644 177.584 -0.136 0.000 1.116 534 A CA -0.100 52.033 52.037 0.161 0.000 1.001 534 A CB 0.299 19.301 19.000 0.004 0.000 1.112 534 A HN 0.243 nan 8.150 nan 0.000 0.556 535 A N 0.245 123.050 122.820 -0.025 0.000 2.024 535 A HA -0.048 4.250 4.320 -0.037 0.000 0.220 535 A C 1.771 179.351 177.584 -0.007 0.000 1.164 535 A CA 1.757 53.785 52.037 -0.016 0.000 0.643 535 A CB -0.952 18.058 19.000 0.017 0.000 0.806 535 A HN 1.355 nan 8.150 nan 0.000 0.451 536 F N -0.218 119.597 119.950 -0.225 0.000 2.202 536 F HA -0.003 4.502 4.527 -0.038 0.000 0.301 536 F C 2.033 177.900 175.800 0.112 0.000 1.082 536 F CA 0.858 58.637 58.000 -0.369 0.000 1.313 536 F CB -0.907 37.771 39.000 -0.536 0.000 1.024 536 F HN 0.145 nan 8.300 nan 0.000 0.495 537 A N 0.482 122.659 122.820 -1.073 0.000 2.209 537 A HA -0.019 4.279 4.320 -0.037 0.000 0.212 537 A C 2.128 179.570 177.584 -0.238 0.000 1.158 537 A CA 1.349 52.916 52.037 -0.783 0.000 0.742 537 A CB -1.479 16.887 19.000 -1.056 0.000 0.790 537 A HN 0.588 nan 8.150 nan 0.000 0.472 538 T N -3.518 110.995 114.554 -0.069 0.000 3.088 538 T HA 0.171 4.499 4.350 -0.037 0.000 0.259 538 T C 0.639 175.365 174.700 0.043 0.000 1.122 538 T CA 0.304 62.405 62.100 0.002 0.000 1.095 538 T CB 0.093 68.980 68.868 0.031 0.000 0.930 538 T HN 0.100 nan 8.240 nan 0.000 0.508 539 K N 1.064 121.542 120.400 0.130 0.000 2.426 539 K HA 0.410 4.708 4.320 -0.037 0.000 0.251 539 K C -0.420 176.235 176.600 0.092 0.000 0.941 539 K CA -0.526 55.758 56.287 -0.005 0.000 0.808 539 K CB 2.094 34.359 32.500 -0.393 0.000 1.265 539 K HN -0.035 nan 8.250 nan 0.000 0.432 540 D N 0.316 120.729 120.400 0.020 0.000 2.194 540 D HA -0.019 4.598 4.640 -0.037 0.000 0.204 540 D C 0.012 176.351 176.300 0.065 0.000 0.964 540 D CA 0.790 54.850 54.000 0.100 0.000 0.846 540 D CB 0.299 41.207 40.800 0.180 0.000 0.962 540 D HN 0.133 nan 8.370 nan 0.000 0.490 541 L N -0.309 120.787 121.223 -0.211 0.000 2.493 541 L HA 0.452 4.769 4.340 -0.037 0.000 0.265 541 L C -2.025 174.699 176.870 -0.244 0.000 0.954 541 L CA -0.644 54.043 54.840 -0.255 0.000 0.844 541 L CB 1.477 42.946 42.059 -0.983 0.000 1.302 541 L HN -0.135 nan 8.230 nan 0.000 0.405 542 W N 4.274 125.569 121.300 -0.008 0.000 2.736 542 W HA 0.770 5.408 4.660 -0.037 0.000 0.335 542 W C -1.134 175.495 176.519 0.184 0.000 1.059 542 W CA -0.825 56.553 57.345 0.054 0.000 1.226 542 W CB 2.042 31.510 29.460 0.014 0.000 1.416 542 W HN 0.172 nan 8.180 nan 0.000 0.505 543 V N 2.642 122.769 119.914 0.354 0.000 2.483 543 V HA 0.694 4.792 4.120 -0.037 0.000 0.297 543 V C -0.083 176.207 176.094 0.327 0.000 1.027 543 V CA -0.815 61.677 62.300 0.320 0.000 0.855 543 V CB 1.294 33.220 31.823 0.171 0.000 0.995 543 V HN 0.596 nan 8.190 nan 0.000 0.424 544 T N 1.564 116.359 114.554 0.401 0.000 2.916 544 T HA 0.762 5.090 4.350 -0.037 0.000 0.292 544 T C -0.465 174.374 174.700 0.231 0.000 1.064 544 T CA -0.970 61.321 62.100 0.318 0.000 1.011 544 T CB 2.178 71.287 68.868 0.403 0.000 1.152 544 T HN 0.507 nan 8.240 nan 0.000 0.510 545 R N 0.771 121.364 120.500 0.154 0.000 2.390 545 R HA 0.357 4.675 4.340 -0.037 0.000 0.291 545 R C -0.821 175.539 176.300 0.099 0.000 1.070 545 R CA -0.900 55.271 56.100 0.118 0.000 1.014 545 R CB -0.453 29.893 30.300 0.076 0.000 1.007 545 R HN 0.780 nan 8.270 nan 0.000 0.466 546 Y N 3.034 123.332 120.300 -0.003 0.000 2.578 546 Y HA 0.314 4.842 4.550 -0.037 0.000 0.339 546 Y C -0.731 175.118 175.900 -0.085 0.000 1.231 546 Y CA 0.873 58.940 58.100 -0.055 0.000 1.461 546 Y CB 0.571 38.971 38.460 -0.100 0.000 1.323 546 Y HN 0.749 nan 8.280 nan 0.000 0.590 547 A N 4.565 126.697 122.820 -1.146 0.000 2.513 547 A HA 0.263 4.561 4.320 -0.037 0.000 0.296 547 A C -0.112 176.799 177.584 -1.122 0.000 1.052 547 A CA -0.321 51.190 52.037 -0.877 0.000 0.714 547 A CB 0.469 19.190 19.000 -0.465 0.000 1.279 547 A HN 0.820 nan 8.150 nan 0.000 0.397 548 D N 1.538 121.461 120.400 -0.795 0.000 2.309 548 D HA -0.163 4.454 4.640 -0.037 0.000 0.212 548 D C 0.604 176.716 176.300 -0.313 0.000 0.968 548 D CA 1.556 55.295 54.000 -0.436 0.000 0.882 548 D CB 0.059 40.792 40.800 -0.112 0.000 0.918 548 D HN 0.564 nan 8.370 nan 0.000 0.503 549 D N -0.083 120.124 120.400 -0.321 0.000 2.369 549 D HA -0.040 4.578 4.640 -0.037 0.000 0.211 549 D C -0.203 175.912 176.300 -0.308 0.000 1.077 549 D CA -0.185 53.672 54.000 -0.239 0.000 0.842 549 D CB -0.529 40.179 40.800 -0.154 0.000 0.947 549 D HN 0.230 nan 8.370 nan 0.000 0.509 550 E N 0.777 120.698 120.200 -0.464 0.000 2.261 550 E HA 0.317 4.645 4.350 -0.037 0.000 0.239 550 E C 0.557 176.991 176.600 -0.277 0.000 0.991 550 E CA -0.257 55.752 56.400 -0.652 0.000 0.847 550 E CB 1.116 30.142 29.700 -1.123 0.000 1.223 550 E HN 0.085 nan 8.360 nan 0.000 0.446 551 R N 0.934 121.258 120.500 -0.292 0.000 2.175 551 R HA 0.106 4.423 4.340 -0.037 0.000 0.202 551 R C -0.137 175.839 176.300 -0.539 0.000 1.018 551 R CA 0.703 56.468 56.100 -0.558 0.000 1.029 551 R CB 0.518 30.179 30.300 -1.066 0.000 0.959 551 R HN 0.289 nan 8.270 nan 0.000 0.480 552 Y N -0.308 120.110 120.300 0.196 0.000 2.462 552 Y HA 0.290 4.819 4.550 -0.037 0.000 0.346 552 Y C -1.788 174.075 175.900 -0.061 0.000 0.976 552 Y CA -3.115 55.047 58.100 0.105 0.000 1.044 552 Y CB 1.337 39.751 38.460 -0.077 0.000 1.230 552 Y HN -0.159 nan 8.280 nan 0.000 0.455 553 P HA -0.101 nan 4.420 nan 0.000 0.225 553 P C 0.624 177.613 177.300 -0.518 0.000 1.148 553 P CA 1.518 64.248 63.100 -0.617 0.000 0.779 553 P CB 0.170 31.409 31.700 -0.768 0.000 0.780 554 T N -4.838 109.527 114.554 -0.316 0.000 3.085 554 T HA 0.515 4.843 4.350 -0.037 0.000 0.264 554 T C 0.876 175.398 174.700 -0.296 0.000 1.019 554 T CA 0.086 62.036 62.100 -0.250 0.000 0.910 554 T CB 0.026 68.808 68.868 -0.144 0.000 1.059 554 T HN 0.342 nan 8.240 nan 0.000 0.542 555 G N 1.371 110.044 108.800 -0.212 0.000 2.712 555 G HA2 -0.153 3.784 3.960 -0.037 0.000 0.683 555 G HA3 -0.153 3.784 3.960 -0.037 0.000 0.683 555 G C -0.236 174.596 174.900 -0.113 0.000 1.320 555 G CA -0.125 44.873 45.100 -0.169 0.000 0.847 555 G HN 0.148 nan 8.290 nan 0.000 0.553 556 D N -0.600 119.678 120.400 -0.203 0.000 2.194 556 D HA 0.067 4.685 4.640 -0.037 0.000 0.204 556 D C 0.827 176.608 176.300 -0.865 0.000 0.964 556 D CA 1.435 55.143 54.000 -0.485 0.000 0.846 556 D CB 0.019 40.370 40.800 -0.747 0.000 0.962 556 D HN 0.220 nan 8.370 nan 0.000 0.490 557 F N 0.441 120.273 119.950 -0.197 0.000 2.451 557 F HA 0.205 4.709 4.527 -0.038 0.000 0.367 557 F C 1.157 176.829 175.800 -0.213 0.000 1.100 557 F CA -0.610 57.254 58.000 -0.227 0.000 1.171 557 F CB 1.173 40.029 39.000 -0.240 0.000 1.405 557 F HN -0.354 nan 8.300 nan 0.000 0.482 558 V N -0.020 119.796 119.914 -0.164 0.000 2.379 558 V HA -0.200 3.898 4.120 -0.037 0.000 0.245 558 V C 1.312 177.266 176.094 -0.234 0.000 1.044 558 V CA 0.805 62.930 62.300 -0.293 0.000 1.036 558 V CB -0.520 31.032 31.823 -0.451 0.000 0.664 558 V HN 0.667 nan 8.190 nan 0.000 0.453 559 N N 1.378 119.988 118.700 -0.150 0.000 2.315 559 N HA -0.100 4.617 4.740 -0.037 0.000 0.270 559 N C 0.576 176.038 175.510 -0.081 0.000 1.329 559 N CA 0.765 53.747 53.050 -0.112 0.000 0.860 559 N CB -0.264 38.164 38.487 -0.099 0.000 1.095 559 N HN 0.507 nan 8.380 nan 0.000 0.487 560 Q N -0.248 119.505 119.800 -0.079 0.000 2.461 560 Q HA -0.313 4.004 4.340 -0.037 0.000 0.264 560 Q C -0.569 175.371 176.000 -0.101 0.000 1.085 560 Q CA 0.817 56.572 55.803 -0.080 0.000 1.006 560 Q CB -1.605 27.087 28.738 -0.077 0.000 1.437 560 Q HN 0.676 nan 8.270 nan 0.000 0.514 561 H N 0.311 119.286 119.070 -0.158 0.000 2.610 561 H HA 0.179 4.712 4.556 -0.038 0.000 0.336 561 H C 1.214 176.452 175.328 -0.150 0.000 1.087 561 H CA 0.838 56.800 56.048 -0.143 0.000 1.405 561 H CB 1.097 30.770 29.762 -0.148 0.000 1.460 561 H HN 0.281 nan 8.280 nan 0.000 0.538 562 S N 2.841 118.240 115.700 -0.502 0.000 2.419 562 S HA 0.088 4.536 4.470 -0.037 0.000 0.233 562 S C 1.021 175.573 174.600 -0.079 0.000 1.016 562 S CA 0.480 58.522 58.200 -0.262 0.000 0.974 562 S CB 0.055 63.085 63.200 -0.283 0.000 0.786 562 S HN 1.038 nan 8.310 nan 0.000 0.492 563 G N -1.523 107.359 108.800 0.138 0.000 2.335 563 G HA2 0.494 4.432 3.960 -0.037 0.000 0.592 563 G HA3 0.494 4.432 3.960 -0.037 0.000 0.592 563 G C 0.367 175.329 174.900 0.103 0.000 1.442 563 G CA -0.080 45.081 45.100 0.102 0.000 0.976 563 G HN 1.445 nan 8.290 nan 0.000 0.652 564 G N -1.288 107.516 108.800 0.005 0.000 2.199 564 G HA2 0.225 4.163 3.960 -0.037 0.000 0.254 564 G HA3 0.225 4.163 3.960 -0.037 0.000 0.254 564 G C 1.117 175.931 174.900 -0.144 0.000 0.982 564 G CA 1.384 46.457 45.100 -0.045 0.000 0.632 564 G HN 2.519 nan 8.290 nan 0.000 0.529 565 A N -0.192 122.490 122.820 -0.230 0.000 2.346 565 A HA 0.850 5.147 4.320 -0.037 0.000 0.252 565 A C 1.870 179.149 177.584 -0.508 0.000 1.089 565 A CA 1.795 53.586 52.037 -0.411 0.000 0.797 565 A CB 0.202 18.762 19.000 -0.732 0.000 1.047 565 A HN 2.475 nan 8.150 nan 0.000 0.494 566 G N -0.751 107.628 108.800 -0.701 0.000 2.509 566 G HA2 -0.237 3.700 3.960 -0.037 0.000 0.259 566 G HA3 -0.237 3.700 3.960 -0.037 0.000 0.259 566 G C 0.892 174.803 174.900 -1.649 0.000 1.169 566 G CA 0.286 44.691 45.100 -1.157 0.000 0.953 566 G HN 1.153 nan 8.290 nan 0.000 0.563 567 L N 2.253 122.697 121.223 -1.300 0.000 2.010 567 L HA -0.142 4.175 4.340 -0.037 0.000 0.219 567 L C 0.669 177.146 176.870 -0.655 0.000 1.077 567 L CA 2.922 57.086 54.840 -1.127 0.000 0.773 567 L CB -1.458 39.670 42.059 -1.551 0.000 0.892 567 L HN 0.549 nan 8.230 nan 0.000 0.436 568 P HA -0.155 nan 4.420 nan 0.000 0.219 568 P C 1.688 178.914 177.300 -0.123 0.000 1.146 568 P CA 1.571 64.598 63.100 -0.122 0.000 0.808 568 P CB 0.095 31.755 31.700 -0.067 0.000 0.779 569 S N -1.718 113.821 115.700 -0.269 0.000 2.377 569 S HA -0.094 4.353 4.470 -0.037 0.000 0.223 569 S C 1.902 176.495 174.600 -0.012 0.000 1.030 569 S CA 0.540 58.650 58.200 -0.151 0.000 0.970 569 S CB -0.748 62.333 63.200 -0.198 0.000 0.830 569 S HN -0.051 nan 8.310 nan 0.000 0.473 570 Y N 2.297 122.525 120.300 -0.120 0.000 2.114 570 Y HA -0.058 4.470 4.550 -0.037 0.000 0.284 570 Y C 2.307 178.188 175.900 -0.032 0.000 1.143 570 Y CA 0.735 58.775 58.100 -0.099 0.000 1.135 570 Y CB -1.499 36.856 38.460 -0.175 0.000 0.980 570 Y HN 0.428 nan 8.280 nan 0.000 0.499 571 I N -1.274 119.390 120.570 0.156 0.000 2.614 571 I HA -0.003 4.144 4.170 -0.037 0.000 0.258 571 I C 2.202 178.382 176.117 0.105 0.000 1.189 571 I CA 1.425 62.816 61.300 0.152 0.000 1.462 571 I CB -1.071 37.060 38.000 0.218 0.000 1.092 571 I HN 0.000 nan 8.210 nan 0.000 0.442 572 A N 0.542 123.411 122.820 0.080 0.000 2.125 572 A HA -0.177 4.121 4.320 -0.037 0.000 0.219 572 A C 2.271 179.887 177.584 0.053 0.000 1.156 572 A CA 1.503 53.574 52.037 0.056 0.000 0.671 572 A CB -0.750 18.272 19.000 0.036 0.000 0.794 572 A HN 0.680 nan 8.150 nan 0.000 0.459 573 Q N -1.341 118.497 119.800 0.064 0.000 2.297 573 Q HA -0.095 4.223 4.340 -0.037 0.000 0.204 573 Q C 0.110 176.139 176.000 0.048 0.000 0.962 573 Q CA 0.527 56.361 55.803 0.051 0.000 0.879 573 Q CB -0.013 28.755 28.738 0.051 0.000 0.947 573 Q HN 0.610 nan 8.270 nan 0.000 0.462 574 D N 0.673 121.109 120.400 0.059 0.000 2.697 574 D HA -0.168 4.449 4.640 -0.037 0.000 0.238 574 D C -0.940 175.391 176.300 0.051 0.000 1.152 574 D CA 0.581 54.614 54.000 0.054 0.000 0.666 574 D CB -0.585 40.241 40.800 0.043 0.000 1.037 574 D HN 0.205 nan 8.370 nan 0.000 0.423 575 R N 0.319 120.853 120.500 0.057 0.000 2.583 575 R HA 0.360 4.678 4.340 -0.037 0.000 0.268 575 R C 0.221 176.555 176.300 0.057 0.000 1.101 575 R CA -0.573 55.558 56.100 0.052 0.000 1.180 575 R CB 0.391 30.721 30.300 0.050 0.000 1.128 575 R HN 0.164 nan 8.270 nan 0.000 0.568 576 D N 1.617 122.048 120.400 0.052 0.000 2.343 576 D HA 0.053 4.670 4.640 -0.037 0.000 0.255 576 D C 0.481 176.820 176.300 0.065 0.000 1.187 576 D CA -0.115 53.917 54.000 0.054 0.000 0.875 576 D CB 0.574 41.401 40.800 0.045 0.000 1.136 576 D HN 0.541 nan 8.370 nan 0.000 0.469 577 I N -0.100 120.514 120.570 0.072 0.000 4.081 577 I HA 0.340 4.488 4.170 -0.037 0.000 0.333 577 I C 0.258 176.423 176.117 0.079 0.000 1.413 577 I CA -0.491 60.860 61.300 0.084 0.000 1.110 577 I CB 0.440 38.500 38.000 0.101 0.000 1.082 577 I HN 0.080 nan 8.210 nan 0.000 0.402 578 D N 3.072 123.512 120.400 0.067 0.000 2.483 578 D HA 0.338 4.955 4.640 -0.037 0.000 0.220 578 D C 1.078 177.414 176.300 0.059 0.000 1.173 578 D CA 0.573 54.610 54.000 0.062 0.000 0.964 578 D CB 0.274 41.106 40.800 0.053 0.000 1.046 578 D HN 0.552 nan 8.370 nan 0.000 0.517 579 G N 3.188 112.027 108.800 0.065 0.000 2.370 579 G HA2 -0.179 3.759 3.960 -0.037 0.000 0.268 579 G HA3 -0.179 3.759 3.960 -0.037 0.000 0.268 579 G C -0.098 174.843 174.900 0.068 0.000 1.122 579 G CA -0.319 44.819 45.100 0.063 0.000 0.963 579 G HN 0.478 nan 8.290 nan 0.000 0.500 580 Q N -0.725 119.123 119.800 0.080 0.000 2.683 580 Q HA 0.407 4.725 4.340 -0.037 0.000 0.302 580 Q C -0.979 175.086 176.000 0.107 0.000 1.042 580 Q CA -0.918 54.935 55.803 0.084 0.000 0.773 580 Q CB 1.034 29.818 28.738 0.077 0.000 1.508 580 Q HN 0.241 nan 8.270 nan 0.000 0.459 581 D N 1.872 122.332 120.400 0.099 0.000 2.344 581 D HA 0.303 4.920 4.640 -0.037 0.000 0.253 581 D C -0.378 176.000 176.300 0.130 0.000 1.255 581 D CA 0.039 54.101 54.000 0.102 0.000 0.894 581 D CB -0.265 40.511 40.800 -0.040 0.000 1.067 581 D HN 0.440 nan 8.370 nan 0.000 0.492 582 I N 0.056 120.710 120.570 0.141 0.000 3.067 582 I HA 0.694 4.842 4.170 -0.037 0.000 0.312 582 I C -1.001 175.182 176.117 0.110 0.000 1.073 582 I CA -1.071 60.312 61.300 0.139 0.000 1.016 582 I CB 2.224 40.300 38.000 0.127 0.000 1.227 582 I HN -0.077 nan 8.210 nan 0.000 0.456 583 V N 3.446 123.421 119.914 0.102 0.000 2.638 583 V HA 0.430 4.527 4.120 -0.037 0.000 0.306 583 V C -0.233 175.838 176.094 -0.040 0.000 1.052 583 V CA -0.653 61.617 62.300 -0.050 0.000 0.885 583 V CB 1.892 33.630 31.823 -0.142 0.000 0.999 583 V HN 0.570 nan 8.190 nan 0.000 0.424 584 V N 3.596 123.425 119.914 -0.140 0.000 2.427 584 V HA 0.485 4.583 4.120 -0.037 0.000 0.286 584 V C -1.163 174.871 176.094 -0.100 0.000 1.034 584 V CA -0.472 61.824 62.300 -0.007 0.000 0.893 584 V CB 1.713 33.529 31.823 -0.012 0.000 0.982 584 V HN 0.923 nan 8.190 nan 0.000 0.452 585 W N 3.934 125.289 121.300 0.092 0.000 2.393 585 W HA 0.496 5.134 4.660 -0.038 0.000 0.315 585 W C -0.192 176.438 176.519 0.184 0.000 1.009 585 W CA -0.611 56.797 57.345 0.105 0.000 1.313 585 W CB 0.547 30.052 29.460 0.075 0.000 1.269 585 W HN 0.588 nan 8.180 nan 0.000 0.420 586 H N 1.781 120.950 119.070 0.166 0.000 2.519 586 H HA 0.489 5.022 4.556 -0.037 0.000 0.316 586 H C -0.284 175.241 175.328 0.329 0.000 1.065 586 H CA -0.217 55.892 56.048 0.103 0.000 1.264 586 H CB 0.935 30.553 29.762 -0.239 0.000 1.413 586 H HN 0.169 nan 8.280 nan 0.000 0.465 587 T N 7.402 121.983 114.554 0.045 0.000 2.771 587 T HA 0.418 4.746 4.350 -0.037 0.000 0.291 587 T C -0.946 173.683 174.700 -0.120 0.000 0.954 587 T CA -0.242 61.900 62.100 0.070 0.000 1.045 587 T CB -0.328 68.669 68.868 0.215 0.000 0.917 587 T HN 0.502 nan 8.240 nan 0.000 0.484 588 F N -0.054 119.815 119.950 -0.135 0.000 2.628 588 F HA 0.839 5.344 4.527 -0.037 0.000 0.309 588 F C -0.257 175.655 175.800 0.187 0.000 1.108 588 F CA -1.102 56.870 58.000 -0.046 0.000 0.971 588 F CB 1.067 40.002 39.000 -0.108 0.000 1.279 588 F HN 0.799 nan 8.300 nan 0.000 0.441 589 G N 1.829 110.762 108.800 0.221 0.000 2.600 589 G HA2 0.593 4.531 3.960 -0.037 0.000 0.293 589 G HA3 0.593 4.531 3.960 -0.037 0.000 0.293 589 G C -2.468 172.543 174.900 0.185 0.000 1.408 589 G CA -1.146 44.086 45.100 0.221 0.000 0.782 589 G HN 0.829 nan 8.290 nan 0.000 0.482 590 L N 0.506 121.829 121.223 0.166 0.000 2.317 590 L HA 0.582 4.900 4.340 -0.037 0.000 0.281 590 L C -0.094 176.745 176.870 -0.051 0.000 1.024 590 L CA -0.675 54.213 54.840 0.080 0.000 0.810 590 L CB 2.294 44.419 42.059 0.110 0.000 1.240 590 L HN 0.425 nan 8.230 nan 0.000 0.427 591 T N 2.358 116.818 114.554 -0.157 0.000 2.758 591 T HA 0.616 4.944 4.350 -0.037 0.000 0.285 591 T C -0.194 174.161 174.700 -0.575 0.000 0.981 591 T CA -0.445 61.430 62.100 -0.376 0.000 0.965 591 T CB 1.458 70.123 68.868 -0.339 0.000 0.927 591 T HN 0.634 nan 8.240 nan 0.000 0.448 592 A N 3.156 125.499 122.820 -0.795 0.000 2.318 592 A HA 0.805 5.102 4.320 -0.037 0.000 0.324 592 A C -1.006 176.017 177.584 -0.935 0.000 1.170 592 A CA -0.643 50.931 52.037 -0.772 0.000 0.810 592 A CB 0.428 19.022 19.000 -0.677 0.000 1.198 592 A HN 0.744 nan 8.150 nan 0.000 0.484 593 F N 2.628 122.385 119.950 -0.323 0.000 2.564 593 F HA 0.351 4.855 4.527 -0.039 0.000 0.361 593 F C -2.335 173.427 175.800 -0.064 0.000 1.161 593 F CA -2.401 55.378 58.000 -0.368 0.000 1.198 593 F CB 0.954 39.626 39.000 -0.546 0.000 1.424 593 F HN 0.321 nan 8.300 nan 0.000 0.517 594 P HA 0.052 nan 4.420 nan 0.000 0.263 594 P C -0.169 177.239 177.300 0.181 0.000 1.175 594 P CA 0.299 63.521 63.100 0.203 0.000 0.761 594 P CB 0.639 32.505 31.700 0.277 0.000 0.794 595 R N 1.645 122.227 120.500 0.136 0.000 2.691 595 R HA 0.344 4.661 4.340 -0.037 0.000 0.259 595 R C 1.209 177.576 176.300 0.111 0.000 1.048 595 R CA -1.018 55.144 56.100 0.102 0.000 1.086 595 R CB 0.376 30.722 30.300 0.076 0.000 1.166 595 R HN 0.093 nan 8.270 nan 0.000 0.526 596 V N 1.247 121.209 119.914 0.080 0.000 2.469 596 V HA -0.219 3.879 4.120 -0.037 0.000 0.251 596 V C 1.408 177.583 176.094 0.136 0.000 1.064 596 V CA 1.848 64.210 62.300 0.102 0.000 1.066 596 V CB -0.582 31.275 31.823 0.056 0.000 0.667 596 V HN 0.689 nan 8.190 nan 0.000 0.461 597 E N -0.086 120.170 120.200 0.092 0.000 2.338 597 E HA -0.136 4.192 4.350 -0.037 0.000 0.197 597 E C 1.582 178.226 176.600 0.074 0.000 1.007 597 E CA 0.738 57.180 56.400 0.070 0.000 0.849 597 E CB -0.193 29.531 29.700 0.041 0.000 0.774 597 E HN 0.579 nan 8.360 nan 0.000 0.506 598 D N -0.940 119.532 120.400 0.119 0.000 2.340 598 D HA -0.055 4.562 4.640 -0.037 0.000 0.220 598 D C -0.331 176.075 176.300 0.176 0.000 1.039 598 D CA 0.221 54.293 54.000 0.120 0.000 0.866 598 D CB 0.153 41.040 40.800 0.145 0.000 0.913 598 D HN 0.217 nan 8.370 nan 0.000 0.523 599 W N 1.997 123.304 121.300 0.012 0.000 2.529 599 W HA 0.232 4.869 4.660 -0.039 0.000 0.321 599 W C -2.168 174.365 176.519 0.022 0.000 1.047 599 W CA -2.040 55.317 57.345 0.020 0.000 1.216 599 W CB 2.235 31.709 29.460 0.023 0.000 1.357 599 W HN -0.184 nan 8.180 nan 0.000 0.489 600 P HA 0.185 nan 4.420 nan 0.000 0.252 600 P C -0.162 176.656 177.300 -0.803 0.000 1.218 600 P CA 0.668 62.862 63.100 -1.510 0.000 0.807 600 P CB 1.379 32.567 31.700 -0.853 0.000 1.072 601 I N 0.330 120.618 120.570 -0.470 0.000 2.607 601 I HA 0.333 4.480 4.170 -0.037 0.000 0.290 601 I C -0.652 175.307 176.117 -0.263 0.000 1.129 601 I CA -1.876 59.154 61.300 -0.451 0.000 1.042 601 I CB 2.116 39.610 38.000 -0.843 0.000 1.242 601 I HN -0.243 nan 8.210 nan 0.000 0.421 602 M N 9.389 128.881 119.600 -0.181 0.000 2.235 602 M HA 0.607 5.064 4.480 -0.037 0.000 0.351 602 M C -2.594 173.647 176.300 -0.099 0.000 1.178 602 M CA -1.274 53.971 55.300 -0.092 0.000 1.143 602 M CB 0.970 33.552 32.600 -0.029 0.000 1.530 602 M HN 0.231 nan 8.290 nan 0.000 0.461 603 P HA 0.159 nan 4.420 nan 0.000 0.277 603 P C -0.571 176.705 177.300 -0.041 0.000 1.240 603 P CA -0.452 62.614 63.100 -0.058 0.000 0.798 603 P CB 0.950 32.626 31.700 -0.041 0.000 0.979 604 V N 2.523 122.418 119.914 -0.031 0.000 2.617 604 V HA -0.028 4.069 4.120 -0.037 0.000 0.304 604 V C 0.757 176.836 176.094 -0.025 0.000 1.040 604 V CA 1.105 63.395 62.300 -0.016 0.000 1.149 604 V CB -0.214 31.613 31.823 0.005 0.000 0.914 604 V HN 0.649 nan 8.190 nan 0.000 0.487 605 D N 2.412 122.794 120.400 -0.029 0.000 2.433 605 D HA 0.702 5.320 4.640 -0.037 0.000 0.236 605 D C -0.236 176.041 176.300 -0.038 0.000 1.026 605 D CA -0.189 53.795 54.000 -0.026 0.000 0.884 605 D CB 2.303 43.093 40.800 -0.016 0.000 1.384 605 D HN 0.725 nan 8.370 nan 0.000 0.477 606 T N -1.371 113.164 114.554 -0.031 0.000 2.901 606 T HA 0.783 5.111 4.350 -0.037 0.000 0.293 606 T C -0.915 173.790 174.700 0.009 0.000 1.084 606 T CA -0.806 61.260 62.100 -0.056 0.000 1.008 606 T CB 1.508 70.323 68.868 -0.087 0.000 1.170 606 T HN 0.274 nan 8.240 nan 0.000 0.509 607 V N -0.450 119.449 119.914 -0.026 0.000 3.225 607 V HA 0.851 4.948 4.120 -0.037 0.000 0.293 607 V C -0.246 175.780 176.094 -0.113 0.000 1.405 607 V CA 0.546 62.897 62.300 0.085 0.000 1.038 607 V CB 1.664 33.600 31.823 0.189 0.000 1.123 607 V HN 1.710 nan 8.190 nan 0.000 0.447 608 G N 2.730 111.301 108.800 -0.381 0.000 2.393 608 G HA2 0.720 4.657 3.960 -0.037 0.000 0.264 608 G HA3 0.720 4.657 3.960 -0.037 0.000 0.264 608 G C -1.437 172.862 174.900 -1.001 0.000 1.221 608 G CA 0.251 44.916 45.100 -0.724 0.000 0.912 608 G HN 1.968 nan 8.290 nan 0.000 0.483 609 F N -1.099 118.462 119.950 -0.649 0.000 2.858 609 F HA 0.859 5.363 4.527 -0.038 0.000 0.319 609 F C -1.107 174.668 175.800 -0.042 0.000 1.166 609 F CA -0.861 56.950 58.000 -0.316 0.000 0.899 609 F CB 1.436 40.282 39.000 -0.256 0.000 1.332 609 F HN 0.865 nan 8.300 nan 0.000 0.461 610 K N 0.727 121.293 120.400 0.277 0.000 2.579 610 K HA 0.814 5.112 4.320 -0.037 0.000 0.284 610 K C -2.534 174.310 176.600 0.406 0.000 0.990 610 K CA -1.040 55.389 56.287 0.237 0.000 0.880 610 K CB 2.517 35.122 32.500 0.175 0.000 1.488 610 K HN 0.745 nan 8.250 nan 0.000 0.425 611 L N 1.299 122.761 121.223 0.398 0.000 2.385 611 L HA 0.583 4.901 4.340 -0.037 0.000 0.273 611 L C -0.640 176.491 176.870 0.436 0.000 0.990 611 L CA -0.566 54.532 54.840 0.431 0.000 0.821 611 L CB 2.138 44.477 42.059 0.468 0.000 1.279 611 L HN 0.578 nan 8.230 nan 0.000 0.412 612 R N 2.977 123.652 120.500 0.292 0.000 2.637 612 R HA 0.558 4.875 4.340 -0.037 0.000 0.291 612 R C -2.555 173.496 176.300 -0.414 0.000 0.963 612 R CA -1.906 54.238 56.100 0.072 0.000 0.901 612 R CB 1.667 32.051 30.300 0.141 0.000 1.160 612 R HN 0.307 nan 8.270 nan 0.000 0.457 613 P HA -0.050 nan 4.420 nan 0.000 0.266 613 P C -0.741 176.344 177.300 -0.360 0.000 1.195 613 P CA 0.213 62.681 63.100 -1.052 0.000 0.768 613 P CB 0.765 32.223 31.700 -0.403 0.000 0.838 614 E N 2.011 122.069 120.200 -0.237 0.000 2.873 614 E HA 0.434 4.762 4.350 -0.037 0.000 0.232 614 E C 0.686 177.291 176.600 0.008 0.000 1.123 614 E CA -0.395 55.971 56.400 -0.057 0.000 0.809 614 E CB -0.647 29.037 29.700 -0.027 0.000 1.366 614 E HN 0.670 nan 8.360 nan 0.000 0.400 615 G N 3.225 112.041 108.800 0.026 0.000 2.160 615 G HA2 -0.360 3.578 3.960 -0.037 0.000 0.251 615 G HA3 -0.360 3.578 3.960 -0.037 0.000 0.251 615 G C 0.487 175.399 174.900 0.021 0.000 1.008 615 G CA 0.433 45.551 45.100 0.030 0.000 0.724 615 G HN 0.540 nan 8.290 nan 0.000 0.514 616 F N 0.018 119.871 119.950 -0.162 0.000 2.187 616 F HA 0.474 4.978 4.527 -0.037 0.000 0.295 616 F C 1.346 176.889 175.800 -0.428 0.000 1.091 616 F CA 0.542 58.352 58.000 -0.317 0.000 1.308 616 F CB 0.042 38.766 39.000 -0.460 0.000 1.030 616 F HN 0.127 nan 8.300 nan 0.000 0.487 617 F N 0.326 120.285 119.950 0.014 0.000 2.410 617 F HA 0.229 4.733 4.527 -0.037 0.000 0.324 617 F C 1.402 177.157 175.800 -0.075 0.000 1.093 617 F CA -0.738 57.219 58.000 -0.071 0.000 1.028 617 F CB 0.303 39.278 39.000 -0.042 0.000 1.309 617 F HN -0.285 nan 8.300 nan 0.000 0.499 618 D N -0.175 120.315 120.400 0.149 0.000 2.350 618 D HA 0.079 4.696 4.640 -0.037 0.000 0.213 618 D C 0.287 176.619 176.300 0.054 0.000 1.031 618 D CA 0.575 54.610 54.000 0.058 0.000 0.861 618 D CB 0.323 41.140 40.800 0.028 0.000 0.926 618 D HN 0.496 nan 8.370 nan 0.000 0.520 619 R N -1.924 118.621 120.500 0.075 0.000 2.832 619 R HA 0.210 4.528 4.340 -0.037 0.000 0.283 619 R C -0.787 175.505 176.300 -0.013 0.000 0.998 619 R CA -0.744 55.370 56.100 0.023 0.000 0.843 619 R CB 0.373 30.673 30.300 0.000 0.000 1.332 619 R HN -0.167 nan 8.270 nan 0.000 0.490 620 S N 1.181 116.852 115.700 -0.050 0.000 2.575 620 S HA 0.085 4.533 4.470 -0.037 0.000 0.295 620 S C -1.236 173.248 174.600 -0.193 0.000 1.267 620 S CA -0.762 57.373 58.200 -0.109 0.000 1.074 620 S CB 0.419 63.581 63.200 -0.063 0.000 0.829 620 S HN 0.506 nan 8.310 nan 0.000 0.497 621 P HA 0.092 nan 4.420 nan 0.000 0.253 621 P C 0.555 177.740 177.300 -0.191 0.000 1.260 621 P CA 0.231 63.040 63.100 -0.485 0.000 0.800 621 P CB -0.218 30.708 31.700 -1.291 0.000 1.162 622 V N -4.289 115.561 119.914 -0.108 0.000 3.085 622 V HA 0.227 4.324 4.120 -0.037 0.000 0.345 622 V C 1.624 177.736 176.094 0.029 0.000 1.397 622 V CA -0.099 62.191 62.300 -0.016 0.000 1.165 622 V CB -0.786 31.050 31.823 0.023 0.000 1.153 622 V HN -0.121 nan 8.190 nan 0.000 0.495 623 L N 1.280 122.511 121.223 0.013 0.000 2.291 623 L HA 0.012 4.330 4.340 -0.037 0.000 0.214 623 L C 2.157 179.063 176.870 0.059 0.000 1.120 623 L CA 1.523 56.392 54.840 0.049 0.000 0.799 623 L CB -0.311 41.755 42.059 0.012 0.000 0.925 623 L HN 0.552 nan 8.230 nan 0.000 0.446 624 D N 0.361 120.778 120.400 0.028 0.000 2.339 624 D HA -0.025 4.593 4.640 -0.037 0.000 0.217 624 D C 0.711 177.019 176.300 0.013 0.000 1.050 624 D CA 0.012 54.023 54.000 0.020 0.000 0.856 624 D CB -0.490 40.311 40.800 0.002 0.000 0.922 624 D HN 0.155 nan 8.370 nan 0.000 0.518 625 V N -0.752 119.175 119.914 0.021 0.000 2.555 625 V HA 0.385 4.482 4.120 -0.037 0.000 0.286 625 V C -2.103 173.992 176.094 0.001 0.000 1.044 625 V CA -1.437 60.864 62.300 0.002 0.000 1.026 625 V CB 0.674 32.500 31.823 0.006 0.000 0.981 625 V HN -0.086 nan 8.190 nan 0.000 0.480 626 P HA 0.432 nan 4.420 nan 0.000 0.277 626 P C -0.267 177.004 177.300 -0.047 0.000 1.271 626 P CA -0.349 62.740 63.100 -0.018 0.000 0.795 626 P CB 1.116 32.808 31.700 -0.013 0.000 1.101 627 A N 1.248 124.036 122.820 -0.054 0.000 2.322 627 A HA 0.264 4.561 4.320 -0.037 0.000 0.269 627 A C 0.534 178.088 177.584 -0.051 0.000 1.094 627 A CA -0.266 51.722 52.037 -0.081 0.000 0.807 627 A CB -0.643 18.311 19.000 -0.076 0.000 1.047 627 A HN 0.576 nan 8.150 nan 0.000 0.487 628 N N 0.000 118.667 118.700 -0.054 0.000 1.763 628 N HA 0.000 4.718 4.740 -0.037 0.000 0.220 628 N CA 0.000 53.032 53.050 -0.030 0.000 0.885 628 N CB 0.000 38.470 38.487 -0.029 0.000 1.341 628 N HN 0.000 nan 8.380 nan 0.000 0.667