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 1v16_1_A DATA FIRST_RESID 6 DATA SEQUENCE KPQFPGASAE FIDKLEFIQP NVISGIPIYR VMDRQGQIIN PSEDPHLPKE DATA SEQUENCE KVLKLYKSMT LLNTMDRILY ESQRQGRISF YMTNYGEEGT HVGSAAALDN DATA SEQUENCE TDLVFGQYRE AGVLMYRDYP LELFMAQCYG NISDLGKGRQ MPVHYGCKER DATA SEQUENCE HFVTISSPLA TQIPQAVGAA YAAKRANANR VVICYFGEGA ASEGDAHAGF DATA SEQUENCE NFAATLECPI IFFCRNNGYA ISTPTSEQYR GDGIAARGPG YGIMSIRVDG DATA SEQUENCE NDVFAVYNAT KEARRRAVAE NQPFLIEAMT YRIXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXDHP ISRLRHYLLS QGWWDEEQEK AWRKQSRRKV MEAFEQAERK DATA SEQUENCE PKPNPNLLFS DVYQEMPAQL RKQQESLARH LQTYGEHYPL DHFDK 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.569 176.600 -0.052 0.000 0.988 6 K CA 0.000 56.315 56.287 0.046 0.000 0.838 6 K CB 0.000 32.502 32.500 0.003 0.000 1.064 7 P HA 0.014 nan 4.420 nan 0.000 0.266 7 P C -0.705 176.458 177.300 -0.229 0.000 1.195 7 P CA -0.233 62.625 63.100 -0.403 0.000 0.768 7 P CB 0.604 31.980 31.700 -0.540 0.000 0.838 8 Q N 2.015 121.592 119.800 -0.371 0.000 2.462 8 Q HA 0.302 4.642 4.340 0.001 0.000 0.395 8 Q C -1.002 174.758 176.000 -0.399 0.000 0.911 8 Q CA -0.091 55.520 55.803 -0.320 0.000 1.112 8 Q CB -0.039 28.540 28.738 -0.266 0.000 1.350 8 Q HN 0.430 nan 8.270 nan 0.000 0.407 9 F N 1.787 121.708 119.950 -0.048 0.000 2.427 9 F HA 0.342 4.869 4.527 0.001 0.000 0.346 9 F C -1.043 174.733 175.800 -0.040 0.000 1.120 9 F CA -2.128 55.851 58.000 -0.036 0.000 1.033 9 F CB 1.209 40.184 39.000 -0.040 0.000 1.126 9 F HN 0.002 nan 8.300 nan 0.000 0.462 10 P HA -0.023 nan 4.420 nan 0.000 0.223 10 P C 1.521 178.856 177.300 0.057 0.000 1.151 10 P CA 0.895 64.034 63.100 0.065 0.000 0.787 10 P CB 0.158 31.885 31.700 0.044 0.000 0.788 11 G N -0.243 108.602 108.800 0.075 0.000 2.471 11 G HA2 0.210 4.171 3.960 0.001 0.000 0.219 11 G HA3 0.210 4.171 3.960 0.001 0.000 0.219 11 G C 0.596 175.499 174.900 0.005 0.000 1.125 11 G CA 0.736 45.851 45.100 0.025 0.000 0.775 11 G HN 0.655 nan 8.290 nan 0.000 0.548 12 A N -1.286 121.547 122.820 0.020 0.000 2.612 12 A HA 0.684 5.005 4.320 0.001 0.000 0.293 12 A C -0.790 176.792 177.584 -0.002 0.000 1.075 12 A CA -0.185 51.847 52.037 -0.008 0.000 0.680 12 A CB 1.106 20.084 19.000 -0.037 0.000 1.279 12 A HN 0.449 nan 8.150 nan 0.000 0.411 13 S N 0.041 115.727 115.700 -0.025 0.000 2.498 13 S HA 0.777 5.248 4.470 0.001 0.000 0.324 13 S C -0.358 174.211 174.600 -0.053 0.000 1.071 13 S CA 0.421 58.600 58.200 -0.035 0.000 1.113 13 S CB 0.290 63.470 63.200 -0.033 0.000 0.976 13 S HN 2.339 nan 8.310 nan 0.000 0.462 14 A N 4.140 126.914 122.820 -0.078 0.000 2.586 14 A HA 0.678 4.999 4.320 0.001 0.000 0.291 14 A C -1.220 176.267 177.584 -0.162 0.000 1.062 14 A CA -0.851 51.126 52.037 -0.100 0.000 0.666 14 A CB 0.831 19.774 19.000 -0.096 0.000 1.281 14 A HN 0.618 nan 8.150 nan 0.000 0.421 15 E N 0.001 120.119 120.200 -0.138 0.000 2.312 15 E HA 0.550 4.900 4.350 0.001 0.000 0.259 15 E C -0.911 175.568 176.600 -0.201 0.000 1.122 15 E CA -0.183 56.123 56.400 -0.157 0.000 0.922 15 E CB 0.450 30.123 29.700 -0.045 0.000 1.109 15 E HN 0.418 nan 8.360 nan 0.000 0.442 16 F N 0.621 120.585 119.950 0.023 0.000 2.406 16 F HA 0.317 4.845 4.527 0.001 0.000 0.327 16 F C 0.767 176.566 175.800 -0.002 0.000 1.153 16 F CA -0.219 57.792 58.000 0.018 0.000 1.218 16 F CB 0.399 39.413 39.000 0.024 0.000 1.215 16 F HN 0.208 nan 8.300 nan 0.000 0.570 17 I N 1.538 122.241 120.570 0.222 0.000 2.582 17 I HA 0.257 4.428 4.170 0.001 0.000 0.292 17 I C -0.435 175.723 176.117 0.069 0.000 1.066 17 I CA -0.597 60.762 61.300 0.099 0.000 1.053 17 I CB 1.751 39.775 38.000 0.040 0.000 1.241 17 I HN 0.697 nan 8.210 nan 0.000 0.421 18 D N 6.121 126.541 120.400 0.033 0.000 2.363 18 D HA 0.072 4.712 4.640 0.001 0.000 0.214 18 D C -0.369 175.926 176.300 -0.009 0.000 1.093 18 D CA -0.045 53.957 54.000 0.003 0.000 0.837 18 D CB 0.229 41.026 40.800 -0.004 0.000 0.948 18 D HN 0.494 nan 8.370 nan 0.000 0.507 19 K N -0.015 120.379 120.400 -0.010 0.000 2.426 19 K HA 0.441 4.762 4.320 0.001 0.000 0.251 19 K C -0.962 175.613 176.600 -0.041 0.000 0.941 19 K CA -1.081 55.194 56.287 -0.019 0.000 0.808 19 K CB 2.262 34.756 32.500 -0.010 0.000 1.265 19 K HN 0.000 nan 8.250 nan 0.000 0.432 20 L N 1.994 123.186 121.223 -0.050 0.000 2.315 20 L HA 0.241 4.582 4.340 0.001 0.000 0.283 20 L C -0.965 175.849 176.870 -0.093 0.000 1.089 20 L CA 0.182 54.961 54.840 -0.102 0.000 0.833 20 L CB 0.385 42.397 42.059 -0.078 0.000 1.170 20 L HN 0.743 nan 8.230 nan 0.000 0.442 21 E N 4.889 124.994 120.200 -0.158 0.000 2.294 21 E HA 0.254 4.605 4.350 0.001 0.000 0.272 21 E C -1.445 175.055 176.600 -0.167 0.000 0.896 21 E CA -0.558 55.792 56.400 -0.083 0.000 0.802 21 E CB 1.653 31.333 29.700 -0.034 0.000 1.267 21 E HN 0.352 nan 8.360 nan 0.000 0.406 22 F N 2.152 122.100 119.950 -0.004 0.000 2.429 22 F HA 0.265 4.792 4.527 0.001 0.000 0.348 22 F C 0.670 176.466 175.800 -0.008 0.000 1.109 22 F CA -0.228 57.767 58.000 -0.008 0.000 1.232 22 F CB 0.501 39.496 39.000 -0.008 0.000 1.157 22 F HN 0.332 nan 8.300 nan 0.000 0.564 23 I N 3.571 124.242 120.570 0.168 0.000 2.371 23 I HA 0.121 4.292 4.170 0.001 0.000 0.290 23 I C -0.032 176.145 176.117 0.100 0.000 1.028 23 I CA -0.145 61.211 61.300 0.092 0.000 1.345 23 I CB 0.544 38.571 38.000 0.045 0.000 1.407 23 I HN 0.454 nan 8.210 nan 0.000 0.501 24 Q N 6.898 126.738 119.800 0.067 0.000 2.230 24 Q HA 0.435 4.776 4.340 0.001 0.000 0.248 24 Q C -2.175 173.842 176.000 0.028 0.000 0.915 24 Q CA -1.838 53.993 55.803 0.046 0.000 0.900 24 Q CB 0.897 29.657 28.738 0.037 0.000 1.229 24 Q HN 0.361 nan 8.270 nan 0.000 0.439 25 P HA 0.115 nan 4.420 nan 0.000 0.275 25 P C -1.098 176.210 177.300 0.014 0.000 1.228 25 P CA -0.196 62.912 63.100 0.014 0.000 0.786 25 P CB 0.452 32.161 31.700 0.015 0.000 0.927 26 N N 0.775 119.481 118.700 0.010 0.000 2.955 26 N HA 0.174 4.915 4.740 0.001 0.000 0.242 26 N C 0.497 176.015 175.510 0.014 0.000 1.123 26 N CA -0.385 52.672 53.050 0.012 0.000 0.949 26 N CB 0.589 39.081 38.487 0.008 0.000 1.214 26 N HN 0.062 nan 8.380 nan 0.000 0.504 27 V N 1.024 120.951 119.914 0.021 0.000 2.949 27 V HA -0.009 4.112 4.120 0.001 0.000 0.245 27 V C 1.715 177.828 176.094 0.032 0.000 1.086 27 V CA 0.655 62.974 62.300 0.031 0.000 1.097 27 V CB -0.059 31.790 31.823 0.043 0.000 0.762 27 V HN 0.514 nan 8.190 nan 0.000 0.470 28 I N 0.003 120.589 120.570 0.026 0.000 2.315 28 I HA -0.073 4.098 4.170 0.001 0.000 0.248 28 I C 1.315 177.446 176.117 0.023 0.000 1.117 28 I CA 1.407 62.721 61.300 0.025 0.000 1.404 28 I CB -0.193 37.819 38.000 0.020 0.000 1.071 28 I HN 0.085 nan 8.210 nan 0.000 0.419 29 S N 1.054 116.766 115.700 0.019 0.000 2.891 29 S HA 0.530 5.001 4.470 0.001 0.000 0.186 29 S C 0.529 175.138 174.600 0.014 0.000 1.401 29 S CA -0.511 57.700 58.200 0.017 0.000 1.035 29 S CB -0.034 63.174 63.200 0.014 0.000 1.293 29 S HN 0.378 nan 8.310 nan 0.000 0.493 30 G N 1.227 110.037 108.800 0.017 0.000 2.588 30 G HA2 0.475 4.436 3.960 0.001 0.000 0.278 30 G HA3 0.475 4.436 3.960 0.001 0.000 0.278 30 G C 0.061 174.965 174.900 0.007 0.000 1.307 30 G CA -0.815 44.292 45.100 0.011 0.000 1.016 30 G HN 0.592 nan 8.290 nan 0.000 0.503 31 I N 2.525 123.094 120.570 -0.002 0.000 2.668 31 I HA 0.059 4.230 4.170 0.001 0.000 0.285 31 I C -1.340 174.780 176.117 0.005 0.000 1.168 31 I CA -0.992 60.305 61.300 -0.004 0.000 1.424 31 I CB 0.804 38.793 38.000 -0.018 0.000 1.377 31 I HN 0.284 nan 8.210 nan 0.000 0.560 32 P HA 0.214 nan 4.420 nan 0.000 0.274 32 P C -0.628 176.695 177.300 0.038 0.000 1.246 32 P CA -0.152 62.964 63.100 0.027 0.000 0.795 32 P CB 0.876 32.596 31.700 0.033 0.000 1.006 33 I N 1.566 122.163 120.570 0.046 0.000 2.307 33 I HA 0.141 4.311 4.170 0.001 0.000 0.289 33 I C 0.265 176.439 176.117 0.096 0.000 1.021 33 I CA -0.999 60.331 61.300 0.050 0.000 1.224 33 I CB 0.276 38.287 38.000 0.018 0.000 1.376 33 I HN 0.307 nan 8.210 nan 0.000 0.470 34 Y N 8.149 128.437 120.300 -0.020 0.000 2.465 34 Y HA 0.284 4.835 4.550 0.001 0.000 0.331 34 Y C -0.002 175.897 175.900 -0.002 0.000 1.102 34 Y CA -0.117 57.977 58.100 -0.009 0.000 1.358 34 Y CB 0.337 38.789 38.460 -0.012 0.000 1.213 34 Y HN 0.522 nan 8.280 nan 0.000 0.525 35 R N 4.310 124.580 120.500 -0.383 0.000 2.744 35 R HA 0.606 4.947 4.340 0.001 0.000 0.279 35 R C -1.073 174.924 176.300 -0.505 0.000 0.977 35 R CA -0.612 55.257 56.100 -0.385 0.000 0.906 35 R CB 1.679 31.891 30.300 -0.147 0.000 1.197 35 R HN 0.672 nan 8.270 nan 0.000 0.463 36 V N 3.074 122.766 119.914 -0.370 0.000 3.013 36 V HA 0.197 4.318 4.120 0.001 0.000 0.238 36 V C 0.469 176.518 176.094 -0.075 0.000 1.161 36 V CA 0.539 62.709 62.300 -0.218 0.000 1.170 36 V CB 0.436 32.166 31.823 -0.154 0.000 0.917 36 V HN 0.724 nan 8.190 nan 0.000 0.478 37 M N 0.709 120.285 119.600 -0.040 0.000 2.535 37 M HA 0.687 5.168 4.480 0.001 0.000 0.314 37 M C -0.993 175.307 176.300 0.001 0.000 1.153 37 M CA -0.870 54.437 55.300 0.013 0.000 0.924 37 M CB 1.839 34.483 32.600 0.074 0.000 1.710 37 M HN 0.194 nan 8.290 nan 0.000 0.451 38 D N 1.416 121.827 120.400 0.019 0.000 2.447 38 D HA 0.257 4.898 4.640 0.001 0.000 0.265 38 D C 0.502 176.821 176.300 0.032 0.000 1.250 38 D CA -0.440 53.569 54.000 0.016 0.000 1.046 38 D CB 0.679 41.487 40.800 0.012 0.000 1.095 38 D HN 0.727 nan 8.370 nan 0.000 0.555 39 R N -1.500 119.018 120.500 0.030 0.000 2.235 39 R HA -0.003 4.338 4.340 0.001 0.000 0.213 39 R C 1.086 177.396 176.300 0.017 0.000 1.059 39 R CA 0.783 56.912 56.100 0.049 0.000 0.997 39 R CB 0.033 30.363 30.300 0.050 0.000 0.884 39 R HN 0.382 nan 8.270 nan 0.000 0.462 40 Q N -0.623 119.153 119.800 -0.039 0.000 2.247 40 Q HA 0.176 4.517 4.340 0.001 0.000 0.205 40 Q C 0.672 176.675 176.000 0.005 0.000 0.896 40 Q CA 0.553 56.269 55.803 -0.145 0.000 0.950 40 Q CB 1.087 29.741 28.738 -0.139 0.000 1.054 40 Q HN 0.436 nan 8.270 nan 0.000 0.482 41 G N 1.395 110.259 108.800 0.107 0.000 2.176 41 G HA2 -0.229 3.731 3.960 0.001 0.000 0.252 41 G HA3 -0.229 3.731 3.960 0.001 0.000 0.252 41 G C -0.096 174.929 174.900 0.209 0.000 1.024 41 G CA 0.021 45.238 45.100 0.195 0.000 0.755 41 G HN 0.222 nan 8.290 nan 0.000 0.507 42 Q N -0.053 119.817 119.800 0.117 0.000 2.241 42 Q HA 0.475 4.816 4.340 0.001 0.000 0.254 42 Q C 0.770 176.824 176.000 0.090 0.000 0.917 42 Q CA -0.902 54.961 55.803 0.100 0.000 0.919 42 Q CB 1.509 30.271 28.738 0.040 0.000 1.237 42 Q HN 0.287 nan 8.270 nan 0.000 0.434 43 I N 3.520 124.147 120.570 0.095 0.000 2.598 43 I HA -0.074 4.097 4.170 0.001 0.000 0.284 43 I C 1.643 177.770 176.117 0.017 0.000 1.140 43 I CA 0.403 61.725 61.300 0.037 0.000 1.420 43 I CB -0.017 37.986 38.000 0.004 0.000 1.387 43 I HN 0.680 nan 8.210 nan 0.000 0.553 44 I N 4.811 125.383 120.570 0.004 0.000 2.400 44 I HA -0.105 4.066 4.170 0.001 0.000 0.248 44 I C 0.844 176.966 176.117 0.010 0.000 1.109 44 I CA 0.922 62.226 61.300 0.005 0.000 1.425 44 I CB 0.001 37.999 38.000 -0.003 0.000 1.094 44 I HN 0.585 nan 8.210 nan 0.000 0.425 45 N N 0.163 118.868 118.700 0.007 0.000 2.576 45 N HA 0.213 4.954 4.740 0.001 0.000 0.269 45 N C -2.132 173.385 175.510 0.011 0.000 1.058 45 N CA -2.049 51.013 53.050 0.019 0.000 0.860 45 N CB 1.597 40.106 38.487 0.038 0.000 1.249 45 N HN -0.251 nan 8.380 nan 0.000 0.525 46 P HA -0.188 nan 4.420 nan 0.000 0.217 46 P C 1.236 178.553 177.300 0.029 0.000 1.151 46 P CA 1.524 64.637 63.100 0.022 0.000 0.849 46 P CB 0.211 31.940 31.700 0.048 0.000 0.787 47 S N -0.987 114.736 115.700 0.038 0.000 2.440 47 S HA -0.165 4.306 4.470 0.001 0.000 0.238 47 S C 1.505 176.128 174.600 0.037 0.000 1.010 47 S CA 1.087 59.314 58.200 0.045 0.000 0.972 47 S CB -0.827 62.398 63.200 0.042 0.000 0.774 47 S HN 0.181 nan 8.310 nan 0.000 0.501 48 E N 1.034 121.249 120.200 0.026 0.000 2.481 48 E HA 0.182 4.533 4.350 0.001 0.000 0.198 48 E C -0.267 176.296 176.600 -0.063 0.000 1.027 48 E CA -0.118 56.307 56.400 0.041 0.000 0.900 48 E CB -0.227 29.543 29.700 0.116 0.000 0.993 48 E HN 0.522 nan 8.360 nan 0.000 0.482 49 D N 2.716 123.009 120.400 -0.178 0.000 2.487 49 D HA -0.031 4.610 4.640 0.001 0.000 0.243 49 D C -1.325 174.719 176.300 -0.427 0.000 1.154 49 D CA -1.236 52.504 54.000 -0.434 0.000 0.876 49 D CB 1.354 41.706 40.800 -0.747 0.000 1.161 49 D HN -0.045 nan 8.370 nan 0.000 0.478 50 P HA -0.060 nan 4.420 nan 0.000 0.236 50 P C -0.224 176.960 177.300 -0.193 0.000 1.177 50 P CA 0.198 63.158 63.100 -0.233 0.000 0.773 50 P CB 0.081 31.647 31.700 -0.223 0.000 0.878 51 H N -0.611 118.354 119.070 -0.175 0.000 2.445 51 H HA -0.138 4.418 4.556 0.001 0.000 0.322 51 H C 0.182 175.484 175.328 -0.043 0.000 1.053 51 H CA 0.191 56.199 56.048 -0.066 0.000 1.109 51 H CB -2.318 27.440 29.762 -0.005 0.000 1.546 51 H HN 0.302 nan 8.280 nan 0.000 0.397 52 L N 2.110 123.288 121.223 -0.076 0.000 2.490 52 L HA 0.095 4.435 4.340 0.001 0.000 0.274 52 L C -1.082 175.862 176.870 0.122 0.000 1.201 52 L CA -1.512 53.312 54.840 -0.027 0.000 0.869 52 L CB 0.183 42.163 42.059 -0.132 0.000 1.123 52 L HN 0.072 nan 8.230 nan 0.000 0.484 53 P HA 0.006 nan 4.420 nan 0.000 0.269 53 P C 0.202 177.426 177.300 -0.126 0.000 1.215 53 P CA -0.411 62.699 63.100 0.018 0.000 0.780 53 P CB 0.771 32.464 31.700 -0.011 0.000 0.898 54 K N 2.140 122.261 120.400 -0.465 0.000 2.089 54 K HA -0.246 4.075 4.320 0.001 0.000 0.210 54 K C 1.798 178.112 176.600 -0.476 0.000 1.048 54 K CA 2.228 57.882 56.287 -1.055 0.000 0.926 54 K CB -0.106 31.493 32.500 -1.501 0.000 0.714 54 K HN 0.624 nan 8.250 nan 0.000 0.448 55 E N 0.516 120.544 120.200 -0.287 0.000 2.106 55 E HA -0.251 4.099 4.350 0.001 0.000 0.192 55 E C 1.991 178.542 176.600 -0.082 0.000 0.984 55 E CA 1.319 57.620 56.400 -0.165 0.000 0.806 55 E CB -0.059 29.569 29.700 -0.120 0.000 0.750 55 E HN 0.265 nan 8.360 nan 0.000 0.458 56 K N 0.511 120.888 120.400 -0.039 0.000 2.057 56 K HA -0.076 4.245 4.320 0.001 0.000 0.206 56 K C 2.066 178.714 176.600 0.079 0.000 1.050 56 K CA 1.276 57.590 56.287 0.045 0.000 0.935 56 K CB 0.081 32.619 32.500 0.064 0.000 0.715 56 K HN 0.062 nan 8.250 nan 0.000 0.439 57 V N 1.525 121.492 119.914 0.088 0.000 2.427 57 V HA -0.228 3.893 4.120 0.001 0.000 0.248 57 V C 2.222 178.380 176.094 0.107 0.000 1.051 57 V CA 1.498 63.912 62.300 0.191 0.000 1.048 57 V CB -0.396 31.703 31.823 0.460 0.000 0.666 57 V HN 0.313 nan 8.190 nan 0.000 0.456 58 L N -0.067 121.160 121.223 0.006 0.000 2.083 58 L HA -0.208 4.133 4.340 0.001 0.000 0.209 58 L C 2.600 179.422 176.870 -0.079 0.000 1.083 58 L CA 1.901 56.691 54.840 -0.085 0.000 0.752 58 L CB -0.591 41.390 42.059 -0.129 0.000 0.899 58 L HN 0.321 nan 8.230 nan 0.000 0.433 59 K N 0.660 121.041 120.400 -0.032 0.000 2.097 59 K HA -0.175 4.146 4.320 0.001 0.000 0.206 59 K C 2.124 178.781 176.600 0.094 0.000 1.049 59 K CA 1.149 57.432 56.287 -0.007 0.000 0.933 59 K CB -0.044 32.457 32.500 0.002 0.000 0.717 59 K HN 0.232 nan 8.250 nan 0.000 0.442 60 L N -0.119 121.195 121.223 0.151 0.000 1.989 60 L HA -0.230 4.111 4.340 0.001 0.000 0.211 60 L C 2.534 179.452 176.870 0.079 0.000 1.071 60 L CA 1.600 56.526 54.840 0.145 0.000 0.749 60 L CB -0.800 41.308 42.059 0.082 0.000 0.890 60 L HN 0.242 nan 8.230 nan 0.000 0.431 61 Y N 1.093 121.333 120.300 -0.100 0.000 2.128 61 Y HA -0.264 4.287 4.550 0.001 0.000 0.284 61 Y C 2.567 178.398 175.900 -0.115 0.000 1.154 61 Y CA 1.654 59.653 58.100 -0.169 0.000 1.149 61 Y CB -0.121 38.121 38.460 -0.363 0.000 0.976 61 Y HN 0.018 nan 8.280 nan 0.000 0.505 62 K N -0.868 119.421 120.400 -0.185 0.000 2.155 62 K HA -0.077 4.244 4.320 0.001 0.000 0.203 62 K C 2.251 178.915 176.600 0.106 0.000 1.052 62 K CA 1.158 57.338 56.287 -0.178 0.000 0.948 62 K CB -0.094 32.087 32.500 -0.531 0.000 0.728 62 K HN 0.167 nan 8.250 nan 0.000 0.448 63 S N 1.254 116.992 115.700 0.062 0.000 2.368 63 S HA -0.105 4.366 4.470 0.001 0.000 0.224 63 S C 1.912 176.558 174.600 0.076 0.000 1.029 63 S CA 1.303 59.571 58.200 0.114 0.000 0.988 63 S CB -0.088 63.216 63.200 0.173 0.000 0.838 63 S HN 0.218 nan 8.310 nan 0.000 0.462 64 M N 1.224 120.834 119.600 0.017 0.000 2.132 64 M HA -0.105 4.375 4.480 0.001 0.000 0.263 64 M C 2.526 178.815 176.300 -0.019 0.000 1.065 64 M CA 1.689 56.984 55.300 -0.010 0.000 1.122 64 M CB -0.854 31.718 32.600 -0.048 0.000 1.365 64 M HN 0.483 nan 8.290 nan 0.000 0.411 65 T N -0.959 113.551 114.554 -0.075 0.000 2.857 65 T HA -0.077 4.274 4.350 0.001 0.000 0.266 65 T C 1.687 176.405 174.700 0.030 0.000 1.048 65 T CA 0.740 62.822 62.100 -0.029 0.000 1.139 65 T CB -0.538 68.312 68.868 -0.030 0.000 0.874 65 T HN 0.196 nan 8.240 nan 0.000 0.455 66 L N 0.684 121.979 121.223 0.119 0.000 2.083 66 L HA 0.150 4.491 4.340 0.001 0.000 0.209 66 L C 2.300 179.155 176.870 -0.025 0.000 1.083 66 L CA 1.280 56.145 54.840 0.041 0.000 0.752 66 L CB -1.086 41.069 42.059 0.159 0.000 0.899 66 L HN 0.279 nan 8.230 nan 0.000 0.433 67 L N -0.144 121.068 121.223 -0.017 0.000 2.017 67 L HA -0.239 4.101 4.340 0.001 0.000 0.208 67 L C 2.364 179.214 176.870 -0.033 0.000 1.073 67 L CA 1.928 56.724 54.840 -0.073 0.000 0.745 67 L CB -1.107 40.917 42.059 -0.058 0.000 0.894 67 L HN 0.482 nan 8.230 nan 0.000 0.432 68 N N -1.229 117.491 118.700 0.032 0.000 2.166 68 N HA -0.191 4.550 4.740 0.001 0.000 0.186 68 N C 1.568 177.124 175.510 0.076 0.000 1.019 68 N CA 1.960 55.084 53.050 0.124 0.000 0.856 68 N CB 0.011 38.575 38.487 0.129 0.000 0.993 68 N HN 0.454 nan 8.380 nan 0.000 0.426 69 T N 1.292 115.836 114.554 -0.017 0.000 2.746 69 T HA -0.117 4.234 4.350 0.001 0.000 0.267 69 T C 1.947 176.604 174.700 -0.072 0.000 1.039 69 T CA 1.153 63.213 62.100 -0.067 0.000 1.142 69 T CB -0.119 68.665 68.868 -0.140 0.000 0.866 69 T HN 0.287 nan 8.240 nan 0.000 0.444 70 M N 0.969 120.522 119.600 -0.079 0.000 2.117 70 M HA -0.143 4.337 4.480 0.001 0.000 0.262 70 M C 1.710 177.965 176.300 -0.074 0.000 1.065 70 M CA 1.693 56.938 55.300 -0.092 0.000 1.114 70 M CB -0.172 32.343 32.600 -0.143 0.000 1.361 70 M HN 0.022 nan 8.290 nan 0.000 0.408 71 D N 0.229 120.622 120.400 -0.011 0.000 2.116 71 D HA -0.174 4.467 4.640 0.001 0.000 0.193 71 D C 2.028 178.357 176.300 0.050 0.000 0.998 71 D CA 1.390 55.414 54.000 0.041 0.000 0.836 71 D CB -0.281 40.460 40.800 -0.099 0.000 0.951 71 D HN 0.411 nan 8.370 nan 0.000 0.449 72 R N -0.038 120.518 120.500 0.094 0.000 2.073 72 R HA -0.054 4.286 4.340 0.001 0.000 0.234 72 R C 2.571 178.856 176.300 -0.025 0.000 1.134 72 R CA 0.837 56.985 56.100 0.080 0.000 0.952 72 R CB -0.247 30.064 30.300 0.018 0.000 0.850 72 R HN 0.252 nan 8.270 nan 0.000 0.433 73 I N 0.477 120.967 120.570 -0.133 0.000 2.202 73 I HA -0.257 3.913 4.170 0.001 0.000 0.242 73 I C 2.106 178.046 176.117 -0.295 0.000 1.091 73 I CA 1.204 62.342 61.300 -0.269 0.000 1.368 73 I CB -0.130 37.653 38.000 -0.361 0.000 1.058 73 I HN 0.139 nan 8.210 nan 0.000 0.410 74 L N -0.855 120.168 121.223 -0.334 0.000 2.156 74 L HA -0.202 4.139 4.340 0.001 0.000 0.208 74 L C 2.611 179.108 176.870 -0.620 0.000 1.095 74 L CA 1.002 55.525 54.840 -0.528 0.000 0.770 74 L CB -0.619 40.874 42.059 -0.943 0.000 0.914 74 L HN 0.236 nan 8.230 nan 0.000 0.439 75 Y N 1.481 121.451 120.300 -0.551 0.000 2.128 75 Y HA -0.353 4.198 4.550 0.001 0.000 0.284 75 Y C 2.636 178.454 175.900 -0.137 0.000 1.154 75 Y CA 2.198 60.166 58.100 -0.220 0.000 1.149 75 Y CB -0.037 38.411 38.460 -0.020 0.000 0.976 75 Y HN 0.174 nan 8.280 nan 0.000 0.505 76 E N -0.258 119.918 120.200 -0.039 0.000 2.085 76 E HA -0.209 4.142 4.350 0.001 0.000 0.194 76 E C 2.468 178.994 176.600 -0.123 0.000 0.994 76 E CA 1.629 57.983 56.400 -0.078 0.000 0.801 76 E CB -0.707 28.966 29.700 -0.045 0.000 0.743 76 E HN 0.370 nan 8.360 nan 0.000 0.453 77 S N -0.660 114.975 115.700 -0.108 0.000 2.370 77 S HA -0.222 4.249 4.470 0.001 0.000 0.226 77 S C 1.947 176.501 174.600 -0.078 0.000 1.033 77 S CA 1.562 59.767 58.200 0.008 0.000 1.011 77 S CB -0.358 62.964 63.200 0.203 0.000 0.852 77 S HN 0.384 nan 8.310 nan 0.000 0.457 78 Q N 0.718 120.405 119.800 -0.188 0.000 2.079 78 Q HA -0.067 4.274 4.340 0.001 0.000 0.200 78 Q C 2.250 178.128 176.000 -0.203 0.000 0.974 78 Q CA 1.117 56.803 55.803 -0.195 0.000 0.840 78 Q CB -0.272 28.326 28.738 -0.234 0.000 0.898 78 Q HN 0.488 nan 8.270 nan 0.000 0.430 79 R N 0.299 120.626 120.500 -0.289 0.000 2.127 79 R HA -0.125 4.216 4.340 0.001 0.000 0.238 79 R C 1.968 178.204 176.300 -0.107 0.000 1.134 79 R CA 1.158 57.126 56.100 -0.220 0.000 0.975 79 R CB -0.242 29.917 30.300 -0.234 0.000 0.865 79 R HN 0.497 nan 8.270 nan 0.000 0.447 80 Q N -0.559 119.194 119.800 -0.078 0.000 2.444 80 Q HA 0.098 4.439 4.340 0.001 0.000 0.206 80 Q C 0.737 176.726 176.000 -0.018 0.000 0.948 80 Q CA 0.468 56.253 55.803 -0.029 0.000 0.946 80 Q CB 0.568 29.307 28.738 0.003 0.000 1.027 80 Q HN 0.543 nan 8.270 nan 0.000 0.513 81 G N 1.561 110.338 108.800 -0.037 0.000 2.155 81 G HA2 -0.340 3.621 3.960 0.001 0.000 0.257 81 G HA3 -0.340 3.621 3.960 0.001 0.000 0.257 81 G C 0.825 175.717 174.900 -0.014 0.000 0.983 81 G CA 0.523 45.609 45.100 -0.024 0.000 0.676 81 G HN 0.329 nan 8.290 nan 0.000 0.528 82 R N -0.283 120.215 120.500 -0.003 0.000 2.115 82 R HA 0.214 4.555 4.340 0.001 0.000 0.226 82 R C 1.699 177.941 176.300 -0.097 0.000 1.100 82 R CA 1.459 57.576 56.100 0.029 0.000 0.980 82 R CB -0.056 30.328 30.300 0.140 0.000 0.875 82 R HN 0.776 nan 8.270 nan 0.000 0.445 83 I N -3.004 117.460 120.570 -0.177 0.000 2.846 83 I HA 0.278 4.449 4.170 0.001 0.000 0.307 83 I C 0.900 176.958 176.117 -0.098 0.000 1.053 83 I CA -0.723 60.428 61.300 -0.248 0.000 1.050 83 I CB 2.245 40.018 38.000 -0.377 0.000 1.239 83 I HN -0.181 nan 8.210 nan 0.000 0.439 84 S N 2.532 118.205 115.700 -0.046 0.000 2.528 84 S HA 0.258 4.728 4.470 0.001 0.000 0.219 84 S C -0.030 174.651 174.600 0.134 0.000 0.985 84 S CA 0.047 58.261 58.200 0.024 0.000 0.914 84 S CB -0.229 62.978 63.200 0.013 0.000 0.776 84 S HN 0.707 nan 8.310 nan 0.000 0.526 85 F N -0.137 119.774 119.950 -0.064 0.000 2.703 85 F HA 0.650 5.178 4.527 0.001 0.000 0.308 85 F C -1.998 173.823 175.800 0.035 0.000 1.126 85 F CA -1.251 56.721 58.000 -0.047 0.000 0.959 85 F CB 1.222 40.174 39.000 -0.080 0.000 1.297 85 F HN 0.040 nan 8.300 nan 0.000 0.441 86 Y N 5.361 125.199 120.300 -0.770 0.000 2.558 86 Y HA 0.705 5.256 4.550 0.001 0.000 0.333 86 Y C -2.025 173.421 175.900 -0.758 0.000 1.125 86 Y CA -1.256 56.497 58.100 -0.579 0.000 1.039 86 Y CB 1.772 40.070 38.460 -0.270 0.000 1.331 86 Y HN 0.550 nan 8.280 nan 0.000 0.456 87 M N 4.666 123.549 119.600 -1.196 0.000 2.259 87 M HA 0.332 4.813 4.480 0.001 0.000 0.304 87 M C -0.254 175.542 176.300 -0.841 0.000 1.019 87 M CA -0.645 54.166 55.300 -0.814 0.000 0.922 87 M CB 1.475 33.670 32.600 -0.675 0.000 1.600 87 M HN 0.803 nan 8.290 nan 0.000 0.433 88 T N -0.804 113.472 114.554 -0.463 0.000 2.824 88 T HA 0.471 4.822 4.350 0.001 0.000 0.277 88 T C 0.616 175.077 174.700 -0.399 0.000 0.975 88 T CA -0.572 61.243 62.100 -0.474 0.000 0.966 88 T CB 1.190 69.613 68.868 -0.741 0.000 1.054 88 T HN 0.606 nan 8.240 nan 0.000 0.533 89 N N -0.523 117.917 118.700 -0.432 0.000 2.200 89 N HA 0.105 4.846 4.740 0.001 0.000 0.224 89 N C -0.913 174.554 175.510 -0.070 0.000 1.179 89 N CA -0.107 52.810 53.050 -0.223 0.000 0.877 89 N CB 0.241 38.615 38.487 -0.190 0.000 1.072 89 N HN 0.539 nan 8.380 nan 0.000 0.519 90 Y N 1.050 121.371 120.300 0.035 0.000 2.620 90 Y HA 0.212 4.763 4.550 0.001 0.000 0.330 90 Y C 1.869 177.838 175.900 0.116 0.000 1.186 90 Y CA 0.521 58.676 58.100 0.092 0.000 1.467 90 Y CB 0.062 38.554 38.460 0.054 0.000 1.262 90 Y HN 0.272 nan 8.280 nan 0.000 0.550 91 G N 2.070 111.063 108.800 0.323 0.000 2.234 91 G HA2 -0.284 3.677 3.960 0.001 0.000 0.260 91 G HA3 -0.284 3.677 3.960 0.001 0.000 0.260 91 G C 0.862 175.809 174.900 0.077 0.000 0.987 91 G CA 0.399 45.591 45.100 0.152 0.000 0.625 91 G HN 0.554 nan 8.290 nan 0.000 0.532 92 E N 0.036 120.303 120.200 0.112 0.000 2.526 92 E HA 0.203 4.553 4.350 0.001 0.000 0.208 92 E C 1.753 178.465 176.600 0.187 0.000 0.997 92 E CA 0.463 56.967 56.400 0.173 0.000 0.961 92 E CB 0.303 30.119 29.700 0.194 0.000 1.030 92 E HN 0.631 nan 8.360 nan 0.000 0.483 93 E N 0.537 120.782 120.200 0.075 0.000 2.110 93 E HA -0.106 4.245 4.350 0.001 0.000 0.193 93 E C 2.032 178.654 176.600 0.037 0.000 0.988 93 E CA 1.364 57.798 56.400 0.057 0.000 0.804 93 E CB -0.307 29.419 29.700 0.044 0.000 0.745 93 E HN 0.280 nan 8.360 nan 0.000 0.458 94 G N 0.442 109.233 108.800 -0.015 0.000 2.396 94 G HA2 -0.240 3.721 3.960 0.001 0.000 0.214 94 G HA3 -0.240 3.721 3.960 0.001 0.000 0.214 94 G C 1.756 176.643 174.900 -0.021 0.000 1.166 94 G CA 1.292 46.368 45.100 -0.040 0.000 0.793 94 G HN 0.414 nan 8.290 nan 0.000 0.533 95 T N -0.966 113.586 114.554 -0.003 0.000 2.720 95 T HA -0.174 4.177 4.350 0.001 0.000 0.268 95 T C 2.060 176.556 174.700 -0.340 0.000 1.037 95 T CA 1.816 63.879 62.100 -0.062 0.000 1.144 95 T CB -0.503 68.354 68.868 -0.017 0.000 0.864 95 T HN 0.430 nan 8.240 nan 0.000 0.444 96 H N 0.170 119.167 119.070 -0.122 0.000 2.384 96 H HA 0.275 4.831 4.556 0.001 0.000 0.300 96 H C 2.465 177.715 175.328 -0.130 0.000 1.057 96 H CA 1.130 57.058 56.048 -0.201 0.000 1.370 96 H CB -0.232 29.406 29.762 -0.205 0.000 1.417 96 H HN 0.176 nan 8.280 nan 0.000 0.527 97 V N 0.055 119.979 119.914 0.017 0.000 2.379 97 V HA -0.118 4.003 4.120 0.001 0.000 0.245 97 V C 2.570 178.574 176.094 -0.150 0.000 1.044 97 V CA 1.778 64.058 62.300 -0.033 0.000 1.036 97 V CB -0.914 30.942 31.823 0.055 0.000 0.664 97 V HN 0.638 nan 8.190 nan 0.000 0.453 98 G N 0.484 109.243 108.800 -0.068 0.000 2.418 98 G HA2 -0.271 3.690 3.960 0.001 0.000 0.217 98 G HA3 -0.271 3.690 3.960 0.001 0.000 0.217 98 G C 1.876 176.796 174.900 0.033 0.000 1.158 98 G CA 1.432 46.540 45.100 0.013 0.000 0.771 98 G HN 0.632 nan 8.290 nan 0.000 0.545 99 S N 1.172 116.838 115.700 -0.058 0.000 2.371 99 S HA 0.230 4.701 4.470 0.001 0.000 0.224 99 S C 2.637 177.185 174.600 -0.085 0.000 1.029 99 S CA 1.321 59.476 58.200 -0.076 0.000 0.978 99 S CB -0.498 62.555 63.200 -0.245 0.000 0.833 99 S HN 0.563 nan 8.310 nan 0.000 0.466 100 A N 2.279 125.030 122.820 -0.115 0.000 1.940 100 A HA 0.233 4.554 4.320 0.001 0.000 0.219 100 A C 2.493 179.899 177.584 -0.297 0.000 1.176 100 A CA 1.801 53.771 52.037 -0.112 0.000 0.631 100 A CB -1.454 17.507 19.000 -0.066 0.000 0.814 100 A HN 0.888 nan 8.150 nan 0.000 0.446 101 A N -0.557 121.919 122.820 -0.573 0.000 2.070 101 A HA 0.249 4.570 4.320 0.001 0.000 0.220 101 A C 2.222 179.866 177.584 0.100 0.000 1.159 101 A CA 1.683 53.450 52.037 -0.451 0.000 0.656 101 A CB -0.626 18.171 19.000 -0.339 0.000 0.800 101 A HN 1.057 nan 8.150 nan 0.000 0.453 102 A N -0.943 121.876 122.820 -0.001 0.000 2.218 102 A HA 0.464 4.785 4.320 0.001 0.000 0.209 102 A C 0.840 178.361 177.584 -0.106 0.000 1.168 102 A CA -0.087 51.829 52.037 -0.202 0.000 0.804 102 A CB -0.243 18.439 19.000 -0.530 0.000 0.834 102 A HN 0.424 nan 8.150 nan 0.000 0.482 103 L N 0.260 121.465 121.223 -0.030 0.000 2.399 103 L HA 0.314 4.655 4.340 0.001 0.000 0.265 103 L C -0.585 176.310 176.870 0.042 0.000 1.089 103 L CA -1.036 53.803 54.840 -0.001 0.000 0.802 103 L CB 0.575 42.654 42.059 0.033 0.000 1.180 103 L HN 0.059 nan 8.230 nan 0.000 0.454 104 D N 0.581 120.995 120.400 0.023 0.000 2.341 104 D HA 0.049 4.689 4.640 0.001 0.000 0.245 104 D C 0.974 177.307 176.300 0.054 0.000 1.106 104 D CA -0.109 53.912 54.000 0.034 0.000 0.905 104 D CB 0.675 41.474 40.800 -0.001 0.000 1.202 104 D HN 0.384 nan 8.370 nan 0.000 0.426 105 N N 0.338 119.086 118.700 0.079 0.000 2.272 105 N HA -0.147 4.593 4.740 0.001 0.000 0.185 105 N C 1.334 176.891 175.510 0.079 0.000 1.014 105 N CA 1.211 54.330 53.050 0.115 0.000 0.870 105 N CB -0.070 38.488 38.487 0.118 0.000 0.975 105 N HN 0.508 nan 8.380 nan 0.000 0.433 106 T N -2.237 112.278 114.554 -0.064 0.000 3.086 106 T HA 0.073 4.424 4.350 0.001 0.000 0.250 106 T C 0.210 174.707 174.700 -0.339 0.000 1.074 106 T CA -0.422 61.443 62.100 -0.392 0.000 0.988 106 T CB 0.097 68.732 68.868 -0.387 0.000 0.988 106 T HN -0.144 nan 8.240 nan 0.000 0.530 107 D N 2.112 122.445 120.400 -0.111 0.000 2.458 107 D HA 0.199 4.839 4.640 0.001 0.000 0.243 107 D C -0.147 176.159 176.300 0.009 0.000 1.146 107 D CA -0.251 53.720 54.000 -0.048 0.000 0.877 107 D CB 0.919 41.714 40.800 -0.007 0.000 1.176 107 D HN 0.219 nan 8.370 nan 0.000 0.461 108 L N 3.416 124.656 121.223 0.028 0.000 2.331 108 L HA 0.200 4.541 4.340 0.001 0.000 0.278 108 L C -0.733 176.184 176.870 0.080 0.000 1.106 108 L CA -0.248 54.633 54.840 0.069 0.000 0.824 108 L CB 1.293 43.405 42.059 0.088 0.000 1.142 108 L HN 0.086 nan 8.230 nan 0.000 0.443 109 V N 5.908 125.822 119.914 0.001 0.000 2.435 109 V HA 0.456 4.576 4.120 0.001 0.000 0.290 109 V C -0.442 175.481 176.094 -0.284 0.000 1.030 109 V CA -0.410 61.885 62.300 -0.008 0.000 0.881 109 V CB 1.291 33.136 31.823 0.038 0.000 0.983 109 V HN 0.513 nan 8.190 nan 0.000 0.445 110 F N 2.340 122.234 119.950 -0.093 0.000 2.508 110 F HA 0.899 5.426 4.527 0.001 0.000 0.325 110 F C 0.751 176.552 175.800 0.003 0.000 1.090 110 F CA -0.059 57.873 58.000 -0.113 0.000 0.945 110 F CB 2.350 41.340 39.000 -0.018 0.000 1.156 110 F HN 0.688 nan 8.300 nan 0.000 0.463 111 G N 1.278 110.133 108.800 0.091 0.000 2.677 111 G HA2 0.494 4.454 3.960 0.001 0.000 0.283 111 G HA3 0.494 4.454 3.960 0.001 0.000 0.283 111 G C -1.282 173.675 174.900 0.094 0.000 1.221 111 G CA -0.232 44.982 45.100 0.190 0.000 0.851 111 G HN 0.562 nan 8.290 nan 0.000 0.504 112 Q N -2.950 116.897 119.800 0.079 0.000 2.012 112 Q HA 0.317 4.658 4.340 0.001 0.000 0.206 112 Q C 0.730 176.755 176.000 0.041 0.000 0.627 112 Q CA -0.273 55.492 55.803 -0.063 0.000 0.597 112 Q CB 0.148 28.744 28.738 -0.236 0.000 2.100 112 Q HN 0.354 nan 8.270 nan 0.000 0.196 113 Y N 0.294 120.600 120.300 0.011 0.000 2.500 113 Y HA 0.282 4.832 4.550 0.001 0.000 0.270 113 Y C 0.945 176.796 175.900 -0.083 0.000 1.134 113 Y CA 0.530 58.605 58.100 -0.042 0.000 1.293 113 Y CB 0.745 39.197 38.460 -0.012 0.000 1.063 113 Y HN 0.161 nan 8.280 nan 0.000 0.534 114 R N 0.083 120.613 120.500 0.051 0.000 2.586 114 R HA 0.181 4.522 4.340 0.001 0.000 0.336 114 R C 0.067 176.007 176.300 -0.602 0.000 1.060 114 R CA 0.130 56.129 56.100 -0.169 0.000 1.079 114 R CB 0.286 30.550 30.300 -0.059 0.000 1.317 114 R HN 0.194 nan 8.270 nan 0.000 0.568 115 E N 0.220 120.230 120.200 -0.317 0.000 2.501 115 E HA 0.248 4.599 4.350 0.001 0.000 0.201 115 E C 1.335 177.880 176.600 -0.092 0.000 1.016 115 E CA 0.099 56.301 56.400 -0.329 0.000 0.920 115 E CB 0.697 30.416 29.700 0.032 0.000 1.023 115 E HN 0.206 nan 8.360 nan 0.000 0.474 116 A N 0.485 123.259 122.820 -0.077 0.000 1.978 116 A HA -0.124 4.197 4.320 0.001 0.000 0.220 116 A C 2.266 179.820 177.584 -0.050 0.000 1.170 116 A CA 1.741 53.765 52.037 -0.021 0.000 0.636 116 A CB -0.959 18.018 19.000 -0.039 0.000 0.810 116 A HN 0.365 nan 8.150 nan 0.000 0.448 117 G N -0.662 108.081 108.800 -0.096 0.000 2.448 117 G HA2 -0.081 3.880 3.960 0.001 0.000 0.219 117 G HA3 -0.081 3.880 3.960 0.001 0.000 0.219 117 G C 1.438 176.398 174.900 0.100 0.000 1.127 117 G CA 1.160 46.267 45.100 0.011 0.000 0.766 117 G HN 0.338 nan 8.290 nan 0.000 0.552 118 V N 0.762 120.724 119.914 0.080 0.000 2.307 118 V HA -0.114 4.007 4.120 0.001 0.000 0.245 118 V C 2.871 179.035 176.094 0.116 0.000 1.045 118 V CA 1.356 63.748 62.300 0.153 0.000 1.024 118 V CB -0.450 31.514 31.823 0.236 0.000 0.651 118 V HN 0.341 nan 8.190 nan 0.000 0.449 119 L N -1.194 119.966 121.223 -0.104 0.000 2.046 119 L HA -0.236 4.105 4.340 0.001 0.000 0.208 119 L C 2.509 179.429 176.870 0.083 0.000 1.077 119 L CA 1.874 56.571 54.840 -0.239 0.000 0.747 119 L CB -0.435 41.214 42.059 -0.682 0.000 0.896 119 L HN 0.364 nan 8.230 nan 0.000 0.432 120 M N -1.136 118.608 119.600 0.239 0.000 2.117 120 M HA -0.272 4.209 4.480 0.001 0.000 0.262 120 M C 2.179 178.583 176.300 0.173 0.000 1.065 120 M CA 1.809 57.270 55.300 0.268 0.000 1.114 120 M CB -0.581 32.129 32.600 0.184 0.000 1.361 120 M HN 0.173 nan 8.290 nan 0.000 0.408 121 Y N 0.474 120.827 120.300 0.088 0.000 2.207 121 Y HA -0.147 4.404 4.550 0.001 0.000 0.287 121 Y C 1.654 177.601 175.900 0.078 0.000 1.156 121 Y CA 1.826 59.972 58.100 0.078 0.000 1.182 121 Y CB -0.104 38.403 38.460 0.078 0.000 0.979 121 Y HN 0.186 nan 8.280 nan 0.000 0.521 122 R N 0.751 121.311 120.500 0.101 0.000 2.325 122 R HA -0.027 4.314 4.340 0.001 0.000 0.214 122 R C -0.446 175.861 176.300 0.012 0.000 0.961 122 R CA 0.809 56.940 56.100 0.052 0.000 1.086 122 R CB -0.198 30.175 30.300 0.121 0.000 1.037 122 R HN 0.334 nan 8.270 nan 0.000 0.493 123 D N -0.645 119.757 120.400 0.003 0.000 2.907 123 D HA -0.242 4.399 4.640 0.001 0.000 0.226 123 D C -0.789 175.534 176.300 0.038 0.000 1.141 123 D CA 0.889 54.896 54.000 0.012 0.000 0.779 123 D CB -1.485 39.297 40.800 -0.029 0.000 1.095 123 D HN 0.280 nan 8.370 nan 0.000 0.430 124 Y N 0.967 121.187 120.300 -0.134 0.000 2.526 124 Y HA 0.292 4.843 4.550 0.001 0.000 0.330 124 Y C -1.851 173.911 175.900 -0.230 0.000 1.156 124 Y CA -1.560 56.360 58.100 -0.300 0.000 1.419 124 Y CB 0.560 38.641 38.460 -0.631 0.000 1.250 124 Y HN -0.119 nan 8.280 nan 0.000 0.540 125 P HA 0.029 nan 4.420 nan 0.000 0.268 125 P C 0.694 177.857 177.300 -0.228 0.000 1.204 125 P CA 0.251 63.160 63.100 -0.318 0.000 0.768 125 P CB 0.719 32.209 31.700 -0.350 0.000 0.842 126 L N 1.826 123.075 121.223 0.044 0.000 2.081 126 L HA -0.238 4.102 4.340 0.001 0.000 0.212 126 L C 2.294 179.220 176.870 0.093 0.000 1.080 126 L CA 1.689 56.643 54.840 0.191 0.000 0.754 126 L CB -0.670 41.463 42.059 0.123 0.000 0.893 126 L HN 0.534 nan 8.230 nan 0.000 0.433 127 E N 0.637 120.816 120.200 -0.035 0.000 2.160 127 E HA -0.228 4.123 4.350 0.001 0.000 0.195 127 E C 2.211 178.761 176.600 -0.084 0.000 0.991 127 E CA 1.126 57.493 56.400 -0.054 0.000 0.810 127 E CB 0.040 29.689 29.700 -0.084 0.000 0.742 127 E HN 0.547 nan 8.360 nan 0.000 0.466 128 L N -0.544 120.518 121.223 -0.269 0.000 2.249 128 L HA -0.003 4.338 4.340 0.001 0.000 0.207 128 L C 2.157 178.978 176.870 -0.081 0.000 1.090 128 L CA 0.110 54.756 54.840 -0.324 0.000 0.802 128 L CB -0.319 41.264 42.059 -0.793 0.000 0.947 128 L HN 0.112 nan 8.230 nan 0.000 0.453 129 F N 0.275 120.179 119.950 -0.075 0.000 2.065 129 F HA -0.287 4.241 4.527 0.001 0.000 0.298 129 F C 2.669 178.630 175.800 0.268 0.000 1.112 129 F CA 1.529 59.574 58.000 0.075 0.000 1.212 129 F CB -0.513 38.461 39.000 -0.043 0.000 0.975 129 F HN 0.005 nan 8.300 nan 0.000 0.476 130 M N -0.332 119.503 119.600 0.392 0.000 2.159 130 M HA -0.134 4.347 4.480 0.001 0.000 0.263 130 M C 2.520 179.020 176.300 0.333 0.000 1.063 130 M CA 1.653 57.168 55.300 0.359 0.000 1.110 130 M CB -1.756 30.982 32.600 0.230 0.000 1.374 130 M HN 0.214 nan 8.290 nan 0.000 0.411 131 A N -0.240 122.704 122.820 0.206 0.000 1.933 131 A HA -0.189 4.132 4.320 0.001 0.000 0.218 131 A C 2.240 179.949 177.584 0.209 0.000 1.175 131 A CA 1.478 53.611 52.037 0.159 0.000 0.628 131 A CB -0.677 18.365 19.000 0.071 0.000 0.814 131 A HN 0.491 nan 8.150 nan 0.000 0.444 132 Q N -0.219 119.748 119.800 0.278 0.000 2.046 132 Q HA -0.162 4.179 4.340 0.001 0.000 0.200 132 Q C 2.252 178.385 176.000 0.222 0.000 0.975 132 Q CA 1.996 57.966 55.803 0.278 0.000 0.836 132 Q CB -0.594 28.401 28.738 0.428 0.000 0.896 132 Q HN 0.676 nan 8.270 nan 0.000 0.428 133 C N -0.140 119.328 119.300 0.279 0.000 2.422 133 C HA -0.133 4.328 4.460 0.001 0.000 0.279 133 C C 2.297 177.228 174.990 -0.098 0.000 1.305 133 C CA 0.436 59.527 59.018 0.122 0.000 1.757 133 C CB -1.297 26.547 27.740 0.173 0.000 1.962 133 C HN 0.493 nan 8.230 nan 0.000 0.499 134 Y N 0.278 120.615 120.300 0.061 0.000 2.482 134 Y HA 0.247 4.798 4.550 0.001 0.000 0.270 134 Y C 2.008 177.892 175.900 -0.027 0.000 1.152 134 Y CA 0.785 58.876 58.100 -0.015 0.000 1.292 134 Y CB -0.446 37.968 38.460 -0.078 0.000 1.070 134 Y HN 0.364 nan 8.280 nan 0.000 0.528 135 G N 1.770 110.635 108.800 0.109 0.000 2.305 135 G HA2 -0.367 3.593 3.960 0.001 0.000 0.287 135 G HA3 -0.367 3.593 3.960 0.001 0.000 0.287 135 G C -0.130 174.792 174.900 0.036 0.000 1.036 135 G CA 0.439 45.577 45.100 0.063 0.000 0.887 135 G HN 0.540 nan 8.290 nan 0.000 0.505 136 N N -0.624 118.107 118.700 0.051 0.000 2.448 136 N HA 0.532 5.273 4.740 0.001 0.000 0.274 136 N C 1.831 177.337 175.510 -0.005 0.000 1.239 136 N CA -0.590 52.454 53.050 -0.011 0.000 0.982 136 N CB 0.251 38.717 38.487 -0.035 0.000 1.199 136 N HN 0.579 nan 8.380 nan 0.000 0.576 137 I N -3.531 117.023 120.570 -0.026 0.000 2.530 137 I HA -0.130 4.041 4.170 0.001 0.000 0.257 137 I C 1.027 177.146 176.117 0.003 0.000 1.179 137 I CA 1.159 62.456 61.300 -0.005 0.000 1.440 137 I CB -0.448 37.546 38.000 -0.010 0.000 1.087 137 I HN 0.326 nan 8.210 nan 0.000 0.440 138 S N -0.094 115.603 115.700 -0.005 0.000 2.561 138 S HA -0.044 4.427 4.470 0.001 0.000 0.225 138 S C 0.619 175.227 174.600 0.013 0.000 0.977 138 S CA 0.256 58.453 58.200 -0.006 0.000 0.926 138 S CB -0.668 62.517 63.200 -0.025 0.000 0.769 138 S HN 0.554 nan 8.310 nan 0.000 0.533 139 D N 1.336 121.758 120.400 0.037 0.000 2.339 139 D HA 0.131 4.772 4.640 0.001 0.000 0.256 139 D C 0.917 177.255 176.300 0.063 0.000 1.214 139 D CA -0.032 54.009 54.000 0.068 0.000 0.877 139 D CB 0.413 41.266 40.800 0.088 0.000 1.111 139 D HN 0.077 nan 8.370 nan 0.000 0.478 140 L N 3.152 124.417 121.223 0.070 0.000 2.362 140 L HA 0.063 4.403 4.340 0.001 0.000 0.219 140 L C 2.196 179.108 176.870 0.071 0.000 1.134 140 L CA 0.766 55.644 54.840 0.063 0.000 0.807 140 L CB -0.097 41.999 42.059 0.063 0.000 0.927 140 L HN 0.559 nan 8.230 nan 0.000 0.447 141 G N -0.625 108.228 108.800 0.089 0.000 2.848 141 G HA2 -0.090 3.870 3.960 0.001 0.000 0.208 141 G HA3 -0.090 3.870 3.960 0.001 0.000 0.208 141 G C 0.880 175.818 174.900 0.064 0.000 1.152 141 G CA -0.170 44.979 45.100 0.081 0.000 0.789 141 G HN 0.383 nan 8.290 nan 0.000 0.531 142 K N -1.545 118.893 120.400 0.062 0.000 3.160 142 K HA -0.200 4.120 4.320 0.001 0.000 0.280 142 K C 1.311 177.945 176.600 0.057 0.000 1.154 142 K CA 0.343 56.664 56.287 0.057 0.000 0.822 142 K CB -1.698 30.833 32.500 0.052 0.000 1.239 142 K HN 1.038 nan 8.250 nan 0.000 0.489 143 G N 0.114 108.948 108.800 0.058 0.000 2.179 143 G HA2 -0.383 3.578 3.960 0.001 0.000 0.257 143 G HA3 -0.383 3.578 3.960 0.001 0.000 0.257 143 G C 0.686 175.605 174.900 0.031 0.000 1.010 143 G CA 0.891 46.022 45.100 0.051 0.000 0.736 143 G HN 0.510 nan 8.290 nan 0.000 0.513 144 R N -0.808 119.703 120.500 0.018 0.000 2.173 144 R HA 0.153 4.494 4.340 0.001 0.000 0.208 144 R C 1.340 177.613 176.300 -0.046 0.000 1.035 144 R CA 0.606 56.699 56.100 -0.010 0.000 1.004 144 R CB 0.153 30.448 30.300 -0.010 0.000 0.917 144 R HN 0.515 nan 8.270 nan 0.000 0.462 145 Q N 0.248 120.016 119.800 -0.052 0.000 2.248 145 Q HA 0.284 4.625 4.340 0.001 0.000 0.263 145 Q C -0.149 175.716 176.000 -0.226 0.000 1.007 145 Q CA -0.600 55.112 55.803 -0.151 0.000 0.877 145 Q CB 2.080 30.767 28.738 -0.086 0.000 1.315 145 Q HN 0.027 nan 8.270 nan 0.000 0.454 146 M N 1.485 120.813 119.600 -0.454 0.000 2.081 146 M HA 0.058 4.539 4.480 0.001 0.000 0.259 146 M C -2.031 174.135 176.300 -0.222 0.000 1.274 146 M CA -0.868 54.193 55.300 -0.398 0.000 1.103 146 M CB -0.163 32.051 32.600 -0.643 0.000 1.349 146 M HN 0.298 nan 8.290 nan 0.000 0.435 147 P HA 0.029 nan 4.420 nan 0.000 0.272 147 P C -0.154 177.266 177.300 0.200 0.000 1.240 147 P CA 0.021 63.193 63.100 0.120 0.000 0.791 147 P CB 0.409 32.218 31.700 0.180 0.000 0.978 148 V N -1.945 117.888 119.914 -0.134 0.000 3.191 148 V HA -0.268 3.853 4.120 0.001 0.000 0.181 148 V C -0.303 175.456 176.094 -0.559 0.000 0.444 148 V CA 1.570 63.449 62.300 -0.701 0.000 1.114 148 V CB -3.308 28.274 31.823 -0.401 0.000 1.275 148 V HN 0.632 nan 8.190 nan 0.000 1.153 149 H N 0.558 119.409 119.070 -0.364 0.000 2.588 149 H HA 0.636 5.193 4.556 0.001 0.000 0.223 149 H C 0.087 175.406 175.328 -0.016 0.000 1.804 149 H CA -0.422 55.578 56.048 -0.080 0.000 1.269 149 H CB -0.369 29.396 29.762 0.005 0.000 1.670 149 H HN 0.692 nan 8.280 nan 0.000 0.539 150 Y N 0.020 120.455 120.300 0.225 0.000 2.326 150 Y HA 0.519 5.069 4.550 0.001 0.000 0.333 150 Y C 1.307 177.294 175.900 0.146 0.000 1.240 150 Y CA -0.515 57.658 58.100 0.123 0.000 1.365 150 Y CB 1.184 39.627 38.460 -0.028 0.000 1.289 150 Y HN 0.490 nan 8.280 nan 0.000 0.548 151 G N -0.663 108.260 108.800 0.205 0.000 2.703 151 G HA2 0.471 4.432 3.960 0.001 0.000 0.294 151 G HA3 0.471 4.432 3.960 0.001 0.000 0.294 151 G C -2.236 172.666 174.900 0.004 0.000 1.451 151 G CA -0.722 44.490 45.100 0.188 0.000 0.869 151 G HN 0.829 nan 8.290 nan 0.000 0.516 152 C N 2.461 121.763 119.300 0.004 0.000 2.727 152 C HA 0.576 5.037 4.460 0.001 0.000 0.369 152 C C 1.274 176.243 174.990 -0.036 0.000 1.067 152 C CA -0.708 58.286 59.018 -0.040 0.000 1.273 152 C CB 0.819 28.451 27.740 -0.179 0.000 1.778 152 C HN 1.023 nan 8.230 nan 0.000 0.467 153 K N 2.594 122.968 120.400 -0.043 0.000 2.057 153 K HA -0.143 4.178 4.320 0.001 0.000 0.206 153 K C 1.812 178.266 176.600 -0.243 0.000 1.050 153 K CA 2.097 58.322 56.287 -0.103 0.000 0.935 153 K CB -0.047 32.419 32.500 -0.056 0.000 0.715 153 K HN 0.888 nan 8.250 nan 0.000 0.439 154 E N 0.481 120.582 120.200 -0.165 0.000 2.118 154 E HA -0.192 4.159 4.350 0.001 0.000 0.195 154 E C 1.038 177.465 176.600 -0.289 0.000 0.992 154 E CA 1.177 57.461 56.400 -0.194 0.000 0.804 154 E CB 0.190 29.852 29.700 -0.064 0.000 0.741 154 E HN 0.229 nan 8.360 nan 0.000 0.458 155 R N -0.475 119.918 120.500 -0.179 0.000 2.552 155 R HA 0.127 4.467 4.340 0.001 0.000 0.314 155 R C -0.484 175.844 176.300 0.047 0.000 1.041 155 R CA -0.014 56.060 56.100 -0.043 0.000 1.076 155 R CB 0.236 30.543 30.300 0.011 0.000 1.290 155 R HN 0.243 nan 8.270 nan 0.000 0.563 156 H N -0.603 118.505 119.070 0.064 0.000 2.677 156 H HA -0.237 4.319 4.556 0.001 0.000 0.321 156 H C -1.059 174.305 175.328 0.060 0.000 1.171 156 H CA 0.902 56.975 56.048 0.042 0.000 1.139 156 H CB -1.667 28.121 29.762 0.043 0.000 1.515 156 H HN 0.241 nan 8.280 nan 0.000 0.423 157 F N 0.686 120.590 119.950 -0.076 0.000 2.610 157 F HA 0.386 4.913 4.527 0.001 0.000 0.355 157 F C -0.282 175.416 175.800 -0.170 0.000 1.140 157 F CA -0.758 57.175 58.000 -0.111 0.000 1.037 157 F CB 0.858 39.778 39.000 -0.132 0.000 1.287 157 F HN -0.091 nan 8.300 nan 0.000 0.457 158 V N 4.428 124.073 119.914 -0.449 0.000 2.585 158 V HA 0.048 4.169 4.120 0.001 0.000 0.296 158 V C 0.691 176.664 176.094 -0.203 0.000 1.035 158 V CA -0.101 61.957 62.300 -0.403 0.000 1.084 158 V CB 0.746 32.040 31.823 -0.881 0.000 0.953 158 V HN 0.765 nan 8.190 nan 0.000 0.483 159 T N 7.008 121.545 114.554 -0.029 0.000 2.800 159 T HA 0.053 4.404 4.350 0.001 0.000 0.283 159 T C 0.317 175.046 174.700 0.047 0.000 0.999 159 T CA -0.197 61.949 62.100 0.076 0.000 1.176 159 T CB -0.326 68.587 68.868 0.075 0.000 0.973 159 T HN 0.281 nan 8.240 nan 0.000 0.519 160 I N 3.880 124.504 120.570 0.090 0.000 2.815 160 I HA 0.111 4.282 4.170 0.001 0.000 0.291 160 I C 1.066 177.192 176.117 0.014 0.000 1.209 160 I CA 0.038 61.346 61.300 0.014 0.000 1.431 160 I CB 0.034 38.023 38.000 -0.019 0.000 1.351 160 I HN 0.791 nan 8.210 nan 0.000 0.585 161 S N 3.057 118.739 115.700 -0.028 0.000 2.599 161 S HA 0.496 4.967 4.470 0.001 0.000 0.287 161 S C 0.634 175.206 174.600 -0.046 0.000 1.105 161 S CA -0.537 57.691 58.200 0.047 0.000 0.899 161 S CB 1.694 64.923 63.200 0.048 0.000 1.100 161 S HN 0.455 nan 8.310 nan 0.000 0.482 162 S N 1.109 116.877 115.700 0.114 0.000 2.383 162 S HA 0.109 4.580 4.470 0.001 0.000 0.227 162 S C -2.018 172.557 174.600 -0.041 0.000 1.026 162 S CA 0.563 58.816 58.200 0.089 0.000 0.981 162 S CB -1.501 61.840 63.200 0.235 0.000 0.818 162 S HN 0.662 nan 8.310 nan 0.000 0.472 163 P HA 0.127 nan 4.420 nan 0.000 0.261 163 P C -0.509 176.751 177.300 -0.067 0.000 1.203 163 P CA 0.158 63.238 63.100 -0.034 0.000 0.767 163 P CB 0.096 31.782 31.700 -0.024 0.000 0.785 164 L N 2.764 123.949 121.223 -0.063 0.000 2.483 164 L HA 0.154 4.495 4.340 0.001 0.000 0.276 164 L C 1.485 178.315 176.870 -0.066 0.000 1.213 164 L CA 0.550 55.350 54.840 -0.068 0.000 0.843 164 L CB -0.241 41.802 42.059 -0.026 0.000 1.107 164 L HN 0.603 nan 8.230 nan 0.000 0.487 165 A N 0.721 123.502 122.820 -0.065 0.000 3.661 165 A HA -0.275 4.046 4.320 0.001 0.000 0.269 165 A C 1.716 179.220 177.584 -0.134 0.000 1.056 165 A CA 1.607 53.572 52.037 -0.120 0.000 1.159 165 A CB -2.404 16.492 19.000 -0.173 0.000 1.105 165 A HN 0.936 nan 8.150 nan 0.000 0.907 166 T N -0.797 113.701 114.554 -0.093 0.000 2.849 166 T HA -0.216 4.134 4.350 0.001 0.000 0.270 166 T C 1.795 176.444 174.700 -0.084 0.000 1.066 166 T CA 1.726 63.773 62.100 -0.089 0.000 1.130 166 T CB -0.483 68.352 68.868 -0.055 0.000 0.864 166 T HN 1.137 nan 8.240 nan 0.000 0.481 167 Q N 1.470 121.245 119.800 -0.041 0.000 2.369 167 Q HA 0.013 4.354 4.340 0.001 0.000 0.206 167 Q C 2.151 178.058 176.000 -0.156 0.000 0.963 167 Q CA 0.850 56.644 55.803 -0.014 0.000 0.894 167 Q CB -0.730 28.100 28.738 0.153 0.000 0.965 167 Q HN 0.628 nan 8.270 nan 0.000 0.475 168 I N 2.401 122.883 120.570 -0.147 0.000 2.133 168 I HA -0.162 4.009 4.170 0.001 0.000 0.238 168 I C -0.336 175.684 176.117 -0.163 0.000 1.074 168 I CA 1.330 62.543 61.300 -0.145 0.000 1.342 168 I CB -1.634 36.184 38.000 -0.304 0.000 1.053 168 I HN 0.155 nan 8.210 nan 0.000 0.404 169 P HA -0.148 nan 4.420 nan 0.000 0.221 169 P C 1.361 178.509 177.300 -0.253 0.000 1.150 169 P CA 1.439 64.377 63.100 -0.270 0.000 0.800 169 P CB -0.051 31.422 31.700 -0.379 0.000 0.787 170 Q N 0.179 119.812 119.800 -0.278 0.000 2.050 170 Q HA -0.100 4.241 4.340 0.001 0.000 0.202 170 Q C 2.479 178.123 176.000 -0.594 0.000 0.980 170 Q CA 1.763 57.380 55.803 -0.311 0.000 0.840 170 Q CB -0.787 27.828 28.738 -0.204 0.000 0.898 170 Q HN 0.184 nan 8.270 nan 0.000 0.424 171 A N 0.513 122.746 122.820 -0.978 0.000 1.940 171 A HA -0.166 4.155 4.320 0.001 0.000 0.219 171 A C 2.353 179.703 177.584 -0.391 0.000 1.176 171 A CA 1.508 52.880 52.037 -1.109 0.000 0.631 171 A CB -0.766 17.767 19.000 -0.778 0.000 0.814 171 A HN 0.223 nan 8.150 nan 0.000 0.446 172 V N -0.161 119.625 119.914 -0.214 0.000 2.343 172 V HA -0.176 3.944 4.120 0.001 0.000 0.247 172 V C 2.811 178.913 176.094 0.013 0.000 1.051 172 V CA 1.920 64.188 62.300 -0.052 0.000 1.036 172 V CB -1.474 30.383 31.823 0.056 0.000 0.654 172 V HN 0.615 nan 8.190 nan 0.000 0.451 173 G N -0.306 108.481 108.800 -0.021 0.000 2.418 173 G HA2 -0.217 3.744 3.960 0.001 0.000 0.217 173 G HA3 -0.217 3.744 3.960 0.001 0.000 0.217 173 G C 1.774 176.734 174.900 0.100 0.000 1.158 173 G CA 1.053 46.184 45.100 0.052 0.000 0.771 173 G HN 0.607 nan 8.290 nan 0.000 0.545 174 A N 1.093 123.945 122.820 0.053 0.000 1.933 174 A HA 0.266 4.587 4.320 0.001 0.000 0.218 174 A C 2.792 180.437 177.584 0.101 0.000 1.175 174 A CA 2.249 54.362 52.037 0.125 0.000 0.628 174 A CB -0.703 18.452 19.000 0.259 0.000 0.814 174 A HN 0.778 nan 8.150 nan 0.000 0.444 175 A N -1.737 121.117 122.820 0.058 0.000 1.930 175 A HA -0.066 4.255 4.320 0.001 0.000 0.217 175 A C 2.111 179.724 177.584 0.048 0.000 1.175 175 A CA 1.523 53.580 52.037 0.033 0.000 0.627 175 A CB -0.764 18.225 19.000 -0.018 0.000 0.815 175 A HN 0.666 nan 8.150 nan 0.000 0.443 176 Y N 0.661 120.964 120.300 0.005 0.000 2.128 176 Y HA -0.153 4.397 4.550 0.001 0.000 0.284 176 Y C 2.691 178.603 175.900 0.019 0.000 1.154 176 Y CA 1.460 59.570 58.100 0.016 0.000 1.149 176 Y CB -0.444 38.034 38.460 0.030 0.000 0.976 176 Y HN 0.317 nan 8.280 nan 0.000 0.505 177 A N 0.263 123.167 122.820 0.139 0.000 1.908 177 A HA -0.164 4.157 4.320 0.001 0.000 0.218 177 A C 2.406 179.980 177.584 -0.016 0.000 1.181 177 A CA 1.950 54.029 52.037 0.071 0.000 0.627 177 A CB -1.503 17.563 19.000 0.110 0.000 0.818 177 A HN 0.596 nan 8.150 nan 0.000 0.445 178 A N -0.074 122.740 122.820 -0.011 0.000 1.902 178 A HA -0.184 4.137 4.320 0.001 0.000 0.217 178 A C 2.107 179.646 177.584 -0.075 0.000 1.181 178 A CA 2.113 54.133 52.037 -0.029 0.000 0.623 178 A CB -0.496 18.496 19.000 -0.013 0.000 0.818 178 A HN 0.605 nan 8.150 nan 0.000 0.443 179 K N -0.379 119.943 120.400 -0.130 0.000 2.020 179 K HA -0.198 4.123 4.320 0.001 0.000 0.212 179 K C 2.268 178.761 176.600 -0.178 0.000 1.050 179 K CA 1.703 57.886 56.287 -0.174 0.000 0.929 179 K CB -0.229 32.105 32.500 -0.276 0.000 0.714 179 K HN 0.413 nan 8.250 nan 0.000 0.443 180 R N -0.272 120.092 120.500 -0.227 0.000 2.096 180 R HA -0.074 4.267 4.340 0.001 0.000 0.235 180 R C 2.262 178.516 176.300 -0.077 0.000 1.127 180 R CA 1.177 57.183 56.100 -0.158 0.000 0.968 180 R CB -0.307 29.912 30.300 -0.135 0.000 0.861 180 R HN 0.299 nan 8.270 nan 0.000 0.440 181 A N 0.970 123.755 122.820 -0.057 0.000 2.209 181 A HA -0.085 4.236 4.320 0.001 0.000 0.212 181 A C 0.151 177.717 177.584 -0.031 0.000 1.158 181 A CA 0.337 52.356 52.037 -0.029 0.000 0.742 181 A CB -0.323 18.669 19.000 -0.013 0.000 0.790 181 A HN 0.489 nan 8.150 nan 0.000 0.472 182 N N -2.644 116.028 118.700 -0.046 0.000 2.648 182 N HA -0.186 4.555 4.740 0.001 0.000 0.265 182 N C 0.526 176.017 175.510 -0.032 0.000 1.100 182 N CA 0.661 53.686 53.050 -0.040 0.000 0.715 182 N CB -0.935 37.533 38.487 -0.032 0.000 0.881 182 N HN 0.555 nan 8.380 nan 0.000 0.548 183 A N 1.450 124.249 122.820 -0.036 0.000 1.956 183 A HA 0.180 4.501 4.320 0.001 0.000 0.212 183 A C 1.252 178.817 177.584 -0.032 0.000 1.188 183 A CA 1.079 53.097 52.037 -0.031 0.000 0.675 183 A CB 0.107 19.087 19.000 -0.032 0.000 0.845 183 A HN 0.768 nan 8.150 nan 0.000 0.455 184 N N -1.023 117.656 118.700 -0.034 0.000 2.758 184 N HA -0.193 4.548 4.740 0.001 0.000 0.248 184 N C -0.164 175.322 175.510 -0.041 0.000 1.076 184 N CA 1.237 54.266 53.050 -0.035 0.000 0.696 184 N CB -1.519 36.951 38.487 -0.029 0.000 0.979 184 N HN 0.755 nan 8.380 nan 0.000 0.550 185 R N -0.254 120.220 120.500 -0.043 0.000 2.750 185 R HA 0.713 5.054 4.340 0.001 0.000 0.281 185 R C -0.578 175.696 176.300 -0.042 0.000 0.972 185 R CA -0.377 55.695 56.100 -0.047 0.000 0.912 185 R CB 1.682 31.953 30.300 -0.050 0.000 1.187 185 R HN 0.138 nan 8.270 nan 0.000 0.464 186 V N 0.917 120.805 119.914 -0.043 0.000 2.960 186 V HA 0.704 4.824 4.120 0.001 0.000 0.315 186 V C -1.044 175.036 176.094 -0.023 0.000 1.087 186 V CA -0.693 61.582 62.300 -0.043 0.000 0.982 186 V CB 2.118 33.903 31.823 -0.062 0.000 1.039 186 V HN 0.490 nan 8.190 nan 0.000 0.437 187 V N 4.590 124.490 119.914 -0.023 0.000 2.472 187 V HA 0.559 4.679 4.120 0.001 0.000 0.290 187 V C -0.033 176.037 176.094 -0.040 0.000 1.037 187 V CA -0.402 61.911 62.300 0.021 0.000 0.908 187 V CB 1.515 33.366 31.823 0.047 0.000 0.985 187 V HN 0.922 nan 8.190 nan 0.000 0.454 188 I N 3.917 124.486 120.570 -0.002 0.000 2.530 188 I HA 0.649 4.820 4.170 0.001 0.000 0.297 188 I C -0.948 175.157 176.117 -0.020 0.000 1.011 188 I CA -0.291 60.949 61.300 -0.101 0.000 1.107 188 I CB 1.526 39.415 38.000 -0.185 0.000 1.285 188 I HN 0.767 nan 8.210 nan 0.000 0.436 189 C N 7.475 126.743 119.300 -0.054 0.000 2.383 189 C HA 0.550 5.011 4.460 0.001 0.000 0.330 189 C C -1.033 174.120 174.990 0.271 0.000 1.168 189 C CA -0.418 58.715 59.018 0.192 0.000 1.374 189 C CB -0.146 27.741 27.740 0.245 0.000 2.014 189 C HN 0.720 nan 8.230 nan 0.000 0.439 190 Y N 5.635 126.139 120.300 0.339 0.000 2.334 190 Y HA 0.756 5.307 4.550 0.001 0.000 0.328 190 Y C 0.291 176.417 175.900 0.377 0.000 1.130 190 Y CA -0.161 58.101 58.100 0.270 0.000 1.163 190 Y CB 0.955 39.534 38.460 0.197 0.000 1.207 190 Y HN 0.717 nan 8.280 nan 0.000 0.471 191 F N -1.308 118.877 119.950 0.390 0.000 2.744 191 F HA 0.776 5.304 4.527 0.001 0.000 0.311 191 F C -0.343 175.605 175.800 0.246 0.000 1.144 191 F CA -1.767 56.382 58.000 0.248 0.000 0.938 191 F CB 0.470 39.572 39.000 0.169 0.000 1.292 191 F HN 0.606 nan 8.300 nan 0.000 0.444 192 G N 0.203 109.183 108.800 0.300 0.000 2.547 192 G HA2 0.415 4.376 3.960 0.001 0.000 0.291 192 G HA3 0.415 4.376 3.960 0.001 0.000 0.291 192 G C 0.393 175.462 174.900 0.282 0.000 1.211 192 G CA -0.014 45.219 45.100 0.223 0.000 0.950 192 G HN 0.961 nan 8.290 nan 0.000 0.504 193 E N -0.024 120.311 120.200 0.224 0.000 2.150 193 E HA -0.055 4.295 4.350 0.001 0.000 0.193 193 E C 2.118 178.872 176.600 0.257 0.000 0.985 193 E CA 1.493 58.048 56.400 0.258 0.000 0.814 193 E CB -0.990 28.875 29.700 0.275 0.000 0.752 193 E HN 0.478 nan 8.360 nan 0.000 0.466 194 G N 1.535 110.459 108.800 0.206 0.000 2.433 194 G HA2 -0.214 3.747 3.960 0.001 0.000 0.216 194 G HA3 -0.214 3.747 3.960 0.001 0.000 0.216 194 G C 1.869 176.851 174.900 0.136 0.000 1.186 194 G CA 1.846 47.040 45.100 0.157 0.000 0.779 194 G HN 0.510 nan 8.290 nan 0.000 0.543 195 A N 1.143 124.056 122.820 0.156 0.000 1.986 195 A HA 0.182 4.502 4.320 0.001 0.000 0.220 195 A C 2.731 180.335 177.584 0.033 0.000 1.171 195 A CA 2.240 54.339 52.037 0.102 0.000 0.640 195 A CB -0.696 18.398 19.000 0.157 0.000 0.811 195 A HN 0.921 nan 8.150 nan 0.000 0.451 196 A N -0.766 122.128 122.820 0.123 0.000 2.125 196 A HA -0.013 4.308 4.320 0.001 0.000 0.219 196 A C 2.250 179.796 177.584 -0.063 0.000 1.156 196 A CA 1.707 53.742 52.037 -0.004 0.000 0.671 196 A CB -0.620 18.507 19.000 0.210 0.000 0.794 196 A HN 0.431 nan 8.150 nan 0.000 0.459 197 S N 0.093 115.799 115.700 0.010 0.000 2.481 197 S HA -0.016 4.455 4.470 0.001 0.000 0.231 197 S C 0.703 175.266 174.600 -0.062 0.000 0.996 197 S CA 0.192 58.389 58.200 -0.004 0.000 0.942 197 S CB -0.119 63.105 63.200 0.040 0.000 0.768 197 S HN 0.590 nan 8.310 nan 0.000 0.520 198 E N 0.586 120.730 120.200 -0.093 0.000 2.398 198 E HA 0.107 4.458 4.350 0.001 0.000 0.263 198 E C 1.415 177.924 176.600 -0.151 0.000 1.046 198 E CA 0.100 56.433 56.400 -0.111 0.000 0.908 198 E CB 0.546 30.175 29.700 -0.117 0.000 0.963 198 E HN 0.293 nan 8.360 nan 0.000 0.431 199 G N 2.742 111.468 108.800 -0.123 0.000 2.450 199 G HA2 -0.273 3.687 3.960 0.001 0.000 0.220 199 G HA3 -0.273 3.687 3.960 0.001 0.000 0.220 199 G C 0.936 175.750 174.900 -0.144 0.000 1.130 199 G CA 0.491 45.521 45.100 -0.117 0.000 0.760 199 G HN 0.405 nan 8.290 nan 0.000 0.557 200 D N 0.723 121.010 120.400 -0.188 0.000 2.263 200 D HA 0.018 4.659 4.640 0.001 0.000 0.208 200 D C 2.701 178.774 176.300 -0.379 0.000 0.971 200 D CA 0.966 54.816 54.000 -0.250 0.000 0.867 200 D CB -0.219 40.447 40.800 -0.222 0.000 0.929 200 D HN 0.330 nan 8.370 nan 0.000 0.492 201 A N 0.022 122.562 122.820 -0.467 0.000 1.898 201 A HA -0.210 4.111 4.320 0.001 0.000 0.216 201 A C 2.032 179.043 177.584 -0.955 0.000 1.181 201 A CA 1.717 53.239 52.037 -0.858 0.000 0.620 201 A CB -0.801 17.651 19.000 -0.915 0.000 0.819 201 A HN 0.307 nan 8.150 nan 0.000 0.442 202 H N 0.116 118.816 119.070 -0.616 0.000 2.353 202 H HA 0.022 4.578 4.556 0.001 0.000 0.300 202 H C 2.147 177.307 175.328 -0.280 0.000 1.090 202 H CA 1.828 57.652 56.048 -0.373 0.000 1.327 202 H CB -0.244 29.448 29.762 -0.116 0.000 1.383 202 H HN 0.391 nan 8.280 nan 0.000 0.508 203 A N 0.047 122.740 122.820 -0.212 0.000 1.851 203 A HA -0.111 4.210 4.320 0.001 0.000 0.216 203 A C 2.741 180.125 177.584 -0.333 0.000 1.195 203 A CA 1.748 53.621 52.037 -0.273 0.000 0.622 203 A CB -1.521 17.257 19.000 -0.370 0.000 0.831 203 A HN 0.611 nan 8.150 nan 0.000 0.444 204 G N -1.112 107.459 108.800 -0.382 0.000 2.446 204 G HA2 -0.163 3.798 3.960 0.001 0.000 0.217 204 G HA3 -0.163 3.798 3.960 0.001 0.000 0.217 204 G C 1.355 176.245 174.900 -0.018 0.000 1.168 204 G CA 1.160 46.140 45.100 -0.200 0.000 0.771 204 G HN 0.344 nan 8.290 nan 0.000 0.551 205 F N 1.476 121.041 119.950 -0.642 0.000 2.095 205 F HA -0.081 4.446 4.527 0.001 0.000 0.298 205 F C 2.496 178.009 175.800 -0.479 0.000 1.104 205 F CA 1.072 58.564 58.000 -0.846 0.000 1.232 205 F CB -1.188 36.925 39.000 -1.479 0.000 0.987 205 F HN 0.172 nan 8.300 nan 0.000 0.475 206 N N -0.048 118.516 118.700 -0.228 0.000 2.142 206 N HA -0.177 4.563 4.740 0.001 0.000 0.186 206 N C 1.785 177.383 175.510 0.148 0.000 1.023 206 N CA 1.103 54.167 53.050 0.022 0.000 0.852 206 N CB -0.525 37.971 38.487 0.015 0.000 0.998 206 N HN 0.014 nan 8.380 nan 0.000 0.424 207 F N 0.999 120.910 119.950 -0.066 0.000 2.161 207 F HA 0.009 4.537 4.527 0.001 0.000 0.300 207 F C 2.388 178.201 175.800 0.022 0.000 1.089 207 F CA 1.000 58.981 58.000 -0.030 0.000 1.282 207 F CB -1.066 37.907 39.000 -0.046 0.000 1.010 207 F HN 0.096 nan 8.300 nan 0.000 0.485 208 A N -0.344 122.640 122.820 0.272 0.000 1.933 208 A HA -0.013 4.307 4.320 0.001 0.000 0.218 208 A C 2.413 180.076 177.584 0.132 0.000 1.175 208 A CA 1.745 53.914 52.037 0.219 0.000 0.628 208 A CB -1.153 18.055 19.000 0.345 0.000 0.814 208 A HN 0.302 nan 8.150 nan 0.000 0.444 209 A N -0.395 122.489 122.820 0.108 0.000 1.874 209 A HA -0.022 4.299 4.320 0.001 0.000 0.214 209 A C 2.454 180.057 177.584 0.031 0.000 1.189 209 A CA 2.276 54.346 52.037 0.054 0.000 0.615 209 A CB -1.298 17.738 19.000 0.060 0.000 0.830 209 A HN 0.738 nan 8.150 nan 0.000 0.443 210 T N -1.851 112.710 114.554 0.011 0.000 2.951 210 T HA 0.048 4.399 4.350 0.001 0.000 0.268 210 T C 1.457 176.145 174.700 -0.020 0.000 1.073 210 T CA 1.402 63.483 62.100 -0.032 0.000 1.134 210 T CB -0.337 68.468 68.868 -0.106 0.000 0.884 210 T HN 0.240 nan 8.240 nan 0.000 0.479 211 L N 0.358 121.589 121.223 0.013 0.000 2.607 211 L HA 0.342 4.683 4.340 0.001 0.000 0.228 211 L C 0.131 177.103 176.870 0.170 0.000 1.123 211 L CA -0.104 54.786 54.840 0.084 0.000 0.890 211 L CB -0.512 41.575 42.059 0.046 0.000 1.103 211 L HN 0.295 nan 8.230 nan 0.000 0.468 212 E N 0.136 120.394 120.200 0.097 0.000 2.302 212 E HA -0.203 4.148 4.350 0.001 0.000 0.186 212 E C -0.632 176.009 176.600 0.068 0.000 1.444 212 E CA -0.098 56.340 56.400 0.064 0.000 0.671 212 E CB -1.431 28.294 29.700 0.042 0.000 1.122 212 E HN 0.372 nan 8.360 nan 0.000 0.366 213 C N 1.775 121.119 119.300 0.074 0.000 2.358 213 C HA 0.443 4.903 4.460 0.001 0.000 0.342 213 C C -1.730 173.261 174.990 0.002 0.000 1.234 213 C CA -1.459 57.590 59.018 0.052 0.000 1.969 213 C CB 0.829 28.623 27.740 0.090 0.000 2.346 213 C HN 0.321 nan 8.230 nan 0.000 0.525 214 P HA 0.348 nan 4.420 nan 0.000 0.247 214 P C -0.689 176.572 177.300 -0.064 0.000 1.756 214 P CA 0.522 63.609 63.100 -0.021 0.000 1.117 214 P CB 0.110 31.794 31.700 -0.028 0.000 1.869 215 I N 2.750 123.251 120.570 -0.116 0.000 2.647 215 I HA 0.440 4.611 4.170 0.001 0.000 0.295 215 I C -1.048 174.893 176.117 -0.292 0.000 1.078 215 I CA -1.772 59.373 61.300 -0.258 0.000 1.048 215 I CB 2.334 40.067 38.000 -0.445 0.000 1.239 215 I HN -0.040 nan 8.210 nan 0.000 0.421 216 I N 7.120 127.528 120.570 -0.269 0.000 2.330 216 I HA 0.281 4.451 4.170 0.001 0.000 0.289 216 I C -1.062 174.918 176.117 -0.228 0.000 1.001 216 I CA -0.462 60.736 61.300 -0.170 0.000 1.193 216 I CB 0.963 38.912 38.000 -0.084 0.000 1.345 216 I HN 0.347 nan 8.210 nan 0.000 0.461 217 F N 6.520 126.495 119.950 0.041 0.000 2.424 217 F HA 0.280 4.807 4.527 0.001 0.000 0.356 217 F C -0.123 175.689 175.800 0.019 0.000 1.110 217 F CA -0.381 57.704 58.000 0.143 0.000 1.161 217 F CB 0.498 39.569 39.000 0.118 0.000 1.115 217 F HN 0.268 nan 8.300 nan 0.000 0.507 218 F N 4.748 124.659 119.950 -0.065 0.000 2.366 218 F HA 0.417 4.945 4.527 0.001 0.000 0.366 218 F C -0.527 174.959 175.800 -0.523 0.000 1.096 218 F CA -1.236 56.592 58.000 -0.286 0.000 1.060 218 F CB 0.536 39.248 39.000 -0.479 0.000 1.282 218 F HN 0.489 nan 8.300 nan 0.000 0.450 219 C N 7.395 126.341 119.300 -0.590 0.000 2.307 219 C HA 0.623 5.083 4.460 0.001 0.000 0.340 219 C C 0.011 174.844 174.990 -0.261 0.000 1.275 219 C CA -0.696 57.914 59.018 -0.680 0.000 1.811 219 C CB -0.260 27.227 27.740 -0.423 0.000 2.372 219 C HN 0.868 nan 8.230 nan 0.000 0.531 220 R N 4.525 124.996 120.500 -0.048 0.000 2.202 220 R HA 0.304 4.644 4.340 0.001 0.000 0.334 220 R C -0.341 176.003 176.300 0.074 0.000 1.036 220 R CA -0.102 56.054 56.100 0.093 0.000 0.878 220 R CB 0.330 30.763 30.300 0.221 0.000 1.067 220 R HN 0.645 nan 8.270 nan 0.000 0.457 221 N N 2.972 121.703 118.700 0.052 0.000 2.558 221 N HA 0.035 4.776 4.740 0.001 0.000 0.242 221 N C -0.593 174.975 175.510 0.097 0.000 0.979 221 N CA -0.510 52.593 53.050 0.089 0.000 0.931 221 N CB 0.835 39.365 38.487 0.070 0.000 1.122 221 N HN 0.589 nan 8.380 nan 0.000 0.508 222 N N 2.598 121.384 118.700 0.142 0.000 2.238 222 N HA 0.169 4.910 4.740 0.001 0.000 0.222 222 N C 1.001 176.651 175.510 0.234 0.000 1.133 222 N CA 0.241 53.396 53.050 0.175 0.000 0.854 222 N CB 0.089 38.695 38.487 0.198 0.000 1.041 222 N HN 0.579 nan 8.380 nan 0.000 0.510 223 G N -1.009 107.879 108.800 0.146 0.000 2.205 223 G HA2 -0.288 3.672 3.960 0.001 0.000 0.261 223 G HA3 -0.288 3.672 3.960 0.001 0.000 0.261 223 G C -0.575 174.151 174.900 -0.290 0.000 0.980 223 G CA 0.614 45.708 45.100 -0.011 0.000 0.632 223 G HN 0.441 nan 8.290 nan 0.000 0.533 224 Y N -0.465 119.887 120.300 0.086 0.000 2.544 224 Y HA 0.641 5.192 4.550 0.001 0.000 0.342 224 Y C 0.031 175.982 175.900 0.085 0.000 1.062 224 Y CA -0.412 57.729 58.100 0.070 0.000 1.023 224 Y CB 2.279 40.782 38.460 0.071 0.000 1.308 224 Y HN 0.644 nan 8.280 nan 0.000 0.457 225 A N 4.123 127.078 122.820 0.224 0.000 2.409 225 A HA 0.748 5.069 4.320 0.001 0.000 0.300 225 A C 0.278 177.969 177.584 0.178 0.000 1.273 225 A CA -0.398 51.748 52.037 0.181 0.000 0.774 225 A CB -0.346 18.732 19.000 0.131 0.000 1.144 225 A HN 0.873 nan 8.150 nan 0.000 0.472 226 I N 0.625 121.300 120.570 0.175 0.000 4.904 226 I HA -0.464 3.707 4.170 0.001 0.000 0.038 226 I C 2.112 178.322 176.117 0.154 0.000 0.635 226 I CA 2.173 63.558 61.300 0.141 0.000 0.226 226 I CB -1.183 36.889 38.000 0.120 0.000 0.330 226 I HN 0.822 nan 8.210 nan 0.000 0.150 227 S N -0.361 115.424 115.700 0.142 0.000 2.556 227 S HA 0.146 4.617 4.470 0.001 0.000 0.216 227 S C 0.495 175.230 174.600 0.225 0.000 0.970 227 S CA 0.308 58.602 58.200 0.156 0.000 0.912 227 S CB 0.016 63.274 63.200 0.096 0.000 0.790 227 S HN 0.533 nan 8.310 nan 0.000 0.504 228 T N 6.089 120.758 114.554 0.192 0.000 2.723 228 T HA 0.405 4.756 4.350 0.001 0.000 0.297 228 T C -2.569 172.135 174.700 0.007 0.000 0.925 228 T CA -1.260 60.898 62.100 0.096 0.000 1.030 228 T CB 1.246 70.144 68.868 0.049 0.000 0.905 228 T HN 0.317 nan 8.240 nan 0.000 0.502 229 P HA 0.136 nan 4.420 nan 0.000 0.274 229 P C 1.144 178.212 177.300 -0.387 0.000 1.246 229 P CA -0.394 62.400 63.100 -0.509 0.000 0.795 229 P CB 0.545 32.025 31.700 -0.366 0.000 1.006 230 T N -2.906 111.366 114.554 -0.470 0.000 2.977 230 T HA -0.135 4.216 4.350 0.001 0.000 0.271 230 T C 1.718 176.043 174.700 -0.625 0.000 1.105 230 T CA 1.481 63.231 62.100 -0.584 0.000 1.116 230 T CB -1.268 67.249 68.868 -0.583 0.000 0.878 230 T HN 0.505 nan 8.240 nan 0.000 0.509 231 S N 1.881 117.363 115.700 -0.364 0.000 2.442 231 S HA -0.091 4.380 4.470 0.001 0.000 0.236 231 S C 1.649 176.128 174.600 -0.201 0.000 1.007 231 S CA 0.845 58.898 58.200 -0.244 0.000 0.965 231 S CB -0.405 62.709 63.200 -0.142 0.000 0.773 231 S HN 0.727 nan 8.310 nan 0.000 0.504 232 E N -0.233 119.848 120.200 -0.198 0.000 2.481 232 E HA 0.157 4.508 4.350 0.001 0.000 0.198 232 E C 1.673 178.196 176.600 -0.128 0.000 1.027 232 E CA 0.007 56.332 56.400 -0.125 0.000 0.900 232 E CB 0.126 29.778 29.700 -0.079 0.000 0.993 232 E HN 0.428 nan 8.360 nan 0.000 0.482 233 Q N -0.019 119.643 119.800 -0.230 0.000 2.324 233 Q HA 0.039 4.380 4.340 0.001 0.000 0.207 233 Q C -0.476 175.498 176.000 -0.043 0.000 0.928 233 Q CA 0.764 56.473 55.803 -0.156 0.000 0.890 233 Q CB 0.473 29.096 28.738 -0.192 0.000 1.001 233 Q HN 0.260 nan 8.270 nan 0.000 0.517 234 Y N -4.603 115.693 120.300 -0.006 0.000 2.713 234 Y HA 0.667 5.217 4.550 0.001 0.000 0.335 234 Y C -0.214 175.682 175.900 -0.006 0.000 1.222 234 Y CA -1.191 56.908 58.100 -0.002 0.000 1.061 234 Y CB 0.521 38.989 38.460 0.012 0.000 1.314 234 Y HN -0.365 nan 8.280 nan 0.000 0.453 235 R N 0.457 121.126 120.500 0.283 0.000 2.531 235 R HA 0.349 4.689 4.340 0.001 0.000 0.316 235 R C 0.377 176.780 176.300 0.171 0.000 0.955 235 R CA 0.216 56.421 56.100 0.176 0.000 1.120 235 R CB 1.172 31.515 30.300 0.072 0.000 1.361 235 R HN 1.013 nan 8.270 nan 0.000 0.534 236 G N 0.264 109.168 108.800 0.173 0.000 2.525 236 G HA2 0.021 3.982 3.960 0.001 0.000 0.287 236 G HA3 0.021 3.982 3.960 0.001 0.000 0.287 236 G C -0.646 174.289 174.900 0.058 0.000 1.350 236 G CA -0.261 44.880 45.100 0.068 0.000 1.039 236 G HN -0.013 nan 8.290 nan 0.000 0.513 237 D N -0.106 120.288 120.400 -0.010 0.000 2.551 237 D HA 0.425 5.066 4.640 0.001 0.000 0.223 237 D C 1.307 177.533 176.300 -0.124 0.000 1.144 237 D CA 1.150 55.139 54.000 -0.018 0.000 1.025 237 D CB -0.722 40.071 40.800 -0.011 0.000 1.085 237 D HN 0.848 nan 8.370 nan 0.000 0.506 238 G N 2.412 111.047 108.800 -0.275 0.000 2.598 238 G HA2 -0.311 3.650 3.960 0.001 0.000 0.269 238 G HA3 -0.311 3.650 3.960 0.001 0.000 0.269 238 G C 0.781 175.357 174.900 -0.540 0.000 1.289 238 G CA 0.041 44.792 45.100 -0.581 0.000 0.926 238 G HN 0.367 nan 8.290 nan 0.000 0.567 239 I N 1.034 121.412 120.570 -0.321 0.000 2.867 239 I HA 0.161 4.332 4.170 0.001 0.000 0.265 239 I C 3.245 179.332 176.117 -0.049 0.000 1.162 239 I CA 1.691 62.916 61.300 -0.123 0.000 1.471 239 I CB -1.694 36.321 38.000 0.026 0.000 1.123 239 I HN 0.788 nan 8.210 nan 0.000 0.440 240 A N 1.164 123.936 122.820 -0.080 0.000 1.940 240 A HA -0.166 4.155 4.320 0.001 0.000 0.219 240 A C 2.466 180.019 177.584 -0.053 0.000 1.176 240 A CA 2.020 54.015 52.037 -0.069 0.000 0.631 240 A CB -0.782 18.175 19.000 -0.072 0.000 0.814 240 A HN 0.375 nan 8.150 nan 0.000 0.446 241 A N -0.466 122.319 122.820 -0.058 0.000 2.121 241 A HA -0.099 4.222 4.320 0.001 0.000 0.218 241 A C 2.125 179.696 177.584 -0.022 0.000 1.154 241 A CA 1.241 53.252 52.037 -0.043 0.000 0.679 241 A CB -0.408 18.563 19.000 -0.049 0.000 0.795 241 A HN 0.594 nan 8.150 nan 0.000 0.458 242 R N -0.730 119.778 120.500 0.014 0.000 2.148 242 R HA -0.032 4.309 4.340 0.001 0.000 0.223 242 R C 2.321 178.710 176.300 0.149 0.000 1.088 242 R CA 0.789 56.946 56.100 0.095 0.000 0.985 242 R CB -0.446 30.000 30.300 0.244 0.000 0.880 242 R HN 0.498 nan 8.270 nan 0.000 0.451 243 G N 2.291 111.132 108.800 0.068 0.000 2.459 243 G HA2 -0.185 3.775 3.960 0.001 0.000 0.217 243 G HA3 -0.185 3.775 3.960 0.001 0.000 0.217 243 G C -0.918 174.003 174.900 0.036 0.000 1.183 243 G CA 0.494 45.607 45.100 0.023 0.000 0.776 243 G HN 0.241 nan 8.290 nan 0.000 0.552 244 P HA -0.053 nan 4.420 nan 0.000 0.216 244 P C 2.064 179.338 177.300 -0.044 0.000 1.150 244 P CA 1.678 64.756 63.100 -0.037 0.000 0.837 244 P CB -0.399 31.274 31.700 -0.045 0.000 0.786 245 G N -1.912 106.841 108.800 -0.078 0.000 2.470 245 G HA2 -0.241 3.720 3.960 0.001 0.000 0.220 245 G HA3 -0.241 3.720 3.960 0.001 0.000 0.220 245 G C 0.777 175.540 174.900 -0.228 0.000 1.121 245 G CA 0.525 45.522 45.100 -0.173 0.000 0.766 245 G HN 0.284 nan 8.290 nan 0.000 0.553 246 Y N -0.185 120.101 120.300 -0.024 0.000 2.457 246 Y HA 0.346 4.897 4.550 0.001 0.000 0.263 246 Y C 2.039 177.909 175.900 -0.051 0.000 1.164 246 Y CA -0.186 57.897 58.100 -0.028 0.000 1.274 246 Y CB 0.399 38.852 38.460 -0.013 0.000 1.097 246 Y HN 0.243 nan 8.280 nan 0.000 0.523 247 G N 0.987 109.817 108.800 0.050 0.000 2.137 247 G HA2 -0.287 3.674 3.960 0.001 0.000 0.237 247 G HA3 -0.287 3.674 3.960 0.001 0.000 0.237 247 G C -0.061 174.808 174.900 -0.052 0.000 1.002 247 G CA -0.014 45.079 45.100 -0.011 0.000 0.702 247 G HN 0.307 nan 8.290 nan 0.000 0.515 248 I N 1.635 122.174 120.570 -0.052 0.000 2.331 248 I HA 0.329 4.499 4.170 0.001 0.000 0.292 248 I C 0.985 176.974 176.117 -0.214 0.000 0.998 248 I CA -1.004 60.206 61.300 -0.151 0.000 1.267 248 I CB 1.105 39.022 38.000 -0.139 0.000 1.386 248 I HN -0.021 nan 8.210 nan 0.000 0.476 249 M N 4.965 124.335 119.600 -0.385 0.000 2.269 249 M HA 0.152 4.633 4.480 0.001 0.000 0.350 249 M C -0.099 176.072 176.300 -0.215 0.000 1.429 249 M CA 0.730 55.816 55.300 -0.357 0.000 1.063 249 M CB 0.013 32.210 32.600 -0.673 0.000 1.841 249 M HN 0.494 nan 8.290 nan 0.000 0.455 250 S N 3.858 119.498 115.700 -0.100 0.000 2.570 250 S HA 0.844 5.315 4.470 0.001 0.000 0.286 250 S C -0.722 173.855 174.600 -0.039 0.000 1.099 250 S CA -0.791 57.371 58.200 -0.064 0.000 0.913 250 S CB 2.822 65.973 63.200 -0.081 0.000 1.085 250 S HN 0.733 nan 8.310 nan 0.000 0.480 251 I N 1.057 121.598 120.570 -0.047 0.000 2.913 251 I HA 0.533 4.703 4.170 0.001 0.000 0.302 251 I C -1.262 174.812 176.117 -0.071 0.000 1.246 251 I CA -0.751 60.517 61.300 -0.054 0.000 1.010 251 I CB 1.995 39.961 38.000 -0.058 0.000 1.259 251 I HN 0.577 nan 8.210 nan 0.000 0.434 252 R N 5.570 126.043 120.500 -0.044 0.000 2.514 252 R HA 0.790 5.131 4.340 0.001 0.000 0.301 252 R C -1.588 174.721 176.300 0.014 0.000 0.962 252 R CA -0.533 55.542 56.100 -0.043 0.000 0.882 252 R CB 1.816 32.098 30.300 -0.030 0.000 1.143 252 R HN 0.489 nan 8.270 nan 0.000 0.452 253 V N -0.051 119.855 119.914 -0.014 0.000 3.040 253 V HA 0.435 4.556 4.120 0.001 0.000 0.312 253 V C -0.905 175.177 176.094 -0.020 0.000 1.115 253 V CA -1.102 61.223 62.300 0.041 0.000 0.998 253 V CB 1.969 33.838 31.823 0.077 0.000 1.042 253 V HN 0.751 nan 8.190 nan 0.000 0.433 254 D N 2.272 122.652 120.400 -0.033 0.000 2.352 254 D HA 0.345 4.986 4.640 0.001 0.000 0.245 254 D C 1.254 177.514 176.300 -0.066 0.000 1.224 254 D CA 0.746 54.705 54.000 -0.069 0.000 0.879 254 D CB 1.251 42.001 40.800 -0.082 0.000 1.057 254 D HN 0.926 nan 8.370 nan 0.000 0.491 255 G N 3.708 112.462 108.800 -0.076 0.000 2.679 255 G HA2 -0.205 3.756 3.960 0.001 0.000 0.212 255 G HA3 -0.205 3.756 3.960 0.001 0.000 0.212 255 G C 1.184 176.042 174.900 -0.071 0.000 1.137 255 G CA -0.082 44.994 45.100 -0.041 0.000 0.787 255 G HN 0.459 nan 8.290 nan 0.000 0.534 256 N N 0.590 119.225 118.700 -0.109 0.000 2.398 256 N HA 0.016 4.757 4.740 0.001 0.000 0.188 256 N C -0.466 174.989 175.510 -0.091 0.000 1.122 256 N CA 0.265 53.255 53.050 -0.101 0.000 0.866 256 N CB 0.571 39.015 38.487 -0.070 0.000 0.970 256 N HN 0.186 nan 8.380 nan 0.000 0.462 257 D N 0.757 121.101 120.400 -0.094 0.000 2.461 257 D HA 0.067 4.708 4.640 0.001 0.000 0.240 257 D C 0.919 177.146 176.300 -0.121 0.000 1.094 257 D CA -0.403 53.525 54.000 -0.120 0.000 0.868 257 D CB 1.511 42.246 40.800 -0.108 0.000 1.062 257 D HN -0.269 nan 8.370 nan 0.000 0.530 258 V N 4.765 124.546 119.914 -0.221 0.000 2.490 258 V HA -0.199 3.921 4.120 0.001 0.000 0.250 258 V C 1.449 177.501 176.094 -0.070 0.000 1.061 258 V CA 1.608 63.789 62.300 -0.197 0.000 1.064 258 V CB -0.527 31.101 31.823 -0.324 0.000 0.670 258 V HN 0.436 nan 8.190 nan 0.000 0.461 259 F N 0.702 120.608 119.950 -0.073 0.000 2.234 259 F HA 0.150 4.678 4.527 0.001 0.000 0.296 259 F C 2.445 178.248 175.800 0.005 0.000 1.089 259 F CA 0.785 58.747 58.000 -0.063 0.000 1.343 259 F CB -1.523 37.363 39.000 -0.190 0.000 1.040 259 F HN 0.217 nan 8.300 nan 0.000 0.498 260 A N 0.027 122.895 122.820 0.079 0.000 1.902 260 A HA -0.111 4.210 4.320 0.001 0.000 0.217 260 A C 2.434 180.124 177.584 0.177 0.000 1.181 260 A CA 1.917 53.932 52.037 -0.037 0.000 0.623 260 A CB -1.199 17.651 19.000 -0.249 0.000 0.818 260 A HN 0.157 nan 8.150 nan 0.000 0.443 261 V N -1.373 118.631 119.914 0.150 0.000 2.295 261 V HA -0.288 3.833 4.120 0.001 0.000 0.246 261 V C 2.348 178.571 176.094 0.215 0.000 1.049 261 V CA 2.151 64.570 62.300 0.199 0.000 1.024 261 V CB -1.034 30.900 31.823 0.185 0.000 0.648 261 V HN 0.726 nan 8.190 nan 0.000 0.447 262 Y N 1.777 122.142 120.300 0.109 0.000 2.097 262 Y HA -0.273 4.277 4.550 0.001 0.000 0.282 262 Y C 2.539 178.495 175.900 0.092 0.000 1.152 262 Y CA 2.249 60.403 58.100 0.089 0.000 1.136 262 Y CB -0.338 38.193 38.460 0.118 0.000 0.975 262 Y HN 0.282 nan 8.280 nan 0.000 0.498 263 N N 0.494 119.338 118.700 0.240 0.000 2.120 263 N HA -0.181 4.559 4.740 0.001 0.000 0.188 263 N C 1.963 177.483 175.510 0.018 0.000 1.024 263 N CA 1.612 54.750 53.050 0.147 0.000 0.852 263 N CB -0.861 37.825 38.487 0.331 0.000 1.003 263 N HN 0.551 nan 8.380 nan 0.000 0.424 264 A N 0.053 122.929 122.820 0.093 0.000 1.898 264 A HA -0.096 4.224 4.320 0.001 0.000 0.216 264 A C 2.336 179.872 177.584 -0.080 0.000 1.181 264 A CA 1.920 53.954 52.037 -0.005 0.000 0.620 264 A CB -0.994 18.039 19.000 0.056 0.000 0.819 264 A HN 0.312 nan 8.150 nan 0.000 0.442 265 T N -0.419 114.098 114.554 -0.061 0.000 2.777 265 T HA -0.105 4.245 4.350 0.001 0.000 0.266 265 T C 2.043 176.609 174.700 -0.222 0.000 1.040 265 T CA 1.770 63.814 62.100 -0.093 0.000 1.141 265 T CB -0.140 68.705 68.868 -0.039 0.000 0.868 265 T HN 0.500 nan 8.240 nan 0.000 0.444 266 K N 1.324 121.524 120.400 -0.334 0.000 2.057 266 K HA -0.086 4.235 4.320 0.001 0.000 0.206 266 K C 2.236 178.678 176.600 -0.263 0.000 1.050 266 K CA 1.391 57.463 56.287 -0.358 0.000 0.935 266 K CB -0.212 31.984 32.500 -0.506 0.000 0.715 266 K HN 0.182 nan 8.250 nan 0.000 0.439 267 E N 0.007 120.061 120.200 -0.243 0.000 2.072 267 E HA -0.036 4.315 4.350 0.001 0.000 0.191 267 E C 1.701 178.051 176.600 -0.416 0.000 0.985 267 E CA 1.470 57.718 56.400 -0.255 0.000 0.801 267 E CB -0.442 29.136 29.700 -0.204 0.000 0.750 267 E HN 0.322 nan 8.360 nan 0.000 0.452 268 A N 1.251 123.792 122.820 -0.465 0.000 1.917 268 A HA -0.247 4.074 4.320 0.001 0.000 0.219 268 A C 2.317 179.524 177.584 -0.628 0.000 1.182 268 A CA 1.895 53.467 52.037 -0.776 0.000 0.633 268 A CB -0.681 18.088 19.000 -0.385 0.000 0.819 268 A HN 0.255 nan 8.150 nan 0.000 0.448 269 R N -0.535 119.753 120.500 -0.353 0.000 2.073 269 R HA -0.142 4.199 4.340 0.001 0.000 0.234 269 R C 2.482 178.643 176.300 -0.230 0.000 1.134 269 R CA 1.612 57.567 56.100 -0.243 0.000 0.952 269 R CB -0.353 29.842 30.300 -0.174 0.000 0.850 269 R HN 0.589 nan 8.270 nan 0.000 0.433 270 R N 0.402 120.760 120.500 -0.237 0.000 2.083 270 R HA -0.140 4.200 4.340 0.001 0.000 0.237 270 R C 2.318 178.512 176.300 -0.177 0.000 1.137 270 R CA 1.816 57.811 56.100 -0.175 0.000 0.951 270 R CB -0.095 30.112 30.300 -0.155 0.000 0.851 270 R HN 0.231 nan 8.270 nan 0.000 0.434 271 R N -0.355 119.971 120.500 -0.289 0.000 2.090 271 R HA 0.002 4.343 4.340 0.001 0.000 0.228 271 R C 2.372 178.639 176.300 -0.055 0.000 1.110 271 R CA 1.055 57.038 56.100 -0.196 0.000 0.973 271 R CB -0.263 29.863 30.300 -0.290 0.000 0.869 271 R HN 0.259 nan 8.270 nan 0.000 0.440 272 A N 0.756 123.479 122.820 -0.162 0.000 1.883 272 A HA -0.147 4.173 4.320 0.001 0.000 0.217 272 A C 2.285 179.880 177.584 0.018 0.000 1.186 272 A CA 1.552 53.635 52.037 0.076 0.000 0.624 272 A CB -0.764 18.254 19.000 0.030 0.000 0.822 272 A HN 0.198 nan 8.150 nan 0.000 0.444 273 V N -0.486 119.401 119.914 -0.045 0.000 2.427 273 V HA -0.100 4.021 4.120 0.001 0.000 0.248 273 V C 2.765 178.843 176.094 -0.026 0.000 1.051 273 V CA 2.164 64.440 62.300 -0.039 0.000 1.048 273 V CB -0.546 31.244 31.823 -0.055 0.000 0.666 273 V HN 0.599 nan 8.190 nan 0.000 0.456 274 A N -0.686 122.120 122.820 -0.024 0.000 1.897 274 A HA -0.119 4.202 4.320 0.001 0.000 0.215 274 A C 1.975 179.562 177.584 0.005 0.000 1.181 274 A CA 1.612 53.641 52.037 -0.013 0.000 0.620 274 A CB -0.294 18.695 19.000 -0.018 0.000 0.821 274 A HN 0.669 nan 8.150 nan 0.000 0.443 275 E N -0.516 119.703 120.200 0.032 0.000 2.476 275 E HA 0.059 4.410 4.350 0.001 0.000 0.199 275 E C -0.544 176.078 176.600 0.036 0.000 1.021 275 E CA -0.281 56.145 56.400 0.044 0.000 0.907 275 E CB 0.172 29.923 29.700 0.085 0.000 0.974 275 E HN 0.424 nan 8.360 nan 0.000 0.489 276 N N 2.688 121.406 118.700 0.030 0.000 2.667 276 N HA -0.196 4.545 4.740 0.001 0.000 0.263 276 N C -0.989 174.539 175.510 0.030 0.000 1.038 276 N CA 1.251 54.311 53.050 0.017 0.000 0.749 276 N CB -1.116 37.364 38.487 -0.011 0.000 0.892 276 N HN 0.517 nan 8.380 nan 0.000 0.546 277 Q N -1.389 118.450 119.800 0.065 0.000 2.340 277 Q HA 0.643 4.984 4.340 0.001 0.000 0.276 277 Q C -3.243 172.781 176.000 0.040 0.000 1.048 277 Q CA -1.678 54.137 55.803 0.021 0.000 0.832 277 Q CB 3.294 32.012 28.738 -0.034 0.000 1.373 277 Q HN -0.084 nan 8.270 nan 0.000 0.409 278 P HA 0.258 nan 4.420 nan 0.000 0.274 278 P C -1.246 175.927 177.300 -0.212 0.000 1.231 278 P CA -0.063 63.009 63.100 -0.047 0.000 0.790 278 P CB 0.443 32.151 31.700 0.015 0.000 0.951 279 F N 0.900 120.804 119.950 -0.076 0.000 2.563 279 F HA 0.463 4.991 4.527 0.001 0.000 0.316 279 F C -0.053 175.732 175.800 -0.025 0.000 1.076 279 F CA -0.941 57.024 58.000 -0.058 0.000 0.921 279 F CB 1.866 40.817 39.000 -0.082 0.000 1.209 279 F HN 0.061 nan 8.300 nan 0.000 0.462 280 L N 4.551 125.818 121.223 0.072 0.000 2.325 280 L HA 0.677 5.018 4.340 0.001 0.000 0.281 280 L C -1.283 175.553 176.870 -0.056 0.000 1.004 280 L CA -0.310 54.532 54.840 0.003 0.000 0.823 280 L CB 0.960 42.932 42.059 -0.145 0.000 1.236 280 L HN 0.478 nan 8.230 nan 0.000 0.415 281 I N 4.473 124.953 120.570 -0.149 0.000 2.362 281 I HA 0.391 4.562 4.170 0.001 0.000 0.289 281 I C -0.370 175.463 176.117 -0.473 0.000 0.994 281 I CA -0.441 60.669 61.300 -0.317 0.000 1.158 281 I CB 1.795 39.520 38.000 -0.457 0.000 1.315 281 I HN 0.623 nan 8.210 nan 0.000 0.451 282 E N 6.014 126.011 120.200 -0.338 0.000 2.092 282 E HA 0.617 4.968 4.350 0.001 0.000 0.271 282 E C -1.011 175.414 176.600 -0.292 0.000 0.919 282 E CA -0.707 55.511 56.400 -0.303 0.000 0.760 282 E CB 1.370 30.974 29.700 -0.160 0.000 1.106 282 E HN 0.716 nan 8.360 nan 0.000 0.408 283 A N 6.092 128.703 122.820 -0.348 0.000 2.260 283 A HA 0.439 4.760 4.320 0.001 0.000 0.314 283 A C -0.267 177.266 177.584 -0.086 0.000 1.257 283 A CA -0.746 51.178 52.037 -0.190 0.000 0.871 283 A CB 0.497 19.427 19.000 -0.117 0.000 1.166 283 A HN 0.622 nan 8.150 nan 0.000 0.522 284 M N 3.379 122.932 119.600 -0.078 0.000 2.120 284 M HA 0.333 4.814 4.480 0.001 0.000 0.354 284 M C 0.545 176.763 176.300 -0.137 0.000 1.287 284 M CA 0.139 55.393 55.300 -0.078 0.000 1.103 284 M CB -0.073 32.480 32.600 -0.078 0.000 1.623 284 M HN 0.849 nan 8.290 nan 0.000 0.471 285 T N -0.027 114.458 114.554 -0.116 0.000 2.742 285 T HA 0.763 5.114 4.350 0.001 0.000 0.282 285 T C -0.846 173.751 174.700 -0.171 0.000 1.025 285 T CA -0.679 61.310 62.100 -0.185 0.000 1.020 285 T CB 1.339 70.198 68.868 -0.015 0.000 1.317 285 T HN 0.378 nan 8.240 nan 0.000 0.538 286 Y N -0.317 120.044 120.300 0.101 0.000 2.457 286 Y HA 0.621 5.172 4.550 0.001 0.000 0.333 286 Y C 0.907 176.884 175.900 0.130 0.000 1.119 286 Y CA -1.559 56.612 58.100 0.117 0.000 1.143 286 Y CB 1.054 39.575 38.460 0.102 0.000 1.230 286 Y HN 0.401 nan 8.280 nan 0.000 0.469 287 R N 3.042 123.738 120.500 0.325 0.000 2.216 287 R HA 0.520 4.860 4.340 0.001 0.000 0.332 287 R C -0.989 175.401 176.300 0.150 0.000 1.056 287 R CA 0.171 56.394 56.100 0.205 0.000 0.901 287 R CB -0.176 30.213 30.300 0.149 0.000 1.039 287 R HN 0.779 nan 8.270 nan 0.000 0.456 314 H N 0.321 119.479 119.070 0.146 0.000 2.851 314 H HA 0.316 4.873 4.556 0.001 0.000 0.372 314 H C -2.041 173.341 175.328 0.091 0.000 1.158 314 H CA -1.531 54.595 56.048 0.129 0.000 1.159 314 H CB 2.860 32.677 29.762 0.092 0.000 1.757 314 H HN -0.236 nan 8.280 nan 0.000 0.546 315 P HA -0.097 nan 4.420 nan 0.000 0.218 315 P C 1.563 178.849 177.300 -0.023 0.000 1.148 315 P CA 0.963 63.952 63.100 -0.185 0.000 0.822 315 P CB 0.731 32.282 31.700 -0.248 0.000 0.784 316 I N -0.365 120.294 120.570 0.149 0.000 2.233 316 I HA -0.167 4.004 4.170 0.001 0.000 0.243 316 I C 2.492 178.771 176.117 0.271 0.000 1.093 316 I CA 1.243 62.702 61.300 0.264 0.000 1.380 316 I CB -0.659 37.537 38.000 0.326 0.000 1.067 316 I HN -0.076 nan 8.210 nan 0.000 0.413 317 S N 0.320 116.180 115.700 0.267 0.000 2.370 317 S HA -0.235 4.236 4.470 0.001 0.000 0.226 317 S C 2.075 176.685 174.600 0.016 0.000 1.033 317 S CA 1.415 59.664 58.200 0.082 0.000 1.011 317 S CB -0.350 62.931 63.200 0.135 0.000 0.852 317 S HN 0.330 nan 8.310 nan 0.000 0.457 318 R N 0.386 120.967 120.500 0.134 0.000 2.066 318 R HA -0.046 4.294 4.340 0.001 0.000 0.232 318 R C 2.299 178.647 176.300 0.081 0.000 1.131 318 R CA 1.161 57.355 56.100 0.156 0.000 0.955 318 R CB -0.401 29.950 30.300 0.084 0.000 0.851 318 R HN 0.317 nan 8.270 nan 0.000 0.432 319 L N 1.354 122.584 121.223 0.011 0.000 2.083 319 L HA -0.131 4.210 4.340 0.001 0.000 0.209 319 L C 2.427 179.270 176.870 -0.044 0.000 1.083 319 L CA 1.685 56.505 54.840 -0.033 0.000 0.752 319 L CB -0.590 41.447 42.059 -0.038 0.000 0.899 319 L HN 0.123 nan 8.230 nan 0.000 0.433 320 R N -1.434 118.999 120.500 -0.111 0.000 2.083 320 R HA -0.213 4.127 4.340 0.001 0.000 0.237 320 R C 2.313 178.515 176.300 -0.163 0.000 1.137 320 R CA 1.790 57.708 56.100 -0.302 0.000 0.951 320 R CB -0.420 29.763 30.300 -0.195 0.000 0.851 320 R HN 0.538 nan 8.270 nan 0.000 0.434 321 H N -1.067 118.023 119.070 0.034 0.000 2.387 321 H HA -0.186 4.371 4.556 0.001 0.000 0.299 321 H C 1.802 177.145 175.328 0.025 0.000 1.090 321 H CA 1.675 57.745 56.048 0.036 0.000 1.332 321 H CB -0.647 29.147 29.762 0.053 0.000 1.386 321 H HN 0.345 nan 8.280 nan 0.000 0.516 322 Y N 1.569 121.899 120.300 0.050 0.000 2.114 322 Y HA -0.210 4.340 4.550 0.001 0.000 0.284 322 Y C 2.551 178.403 175.900 -0.081 0.000 1.143 322 Y CA 1.209 59.306 58.100 -0.004 0.000 1.135 322 Y CB -0.663 37.822 38.460 0.042 0.000 0.980 322 Y HN 0.002 nan 8.280 nan 0.000 0.499 323 L N -0.340 120.842 121.223 -0.068 0.000 1.990 323 L HA -0.321 4.020 4.340 0.001 0.000 0.213 323 L C 2.521 179.321 176.870 -0.117 0.000 1.072 323 L CA 1.854 56.636 54.840 -0.097 0.000 0.755 323 L CB -0.944 41.050 42.059 -0.108 0.000 0.889 323 L HN 0.321 nan 8.230 nan 0.000 0.432 324 L N -0.324 120.877 121.223 -0.036 0.000 2.042 324 L HA -0.223 4.118 4.340 0.001 0.000 0.210 324 L C 2.904 179.712 176.870 -0.103 0.000 1.076 324 L CA 1.623 56.465 54.840 0.003 0.000 0.749 324 L CB -0.816 41.283 42.059 0.067 0.000 0.893 324 L HN 0.431 nan 8.230 nan 0.000 0.432 325 S N -0.853 114.736 115.700 -0.185 0.000 2.399 325 S HA -0.192 4.279 4.470 0.001 0.000 0.231 325 S C 1.874 176.245 174.600 -0.382 0.000 1.022 325 S CA 0.825 58.881 58.200 -0.239 0.000 0.983 325 S CB -0.224 62.839 63.200 -0.228 0.000 0.803 325 S HN 0.420 nan 8.310 nan 0.000 0.480 326 Q N 0.670 120.080 119.800 -0.650 0.000 2.425 326 Q HA 0.254 4.595 4.340 0.001 0.000 0.204 326 Q C 1.485 177.182 176.000 -0.506 0.000 0.933 326 Q CA 0.716 55.987 55.803 -0.886 0.000 0.939 326 Q CB -0.286 27.210 28.738 -2.070 0.000 1.044 326 Q HN 0.842 nan 8.270 nan 0.000 0.513 327 G N 0.159 108.825 108.800 -0.223 0.000 2.160 327 G HA2 -0.191 3.770 3.960 0.001 0.000 0.244 327 G HA3 -0.191 3.770 3.960 0.001 0.000 0.244 327 G C 0.063 175.134 174.900 0.286 0.000 1.022 327 G CA 0.269 45.391 45.100 0.035 0.000 0.741 327 G HN 0.299 nan 8.290 nan 0.000 0.508 328 W N -0.837 120.477 121.300 0.023 0.000 3.278 328 W HA 0.554 5.215 4.660 0.002 0.000 0.308 328 W C 1.098 177.763 176.519 0.244 0.000 1.253 328 W CA -0.928 56.465 57.345 0.081 0.000 1.759 328 W CB -0.125 29.353 29.460 0.030 0.000 1.093 328 W HN 0.375 nan 8.180 nan 0.000 0.648 329 W N 1.380 122.743 121.300 0.105 0.000 3.005 329 W HA 0.303 4.964 4.660 0.001 0.000 0.343 329 W C -1.566 174.957 176.519 0.006 0.000 1.243 329 W CA -0.610 56.746 57.345 0.019 0.000 1.186 329 W CB 1.530 30.947 29.460 -0.072 0.000 1.453 329 W HN -0.132 nan 8.180 nan 0.000 0.575 330 D N -0.796 119.440 120.400 -0.272 0.000 2.692 330 D HA 0.156 4.797 4.640 0.001 0.000 0.303 330 D C 0.332 176.462 176.300 -0.283 0.000 1.278 330 D CA -0.424 53.471 54.000 -0.175 0.000 0.852 330 D CB 0.688 41.414 40.800 -0.122 0.000 1.375 330 D HN 0.369 nan 8.370 nan 0.000 0.453 331 E N -0.061 120.065 120.200 -0.124 0.000 2.077 331 E HA -0.215 4.136 4.350 0.001 0.000 0.193 331 E C 1.299 177.822 176.600 -0.128 0.000 0.989 331 E CA 1.103 57.455 56.400 -0.082 0.000 0.800 331 E CB 0.101 29.785 29.700 -0.026 0.000 0.746 331 E HN 0.646 nan 8.360 nan 0.000 0.452 332 E N 1.067 121.176 120.200 -0.153 0.000 2.085 332 E HA -0.232 4.119 4.350 0.001 0.000 0.194 332 E C 2.149 178.615 176.600 -0.224 0.000 0.994 332 E CA 1.137 57.450 56.400 -0.145 0.000 0.801 332 E CB 0.103 29.732 29.700 -0.118 0.000 0.743 332 E HN 0.281 nan 8.360 nan 0.000 0.453 333 Q N -0.003 119.527 119.800 -0.451 0.000 2.079 333 Q HA -0.213 4.127 4.340 0.001 0.000 0.200 333 Q C 2.089 177.743 176.000 -0.576 0.000 0.974 333 Q CA 1.482 56.841 55.803 -0.740 0.000 0.840 333 Q CB -0.076 27.799 28.738 -1.440 0.000 0.898 333 Q HN 0.156 nan 8.270 nan 0.000 0.430 334 E N 1.433 121.359 120.200 -0.456 0.000 2.058 334 E HA -0.203 4.148 4.350 0.001 0.000 0.194 334 E C 1.594 178.335 176.600 0.235 0.000 0.997 334 E CA 1.595 58.143 56.400 0.246 0.000 0.801 334 E CB 0.089 29.960 29.700 0.285 0.000 0.746 334 E HN 0.161 nan 8.360 nan 0.000 0.450 335 K N -0.278 120.167 120.400 0.074 0.000 2.026 335 K HA -0.081 4.240 4.320 0.001 0.000 0.208 335 K C 2.204 178.845 176.600 0.069 0.000 1.048 335 K CA 1.208 57.531 56.287 0.060 0.000 0.929 335 K CB -0.267 32.240 32.500 0.012 0.000 0.713 335 K HN 0.219 nan 8.250 nan 0.000 0.439 336 A N 1.207 124.064 122.820 0.061 0.000 1.933 336 A HA -0.188 4.133 4.320 0.001 0.000 0.218 336 A C 1.912 179.615 177.584 0.199 0.000 1.175 336 A CA 1.094 53.183 52.037 0.087 0.000 0.628 336 A CB -0.857 18.174 19.000 0.052 0.000 0.814 336 A HN 0.664 nan 8.150 nan 0.000 0.444 337 W N 0.569 121.930 121.300 0.101 0.000 2.418 337 W HA -0.108 4.553 4.660 0.001 0.000 0.292 337 W C 2.153 178.755 176.519 0.138 0.000 1.213 337 W CA 1.069 58.526 57.345 0.187 0.000 1.283 337 W CB -0.200 29.514 29.460 0.423 0.000 1.119 337 W HN 0.295 nan 8.180 nan 0.000 0.542 338 R N 0.679 121.183 120.500 0.007 0.000 2.103 338 R HA -0.250 4.091 4.340 0.001 0.000 0.242 338 R C 2.345 178.533 176.300 -0.186 0.000 1.142 338 R CA 2.350 58.368 56.100 -0.137 0.000 0.960 338 R CB -0.483 29.820 30.300 0.004 0.000 0.858 338 R HN 0.133 nan 8.270 nan 0.000 0.439 339 K N 0.610 120.951 120.400 -0.097 0.000 2.031 339 K HA -0.187 4.134 4.320 0.001 0.000 0.205 339 K C 2.163 178.690 176.600 -0.123 0.000 1.049 339 K CA 1.406 57.641 56.287 -0.087 0.000 0.939 339 K CB 0.013 32.494 32.500 -0.031 0.000 0.717 339 K HN 0.101 nan 8.250 nan 0.000 0.438 340 Q N 0.489 120.217 119.800 -0.120 0.000 2.119 340 Q HA -0.141 4.199 4.340 0.001 0.000 0.201 340 Q C 1.889 177.717 176.000 -0.287 0.000 0.972 340 Q CA 1.985 57.720 55.803 -0.113 0.000 0.847 340 Q CB -0.017 28.755 28.738 0.056 0.000 0.903 340 Q HN 0.485 nan 8.270 nan 0.000 0.433 341 S N -0.123 115.213 115.700 -0.608 0.000 2.387 341 S HA -0.129 4.342 4.470 0.001 0.000 0.226 341 S C 1.960 176.351 174.600 -0.348 0.000 1.026 341 S CA 0.732 58.515 58.200 -0.695 0.000 0.972 341 S CB -0.361 62.127 63.200 -1.186 0.000 0.814 341 S HN 0.354 nan 8.310 nan 0.000 0.477 342 R N 1.942 122.271 120.500 -0.285 0.000 2.081 342 R HA -0.099 4.242 4.340 0.001 0.000 0.235 342 R C 2.800 179.020 176.300 -0.133 0.000 1.131 342 R CA 1.573 57.563 56.100 -0.183 0.000 0.960 342 R CB -0.326 29.883 30.300 -0.151 0.000 0.856 342 R HN 0.658 nan 8.270 nan 0.000 0.436 343 R N 0.830 121.259 120.500 -0.118 0.000 2.081 343 R HA -0.142 4.198 4.340 0.001 0.000 0.235 343 R C 1.775 178.041 176.300 -0.056 0.000 1.131 343 R CA 1.821 57.878 56.100 -0.072 0.000 0.960 343 R CB -0.217 30.052 30.300 -0.052 0.000 0.856 343 R HN 0.136 nan 8.270 nan 0.000 0.436 344 K N 0.370 120.726 120.400 -0.073 0.000 2.057 344 K HA -0.062 4.259 4.320 0.001 0.000 0.207 344 K C 2.096 178.682 176.600 -0.024 0.000 1.049 344 K CA 1.611 57.875 56.287 -0.039 0.000 0.931 344 K CB -0.027 32.451 32.500 -0.037 0.000 0.714 344 K HN 0.027 nan 8.250 nan 0.000 0.440 345 V N 1.203 121.085 119.914 -0.052 0.000 2.358 345 V HA -0.231 3.890 4.120 0.001 0.000 0.246 345 V C 2.264 178.371 176.094 0.021 0.000 1.047 345 V CA 1.382 63.668 62.300 -0.022 0.000 1.035 345 V CB -0.312 31.467 31.823 -0.073 0.000 0.658 345 V HN 0.346 nan 8.190 nan 0.000 0.452 346 M N -0.285 119.306 119.600 -0.015 0.000 2.175 346 M HA -0.144 4.337 4.480 0.001 0.000 0.264 346 M C 2.190 178.543 176.300 0.087 0.000 1.063 346 M CA 1.611 56.928 55.300 0.027 0.000 1.119 346 M CB -1.138 31.444 32.600 -0.030 0.000 1.377 346 M HN 0.572 nan 8.290 nan 0.000 0.415 347 E N 0.245 120.467 120.200 0.038 0.000 2.051 347 E HA -0.164 4.187 4.350 0.001 0.000 0.192 347 E C 1.945 178.562 176.600 0.029 0.000 0.991 347 E CA 1.475 57.891 56.400 0.026 0.000 0.799 347 E CB 0.060 29.763 29.700 0.006 0.000 0.748 347 E HN 0.398 nan 8.360 nan 0.000 0.449 348 A N 0.601 123.449 122.820 0.046 0.000 1.902 348 A HA -0.154 4.166 4.320 0.001 0.000 0.217 348 A C 2.010 179.623 177.584 0.047 0.000 1.181 348 A CA 1.291 53.352 52.037 0.040 0.000 0.623 348 A CB -0.904 18.135 19.000 0.065 0.000 0.818 348 A HN 0.522 nan 8.150 nan 0.000 0.443 349 F N 0.927 120.849 119.950 -0.047 0.000 2.075 349 F HA -0.166 4.362 4.527 0.001 0.000 0.297 349 F C 2.227 177.937 175.800 -0.150 0.000 1.113 349 F CA 2.302 60.264 58.000 -0.065 0.000 1.218 349 F CB -0.420 38.559 39.000 -0.034 0.000 0.984 349 F HN 0.357 nan 8.300 nan 0.000 0.472 350 E N -0.255 119.937 120.200 -0.013 0.000 2.058 350 E HA -0.340 4.011 4.350 0.001 0.000 0.194 350 E C 2.227 178.691 176.600 -0.226 0.000 0.997 350 E CA 1.568 57.888 56.400 -0.134 0.000 0.801 350 E CB -0.454 29.248 29.700 0.003 0.000 0.746 350 E HN 0.613 nan 8.360 nan 0.000 0.450 351 Q N 0.630 120.334 119.800 -0.159 0.000 2.124 351 Q HA -0.197 4.144 4.340 0.001 0.000 0.202 351 Q C 2.109 177.963 176.000 -0.243 0.000 0.977 351 Q CA 1.540 57.247 55.803 -0.160 0.000 0.850 351 Q CB -0.128 28.552 28.738 -0.098 0.000 0.901 351 Q HN 0.248 nan 8.270 nan 0.000 0.429 352 A N 0.937 123.559 122.820 -0.329 0.000 1.898 352 A HA -0.172 4.148 4.320 0.001 0.000 0.216 352 A C 1.808 178.972 177.584 -0.701 0.000 1.181 352 A CA 1.426 53.209 52.037 -0.423 0.000 0.620 352 A CB -0.448 18.320 19.000 -0.385 0.000 0.819 352 A HN 0.532 nan 8.150 nan 0.000 0.442 353 E N -0.469 119.169 120.200 -0.937 0.000 2.150 353 E HA -0.156 4.195 4.350 0.001 0.000 0.193 353 E C 2.258 178.583 176.600 -0.459 0.000 0.985 353 E CA 0.668 56.539 56.400 -0.883 0.000 0.814 353 E CB -0.148 29.066 29.700 -0.810 0.000 0.752 353 E HN 0.516 nan 8.360 nan 0.000 0.466 354 R N 1.172 121.464 120.500 -0.347 0.000 2.075 354 R HA -0.018 4.322 4.340 0.001 0.000 0.232 354 R C 0.804 176.995 176.300 -0.182 0.000 1.126 354 R CA 0.714 56.684 56.100 -0.216 0.000 0.963 354 R CB -0.081 30.121 30.300 -0.163 0.000 0.858 354 R HN -0.018 nan 8.270 nan 0.000 0.435 355 K N 1.713 121.997 120.400 -0.193 0.000 2.355 355 K HA 0.075 4.396 4.320 0.001 0.000 0.270 355 K C -2.195 174.319 176.600 -0.143 0.000 1.003 355 K CA -1.353 54.849 56.287 -0.141 0.000 0.957 355 K CB 0.333 32.756 32.500 -0.129 0.000 0.939 355 K HN -0.015 nan 8.250 nan 0.000 0.482 356 P HA 0.054 nan 4.420 nan 0.000 0.274 356 P C -0.917 176.283 177.300 -0.167 0.000 1.246 356 P CA -0.305 62.720 63.100 -0.124 0.000 0.795 356 P CB 0.639 32.306 31.700 -0.054 0.000 1.006 357 K N 0.773 120.987 120.400 -0.311 0.000 2.107 357 K HA 0.421 4.742 4.320 0.001 0.000 0.251 357 K C -2.156 174.364 176.600 -0.134 0.000 1.012 357 K CA -2.128 53.941 56.287 -0.363 0.000 0.920 357 K CB -1.037 30.898 32.500 -0.942 0.000 1.033 357 K HN 0.312 nan 8.250 nan 0.000 0.478 358 P HA 0.031 nan 4.420 nan 0.000 0.274 358 P C -0.198 177.241 177.300 0.231 0.000 1.256 358 P CA -0.505 62.659 63.100 0.107 0.000 0.795 358 P CB 0.347 32.108 31.700 0.102 0.000 1.038 359 N N 1.489 120.296 118.700 0.177 0.000 2.412 359 N HA -0.021 4.720 4.740 0.001 0.000 0.258 359 N C -1.539 174.084 175.510 0.189 0.000 1.236 359 N CA -1.063 52.098 53.050 0.185 0.000 0.882 359 N CB -0.107 38.453 38.487 0.122 0.000 1.066 359 N HN 0.163 nan 8.380 nan 0.000 0.465 360 P HA -0.090 nan 4.420 nan 0.000 0.220 360 P C 0.702 178.084 177.300 0.136 0.000 1.144 360 P CA 0.880 64.023 63.100 0.072 0.000 0.800 360 P CB 0.279 31.948 31.700 -0.051 0.000 0.772 361 N N -0.625 118.178 118.700 0.172 0.000 2.272 361 N HA -0.101 4.640 4.740 0.001 0.000 0.185 361 N C 1.444 177.103 175.510 0.247 0.000 1.014 361 N CA 0.912 54.111 53.050 0.248 0.000 0.870 361 N CB -0.638 37.938 38.487 0.147 0.000 0.975 361 N HN 0.270 nan 8.380 nan 0.000 0.433 362 L N 0.928 122.240 121.223 0.148 0.000 2.622 362 L HA 0.010 4.351 4.340 0.001 0.000 0.233 362 L C 2.121 179.013 176.870 0.035 0.000 1.156 362 L CA 0.125 55.026 54.840 0.102 0.000 0.866 362 L CB -0.296 41.816 42.059 0.089 0.000 0.980 362 L HN 0.199 nan 8.230 nan 0.000 0.448 363 L N -1.305 119.889 121.223 -0.049 0.000 2.291 363 L HA -0.132 4.209 4.340 0.001 0.000 0.214 363 L C 1.780 178.388 176.870 -0.436 0.000 1.120 363 L CA 1.373 56.036 54.840 -0.295 0.000 0.799 363 L CB -0.043 41.739 42.059 -0.461 0.000 0.925 363 L HN 0.105 nan 8.230 nan 0.000 0.446 364 F N -0.208 119.754 119.950 0.019 0.000 2.717 364 F HA 0.170 4.698 4.527 0.001 0.000 0.295 364 F C 1.676 177.497 175.800 0.035 0.000 1.117 364 F CA -0.032 57.983 58.000 0.024 0.000 1.361 364 F CB -0.127 38.886 39.000 0.021 0.000 1.112 364 F HN 0.075 nan 8.300 nan 0.000 0.594 365 S N -0.460 115.348 115.700 0.180 0.000 2.610 365 S HA 0.285 4.756 4.470 0.001 0.000 0.273 365 S C 0.161 174.809 174.600 0.080 0.000 1.274 365 S CA -0.481 57.797 58.200 0.129 0.000 1.023 365 S CB 1.289 64.553 63.200 0.108 0.000 0.962 365 S HN 0.326 nan 8.310 nan 0.000 0.523 366 D N -0.545 119.902 120.400 0.077 0.000 3.006 366 D HA -0.137 4.503 4.640 0.001 0.000 0.205 366 D C 0.910 177.211 176.300 0.002 0.000 1.075 366 D CA 0.919 54.947 54.000 0.046 0.000 1.000 366 D CB -1.925 38.894 40.800 0.032 0.000 1.097 366 D HN 0.345 nan 8.370 nan 0.000 0.426 367 V N -0.711 119.202 119.914 -0.000 0.000 2.270 367 V HA -0.159 3.962 4.120 0.001 0.000 0.245 367 V C 1.270 177.169 176.094 -0.326 0.000 1.043 367 V CA 1.751 63.973 62.300 -0.130 0.000 1.014 367 V CB -0.273 31.516 31.823 -0.056 0.000 0.645 367 V HN 0.216 nan 8.190 nan 0.000 0.447 368 Y N -1.382 118.941 120.300 0.039 0.000 2.631 368 Y HA 0.317 4.867 4.550 0.001 0.000 0.328 368 Y C 1.479 177.401 175.900 0.036 0.000 1.118 368 Y CA -0.516 57.604 58.100 0.034 0.000 1.206 368 Y CB 0.777 39.256 38.460 0.032 0.000 1.337 368 Y HN -0.157 nan 8.280 nan 0.000 0.515 369 Q N 0.413 120.334 119.800 0.201 0.000 1.993 369 Q HA -0.139 4.202 4.340 0.001 0.000 0.202 369 Q C 0.477 176.547 176.000 0.117 0.000 0.984 369 Q CA 1.478 57.353 55.803 0.121 0.000 0.837 369 Q CB -0.061 28.734 28.738 0.096 0.000 0.902 369 Q HN 0.734 nan 8.270 nan 0.000 0.423 370 E N 0.293 120.565 120.200 0.121 0.000 2.342 370 E HA 0.063 4.413 4.350 0.001 0.000 0.257 370 E C -0.640 176.031 176.600 0.118 0.000 1.150 370 E CA -0.274 56.178 56.400 0.087 0.000 0.926 370 E CB 0.627 30.355 29.700 0.047 0.000 1.074 370 E HN 0.266 nan 8.360 nan 0.000 0.449 371 M N 1.825 121.475 119.600 0.085 0.000 2.066 371 M HA 0.302 4.783 4.480 0.001 0.000 0.340 371 M C -2.365 173.962 176.300 0.044 0.000 1.053 371 M CA -2.035 53.325 55.300 0.099 0.000 0.983 371 M CB 1.349 34.000 32.600 0.085 0.000 1.520 371 M HN 0.250 nan 8.290 nan 0.000 0.428 372 P HA 0.086 nan 4.420 nan 0.000 0.268 372 P C -0.077 177.215 177.300 -0.013 0.000 1.208 372 P CA 0.040 63.116 63.100 -0.040 0.000 0.777 372 P CB 0.613 32.254 31.700 -0.099 0.000 0.875 373 A N 2.001 124.804 122.820 -0.029 0.000 1.933 373 A HA -0.221 4.099 4.320 0.001 0.000 0.218 373 A C 1.963 179.533 177.584 -0.023 0.000 1.175 373 A CA 1.382 53.403 52.037 -0.026 0.000 0.628 373 A CB -0.902 18.081 19.000 -0.028 0.000 0.814 373 A HN 0.519 nan 8.150 nan 0.000 0.444 374 Q N -1.126 118.665 119.800 -0.015 0.000 2.167 374 Q HA -0.089 4.252 4.340 0.001 0.000 0.202 374 Q C 2.006 178.013 176.000 0.011 0.000 0.970 374 Q CA 0.993 56.793 55.803 -0.004 0.000 0.855 374 Q CB -0.417 28.323 28.738 0.003 0.000 0.911 374 Q HN 0.574 nan 8.270 nan 0.000 0.438 375 L N 0.730 121.974 121.223 0.035 0.000 2.072 375 L HA -0.080 4.260 4.340 0.001 0.000 0.205 375 L C 2.452 179.300 176.870 -0.037 0.000 1.079 375 L CA 1.589 56.473 54.840 0.074 0.000 0.752 375 L CB -0.459 41.700 42.059 0.165 0.000 0.906 375 L HN 0.039 nan 8.230 nan 0.000 0.436 376 R N -0.311 120.155 120.500 -0.057 0.000 2.105 376 R HA -0.245 4.096 4.340 0.001 0.000 0.239 376 R C 2.409 178.607 176.300 -0.170 0.000 1.135 376 R CA 1.908 57.931 56.100 -0.128 0.000 0.967 376 R CB -0.216 30.042 30.300 -0.071 0.000 0.861 376 R HN 0.358 nan 8.270 nan 0.000 0.442 377 K N 0.308 120.644 120.400 -0.107 0.000 2.063 377 K HA -0.226 4.095 4.320 0.001 0.000 0.208 377 K C 2.000 178.525 176.600 -0.125 0.000 1.048 377 K CA 1.918 58.149 56.287 -0.093 0.000 0.928 377 K CB 0.018 32.490 32.500 -0.048 0.000 0.713 377 K HN 0.328 nan 8.250 nan 0.000 0.442 378 Q N 0.184 119.908 119.800 -0.128 0.000 2.124 378 Q HA -0.217 4.124 4.340 0.001 0.000 0.202 378 Q C 2.253 178.015 176.000 -0.397 0.000 0.977 378 Q CA 1.684 57.415 55.803 -0.120 0.000 0.850 378 Q CB -0.059 28.728 28.738 0.082 0.000 0.901 378 Q HN 0.454 nan 8.270 nan 0.000 0.429 379 Q N 1.126 120.403 119.800 -0.873 0.000 2.050 379 Q HA -0.233 4.108 4.340 0.001 0.000 0.202 379 Q C 1.595 177.303 176.000 -0.487 0.000 0.980 379 Q CA 1.511 56.549 55.803 -1.274 0.000 0.840 379 Q CB 0.108 28.149 28.738 -1.161 0.000 0.898 379 Q HN 0.414 nan 8.270 nan 0.000 0.424 380 E N 0.188 120.208 120.200 -0.301 0.000 2.110 380 E HA -0.183 4.168 4.350 0.001 0.000 0.193 380 E C 2.132 178.673 176.600 -0.099 0.000 0.988 380 E CA 1.372 57.679 56.400 -0.155 0.000 0.804 380 E CB -0.077 29.557 29.700 -0.110 0.000 0.745 380 E HN 0.467 nan 8.360 nan 0.000 0.458 381 S N 0.978 116.620 115.700 -0.097 0.000 2.382 381 S HA -0.159 4.312 4.470 0.001 0.000 0.228 381 S C 2.057 176.656 174.600 -0.002 0.000 1.027 381 S CA 0.801 58.982 58.200 -0.033 0.000 0.991 381 S CB -0.220 62.963 63.200 -0.028 0.000 0.823 381 S HN 0.193 nan 8.310 nan 0.000 0.469 382 L N 2.052 123.255 121.223 -0.033 0.000 2.056 382 L HA 0.261 4.602 4.340 0.001 0.000 0.207 382 L C 2.705 179.588 176.870 0.021 0.000 1.078 382 L CA 1.687 56.534 54.840 0.012 0.000 0.749 382 L CB -1.376 40.737 42.059 0.089 0.000 0.901 382 L HN 0.368 nan 8.230 nan 0.000 0.433 383 A N -0.406 122.403 122.820 -0.019 0.000 1.902 383 A HA -0.194 4.126 4.320 0.001 0.000 0.217 383 A C 2.414 180.004 177.584 0.009 0.000 1.181 383 A CA 1.632 53.660 52.037 -0.014 0.000 0.623 383 A CB -0.523 18.456 19.000 -0.036 0.000 0.818 383 A HN 0.485 nan 8.150 nan 0.000 0.443 384 R N -1.697 118.817 120.500 0.023 0.000 2.081 384 R HA -0.168 4.173 4.340 0.001 0.000 0.235 384 R C 2.237 178.594 176.300 0.094 0.000 1.131 384 R CA 1.688 57.814 56.100 0.043 0.000 0.960 384 R CB -0.567 29.761 30.300 0.045 0.000 0.856 384 R HN 0.808 nan 8.270 nan 0.000 0.436 385 H N 0.919 120.011 119.070 0.037 0.000 2.353 385 H HA -0.028 4.529 4.556 0.001 0.000 0.300 385 H C 1.927 177.322 175.328 0.112 0.000 1.090 385 H CA 1.539 57.659 56.048 0.120 0.000 1.327 385 H CB -0.108 29.673 29.762 0.032 0.000 1.383 385 H HN 0.049 nan 8.280 nan 0.000 0.508 386 L N -0.070 121.179 121.223 0.043 0.000 2.201 386 L HA -0.146 4.195 4.340 0.001 0.000 0.212 386 L C 2.548 179.393 176.870 -0.041 0.000 1.105 386 L CA 0.999 55.805 54.840 -0.057 0.000 0.775 386 L CB -0.414 41.591 42.059 -0.091 0.000 0.913 386 L HN 0.424 nan 8.230 nan 0.000 0.440 387 Q N -0.514 119.265 119.800 -0.035 0.000 2.096 387 Q HA -0.190 4.151 4.340 0.001 0.000 0.204 387 Q C 2.101 178.041 176.000 -0.100 0.000 0.982 387 Q CA 2.165 57.937 55.803 -0.052 0.000 0.850 387 Q CB -0.062 28.651 28.738 -0.041 0.000 0.901 387 Q HN 0.489 nan 8.270 nan 0.000 0.422 388 T N -1.018 113.442 114.554 -0.158 0.000 2.901 388 T HA -0.040 4.310 4.350 0.001 0.000 0.252 388 T C 0.624 175.060 174.700 -0.440 0.000 1.035 388 T CA 0.855 62.741 62.100 -0.356 0.000 1.142 388 T CB -0.020 68.540 68.868 -0.513 0.000 0.869 388 T HN 0.260 nan 8.240 nan 0.000 0.442 389 Y N 0.614 120.834 120.300 -0.133 0.000 2.584 389 Y HA 0.435 4.986 4.550 0.001 0.000 0.254 389 Y C 2.132 178.131 175.900 0.165 0.000 1.177 389 Y CA -0.942 57.167 58.100 0.015 0.000 1.216 389 Y CB -0.158 38.225 38.460 -0.127 0.000 1.172 389 Y HN 0.207 nan 8.280 nan 0.000 0.529 390 G N 0.931 109.816 108.800 0.142 0.000 2.462 390 G HA2 -0.310 3.651 3.960 0.001 0.000 0.220 390 G HA3 -0.310 3.651 3.960 0.001 0.000 0.220 390 G C 1.522 176.511 174.900 0.148 0.000 1.121 390 G CA 1.210 46.408 45.100 0.164 0.000 0.758 390 G HN 0.630 nan 8.290 nan 0.000 0.559 391 E N -0.019 120.159 120.200 -0.037 0.000 2.333 391 E HA -0.178 4.173 4.350 0.001 0.000 0.198 391 E C 1.286 177.753 176.600 -0.222 0.000 1.007 391 E CA 0.871 57.170 56.400 -0.169 0.000 0.845 391 E CB -0.440 29.083 29.700 -0.296 0.000 0.766 391 E HN 0.534 nan 8.360 nan 0.000 0.507 392 H N -0.756 118.358 119.070 0.072 0.000 2.536 392 H HA 0.162 4.718 4.556 0.001 0.000 0.276 392 H C -0.510 174.547 175.328 -0.453 0.000 1.019 392 H CA 0.321 56.276 56.048 -0.155 0.000 1.159 392 H CB -0.207 29.437 29.762 -0.198 0.000 1.373 392 H HN 0.202 nan 8.280 nan 0.000 0.584 393 Y N 0.457 120.800 120.300 0.071 0.000 2.536 393 Y HA 0.290 4.841 4.550 0.001 0.000 0.347 393 Y C -1.846 174.039 175.900 -0.025 0.000 1.000 393 Y CA -2.946 55.170 58.100 0.026 0.000 1.051 393 Y CB 1.412 39.880 38.460 0.014 0.000 1.259 393 Y HN -0.112 nan 8.280 nan 0.000 0.468 394 P HA 0.130 nan 4.420 nan 0.000 0.228 394 P C 0.442 177.798 177.300 0.092 0.000 1.748 394 P CA 0.417 63.531 63.100 0.023 0.000 0.909 394 P CB -0.292 31.500 31.700 0.154 0.000 1.882 395 L N -0.529 120.735 121.223 0.069 0.000 2.265 395 L HA -0.129 4.211 4.340 0.001 0.000 0.215 395 L C 1.616 178.587 176.870 0.168 0.000 1.117 395 L CA 1.185 56.086 54.840 0.103 0.000 0.782 395 L CB -0.503 41.592 42.059 0.059 0.000 0.914 395 L HN 0.054 nan 8.230 nan 0.000 0.441 396 D N -1.258 119.188 120.400 0.077 0.000 2.323 396 D HA -0.084 4.557 4.640 0.001 0.000 0.209 396 D C 1.838 178.261 176.300 0.204 0.000 0.973 396 D CA 0.903 54.956 54.000 0.087 0.000 0.874 396 D CB 0.031 40.838 40.800 0.011 0.000 0.930 396 D HN 0.468 nan 8.370 nan 0.000 0.521 397 H N -1.764 117.423 119.070 0.195 0.000 2.551 397 H HA 0.111 4.668 4.556 0.001 0.000 0.266 397 H C -0.051 175.220 175.328 -0.096 0.000 0.964 397 H CA -0.198 55.882 56.048 0.054 0.000 1.180 397 H CB 0.446 30.241 29.762 0.056 0.000 1.408 397 H HN -0.012 nan 8.280 nan 0.000 0.563 398 F N 1.066 121.104 119.950 0.147 0.000 2.480 398 F HA 0.148 4.675 4.527 0.001 0.000 0.329 398 F C 0.378 176.218 175.800 0.068 0.000 1.091 398 F CA -1.512 56.547 58.000 0.098 0.000 0.972 398 F CB 1.069 40.123 39.000 0.089 0.000 1.150 398 F HN -0.049 nan 8.300 nan 0.000 0.467 399 D N 3.193 123.707 120.400 0.190 0.000 2.419 399 D HA 0.101 4.742 4.640 0.001 0.000 0.236 399 D C -0.022 176.356 176.300 0.130 0.000 1.165 399 D CA 0.489 54.562 54.000 0.121 0.000 0.882 399 D CB 0.548 41.398 40.800 0.082 0.000 1.201 399 D HN 0.314 nan 8.370 nan 0.000 0.443 400 K N 0.000 120.452 120.400 0.087 0.000 2.780 400 K HA 0.000 4.321 4.320 0.001 0.000 0.191 400 K CA 0.000 56.328 56.287 0.069 0.000 0.838 400 K CB 0.000 32.536 32.500 0.061 0.000 1.064 400 K HN 0.000 nan 8.250 nan 0.000 0.543