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 2b4f_1_A DATA FIRST_RESID 1 DATA SEQUENCE AFNNNPSSVG AYSSGTYRNL AQEMGKTNIQ QKVNSTFDNM FGYNNTQQLY DATA SEQUENCE YPYTENGVYK AHYIKAINPD EGDDIRTEGQ SWGMTAAVML NKQEEFDNLW DATA SEQUENCE RFAKAYQKNP DNHPDAKKQG VYAWKLKLNQ NGFVYKVDEG PAPAGEEYFA DATA SEQUENCE FALLNASARW GNSGEFNYYN DAITMLNTIK NKLMENQIIR FSPYIDNLTD DATA SEQUENCE PSYHIPAFYD YFANNVTNQA DKNYWRQVAT KSRTLLKNHF TKVSGSPHWN DATA SEQUENCE LPTFLSRLDG SPVIGYIFNG QANPGQWYEF DAWRVIMNVG LDAHLMGAQA DATA SEQUENCE WHKSAVNKAL GFLSYAKTNN SKNcYEQVYS YGGAQNRGcA GEGQKAANAV DATA SEQUENCE ALLASTNAGQ ANEFFNEFWS LSQPTGDYRY YNGSLYMLAM LHVSGNFKFY DATA SEQUENCE NNTF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.574 177.584 -0.017 0.000 1.274 1 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 1 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 2 F N 2.291 122.163 119.950 -0.130 0.000 2.602 2 F HA 0.291 5.179 4.527 0.601 0.000 0.385 2 F C 0.717 176.447 175.800 -0.118 0.000 1.063 2 F CA 0.148 58.062 58.000 -0.144 0.000 1.233 2 F CB 0.458 39.384 39.000 -0.124 0.000 1.067 2 F HN 0.592 nan 8.300 nan 0.000 0.564 3 N N 5.525 123.732 118.700 -0.823 0.000 2.448 3 N HA -0.032 5.063 4.740 0.591 0.000 0.250 3 N C 0.386 175.181 175.510 -1.192 0.000 1.136 3 N CA -0.153 52.440 53.050 -0.763 0.000 0.953 3 N CB -0.289 37.898 38.487 -0.500 0.000 1.251 3 N HN 0.676 nan 8.380 nan 0.000 0.502 4 N N 2.109 120.362 118.700 -0.744 0.000 2.434 4 N HA -0.040 5.055 4.740 0.591 0.000 0.196 4 N C -0.499 174.872 175.510 -0.231 0.000 1.183 4 N CA 0.064 52.878 53.050 -0.394 0.000 0.849 4 N CB -0.117 38.372 38.487 0.004 0.000 0.992 4 N HN 0.266 nan 8.380 nan 0.000 0.460 5 N N 1.257 119.794 118.700 -0.272 0.000 2.723 5 N HA 0.281 5.375 4.740 0.591 0.000 0.290 5 N C -2.833 172.558 175.510 -0.199 0.000 1.882 5 N CA -1.607 51.333 53.050 -0.184 0.000 0.851 5 N CB 0.788 39.190 38.487 -0.142 0.000 1.234 5 N HN 0.094 nan 8.380 nan 0.000 0.491 6 P HA 0.040 nan 4.420 nan 0.000 0.268 6 P C 0.050 177.249 177.300 -0.168 0.000 1.205 6 P CA 0.010 62.983 63.100 -0.210 0.000 0.771 6 P CB 0.939 32.507 31.700 -0.219 0.000 0.858 7 S N 1.466 117.075 115.700 -0.151 0.000 2.576 7 S HA 0.086 4.911 4.470 0.591 0.000 0.276 7 S C 1.496 176.019 174.600 -0.128 0.000 1.339 7 S CA 0.035 58.160 58.200 -0.126 0.000 1.039 7 S CB 0.031 63.163 63.200 -0.114 0.000 0.902 7 S HN 0.501 nan 8.310 nan 0.000 0.516 8 S N 2.975 118.615 115.700 -0.101 0.000 2.561 8 S HA 0.100 4.924 4.470 0.591 0.000 0.225 8 S C 0.311 174.865 174.600 -0.076 0.000 0.977 8 S CA -0.181 57.967 58.200 -0.086 0.000 0.926 8 S CB -0.278 62.891 63.200 -0.052 0.000 0.769 8 S HN 0.477 nan 8.310 nan 0.000 0.533 9 V N 2.191 122.055 119.914 -0.085 0.000 2.370 9 V HA 0.673 5.148 4.120 0.591 0.000 0.279 9 V C 1.005 177.028 176.094 -0.117 0.000 1.029 9 V CA -0.518 61.731 62.300 -0.084 0.000 0.870 9 V CB 0.804 32.581 31.823 -0.077 0.000 0.984 9 V HN 0.424 nan 8.190 nan 0.000 0.451 10 G N 2.774 111.503 108.800 -0.119 0.000 2.537 10 G HA2 0.455 4.769 3.960 0.591 0.000 0.273 10 G HA3 0.455 4.769 3.960 0.591 0.000 0.273 10 G C 1.021 175.771 174.900 -0.250 0.000 1.189 10 G CA 0.098 45.093 45.100 -0.174 0.000 0.881 10 G HN 0.983 nan 8.290 nan 0.000 0.535 11 A N 0.244 122.797 122.820 -0.445 0.000 2.019 11 A HA -0.096 4.579 4.320 0.591 0.000 0.219 11 A C 1.977 179.245 177.584 -0.528 0.000 1.164 11 A CA 1.594 53.190 52.037 -0.735 0.000 0.644 11 A CB -0.576 17.508 19.000 -1.527 0.000 0.805 11 A HN 0.755 nan 8.150 nan 0.000 0.449 12 Y N 0.731 120.753 120.300 -0.465 0.000 2.224 12 Y HA -0.119 4.786 4.550 0.591 0.000 0.289 12 Y C 2.803 178.652 175.900 -0.085 0.000 1.146 12 Y CA 1.084 59.062 58.100 -0.203 0.000 1.182 12 Y CB -0.665 37.728 38.460 -0.111 0.000 0.983 12 Y HN 0.356 nan 8.280 nan 0.000 0.524 13 S N -1.044 114.579 115.700 -0.128 0.000 2.348 13 S HA -0.111 4.713 4.470 0.591 0.000 0.219 13 S C 2.292 176.816 174.600 -0.127 0.000 1.033 13 S CA 1.438 59.540 58.200 -0.163 0.000 0.974 13 S CB -0.802 62.329 63.200 -0.115 0.000 0.868 13 S HN 0.603 nan 8.310 nan 0.000 0.459 14 S N -0.169 115.449 115.700 -0.137 0.000 2.461 14 S HA 0.264 5.089 4.470 0.591 0.000 0.228 14 S C 1.758 176.294 174.600 -0.107 0.000 1.005 14 S CA 1.151 59.279 58.200 -0.119 0.000 0.942 14 S CB -0.697 62.425 63.200 -0.130 0.000 0.776 14 S HN 1.426 nan 8.310 nan 0.000 0.514 15 G N 0.551 109.270 108.800 -0.135 0.000 2.189 15 G HA2 -0.242 4.072 3.960 0.591 0.000 0.267 15 G HA3 -0.242 4.072 3.960 0.591 0.000 0.267 15 G C 0.168 175.023 174.900 -0.076 0.000 0.975 15 G CA 0.556 45.619 45.100 -0.061 0.000 0.644 15 G HN 0.662 nan 8.290 nan 0.000 0.537 16 T N 1.170 115.606 114.554 -0.198 0.000 2.762 16 T HA 0.521 5.225 4.350 0.591 0.000 0.303 16 T C -0.528 174.023 174.700 -0.249 0.000 0.977 16 T CA -0.123 61.897 62.100 -0.132 0.000 0.961 16 T CB 0.499 69.305 68.868 -0.103 0.000 0.944 16 T HN 0.232 nan 8.240 nan 0.000 0.481 17 Y N 2.474 122.774 120.300 0.001 0.000 2.326 17 Y HA 0.375 5.278 4.550 0.590 0.000 0.337 17 Y C 1.243 177.244 175.900 0.168 0.000 1.023 17 Y CA -1.030 57.127 58.100 0.096 0.000 1.143 17 Y CB 0.803 39.289 38.460 0.043 0.000 1.183 17 Y HN 0.383 nan 8.280 nan 0.000 0.485 18 R N 2.067 122.817 120.500 0.417 0.000 2.679 18 R HA 0.017 4.712 4.340 0.591 0.000 0.268 18 R C -0.134 176.204 176.300 0.064 0.000 1.044 18 R CA -0.068 56.075 56.100 0.072 0.000 1.105 18 R CB 0.276 30.442 30.300 -0.223 0.000 0.989 18 R HN 0.525 nan 8.270 nan 0.000 0.447 19 N N 3.307 122.003 118.700 -0.005 0.000 2.626 19 N HA 0.017 5.111 4.740 0.591 0.000 0.242 19 N C 0.278 175.726 175.510 -0.103 0.000 1.005 19 N CA -0.216 52.827 53.050 -0.012 0.000 0.905 19 N CB 1.084 39.575 38.487 0.006 0.000 1.128 19 N HN 0.441 nan 8.380 nan 0.000 0.512 20 L N 4.492 125.638 121.223 -0.130 0.000 2.093 20 L HA 0.092 4.787 4.340 0.591 0.000 0.208 20 L C 1.978 178.563 176.870 -0.475 0.000 1.085 20 L CA 1.976 56.670 54.840 -0.243 0.000 0.755 20 L CB -0.674 41.281 42.059 -0.174 0.000 0.904 20 L HN 0.564 nan 8.230 nan 0.000 0.435 21 A N -1.010 121.581 122.820 -0.382 0.000 1.933 21 A HA -0.281 4.394 4.320 0.591 0.000 0.218 21 A C 2.327 179.646 177.584 -0.443 0.000 1.175 21 A CA 1.804 53.501 52.037 -0.567 0.000 0.628 21 A CB -0.669 18.098 19.000 -0.389 0.000 0.814 21 A HN 0.668 nan 8.150 nan 0.000 0.444 22 Q N -0.304 119.348 119.800 -0.247 0.000 2.046 22 Q HA -0.218 4.477 4.340 0.591 0.000 0.200 22 Q C 1.902 177.794 176.000 -0.180 0.000 0.975 22 Q CA 1.739 57.444 55.803 -0.163 0.000 0.836 22 Q CB -0.192 28.494 28.738 -0.088 0.000 0.896 22 Q HN 0.768 nan 8.270 nan 0.000 0.428 23 E N -0.291 119.790 120.200 -0.199 0.000 2.130 23 E HA -0.198 4.506 4.350 0.591 0.000 0.196 23 E C 1.562 178.052 176.600 -0.184 0.000 0.998 23 E CA 1.118 57.415 56.400 -0.171 0.000 0.806 23 E CB 0.014 29.617 29.700 -0.162 0.000 0.738 23 E HN 0.425 nan 8.360 nan 0.000 0.459 24 M N -0.818 118.586 119.600 -0.327 0.000 2.563 24 M HA 0.134 4.969 4.480 0.591 0.000 0.231 24 M C 1.102 177.269 176.300 -0.222 0.000 1.136 24 M CA 0.606 55.708 55.300 -0.329 0.000 1.026 24 M CB 0.163 32.356 32.600 -0.678 0.000 1.597 24 M HN 0.252 nan 8.290 nan 0.000 0.495 25 G N 1.111 109.800 108.800 -0.185 0.000 2.137 25 G HA2 -0.206 4.109 3.960 0.591 0.000 0.237 25 G HA3 -0.206 4.109 3.960 0.591 0.000 0.237 25 G C 0.065 174.909 174.900 -0.093 0.000 1.002 25 G CA -0.066 44.970 45.100 -0.106 0.000 0.702 25 G HN 0.315 nan 8.290 nan 0.000 0.515 26 K N 0.919 121.216 120.400 -0.171 0.000 2.118 26 K HA 0.690 5.365 4.320 0.591 0.000 0.264 26 K C 0.864 177.468 176.600 0.006 0.000 1.000 26 K CA 0.353 56.568 56.287 -0.119 0.000 0.929 26 K CB 1.171 33.382 32.500 -0.481 0.000 1.021 26 K HN 0.563 nan 8.250 nan 0.000 0.463 27 T N -3.840 110.792 114.554 0.131 0.000 2.940 27 T HA 0.393 5.098 4.350 0.591 0.000 0.288 27 T C 0.593 175.422 174.700 0.215 0.000 1.045 27 T CA -0.056 62.125 62.100 0.135 0.000 1.018 27 T CB 0.741 69.671 68.868 0.104 0.000 1.151 27 T HN 0.742 nan 8.240 nan 0.000 0.529 28 N N -0.464 118.333 118.700 0.161 0.000 2.727 28 N HA -0.176 4.919 4.740 0.591 0.000 0.249 28 N C 0.891 176.540 175.510 0.233 0.000 1.048 28 N CA 1.122 54.269 53.050 0.162 0.000 0.714 28 N CB -2.487 36.083 38.487 0.139 0.000 0.959 28 N HN 0.758 nan 8.380 nan 0.000 0.544 29 I N -0.876 119.846 120.570 0.253 0.000 2.113 29 I HA -0.280 4.244 4.170 0.591 0.000 0.238 29 I C 2.532 178.809 176.117 0.267 0.000 1.070 29 I CA 1.506 63.017 61.300 0.352 0.000 1.332 29 I CB -0.116 38.023 38.000 0.232 0.000 1.044 29 I HN 0.543 nan 8.210 nan 0.000 0.402 30 Q N 0.120 120.023 119.800 0.171 0.000 2.124 30 Q HA -0.222 4.472 4.340 0.591 0.000 0.202 30 Q C 2.198 178.265 176.000 0.111 0.000 0.977 30 Q CA 1.414 57.293 55.803 0.127 0.000 0.850 30 Q CB -0.767 28.022 28.738 0.085 0.000 0.901 30 Q HN 0.488 nan 8.270 nan 0.000 0.429 31 Q N 0.870 120.734 119.800 0.106 0.000 2.084 31 Q HA -0.160 4.534 4.340 0.591 0.000 0.202 31 Q C 2.087 178.139 176.000 0.086 0.000 0.978 31 Q CA 1.948 57.801 55.803 0.084 0.000 0.844 31 Q CB -0.118 28.665 28.738 0.074 0.000 0.898 31 Q HN 0.519 nan 8.270 nan 0.000 0.426 32 K N -0.854 119.607 120.400 0.101 0.000 2.097 32 K HA -0.079 4.595 4.320 0.591 0.000 0.205 32 K C 2.021 178.671 176.600 0.083 0.000 1.050 32 K CA 1.419 57.735 56.287 0.049 0.000 0.938 32 K CB -0.197 32.281 32.500 -0.037 0.000 0.718 32 K HN 0.327 nan 8.250 nan 0.000 0.442 33 V N 2.149 122.144 119.914 0.135 0.000 2.295 33 V HA -0.268 4.206 4.120 0.591 0.000 0.246 33 V C 1.894 178.081 176.094 0.154 0.000 1.049 33 V CA 1.899 64.290 62.300 0.152 0.000 1.024 33 V CB -0.618 31.299 31.823 0.156 0.000 0.648 33 V HN 0.401 nan 8.190 nan 0.000 0.447 34 N N 0.316 119.088 118.700 0.120 0.000 2.120 34 N HA -0.119 4.975 4.740 0.591 0.000 0.188 34 N C 2.067 177.666 175.510 0.149 0.000 1.024 34 N CA 1.787 54.904 53.050 0.113 0.000 0.852 34 N CB -0.474 38.052 38.487 0.065 0.000 1.003 34 N HN 0.398 nan 8.380 nan 0.000 0.424 35 S N -0.032 115.738 115.700 0.117 0.000 2.402 35 S HA -0.048 4.776 4.470 0.591 0.000 0.229 35 S C 1.962 176.643 174.600 0.135 0.000 1.021 35 S CA 1.060 59.322 58.200 0.105 0.000 0.974 35 S CB -0.324 62.913 63.200 0.061 0.000 0.800 35 S HN 0.404 nan 8.310 nan 0.000 0.484 36 T N 1.774 116.431 114.554 0.171 0.000 2.674 36 T HA -0.058 4.646 4.350 0.591 0.000 0.265 36 T C 1.417 176.262 174.700 0.241 0.000 1.039 36 T CA 1.212 63.444 62.100 0.221 0.000 1.150 36 T CB -0.459 68.574 68.868 0.275 0.000 0.864 36 T HN 0.404 nan 8.240 nan 0.000 0.427 37 F N 2.370 122.410 119.950 0.149 0.000 2.069 37 F HA -0.161 4.720 4.527 0.590 0.000 0.298 37 F C 2.028 177.940 175.800 0.186 0.000 1.113 37 F CA 1.543 59.641 58.000 0.162 0.000 1.214 37 F CB -0.361 38.640 39.000 0.002 0.000 0.978 37 F HN 0.061 nan 8.300 nan 0.000 0.474 38 D N 0.076 120.659 120.400 0.306 0.000 2.149 38 D HA -0.188 4.807 4.640 0.591 0.000 0.198 38 D C 1.901 178.259 176.300 0.096 0.000 0.990 38 D CA 1.284 55.403 54.000 0.198 0.000 0.839 38 D CB -0.539 40.352 40.800 0.151 0.000 0.948 38 D HN 0.317 nan 8.370 nan 0.000 0.460 39 N N 0.079 118.828 118.700 0.081 0.000 2.171 39 N HA -0.071 5.023 4.740 0.591 0.000 0.184 39 N C 1.805 177.321 175.510 0.010 0.000 1.021 39 N CA 0.388 53.463 53.050 0.042 0.000 0.854 39 N CB -0.316 38.192 38.487 0.034 0.000 0.994 39 N HN 0.252 nan 8.380 nan 0.000 0.426 40 M N -0.855 118.746 119.600 0.003 0.000 2.229 40 M HA -0.023 4.812 4.480 0.591 0.000 0.264 40 M C 0.350 176.478 176.300 -0.286 0.000 1.063 40 M CA 1.471 56.711 55.300 -0.101 0.000 1.114 40 M CB 0.074 32.639 32.600 -0.058 0.000 1.387 40 M HN -0.064 nan 8.290 nan 0.000 0.420 41 F N 0.005 119.753 119.950 -0.337 0.000 2.664 41 F HA 0.371 5.252 4.527 0.590 0.000 0.303 41 F C 1.171 176.922 175.800 -0.081 0.000 1.092 41 F CA -0.317 57.466 58.000 -0.362 0.000 1.305 41 F CB -0.101 38.362 39.000 -0.895 0.000 1.054 41 F HN 0.036 nan 8.300 nan 0.000 0.565 42 G N -1.317 107.528 108.800 0.075 0.000 2.434 42 G HA2 0.277 4.591 3.960 0.591 0.000 0.330 42 G HA3 0.277 4.591 3.960 0.591 0.000 0.330 42 G C -1.127 173.873 174.900 0.165 0.000 1.155 42 G CA -0.294 44.843 45.100 0.061 0.000 0.917 42 G HN 0.002 nan 8.290 nan 0.000 0.493 43 Y N 1.574 121.868 120.300 -0.010 0.000 2.667 43 Y HA 0.116 5.020 4.550 0.590 0.000 0.340 43 Y C 1.168 177.043 175.900 -0.042 0.000 1.303 43 Y CA -1.482 56.581 58.100 -0.061 0.000 1.769 43 Y CB -0.189 38.255 38.460 -0.025 0.000 1.804 43 Y HN 0.734 nan 8.280 nan 0.000 0.451 44 N N -1.360 117.395 118.700 0.091 0.000 2.181 44 N HA 0.036 5.130 4.740 0.591 0.000 0.207 44 N C 0.911 176.442 175.510 0.036 0.000 1.182 44 N CA 0.579 53.661 53.050 0.054 0.000 0.893 44 N CB -0.480 38.031 38.487 0.039 0.000 1.032 44 N HN 0.252 nan 8.380 nan 0.000 0.513 45 N N -0.962 117.755 118.700 0.029 0.000 2.693 45 N HA -0.257 4.838 4.740 0.591 0.000 0.249 45 N C 0.825 176.367 175.510 0.053 0.000 1.119 45 N CA 1.954 55.042 53.050 0.063 0.000 0.717 45 N CB -2.485 36.039 38.487 0.062 0.000 1.071 45 N HN 0.558 nan 8.380 nan 0.000 0.555 46 T N -1.808 112.767 114.554 0.035 0.000 3.447 46 T HA 0.134 4.839 4.350 0.591 0.000 0.218 46 T C 1.691 176.401 174.700 0.017 0.000 0.972 46 T CA 1.065 63.178 62.100 0.021 0.000 1.264 46 T CB -0.091 68.783 68.868 0.009 0.000 1.284 46 T HN 0.479 nan 8.240 nan 0.000 0.361 47 Q N 1.280 121.082 119.800 0.004 0.000 2.398 47 Q HA 0.231 4.926 4.340 0.591 0.000 0.204 47 Q C 0.925 176.929 176.000 0.008 0.000 0.932 47 Q CA 0.090 55.891 55.803 -0.003 0.000 0.916 47 Q CB -0.081 28.645 28.738 -0.021 0.000 1.024 47 Q HN 0.487 nan 8.270 nan 0.000 0.504 48 Q N 0.736 120.535 119.800 -0.003 0.000 2.304 48 Q HA -0.096 4.599 4.340 0.591 0.000 0.315 48 Q C -0.056 175.949 176.000 0.008 0.000 1.075 48 Q CA 0.561 56.326 55.803 -0.064 0.000 0.988 48 Q CB 0.376 29.023 28.738 -0.152 0.000 1.146 48 Q HN 0.391 nan 8.270 nan 0.000 0.383 49 L N 4.145 125.331 121.223 -0.061 0.000 2.878 49 L HA 0.209 4.903 4.340 0.591 0.000 0.253 49 L C -0.246 176.659 176.870 0.058 0.000 1.135 49 L CA -0.314 54.584 54.840 0.098 0.000 0.943 49 L CB 0.505 42.607 42.059 0.073 0.000 1.307 49 L HN 0.655 nan 8.230 nan 0.000 0.545 50 Y N 0.667 120.731 120.300 -0.393 0.000 2.367 50 Y HA 0.437 5.341 4.550 0.590 0.000 0.342 50 Y C -1.107 174.582 175.900 -0.352 0.000 0.979 50 Y CA -0.564 57.341 58.100 -0.325 0.000 1.161 50 Y CB 0.414 38.591 38.460 -0.471 0.000 1.155 50 Y HN -0.107 nan 8.280 nan 0.000 0.503 51 Y N 7.372 127.324 120.300 -0.581 0.000 2.462 51 Y HA 0.439 5.343 4.550 0.590 0.000 0.346 51 Y C -2.325 173.000 175.900 -0.957 0.000 0.976 51 Y CA -2.736 54.916 58.100 -0.748 0.000 1.044 51 Y CB 1.916 39.855 38.460 -0.869 0.000 1.230 51 Y HN 0.520 nan 8.280 nan 0.000 0.455 52 P HA 0.028 nan 4.420 nan 0.000 0.275 52 P C -1.384 175.863 177.300 -0.088 0.000 1.228 52 P CA -0.026 62.672 63.100 -0.670 0.000 0.786 52 P CB 1.125 32.621 31.700 -0.339 0.000 0.927 53 Y N 2.445 122.726 120.300 -0.033 0.000 2.328 53 Y HA 0.475 5.380 4.550 0.591 0.000 0.337 53 Y C -0.300 175.581 175.900 -0.032 0.000 0.966 53 Y CA -0.260 57.900 58.100 0.100 0.000 1.136 53 Y CB 1.124 39.763 38.460 0.298 0.000 1.170 53 Y HN 0.429 nan 8.280 nan 0.000 0.470 54 T N 2.394 116.613 114.554 -0.559 0.000 2.908 54 T HA 0.647 5.351 4.350 0.591 0.000 0.290 54 T C -1.025 173.260 174.700 -0.691 0.000 1.034 54 T CA -0.996 60.812 62.100 -0.487 0.000 1.010 54 T CB 2.027 70.786 68.868 -0.183 0.000 1.068 54 T HN 0.671 nan 8.240 nan 0.000 0.481 55 E N 1.718 121.673 120.200 -0.408 0.000 2.216 55 E HA 0.334 5.038 4.350 0.591 0.000 0.260 55 E C -0.564 176.010 176.600 -0.045 0.000 0.880 55 E CA -1.051 55.228 56.400 -0.201 0.000 0.765 55 E CB 1.050 30.753 29.700 0.005 0.000 1.174 55 E HN 0.728 nan 8.360 nan 0.000 0.417 56 N N 2.276 120.959 118.700 -0.028 0.000 2.727 56 N HA -0.242 4.853 4.740 0.591 0.000 0.249 56 N C 0.687 176.190 175.510 -0.013 0.000 1.048 56 N CA 1.305 54.362 53.050 0.012 0.000 0.714 56 N CB -1.088 37.450 38.487 0.085 0.000 0.959 56 N HN 1.066 nan 8.380 nan 0.000 0.544 57 G N -2.547 106.224 108.800 -0.048 0.000 2.184 57 G HA2 -0.335 3.979 3.960 0.591 0.000 0.264 57 G HA3 -0.335 3.979 3.960 0.591 0.000 0.264 57 G C 0.033 174.937 174.900 0.007 0.000 0.975 57 G CA 0.409 45.496 45.100 -0.021 0.000 0.642 57 G HN 0.480 nan 8.290 nan 0.000 0.536 58 V N 1.237 121.149 119.914 -0.004 0.000 2.370 58 V HA 0.493 4.968 4.120 0.591 0.000 0.279 58 V C 0.385 176.495 176.094 0.028 0.000 1.029 58 V CA -1.148 61.172 62.300 0.035 0.000 0.870 58 V CB 1.167 33.008 31.823 0.029 0.000 0.984 58 V HN 0.370 nan 8.190 nan 0.000 0.451 59 Y N 6.267 126.576 120.300 0.015 0.000 2.620 59 Y HA 0.146 5.050 4.550 0.590 0.000 0.330 59 Y C 1.086 177.041 175.900 0.092 0.000 1.186 59 Y CA 0.544 58.670 58.100 0.044 0.000 1.467 59 Y CB 0.586 39.102 38.460 0.094 0.000 1.262 59 Y HN 0.579 nan 8.280 nan 0.000 0.550 60 K N 4.536 124.418 120.400 -0.864 0.000 2.354 60 K HA 0.559 5.234 4.320 0.591 0.000 0.210 60 K C -0.213 176.042 176.600 -0.575 0.000 1.184 60 K CA 0.713 56.724 56.287 -0.460 0.000 0.880 60 K CB 0.178 32.665 32.500 -0.021 0.000 1.328 60 K HN 0.663 nan 8.250 nan 0.000 0.466 61 A N 0.302 122.851 122.820 -0.452 0.000 2.483 61 A HA 0.627 5.302 4.320 0.591 0.000 0.306 61 A C -1.697 176.176 177.584 0.481 0.000 1.137 61 A CA -0.603 51.586 52.037 0.254 0.000 0.626 61 A CB 0.795 20.137 19.000 0.570 0.000 1.352 61 A HN 0.270 nan 8.150 nan 0.000 0.508 62 H N -1.390 117.930 119.070 0.417 0.000 2.797 62 H HA 0.735 5.646 4.556 0.590 0.000 0.372 62 H C -1.130 174.197 175.328 -0.002 0.000 1.168 62 H CA 0.017 56.145 56.048 0.133 0.000 1.163 62 H CB 1.596 31.294 29.762 -0.107 0.000 1.778 62 H HN 0.757 nan 8.280 nan 0.000 0.551 63 Y N -0.865 119.287 120.300 -0.247 0.000 2.609 63 Y HA 0.574 5.478 4.550 0.590 0.000 0.342 63 Y C -1.434 174.424 175.900 -0.071 0.000 1.058 63 Y CA -1.492 56.352 58.100 -0.427 0.000 1.055 63 Y CB 0.921 38.717 38.460 -1.107 0.000 1.292 63 Y HN 0.294 nan 8.280 nan 0.000 0.476 64 I N 2.769 123.432 120.570 0.155 0.000 2.325 64 I HA 0.258 4.783 4.170 0.591 0.000 0.291 64 I C -0.090 176.181 176.117 0.256 0.000 1.019 64 I CA -0.666 60.755 61.300 0.202 0.000 1.302 64 I CB 1.070 39.241 38.000 0.285 0.000 1.401 64 I HN 0.677 nan 8.210 nan 0.000 0.485 65 K N 5.719 126.244 120.400 0.209 0.000 2.285 65 K HA 0.484 5.158 4.320 0.591 0.000 0.286 65 K C -0.082 176.507 176.600 -0.018 0.000 1.072 65 K CA -0.453 55.901 56.287 0.112 0.000 0.913 65 K CB 0.843 33.265 32.500 -0.130 0.000 1.067 65 K HN 0.717 nan 8.250 nan 0.000 0.479 66 A N 6.958 129.581 122.820 -0.329 0.000 2.990 66 A HA 0.205 4.880 4.320 0.591 0.000 0.282 66 A C 0.158 177.565 177.584 -0.294 0.000 1.688 66 A CA -0.494 51.080 52.037 -0.772 0.000 1.391 66 A CB -0.731 17.562 19.000 -1.178 0.000 1.112 66 A HN 0.829 nan 8.150 nan 0.000 0.588 67 I N 1.982 122.500 120.570 -0.087 0.000 2.752 67 I HA -0.057 4.467 4.170 0.591 0.000 0.289 67 I C 0.508 176.586 176.117 -0.064 0.000 1.197 67 I CA 0.553 61.811 61.300 -0.070 0.000 1.432 67 I CB 0.297 38.287 38.000 -0.017 0.000 1.359 67 I HN 0.585 nan 8.210 nan 0.000 0.571 68 N N 8.714 127.355 118.700 -0.098 0.000 2.629 68 N HA 0.240 5.334 4.740 0.591 0.000 0.277 68 N C -2.109 173.347 175.510 -0.089 0.000 1.188 68 N CA -1.522 51.481 53.050 -0.079 0.000 0.835 68 N CB 1.930 40.373 38.487 -0.073 0.000 1.420 68 N HN 0.145 nan 8.380 nan 0.000 0.542 69 P HA 0.018 nan 4.420 nan 0.000 0.217 69 P C 0.966 178.238 177.300 -0.047 0.000 1.154 69 P CA 1.373 64.412 63.100 -0.101 0.000 0.841 69 P CB 0.201 31.806 31.700 -0.158 0.000 0.788 70 D N 0.286 120.679 120.400 -0.011 0.000 2.084 70 D HA -0.146 4.848 4.640 0.591 0.000 0.194 70 D C 1.878 178.177 176.300 -0.001 0.000 0.990 70 D CA 2.057 56.067 54.000 0.016 0.000 0.826 70 D CB -1.141 39.692 40.800 0.055 0.000 0.971 70 D HN 0.390 nan 8.370 nan 0.000 0.453 71 E N -1.117 119.075 120.200 -0.012 0.000 2.526 71 E HA 0.501 5.206 4.350 0.591 0.000 0.208 71 E C 1.260 177.834 176.600 -0.044 0.000 0.997 71 E CA 0.891 57.278 56.400 -0.022 0.000 0.961 71 E CB -0.088 29.602 29.700 -0.018 0.000 1.030 71 E HN 1.778 nan 8.360 nan 0.000 0.483 72 G N 1.093 109.860 108.800 -0.056 0.000 2.785 72 G HA2 -0.062 4.253 3.960 0.591 0.000 0.686 72 G HA3 -0.062 4.253 3.960 0.591 0.000 0.686 72 G C -0.844 173.992 174.900 -0.106 0.000 1.155 72 G CA -0.407 44.649 45.100 -0.074 0.000 0.760 72 G HN 0.195 nan 8.290 nan 0.000 0.624 73 D N 1.538 121.866 120.400 -0.121 0.000 2.455 73 D HA 0.440 5.434 4.640 0.591 0.000 0.241 73 D C 0.774 176.960 176.300 -0.190 0.000 1.138 73 D CA 1.250 55.157 54.000 -0.154 0.000 0.877 73 D CB 1.192 41.897 40.800 -0.158 0.000 1.187 73 D HN 0.767 nan 8.370 nan 0.000 0.451 74 D N -0.194 120.065 120.400 -0.235 0.000 2.714 74 D HA 0.605 5.600 4.640 0.591 0.000 0.278 74 D C -0.699 175.418 176.300 -0.305 0.000 1.102 74 D CA -0.727 53.098 54.000 -0.292 0.000 1.108 74 D CB 0.704 41.310 40.800 -0.324 0.000 1.444 74 D HN 0.252 nan 8.370 nan 0.000 0.568 75 I N -0.707 119.673 120.570 -0.316 0.000 2.499 75 I HA 0.465 4.989 4.170 0.591 0.000 0.288 75 I C -0.404 175.616 176.117 -0.161 0.000 1.048 75 I CA -0.825 60.336 61.300 -0.231 0.000 1.062 75 I CB 1.861 39.688 38.000 -0.288 0.000 1.238 75 I HN 0.111 nan 8.210 nan 0.000 0.426 76 R N 2.286 122.749 120.500 -0.062 0.000 2.740 76 R HA 0.415 5.109 4.340 0.591 0.000 0.282 76 R C 0.973 177.357 176.300 0.141 0.000 0.969 76 R CA -0.581 55.549 56.100 0.049 0.000 0.918 76 R CB 2.221 32.574 30.300 0.087 0.000 1.175 76 R HN 0.768 nan 8.270 nan 0.000 0.464 77 T N -1.812 112.856 114.554 0.190 0.000 2.821 77 T HA -0.135 4.570 4.350 0.591 0.000 0.267 77 T C 1.364 175.964 174.700 -0.166 0.000 1.046 77 T CA 1.082 63.275 62.100 0.156 0.000 1.139 77 T CB -0.049 68.981 68.868 0.271 0.000 0.871 77 T HN 0.579 nan 8.240 nan 0.000 0.454 78 E N 1.204 121.270 120.200 -0.223 0.000 2.051 78 E HA -0.029 4.675 4.350 0.591 0.000 0.192 78 E C 2.562 178.740 176.600 -0.703 0.000 0.991 78 E CA 0.940 56.962 56.400 -0.630 0.000 0.799 78 E CB -0.622 28.648 29.700 -0.716 0.000 0.748 78 E HN 0.672 nan 8.360 nan 0.000 0.449 79 G N 0.707 109.407 108.800 -0.167 0.000 2.440 79 G HA2 -0.348 3.966 3.960 0.591 0.000 0.218 79 G HA3 -0.348 3.966 3.960 0.591 0.000 0.218 79 G C 1.525 176.548 174.900 0.205 0.000 1.154 79 G CA 1.002 46.224 45.100 0.202 0.000 0.767 79 G HN 0.159 nan 8.290 nan 0.000 0.552 80 Q N 1.249 121.139 119.800 0.151 0.000 2.046 80 Q HA -0.102 4.593 4.340 0.591 0.000 0.200 80 Q C 2.841 178.956 176.000 0.192 0.000 0.975 80 Q CA 2.242 58.196 55.803 0.251 0.000 0.836 80 Q CB -0.312 28.662 28.738 0.393 0.000 0.896 80 Q HN 0.549 nan 8.270 nan 0.000 0.428 81 S N -1.425 114.180 115.700 -0.160 0.000 2.406 81 S HA -0.105 4.719 4.470 0.591 0.000 0.228 81 S C 1.601 176.285 174.600 0.139 0.000 1.020 81 S CA 0.676 58.721 58.200 -0.258 0.000 0.965 81 S CB -0.714 61.978 63.200 -0.847 0.000 0.798 81 S HN 0.482 nan 8.310 nan 0.000 0.488 82 W N 2.491 123.752 121.300 -0.064 0.000 2.358 82 W HA 0.235 5.250 4.660 0.591 0.000 0.303 82 W C 2.767 179.387 176.519 0.168 0.000 1.208 82 W CA 0.265 57.590 57.345 -0.032 0.000 1.274 82 W CB -1.534 27.865 29.460 -0.102 0.000 1.138 82 W HN 0.476 nan 8.180 nan 0.000 0.515 83 G N 0.119 109.199 108.800 0.467 0.000 2.440 83 G HA2 -0.279 4.035 3.960 0.591 0.000 0.218 83 G HA3 -0.279 4.035 3.960 0.591 0.000 0.218 83 G C 1.603 176.798 174.900 0.492 0.000 1.154 83 G CA 1.230 46.647 45.100 0.528 0.000 0.767 83 G HN 0.143 nan 8.290 nan 0.000 0.552 84 M N 0.349 120.146 119.600 0.329 0.000 2.159 84 M HA -0.049 4.785 4.480 0.591 0.000 0.263 84 M C 2.783 179.267 176.300 0.307 0.000 1.063 84 M CA 1.635 57.013 55.300 0.130 0.000 1.110 84 M CB -0.377 32.106 32.600 -0.195 0.000 1.374 84 M HN 0.141 nan 8.290 nan 0.000 0.411 85 T N 0.610 115.374 114.554 0.350 0.000 2.746 85 T HA -0.084 4.620 4.350 0.591 0.000 0.267 85 T C 1.901 176.746 174.700 0.242 0.000 1.039 85 T CA 1.497 63.803 62.100 0.342 0.000 1.142 85 T CB -0.340 68.863 68.868 0.559 0.000 0.866 85 T HN 0.491 nan 8.240 nan 0.000 0.444 86 A N 1.529 124.539 122.820 0.317 0.000 1.902 86 A HA 0.129 4.804 4.320 0.591 0.000 0.217 86 A C 2.653 180.361 177.584 0.206 0.000 1.181 86 A CA 1.887 54.100 52.037 0.295 0.000 0.623 86 A CB -1.150 18.114 19.000 0.440 0.000 0.818 86 A HN 0.504 nan 8.150 nan 0.000 0.443 87 A N -0.848 122.138 122.820 0.277 0.000 1.902 87 A HA -0.037 4.638 4.320 0.591 0.000 0.217 87 A C 2.335 179.986 177.584 0.112 0.000 1.181 87 A CA 1.820 53.944 52.037 0.145 0.000 0.623 87 A CB -1.079 18.110 19.000 0.314 0.000 0.818 87 A HN 0.776 nan 8.150 nan 0.000 0.443 88 V N -0.147 119.870 119.914 0.172 0.000 2.515 88 V HA -0.194 4.281 4.120 0.591 0.000 0.250 88 V C 2.331 178.235 176.094 -0.317 0.000 1.058 88 V CA 2.076 64.261 62.300 -0.193 0.000 1.064 88 V CB -0.486 31.029 31.823 -0.513 0.000 0.675 88 V HN 0.519 nan 8.190 nan 0.000 0.461 89 M N -0.690 118.785 119.600 -0.208 0.000 2.296 89 M HA 0.002 4.836 4.480 0.591 0.000 0.265 89 M C 1.706 177.905 176.300 -0.168 0.000 1.064 89 M CA 1.602 56.786 55.300 -0.194 0.000 1.109 89 M CB -0.817 31.679 32.600 -0.173 0.000 1.396 89 M HN 0.292 nan 8.290 nan 0.000 0.430 90 L N -0.744 120.354 121.223 -0.208 0.000 2.769 90 L HA 0.156 4.851 4.340 0.591 0.000 0.240 90 L C 0.121 176.848 176.870 -0.238 0.000 1.163 90 L CA -0.254 54.429 54.840 -0.260 0.000 0.962 90 L CB -0.249 41.543 42.059 -0.446 0.000 1.258 90 L HN 0.296 nan 8.230 nan 0.000 0.513 91 N N 1.519 120.145 118.700 -0.123 0.000 2.758 91 N HA -0.148 4.946 4.740 0.591 0.000 0.248 91 N C -0.482 175.020 175.510 -0.013 0.000 1.076 91 N CA 0.653 53.744 53.050 0.068 0.000 0.696 91 N CB -0.452 38.035 38.487 -0.000 0.000 0.979 91 N HN 0.095 nan 8.380 nan 0.000 0.550 92 K N 1.028 121.392 120.400 -0.060 0.000 2.356 92 K HA 0.161 4.836 4.320 0.591 0.000 0.243 92 K C 1.029 177.564 176.600 -0.108 0.000 1.072 92 K CA -0.293 55.872 56.287 -0.204 0.000 1.014 92 K CB 1.033 33.237 32.500 -0.493 0.000 1.523 92 K HN 0.468 nan 8.250 nan 0.000 0.455 93 Q N 1.601 121.167 119.800 -0.390 0.000 2.096 93 Q HA -0.091 4.603 4.340 0.591 0.000 0.197 93 Q C 0.991 176.887 176.000 -0.173 0.000 0.964 93 Q CA 1.213 56.567 55.803 -0.749 0.000 0.838 93 Q CB 0.485 28.466 28.738 -1.262 0.000 0.906 93 Q HN 0.371 nan 8.270 nan 0.000 0.444 94 E N 0.614 120.764 120.200 -0.083 0.000 2.077 94 E HA -0.203 4.502 4.350 0.591 0.000 0.193 94 E C 1.847 178.570 176.600 0.204 0.000 0.989 94 E CA 1.243 57.686 56.400 0.071 0.000 0.800 94 E CB 0.078 29.793 29.700 0.025 0.000 0.746 94 E HN 0.387 nan 8.360 nan 0.000 0.452 95 E N 0.403 120.702 120.200 0.165 0.000 2.051 95 E HA -0.158 4.546 4.350 0.591 0.000 0.192 95 E C 1.738 178.596 176.600 0.432 0.000 0.991 95 E CA 0.731 57.276 56.400 0.241 0.000 0.799 95 E CB -0.438 29.251 29.700 -0.018 0.000 0.748 95 E HN 0.175 nan 8.360 nan 0.000 0.449 96 F N 1.825 121.938 119.950 0.272 0.000 2.065 96 F HA -0.270 4.612 4.527 0.591 0.000 0.298 96 F C 1.637 177.724 175.800 0.478 0.000 1.112 96 F CA 1.929 60.158 58.000 0.381 0.000 1.212 96 F CB -0.195 39.052 39.000 0.411 0.000 0.975 96 F HN -0.042 nan 8.300 nan 0.000 0.476 97 D N -0.092 120.789 120.400 0.801 0.000 2.144 97 D HA -0.160 4.834 4.640 0.591 0.000 0.200 97 D C 1.953 178.672 176.300 0.698 0.000 0.978 97 D CA 1.158 55.677 54.000 0.865 0.000 0.833 97 D CB -0.563 40.697 40.800 0.765 0.000 0.961 97 D HN 0.297 nan 8.370 nan 0.000 0.470 98 N N 0.321 119.369 118.700 0.580 0.000 2.188 98 N HA -0.062 5.032 4.740 0.591 0.000 0.184 98 N C 2.045 177.912 175.510 0.594 0.000 1.018 98 N CA 0.402 53.809 53.050 0.594 0.000 0.858 98 N CB -0.312 38.488 38.487 0.522 0.000 0.989 98 N HN 0.254 nan 8.380 nan 0.000 0.426 99 L N -0.621 120.937 121.223 0.558 0.000 2.027 99 L HA -0.101 4.594 4.340 0.591 0.000 0.206 99 L C 2.428 179.579 176.870 0.468 0.000 1.074 99 L CA 0.922 56.066 54.840 0.505 0.000 0.745 99 L CB -0.362 41.968 42.059 0.453 0.000 0.898 99 L HN 0.363 nan 8.230 nan 0.000 0.433 100 W N 1.496 122.862 121.300 0.110 0.000 2.381 100 W HA -0.220 4.794 4.660 0.590 0.000 0.301 100 W C 2.662 179.181 176.519 0.001 0.000 1.205 100 W CA 1.104 58.400 57.345 -0.081 0.000 1.285 100 W CB -0.061 29.212 29.460 -0.312 0.000 1.133 100 W HN 0.125 nan 8.180 nan 0.000 0.521 101 R N -0.029 120.515 120.500 0.074 0.000 2.103 101 R HA -0.267 4.427 4.340 0.591 0.000 0.242 101 R C 2.371 178.672 176.300 0.003 0.000 1.142 101 R CA 2.162 58.339 56.100 0.128 0.000 0.960 101 R CB -1.122 29.436 30.300 0.431 0.000 0.858 101 R HN 0.229 nan 8.270 nan 0.000 0.439 102 F N 0.721 120.728 119.950 0.094 0.000 2.113 102 F HA -0.100 4.782 4.527 0.591 0.000 0.297 102 F C 2.124 177.944 175.800 0.032 0.000 1.103 102 F CA 1.465 59.585 58.000 0.200 0.000 1.248 102 F CB -0.464 38.755 39.000 0.364 0.000 0.999 102 F HN 0.092 nan 8.300 nan 0.000 0.475 103 A N 0.189 123.147 122.820 0.229 0.000 1.858 103 A HA -0.240 4.434 4.320 0.591 0.000 0.216 103 A C 2.313 179.762 177.584 -0.224 0.000 1.190 103 A CA 1.948 54.048 52.037 0.107 0.000 0.617 103 A CB -0.918 18.108 19.000 0.043 0.000 0.827 103 A HN 0.432 nan 8.150 nan 0.000 0.443 104 K N -0.665 119.328 120.400 -0.679 0.000 2.097 104 K HA -0.093 4.581 4.320 0.591 0.000 0.206 104 K C 2.136 178.436 176.600 -0.501 0.000 1.049 104 K CA 1.167 57.053 56.287 -0.667 0.000 0.933 104 K CB -0.246 31.677 32.500 -0.962 0.000 0.717 104 K HN 0.433 nan 8.250 nan 0.000 0.442 105 A N -0.349 122.093 122.820 -0.629 0.000 1.898 105 A HA -0.077 4.597 4.320 0.591 0.000 0.214 105 A C 1.362 178.423 177.584 -0.871 0.000 1.183 105 A CA 1.057 52.575 52.037 -0.865 0.000 0.622 105 A CB -0.281 17.888 19.000 -1.385 0.000 0.824 105 A HN 0.352 nan 8.150 nan 0.000 0.444 106 Y N -1.270 118.762 120.300 -0.447 0.000 2.483 106 Y HA 0.219 5.123 4.550 0.590 0.000 0.258 106 Y C 2.333 178.018 175.900 -0.359 0.000 1.083 106 Y CA 0.366 58.159 58.100 -0.512 0.000 1.283 106 Y CB -0.032 37.831 38.460 -0.994 0.000 1.178 106 Y HN 0.296 nan 8.280 nan 0.000 0.515 107 Q N 0.431 120.144 119.800 -0.145 0.000 2.259 107 Q HA 0.030 4.724 4.340 0.591 0.000 0.201 107 Q C 0.733 176.579 176.000 -0.257 0.000 0.938 107 Q CA 0.155 55.949 55.803 -0.016 0.000 0.872 107 Q CB 0.426 29.355 28.738 0.317 0.000 0.971 107 Q HN 0.085 nan 8.270 nan 0.000 0.494 108 K N 2.313 122.370 120.400 -0.572 0.000 2.436 108 K HA 0.020 4.694 4.320 0.591 0.000 0.282 108 K C -0.882 175.454 176.600 -0.439 0.000 1.044 108 K CA 0.073 55.794 56.287 -0.943 0.000 1.028 108 K CB 0.258 32.257 32.500 -0.834 0.000 0.919 108 K HN 0.128 nan 8.250 nan 0.000 0.474 109 N N 5.224 123.720 118.700 -0.339 0.000 2.518 109 N HA 0.114 5.208 4.740 0.591 0.000 0.266 109 N C -2.501 172.951 175.510 -0.096 0.000 1.196 109 N CA -1.356 51.614 53.050 -0.134 0.000 0.947 109 N CB 0.656 39.083 38.487 -0.100 0.000 1.098 109 N HN 0.388 nan 8.380 nan 0.000 0.450 110 P HA -0.046 nan 4.420 nan 0.000 0.266 110 P C -0.161 177.151 177.300 0.020 0.000 1.193 110 P CA 0.108 63.202 63.100 -0.010 0.000 0.770 110 P CB 0.537 32.241 31.700 0.008 0.000 0.836 111 D N 1.457 121.858 120.400 0.001 0.000 2.309 111 D HA -0.116 4.879 4.640 0.591 0.000 0.212 111 D C 0.938 177.258 176.300 0.034 0.000 0.968 111 D CA 1.186 55.196 54.000 0.016 0.000 0.882 111 D CB -0.279 40.527 40.800 0.009 0.000 0.918 111 D HN 0.493 nan 8.370 nan 0.000 0.503 112 N N -0.041 118.680 118.700 0.034 0.000 2.238 112 N HA -0.119 4.975 4.740 0.591 0.000 0.222 112 N C 0.285 175.823 175.510 0.047 0.000 1.133 112 N CA -0.313 52.755 53.050 0.030 0.000 0.854 112 N CB -0.664 37.825 38.487 0.003 0.000 1.041 112 N HN 0.098 nan 8.380 nan 0.000 0.510 113 H N 2.721 121.783 119.070 -0.012 0.000 3.064 113 H HA 0.017 4.928 4.556 0.591 0.000 0.329 113 H C -1.248 174.084 175.328 0.007 0.000 1.020 113 H CA -0.396 55.650 56.048 -0.004 0.000 1.402 113 H CB 1.282 31.044 29.762 0.000 0.000 1.379 113 H HN 0.056 nan 8.280 nan 0.000 0.594 114 P HA -0.153 nan 4.420 nan 0.000 0.217 114 P C 0.345 177.755 177.300 0.183 0.000 1.148 114 P CA 1.066 64.191 63.100 0.041 0.000 0.828 114 P CB 0.214 31.879 31.700 -0.059 0.000 0.783 115 D N -0.501 120.161 120.400 0.436 0.000 2.339 115 D HA 0.279 5.273 4.640 0.591 0.000 0.241 115 D C 1.183 177.581 176.300 0.163 0.000 1.183 115 D CA -0.255 53.912 54.000 0.278 0.000 0.859 115 D CB 1.021 41.984 40.800 0.273 0.000 1.067 115 D HN -0.095 nan 8.370 nan 0.000 0.484 116 A N 4.821 127.698 122.820 0.095 0.000 2.019 116 A HA -0.170 4.504 4.320 0.591 0.000 0.219 116 A C 1.907 179.489 177.584 -0.003 0.000 1.164 116 A CA 1.176 53.240 52.037 0.044 0.000 0.644 116 A CB -0.192 18.825 19.000 0.027 0.000 0.805 116 A HN 0.617 nan 8.150 nan 0.000 0.449 117 K N -0.616 119.767 120.400 -0.028 0.000 2.365 117 K HA -0.030 4.644 4.320 0.591 0.000 0.199 117 K C 1.484 178.018 176.600 -0.110 0.000 1.045 117 K CA 1.129 57.342 56.287 -0.122 0.000 0.962 117 K CB -0.013 32.308 32.500 -0.299 0.000 0.759 117 K HN 0.384 nan 8.250 nan 0.000 0.469 118 K N 0.529 120.866 120.400 -0.104 0.000 2.367 118 K HA 0.058 4.732 4.320 0.591 0.000 0.194 118 K C -0.081 176.435 176.600 -0.140 0.000 1.027 118 K CA -0.011 56.165 56.287 -0.185 0.000 1.075 118 K CB 0.548 32.735 32.500 -0.522 0.000 0.845 118 K HN 0.121 nan 8.250 nan 0.000 0.529 119 Q N 0.275 120.042 119.800 -0.055 0.000 2.262 119 Q HA 0.062 4.756 4.340 0.591 0.000 0.272 119 Q C 0.785 176.782 176.000 -0.004 0.000 1.076 119 Q CA 0.678 56.482 55.803 0.000 0.000 0.905 119 Q CB 0.615 29.371 28.738 0.031 0.000 1.182 119 Q HN 0.460 nan 8.270 nan 0.000 0.390 120 G N 1.390 110.176 108.800 -0.022 0.000 2.189 120 G HA2 -0.312 4.002 3.960 0.591 0.000 0.267 120 G HA3 -0.312 4.002 3.960 0.591 0.000 0.267 120 G C 0.350 175.263 174.900 0.022 0.000 0.975 120 G CA 0.368 45.459 45.100 -0.015 0.000 0.644 120 G HN 0.699 nan 8.290 nan 0.000 0.537 121 V N -2.746 117.179 119.914 0.018 0.000 3.170 121 V HA 0.781 5.256 4.120 0.591 0.000 0.309 121 V C 0.290 176.405 176.094 0.035 0.000 1.071 121 V CA -1.579 60.809 62.300 0.146 0.000 1.063 121 V CB 1.044 32.935 31.823 0.113 0.000 1.123 121 V HN 0.285 nan 8.190 nan 0.000 0.464 122 Y N 1.541 121.921 120.300 0.135 0.000 2.369 122 Y HA 0.686 5.591 4.550 0.591 0.000 0.337 122 Y C 0.893 176.899 175.900 0.176 0.000 0.961 122 Y CA -0.197 58.005 58.100 0.170 0.000 1.186 122 Y CB 0.814 39.465 38.460 0.318 0.000 1.139 122 Y HN 1.030 nan 8.280 nan 0.000 0.494 123 A N 5.262 128.164 122.820 0.136 0.000 2.563 123 A HA -0.107 4.567 4.320 0.591 0.000 0.256 123 A C 1.218 178.909 177.584 0.179 0.000 1.056 123 A CA -0.062 52.046 52.037 0.118 0.000 0.775 123 A CB -0.206 18.795 19.000 0.002 0.000 0.973 123 A HN 1.100 nan 8.150 nan 0.000 0.516 124 W N 3.031 124.366 121.300 0.057 0.000 2.467 124 W HA 0.103 5.118 4.660 0.591 0.000 0.275 124 W C 0.155 176.679 176.519 0.009 0.000 1.239 124 W CA 0.780 58.152 57.345 0.045 0.000 1.266 124 W CB -0.026 29.442 29.460 0.014 0.000 1.112 124 W HN 0.573 nan 8.180 nan 0.000 0.576 125 K N 1.363 121.327 120.400 -0.727 0.000 2.545 125 K HA 0.379 5.053 4.320 0.591 0.000 0.252 125 K C -1.699 174.569 176.600 -0.553 0.000 0.948 125 K CA -0.587 55.173 56.287 -0.879 0.000 0.827 125 K CB 1.412 32.976 32.500 -1.559 0.000 1.128 125 K HN -0.167 nan 8.250 nan 0.000 0.429 126 L N 2.883 123.844 121.223 -0.438 0.000 2.319 126 L HA 0.602 5.297 4.340 0.591 0.000 0.267 126 L C -0.420 176.124 176.870 -0.543 0.000 1.011 126 L CA -0.486 54.071 54.840 -0.471 0.000 0.818 126 L CB 1.781 43.654 42.059 -0.308 0.000 1.316 126 L HN 0.606 nan 8.230 nan 0.000 0.432 127 K N 0.840 120.802 120.400 -0.729 0.000 2.509 127 K HA 0.639 5.314 4.320 0.591 0.000 0.266 127 K C -1.552 174.804 176.600 -0.408 0.000 0.987 127 K CA -0.872 55.089 56.287 -0.545 0.000 0.868 127 K CB 2.330 34.560 32.500 -0.449 0.000 1.421 127 K HN 0.334 nan 8.250 nan 0.000 0.444 128 L N 2.925 124.035 121.223 -0.188 0.000 2.305 128 L HA 0.229 4.924 4.340 0.591 0.000 0.281 128 L C 0.461 177.432 176.870 0.168 0.000 1.085 128 L CA -0.820 54.008 54.840 -0.020 0.000 0.813 128 L CB 0.416 42.436 42.059 -0.065 0.000 1.157 128 L HN 0.733 nan 8.230 nan 0.000 0.436 129 N N 2.116 120.978 118.700 0.269 0.000 2.322 129 N HA 0.060 5.155 4.740 0.591 0.000 0.270 129 N C 0.813 176.356 175.510 0.055 0.000 1.286 129 N CA 0.205 53.346 53.050 0.151 0.000 0.948 129 N CB 0.201 38.667 38.487 -0.034 0.000 1.164 129 N HN 0.546 nan 8.380 nan 0.000 0.551 130 Q N -1.018 118.787 119.800 0.009 0.000 2.364 130 Q HA -0.068 4.626 4.340 0.591 0.000 0.209 130 Q C 0.845 176.843 176.000 -0.004 0.000 0.977 130 Q CA 1.516 57.316 55.803 -0.005 0.000 0.885 130 Q CB -0.972 27.756 28.738 -0.017 0.000 0.941 130 Q HN 0.676 nan 8.270 nan 0.000 0.464 131 N N -1.070 117.648 118.700 0.029 0.000 2.280 131 N HA 0.257 5.351 4.740 0.591 0.000 0.192 131 N C 1.120 176.527 175.510 -0.172 0.000 1.109 131 N CA 0.903 53.965 53.050 0.019 0.000 0.855 131 N CB 1.208 39.815 38.487 0.201 0.000 0.974 131 N HN 0.670 nan 8.380 nan 0.000 0.482 132 G N 0.242 108.954 108.800 -0.147 0.000 2.175 132 G HA2 -0.245 4.069 3.960 0.591 0.000 0.244 132 G HA3 -0.245 4.069 3.960 0.591 0.000 0.244 132 G C -0.255 174.480 174.900 -0.275 0.000 0.982 132 G CA -0.364 44.586 45.100 -0.250 0.000 0.641 132 G HN 0.219 nan 8.290 nan 0.000 0.527 133 F N -0.010 119.994 119.950 0.090 0.000 2.399 133 F HA 0.661 5.543 4.527 0.591 0.000 0.334 133 F C 0.874 176.722 175.800 0.079 0.000 1.097 133 F CA -0.868 57.208 58.000 0.127 0.000 1.076 133 F CB 1.793 40.832 39.000 0.064 0.000 1.162 133 F HN 0.025 nan 8.300 nan 0.000 0.495 134 V N 4.929 124.915 119.914 0.120 0.000 2.811 134 V HA 0.328 4.802 4.120 0.591 0.000 0.302 134 V C -1.039 175.077 176.094 0.036 0.000 1.063 134 V CA -0.040 62.153 62.300 -0.177 0.000 1.088 134 V CB 0.680 32.051 31.823 -0.752 0.000 0.982 134 V HN 0.703 nan 8.190 nan 0.000 0.485 135 Y N 3.094 123.302 120.300 -0.153 0.000 2.656 135 Y HA 0.638 5.543 4.550 0.591 0.000 0.334 135 Y C -0.973 174.854 175.900 -0.122 0.000 1.179 135 Y CA -1.778 56.258 58.100 -0.107 0.000 1.050 135 Y CB 1.178 39.596 38.460 -0.070 0.000 1.308 135 Y HN 0.489 nan 8.280 nan 0.000 0.456 136 K N 1.871 122.211 120.400 -0.101 0.000 2.248 136 K HA 0.456 5.131 4.320 0.591 0.000 0.281 136 K C 0.050 176.554 176.600 -0.160 0.000 1.054 136 K CA -0.522 55.653 56.287 -0.187 0.000 0.903 136 K CB 2.121 34.586 32.500 -0.059 0.000 1.077 136 K HN 0.646 nan 8.250 nan 0.000 0.474 137 V N 1.023 120.732 119.914 -0.341 0.000 2.379 137 V HA -0.103 4.372 4.120 0.591 0.000 0.243 137 V C 0.470 176.486 176.094 -0.130 0.000 1.035 137 V CA 1.261 63.437 62.300 -0.207 0.000 1.035 137 V CB -0.108 31.515 31.823 -0.333 0.000 0.673 137 V HN 0.787 nan 8.190 nan 0.000 0.457 138 D N -0.874 119.394 120.400 -0.219 0.000 2.549 138 D HA 0.236 5.231 4.640 0.591 0.000 0.251 138 D C 0.603 176.882 176.300 -0.036 0.000 1.153 138 D CA -0.322 53.626 54.000 -0.086 0.000 0.861 138 D CB 1.930 42.707 40.800 -0.039 0.000 1.207 138 D HN 0.230 nan 8.370 nan 0.000 0.543 139 E N 1.623 121.846 120.200 0.037 0.000 2.358 139 E HA 0.107 4.811 4.350 0.591 0.000 0.195 139 E C 1.114 177.780 176.600 0.109 0.000 1.010 139 E CA -0.025 56.404 56.400 0.048 0.000 0.856 139 E CB 0.258 29.981 29.700 0.039 0.000 0.795 139 E HN 0.505 nan 8.360 nan 0.000 0.504 140 G N 3.356 112.274 108.800 0.197 0.000 2.484 140 G HA2 0.081 4.396 3.960 0.591 0.000 0.235 140 G HA3 0.081 4.396 3.960 0.591 0.000 0.235 140 G C -2.332 172.755 174.900 0.311 0.000 1.282 140 G CA -0.832 44.429 45.100 0.269 0.000 0.857 140 G HN -0.024 nan 8.290 nan 0.000 0.571 141 P HA 0.434 nan 4.420 nan 0.000 0.282 141 P C -0.878 176.421 177.300 -0.001 0.000 1.259 141 P CA -0.495 62.705 63.100 0.166 0.000 0.826 141 P CB 1.845 33.619 31.700 0.125 0.000 1.064 142 A N 2.997 125.813 122.820 -0.007 0.000 2.508 142 A HA 0.495 5.169 4.320 0.591 0.000 0.336 142 A C -1.838 175.619 177.584 -0.211 0.000 1.360 142 A CA -1.636 50.266 52.037 -0.226 0.000 0.841 142 A CB 0.183 19.033 19.000 -0.250 0.000 1.136 142 A HN 0.258 nan 8.150 nan 0.000 0.489 143 P HA -0.185 nan 4.420 nan 0.000 0.223 143 P C 1.646 178.832 177.300 -0.190 0.000 1.144 143 P CA 1.703 64.737 63.100 -0.110 0.000 0.783 143 P CB 0.314 32.020 31.700 0.010 0.000 0.771 144 A N -0.207 122.283 122.820 -0.550 0.000 2.019 144 A HA -0.082 4.593 4.320 0.591 0.000 0.219 144 A C 2.413 179.972 177.584 -0.041 0.000 1.164 144 A CA 1.885 53.753 52.037 -0.282 0.000 0.644 144 A CB -1.752 16.995 19.000 -0.422 0.000 0.805 144 A HN 0.285 nan 8.150 nan 0.000 0.449 145 G N -0.194 108.505 108.800 -0.167 0.000 2.480 145 G HA2 -0.242 4.072 3.960 0.591 0.000 0.216 145 G HA3 -0.242 4.072 3.960 0.591 0.000 0.216 145 G C 1.342 176.137 174.900 -0.174 0.000 1.200 145 G CA 1.195 46.146 45.100 -0.250 0.000 0.782 145 G HN 0.535 nan 8.290 nan 0.000 0.554 146 E N 0.642 120.900 120.200 0.096 0.000 2.118 146 E HA -0.085 4.620 4.350 0.591 0.000 0.195 146 E C 2.457 179.185 176.600 0.213 0.000 0.992 146 E CA 1.312 57.858 56.400 0.243 0.000 0.804 146 E CB -0.138 29.700 29.700 0.230 0.000 0.741 146 E HN 0.631 nan 8.360 nan 0.000 0.458 147 E N -0.544 119.792 120.200 0.228 0.000 2.058 147 E HA -0.210 4.494 4.350 0.591 0.000 0.194 147 E C 1.912 178.718 176.600 0.343 0.000 0.997 147 E CA 1.183 57.788 56.400 0.343 0.000 0.801 147 E CB -0.252 29.667 29.700 0.364 0.000 0.746 147 E HN 0.378 nan 8.360 nan 0.000 0.450 148 Y N -0.392 120.062 120.300 0.257 0.000 2.242 148 Y HA -0.191 4.713 4.550 0.590 0.000 0.291 148 Y C 2.069 178.073 175.900 0.173 0.000 1.137 148 Y CA 0.949 59.212 58.100 0.272 0.000 1.181 148 Y CB -0.166 38.450 38.460 0.260 0.000 0.989 148 Y HN 0.017 nan 8.280 nan 0.000 0.527 149 F N -0.570 119.492 119.950 0.188 0.000 2.095 149 F HA -0.266 4.617 4.527 0.593 0.000 0.298 149 F C 2.484 178.194 175.800 -0.150 0.000 1.104 149 F CA 1.098 59.069 58.000 -0.048 0.000 1.232 149 F CB -1.293 37.598 39.000 -0.182 0.000 0.987 149 F HN 0.007 nan 8.300 nan 0.000 0.475 150 A N -0.478 122.385 122.820 0.072 0.000 1.877 150 A HA -0.238 4.437 4.320 0.591 0.000 0.216 150 A C 2.166 179.709 177.584 -0.069 0.000 1.186 150 A CA 1.588 53.529 52.037 -0.159 0.000 0.620 150 A CB -1.466 17.270 19.000 -0.439 0.000 0.822 150 A HN 0.363 nan 8.150 nan 0.000 0.443 151 F N 1.017 120.942 119.950 -0.042 0.000 2.102 151 F HA -0.092 4.791 4.527 0.593 0.000 0.298 151 F C 2.534 178.232 175.800 -0.169 0.000 1.105 151 F CA 1.338 59.249 58.000 -0.148 0.000 1.239 151 F CB -0.556 37.993 39.000 -0.753 0.000 0.991 151 F HN 0.245 nan 8.300 nan 0.000 0.474 152 A N 0.530 123.313 122.820 -0.063 0.000 1.902 152 A HA -0.136 4.539 4.320 0.591 0.000 0.217 152 A C 2.292 179.820 177.584 -0.093 0.000 1.181 152 A CA 1.865 53.870 52.037 -0.053 0.000 0.623 152 A CB -1.212 17.924 19.000 0.226 0.000 0.818 152 A HN 0.505 nan 8.150 nan 0.000 0.443 153 L N -0.745 120.417 121.223 -0.101 0.000 2.056 153 L HA -0.147 4.548 4.340 0.591 0.000 0.207 153 L C 2.547 179.286 176.870 -0.219 0.000 1.078 153 L CA 0.892 55.636 54.840 -0.160 0.000 0.749 153 L CB -0.483 41.396 42.059 -0.300 0.000 0.901 153 L HN 0.362 nan 8.230 nan 0.000 0.433 154 L N -0.356 120.742 121.223 -0.208 0.000 2.046 154 L HA -0.238 4.456 4.340 0.591 0.000 0.208 154 L C 2.125 178.884 176.870 -0.186 0.000 1.077 154 L CA 1.596 56.358 54.840 -0.130 0.000 0.747 154 L CB -0.569 41.453 42.059 -0.061 0.000 0.896 154 L HN 0.342 nan 8.230 nan 0.000 0.432 155 N N -0.285 118.185 118.700 -0.384 0.000 2.188 155 N HA -0.129 4.965 4.740 0.591 0.000 0.184 155 N C 1.875 176.900 175.510 -0.807 0.000 1.018 155 N CA 1.209 53.939 53.050 -0.533 0.000 0.858 155 N CB -0.176 37.863 38.487 -0.748 0.000 0.989 155 N HN 0.306 nan 8.380 nan 0.000 0.426 156 A N 0.086 122.314 122.820 -0.987 0.000 1.902 156 A HA -0.156 4.518 4.320 0.591 0.000 0.217 156 A C 2.248 179.252 177.584 -0.966 0.000 1.181 156 A CA 1.784 52.885 52.037 -1.560 0.000 0.623 156 A CB -1.074 16.700 19.000 -2.043 0.000 0.818 156 A HN 0.300 nan 8.150 nan 0.000 0.443 157 S N -0.150 115.291 115.700 -0.431 0.000 2.365 157 S HA -0.143 4.681 4.470 0.591 0.000 0.225 157 S C 2.161 176.670 174.600 -0.152 0.000 1.039 157 S CA 1.960 60.142 58.200 -0.030 0.000 1.033 157 S CB -0.519 62.776 63.200 0.157 0.000 0.887 157 S HN 0.879 nan 8.310 nan 0.000 0.447 158 A N 1.494 124.161 122.820 -0.255 0.000 1.898 158 A HA 0.015 4.690 4.320 0.591 0.000 0.216 158 A C 2.328 179.735 177.584 -0.294 0.000 1.181 158 A CA 1.185 53.090 52.037 -0.219 0.000 0.620 158 A CB -0.496 18.428 19.000 -0.125 0.000 0.819 158 A HN 0.627 nan 8.150 nan 0.000 0.442 159 R N -1.992 118.159 120.500 -0.582 0.000 2.093 159 R HA -0.072 4.623 4.340 0.591 0.000 0.224 159 R C 1.429 177.537 176.300 -0.319 0.000 1.101 159 R CA 1.261 56.949 56.100 -0.686 0.000 0.979 159 R CB -0.119 29.356 30.300 -1.374 0.000 0.877 159 R HN 0.731 nan 8.270 nan 0.000 0.441 160 W N -0.090 121.073 121.300 -0.228 0.000 2.868 160 W HA 0.381 5.395 4.660 0.590 0.000 0.320 160 W C 0.762 177.282 176.519 0.001 0.000 1.076 160 W CA 0.392 57.665 57.345 -0.120 0.000 1.576 160 W CB -0.300 29.071 29.460 -0.148 0.000 1.030 160 W HN 0.202 nan 8.180 nan 0.000 0.558 161 G N 2.031 110.943 108.800 0.187 0.000 2.796 161 G HA2 -0.277 4.038 3.960 0.591 0.000 0.226 161 G HA3 -0.277 4.038 3.960 0.591 0.000 0.226 161 G C 0.191 175.259 174.900 0.281 0.000 1.381 161 G CA 0.031 45.229 45.100 0.163 0.000 0.867 161 G HN 0.153 nan 8.290 nan 0.000 0.552 162 N N 0.146 118.947 118.700 0.168 0.000 2.299 162 N HA 0.186 5.280 4.740 0.591 0.000 0.246 162 N C 1.485 177.033 175.510 0.062 0.000 1.254 162 N CA 0.675 53.807 53.050 0.137 0.000 0.879 162 N CB 0.912 39.486 38.487 0.144 0.000 1.214 162 N HN 0.845 nan 8.380 nan 0.000 0.510 163 S N -1.707 114.027 115.700 0.057 0.000 2.540 163 S HA 0.253 5.077 4.470 0.591 0.000 0.218 163 S C 1.172 175.772 174.600 0.001 0.000 0.977 163 S CA -0.348 57.867 58.200 0.025 0.000 0.918 163 S CB 0.711 63.927 63.200 0.026 0.000 0.806 163 S HN 0.187 nan 8.310 nan 0.000 0.496 164 G N 1.609 110.406 108.800 -0.005 0.000 2.714 164 G HA2 0.300 4.614 3.960 0.591 0.000 0.197 164 G HA3 0.300 4.614 3.960 0.591 0.000 0.197 164 G C 0.525 175.351 174.900 -0.123 0.000 1.449 164 G CA -0.027 45.050 45.100 -0.040 0.000 1.065 164 G HN 0.320 nan 8.290 nan 0.000 0.575 165 E N -1.222 118.859 120.200 -0.197 0.000 2.097 165 E HA -0.104 4.601 4.350 0.591 0.000 0.196 165 E C -0.205 176.027 176.600 -0.613 0.000 1.000 165 E CA 0.748 56.882 56.400 -0.443 0.000 0.804 165 E CB -0.086 29.249 29.700 -0.608 0.000 0.740 165 E HN 0.178 nan 8.360 nan 0.000 0.454 166 F N 0.408 120.259 119.950 -0.165 0.000 2.495 166 F HA 0.282 5.164 4.527 0.592 0.000 0.327 166 F C 0.306 175.907 175.800 -0.332 0.000 1.103 166 F CA -1.200 56.663 58.000 -0.228 0.000 0.949 166 F CB 1.230 40.058 39.000 -0.287 0.000 1.142 166 F HN -0.194 nan 8.300 nan 0.000 0.457 167 N N 2.926 121.680 118.700 0.091 0.000 2.605 167 N HA -0.009 5.085 4.740 0.591 0.000 0.258 167 N C 0.687 176.295 175.510 0.164 0.000 1.156 167 N CA 0.249 53.360 53.050 0.101 0.000 1.008 167 N CB -0.086 38.485 38.487 0.139 0.000 1.354 167 N HN 0.504 nan 8.380 nan 0.000 0.509 168 Y N 1.637 122.091 120.300 0.257 0.000 2.193 168 Y HA -0.266 4.639 4.550 0.591 0.000 0.285 168 Y C 1.907 177.836 175.900 0.049 0.000 1.166 168 Y CA 1.379 59.550 58.100 0.119 0.000 1.181 168 Y CB -0.692 37.793 38.460 0.043 0.000 0.976 168 Y HN 0.557 nan 8.280 nan 0.000 0.520 169 Y N 0.917 121.314 120.300 0.163 0.000 2.133 169 Y HA -0.266 4.638 4.550 0.591 0.000 0.287 169 Y C 2.475 178.420 175.900 0.075 0.000 1.134 169 Y CA 1.853 60.003 58.100 0.083 0.000 1.133 169 Y CB -0.698 37.808 38.460 0.078 0.000 0.987 169 Y HN 0.178 nan 8.280 nan 0.000 0.502 170 N N 0.056 118.853 118.700 0.161 0.000 2.166 170 N HA -0.196 4.898 4.740 0.591 0.000 0.186 170 N C 1.359 176.888 175.510 0.032 0.000 1.019 170 N CA 1.862 54.963 53.050 0.085 0.000 0.856 170 N CB -0.310 38.268 38.487 0.152 0.000 0.993 170 N HN 0.310 nan 8.380 nan 0.000 0.426 171 D N -0.213 120.241 120.400 0.090 0.000 2.144 171 D HA -0.086 4.908 4.640 0.591 0.000 0.199 171 D C 1.795 178.061 176.300 -0.056 0.000 0.984 171 D CA 1.256 55.325 54.000 0.116 0.000 0.834 171 D CB -0.545 40.404 40.800 0.249 0.000 0.955 171 D HN 0.440 nan 8.370 nan 0.000 0.465 172 A N 0.965 123.678 122.820 -0.180 0.000 1.898 172 A HA -0.136 4.539 4.320 0.591 0.000 0.216 172 A C 2.142 179.542 177.584 -0.305 0.000 1.181 172 A CA 0.813 52.678 52.037 -0.288 0.000 0.620 172 A CB -0.433 18.364 19.000 -0.339 0.000 0.819 172 A HN 0.104 nan 8.150 nan 0.000 0.442 173 I N 0.247 120.613 120.570 -0.340 0.000 2.226 173 I HA -0.168 4.357 4.170 0.591 0.000 0.245 173 I C 2.488 178.542 176.117 -0.104 0.000 1.100 173 I CA 1.929 63.077 61.300 -0.254 0.000 1.374 173 I CB -1.994 35.855 38.000 -0.251 0.000 1.057 173 I HN 0.233 nan 8.210 nan 0.000 0.413 174 T N 0.866 115.391 114.554 -0.048 0.000 2.720 174 T HA -0.235 4.470 4.350 0.591 0.000 0.268 174 T C 1.885 176.608 174.700 0.039 0.000 1.037 174 T CA 1.649 63.762 62.100 0.023 0.000 1.144 174 T CB -0.236 68.676 68.868 0.074 0.000 0.864 174 T HN 0.165 nan 8.240 nan 0.000 0.444 175 M N 0.850 120.452 119.600 0.004 0.000 2.086 175 M HA 0.064 4.898 4.480 0.591 0.000 0.261 175 M C 1.885 178.178 176.300 -0.012 0.000 1.067 175 M CA 1.470 56.775 55.300 0.009 0.000 1.116 175 M CB -0.659 31.893 32.600 -0.080 0.000 1.348 175 M HN 0.178 nan 8.290 nan 0.000 0.407 176 L N -0.452 120.705 121.223 -0.111 0.000 2.042 176 L HA -0.276 4.418 4.340 0.591 0.000 0.210 176 L C 1.976 178.950 176.870 0.173 0.000 1.076 176 L CA 1.871 56.687 54.840 -0.039 0.000 0.749 176 L CB -1.035 40.919 42.059 -0.174 0.000 0.893 176 L HN 0.457 nan 8.230 nan 0.000 0.432 177 N N -1.159 117.589 118.700 0.080 0.000 2.166 177 N HA -0.156 4.938 4.740 0.591 0.000 0.186 177 N C 1.669 177.212 175.510 0.055 0.000 1.019 177 N CA 1.539 54.619 53.050 0.050 0.000 0.856 177 N CB -0.065 38.433 38.487 0.018 0.000 0.993 177 N HN 0.238 nan 8.380 nan 0.000 0.426 178 T N 1.192 115.796 114.554 0.083 0.000 2.746 178 T HA -0.056 4.648 4.350 0.591 0.000 0.267 178 T C 1.928 176.699 174.700 0.119 0.000 1.039 178 T CA 0.799 62.960 62.100 0.101 0.000 1.142 178 T CB -0.181 68.777 68.868 0.149 0.000 0.866 178 T HN 0.174 nan 8.240 nan 0.000 0.444 179 I N 0.866 121.538 120.570 0.170 0.000 2.142 179 I HA -0.196 4.328 4.170 0.591 0.000 0.240 179 I C 2.598 178.825 176.117 0.184 0.000 1.078 179 I CA 1.413 62.850 61.300 0.228 0.000 1.343 179 I CB -0.323 37.898 38.000 0.368 0.000 1.046 179 I HN 0.188 nan 8.210 nan 0.000 0.405 180 K N 0.931 121.417 120.400 0.144 0.000 2.032 180 K HA -0.206 4.469 4.320 0.591 0.000 0.209 180 K C 1.808 178.369 176.600 -0.064 0.000 1.048 180 K CA 1.866 58.114 56.287 -0.066 0.000 0.927 180 K CB -0.026 32.247 32.500 -0.378 0.000 0.712 180 K HN 0.263 nan 8.250 nan 0.000 0.441 181 N N 0.024 118.701 118.700 -0.040 0.000 2.376 181 N HA -0.035 5.059 4.740 0.591 0.000 0.177 181 N C 1.007 176.505 175.510 -0.019 0.000 1.024 181 N CA 0.802 53.828 53.050 -0.040 0.000 0.893 181 N CB 0.364 38.831 38.487 -0.033 0.000 0.980 181 N HN 0.181 nan 8.380 nan 0.000 0.439 182 K N -0.166 120.237 120.400 0.005 0.000 2.435 182 K HA 0.333 5.007 4.320 0.591 0.000 0.199 182 K C 0.942 177.537 176.600 -0.008 0.000 1.153 182 K CA 0.191 56.472 56.287 -0.010 0.000 0.974 182 K CB 1.085 33.588 32.500 0.006 0.000 0.997 182 K HN 0.099 nan 8.250 nan 0.000 0.547 183 L N 0.575 121.821 121.223 0.038 0.000 3.122 183 L HA 0.367 5.061 4.340 0.591 0.000 0.274 183 L C -0.138 176.776 176.870 0.072 0.000 1.222 183 L CA -0.101 54.773 54.840 0.056 0.000 1.028 183 L CB 0.342 42.462 42.059 0.102 0.000 1.386 183 L HN -0.081 nan 8.230 nan 0.000 0.578 184 M N 0.573 120.204 119.600 0.052 0.000 2.591 184 M HA 0.420 5.254 4.480 0.591 0.000 0.306 184 M C -0.928 175.384 176.300 0.020 0.000 1.190 184 M CA -0.100 55.229 55.300 0.048 0.000 0.889 184 M CB 2.809 35.450 32.600 0.070 0.000 1.728 184 M HN -0.033 nan 8.290 nan 0.000 0.458 185 E N 1.942 122.149 120.200 0.013 0.000 2.241 185 E HA 0.316 5.020 4.350 0.591 0.000 0.263 185 E C -0.743 175.851 176.600 -0.009 0.000 0.882 185 E CA -0.260 56.140 56.400 0.000 0.000 0.769 185 E CB 0.809 30.509 29.700 -0.001 0.000 1.185 185 E HN 0.716 nan 8.360 nan 0.000 0.415 186 N N 4.116 122.807 118.700 -0.015 0.000 2.721 186 N HA -0.249 4.845 4.740 0.591 0.000 0.249 186 N C -0.590 174.882 175.510 -0.064 0.000 1.072 186 N CA 1.561 54.592 53.050 -0.031 0.000 0.710 186 N CB -1.165 37.305 38.487 -0.029 0.000 0.993 186 N HN 0.837 nan 8.380 nan 0.000 0.547 187 Q N -2.776 116.976 119.800 -0.079 0.000 2.481 187 Q HA -0.196 4.499 4.340 0.591 0.000 0.258 187 Q C -0.538 175.368 176.000 -0.156 0.000 0.961 187 Q CA 1.083 56.770 55.803 -0.193 0.000 1.121 187 Q CB -1.125 27.410 28.738 -0.338 0.000 1.503 187 Q HN 0.663 nan 8.270 nan 0.000 0.544 188 I N 0.592 121.126 120.570 -0.061 0.000 2.433 188 I HA 0.318 4.843 4.170 0.591 0.000 0.292 188 I C 0.278 176.401 176.117 0.010 0.000 1.001 188 I CA -1.278 60.024 61.300 0.003 0.000 1.119 188 I CB 1.320 39.362 38.000 0.070 0.000 1.289 188 I HN 0.037 nan 8.210 nan 0.000 0.438 189 I N 6.877 127.425 120.570 -0.036 0.000 2.752 189 I HA -0.001 4.524 4.170 0.591 0.000 0.289 189 I C 0.566 176.752 176.117 0.116 0.000 1.197 189 I CA 0.571 61.895 61.300 0.040 0.000 1.432 189 I CB 0.074 38.095 38.000 0.035 0.000 1.359 189 I HN 0.493 nan 8.210 nan 0.000 0.571 190 R N 5.853 126.431 120.500 0.130 0.000 2.490 190 R HA 0.115 4.809 4.340 0.591 0.000 0.278 190 R C 0.644 177.080 176.300 0.227 0.000 1.069 190 R CA -0.228 55.950 56.100 0.131 0.000 1.080 190 R CB 0.450 30.788 30.300 0.064 0.000 1.030 190 R HN 0.724 nan 8.270 nan 0.000 0.491 191 F N 0.505 120.481 119.950 0.044 0.000 2.146 191 F HA -0.015 4.866 4.527 0.590 0.000 0.298 191 F C 0.614 176.443 175.800 0.047 0.000 1.096 191 F CA 1.061 59.088 58.000 0.045 0.000 1.275 191 F CB 0.408 39.323 39.000 -0.142 0.000 1.008 191 F HN 0.367 nan 8.300 nan 0.000 0.480 192 S N -1.508 114.187 115.700 -0.008 0.000 2.533 192 S HA 0.351 5.175 4.470 0.591 0.000 0.271 192 S C -2.190 172.366 174.600 -0.074 0.000 1.143 192 S CA -1.143 57.002 58.200 -0.091 0.000 0.891 192 S CB 1.478 64.645 63.200 -0.055 0.000 1.105 192 S HN -0.190 nan 8.310 nan 0.000 0.468 193 P HA -0.038 nan 4.420 nan 0.000 0.219 193 P C 0.161 177.198 177.300 -0.437 0.000 1.146 193 P CA 1.251 64.130 63.100 -0.367 0.000 0.808 193 P CB -0.083 31.250 31.700 -0.613 0.000 0.779 194 Y N -1.541 118.739 120.300 -0.033 0.000 2.466 194 Y HA 0.273 5.177 4.550 0.590 0.000 0.272 194 Y C 1.045 176.922 175.900 -0.039 0.000 1.169 194 Y CA -0.065 58.017 58.100 -0.029 0.000 1.285 194 Y CB -0.157 38.286 38.460 -0.029 0.000 1.078 194 Y HN -0.111 nan 8.280 nan 0.000 0.523 195 I N -0.185 120.410 120.570 0.041 0.000 2.569 195 I HA 0.257 4.781 4.170 0.591 0.000 0.290 195 I C -1.075 175.044 176.117 0.003 0.000 1.088 195 I CA -0.955 60.352 61.300 0.012 0.000 1.047 195 I CB 2.051 40.018 38.000 -0.055 0.000 1.237 195 I HN -0.192 nan 8.210 nan 0.000 0.421 196 D N 3.454 123.857 120.400 0.004 0.000 2.387 196 D HA 0.217 5.212 4.640 0.591 0.000 0.255 196 D C 0.389 176.685 176.300 -0.006 0.000 1.081 196 D CA -0.104 53.895 54.000 -0.002 0.000 0.994 196 D CB 0.748 41.547 40.800 -0.001 0.000 1.127 196 D HN 0.562 nan 8.370 nan 0.000 0.513 197 N N -0.279 118.415 118.700 -0.009 0.000 2.716 197 N HA -0.219 4.875 4.740 0.591 0.000 0.250 197 N C -1.590 173.900 175.510 -0.032 0.000 1.033 197 N CA 0.302 53.341 53.050 -0.019 0.000 0.727 197 N CB -0.960 37.516 38.487 -0.019 0.000 0.950 197 N HN 0.308 nan 8.380 nan 0.000 0.541 198 L N -0.108 121.100 121.223 -0.025 0.000 2.470 198 L HA 0.713 5.407 4.340 0.591 0.000 0.268 198 L C -0.185 176.678 176.870 -0.012 0.000 0.964 198 L CA -0.183 54.626 54.840 -0.051 0.000 0.839 198 L CB 1.929 43.949 42.059 -0.065 0.000 1.276 198 L HN 0.146 nan 8.230 nan 0.000 0.403 199 T N 1.838 116.356 114.554 -0.060 0.000 2.864 199 T HA 0.513 5.217 4.350 0.591 0.000 0.289 199 T C -2.016 172.579 174.700 -0.174 0.000 1.082 199 T CA -0.441 61.649 62.100 -0.017 0.000 1.009 199 T CB 1.445 70.379 68.868 0.109 0.000 1.234 199 T HN 0.658 nan 8.240 nan 0.000 0.526 200 D N 1.102 121.372 120.400 -0.217 0.000 2.469 200 D HA 0.390 5.384 4.640 0.591 0.000 0.251 200 D C -1.971 174.225 176.300 -0.174 0.000 1.173 200 D CA -2.071 51.683 54.000 -0.409 0.000 0.882 200 D CB 2.179 42.404 40.800 -0.958 0.000 1.129 200 D HN 0.104 nan 8.370 nan 0.000 0.549 201 P HA -0.186 nan 4.420 nan 0.000 0.217 201 P C 1.423 178.811 177.300 0.148 0.000 1.151 201 P CA 1.361 64.379 63.100 -0.137 0.000 0.849 201 P CB 0.201 31.617 31.700 -0.473 0.000 0.787 202 S N -2.527 113.278 115.700 0.175 0.000 2.500 202 S HA -0.172 4.652 4.470 0.591 0.000 0.239 202 S C 1.521 176.436 174.600 0.526 0.000 0.989 202 S CA 0.841 59.247 58.200 0.342 0.000 0.951 202 S CB -1.303 62.121 63.200 0.373 0.000 0.759 202 S HN 0.083 nan 8.310 nan 0.000 0.523 203 Y N 1.260 121.723 120.300 0.272 0.000 2.546 203 Y HA 0.277 5.181 4.550 0.590 0.000 0.287 203 Y C 1.093 177.079 175.900 0.143 0.000 1.158 203 Y CA -0.872 57.356 58.100 0.213 0.000 1.307 203 Y CB -0.830 37.724 38.460 0.156 0.000 1.036 203 Y HN 0.433 nan 8.280 nan 0.000 0.532 204 H N 0.743 119.999 119.070 0.310 0.000 2.723 204 H HA 0.336 5.246 4.556 0.590 0.000 0.294 204 H C -0.509 174.875 175.328 0.093 0.000 1.079 204 H CA 0.001 56.209 56.048 0.267 0.000 1.411 204 H CB 0.807 30.697 29.762 0.212 0.000 1.439 204 H HN 0.017 nan 8.280 nan 0.000 0.474 205 I N 6.295 126.821 120.570 -0.073 0.000 2.698 205 I HA 0.159 4.684 4.170 0.591 0.000 0.276 205 I C -1.950 173.808 176.117 -0.599 0.000 1.166 205 I CA -1.626 59.401 61.300 -0.456 0.000 1.101 205 I CB 1.816 39.168 38.000 -1.080 0.000 1.305 205 I HN 0.294 nan 8.210 nan 0.000 0.526 206 P HA -0.251 nan 4.420 nan 0.000 0.216 206 P C 1.682 178.965 177.300 -0.028 0.000 1.153 206 P CA 1.484 64.633 63.100 0.082 0.000 0.858 206 P CB 0.330 32.203 31.700 0.289 0.000 0.789 207 A N -1.542 121.273 122.820 -0.009 0.000 1.972 207 A HA -0.198 4.477 4.320 0.591 0.000 0.219 207 A C 1.910 179.592 177.584 0.164 0.000 1.169 207 A CA 1.316 53.461 52.037 0.180 0.000 0.635 207 A CB -1.646 17.499 19.000 0.242 0.000 0.810 207 A HN 0.043 nan 8.150 nan 0.000 0.446 208 F N -0.808 118.833 119.950 -0.516 0.000 2.134 208 F HA -0.129 4.753 4.527 0.593 0.000 0.299 208 F C 2.185 177.279 175.800 -1.177 0.000 1.097 208 F CA 0.635 58.051 58.000 -0.974 0.000 1.264 208 F CB -1.415 36.852 39.000 -1.222 0.000 1.001 208 F HN 0.382 nan 8.300 nan 0.000 0.479 209 Y N -0.087 120.020 120.300 -0.323 0.000 2.293 209 Y HA -0.156 4.748 4.550 0.591 0.000 0.291 209 Y C 2.286 178.248 175.900 0.103 0.000 1.137 209 Y CA 0.529 58.553 58.100 -0.127 0.000 1.202 209 Y CB -1.341 37.289 38.460 0.283 0.000 0.990 209 Y HN 0.058 nan 8.280 nan 0.000 0.537 210 D N -0.845 119.721 120.400 0.277 0.000 2.117 210 D HA -0.223 4.772 4.640 0.591 0.000 0.197 210 D C 1.990 178.522 176.300 0.386 0.000 0.987 210 D CA 1.388 55.605 54.000 0.363 0.000 0.829 210 D CB -0.595 40.458 40.800 0.421 0.000 0.961 210 D HN 0.406 nan 8.370 nan 0.000 0.460 211 Y N 1.098 121.462 120.300 0.105 0.000 2.181 211 Y HA -0.265 4.640 4.550 0.592 0.000 0.288 211 Y C 2.064 178.031 175.900 0.113 0.000 1.146 211 Y CA 1.409 59.500 58.100 -0.016 0.000 1.164 211 Y CB -0.439 37.635 38.460 -0.643 0.000 0.982 211 Y HN -0.182 nan 8.280 nan 0.000 0.515 212 F N 0.236 120.118 119.950 -0.114 0.000 2.126 212 F HA -0.176 4.706 4.527 0.591 0.000 0.299 212 F C 2.715 178.432 175.800 -0.139 0.000 1.096 212 F CA 0.845 58.640 58.000 -0.342 0.000 1.255 212 F CB -1.746 36.797 39.000 -0.762 0.000 0.997 212 F HN 0.176 nan 8.300 nan 0.000 0.479 213 A N 0.459 123.462 122.820 0.305 0.000 1.917 213 A HA -0.227 4.447 4.320 0.591 0.000 0.219 213 A C 2.008 179.721 177.584 0.215 0.000 1.182 213 A CA 2.036 54.281 52.037 0.347 0.000 0.633 213 A CB -0.857 18.367 19.000 0.372 0.000 0.819 213 A HN 0.365 nan 8.150 nan 0.000 0.448 214 N N 0.177 118.990 118.700 0.188 0.000 2.515 214 N HA -0.025 5.070 4.740 0.591 0.000 0.185 214 N C 0.619 176.217 175.510 0.147 0.000 1.109 214 N CA 0.596 53.745 53.050 0.166 0.000 0.903 214 N CB -0.221 38.411 38.487 0.243 0.000 0.969 214 N HN 0.553 nan 8.380 nan 0.000 0.450 215 N N 0.225 118.974 118.700 0.081 0.000 2.177 215 N HA 0.057 5.151 4.740 0.591 0.000 0.218 215 N C -0.048 175.603 175.510 0.235 0.000 1.182 215 N CA 0.020 53.195 53.050 0.209 0.000 0.882 215 N CB 1.735 40.187 38.487 -0.058 0.000 1.052 215 N HN 0.031 nan 8.380 nan 0.000 0.519 216 V N -0.924 119.035 119.914 0.076 0.000 2.966 216 V HA 0.593 5.068 4.120 0.591 0.000 0.317 216 V C 1.034 177.053 176.094 -0.126 0.000 1.070 216 V CA -0.496 61.837 62.300 0.055 0.000 1.008 216 V CB 1.420 33.325 31.823 0.136 0.000 1.070 216 V HN 0.118 nan 8.190 nan 0.000 0.457 217 T N -1.338 113.149 114.554 -0.110 0.000 3.288 217 T HA 0.341 5.045 4.350 0.591 0.000 0.293 217 T C 0.015 174.668 174.700 -0.078 0.000 1.008 217 T CA 0.105 62.077 62.100 -0.214 0.000 0.929 217 T CB -1.288 67.421 68.868 -0.265 0.000 1.152 217 T HN 1.078 nan 8.240 nan 0.000 0.517 218 N N -0.608 118.081 118.700 -0.018 0.000 2.265 218 N HA 0.318 5.413 4.740 0.591 0.000 0.300 218 N C 0.821 176.346 175.510 0.026 0.000 1.148 218 N CA -1.075 51.977 53.050 0.003 0.000 0.772 218 N CB 1.822 40.318 38.487 0.014 0.000 1.434 218 N HN -0.009 nan 8.380 nan 0.000 0.481 219 Q N 1.374 121.188 119.800 0.022 0.000 2.079 219 Q HA -0.152 4.542 4.340 0.591 0.000 0.200 219 Q C 1.637 177.671 176.000 0.056 0.000 0.974 219 Q CA 1.860 57.684 55.803 0.035 0.000 0.840 219 Q CB -0.325 28.428 28.738 0.025 0.000 0.898 219 Q HN 0.826 nan 8.270 nan 0.000 0.430 220 A N 1.074 123.920 122.820 0.045 0.000 1.908 220 A HA -0.219 4.455 4.320 0.591 0.000 0.218 220 A C 1.739 179.373 177.584 0.082 0.000 1.181 220 A CA 1.836 53.903 52.037 0.049 0.000 0.627 220 A CB -0.591 18.422 19.000 0.021 0.000 0.818 220 A HN 0.474 nan 8.150 nan 0.000 0.445 221 D N -0.474 119.979 120.400 0.088 0.000 2.149 221 D HA -0.080 4.915 4.640 0.591 0.000 0.201 221 D C 1.914 178.392 176.300 0.297 0.000 0.972 221 D CA 0.952 55.045 54.000 0.154 0.000 0.835 221 D CB -0.195 40.704 40.800 0.165 0.000 0.966 221 D HN 0.435 nan 8.370 nan 0.000 0.476 222 K N 0.583 121.120 120.400 0.227 0.000 2.032 222 K HA -0.139 4.535 4.320 0.591 0.000 0.209 222 K C 1.828 178.572 176.600 0.239 0.000 1.048 222 K CA 1.087 57.521 56.287 0.245 0.000 0.927 222 K CB -0.174 32.412 32.500 0.144 0.000 0.712 222 K HN 0.072 nan 8.250 nan 0.000 0.441 223 N N -0.097 118.701 118.700 0.164 0.000 2.188 223 N HA -0.165 4.929 4.740 0.591 0.000 0.184 223 N C 1.607 177.175 175.510 0.097 0.000 1.018 223 N CA 0.830 53.951 53.050 0.118 0.000 0.858 223 N CB -0.203 38.331 38.487 0.079 0.000 0.989 223 N HN 0.217 nan 8.380 nan 0.000 0.426 224 Y N -0.269 120.010 120.300 -0.034 0.000 2.097 224 Y HA -0.251 4.654 4.550 0.591 0.000 0.282 224 Y C 1.522 177.308 175.900 -0.189 0.000 1.152 224 Y CA 1.671 59.657 58.100 -0.190 0.000 1.136 224 Y CB -0.403 37.841 38.460 -0.361 0.000 0.975 224 Y HN 0.145 nan 8.280 nan 0.000 0.498 225 W N -0.301 121.130 121.300 0.219 0.000 2.436 225 W HA -0.076 4.938 4.660 0.590 0.000 0.284 225 W C 2.800 179.397 176.519 0.129 0.000 1.225 225 W CA 1.711 59.179 57.345 0.204 0.000 1.271 225 W CB -0.540 29.156 29.460 0.393 0.000 1.114 225 W HN -0.036 nan 8.180 nan 0.000 0.559 226 R N 0.717 121.401 120.500 0.307 0.000 2.081 226 R HA -0.194 4.500 4.340 0.591 0.000 0.235 226 R C 1.602 177.966 176.300 0.108 0.000 1.131 226 R CA 2.045 58.274 56.100 0.215 0.000 0.960 226 R CB -1.341 29.060 30.300 0.168 0.000 0.856 226 R HN 0.421 nan 8.270 nan 0.000 0.436 227 Q N -0.051 119.743 119.800 -0.010 0.000 2.079 227 Q HA -0.045 4.649 4.340 0.591 0.000 0.200 227 Q C 2.361 178.278 176.000 -0.138 0.000 0.974 227 Q CA 1.593 57.340 55.803 -0.095 0.000 0.840 227 Q CB -0.133 28.495 28.738 -0.183 0.000 0.898 227 Q HN 0.422 nan 8.270 nan 0.000 0.430 228 V N 0.914 120.684 119.914 -0.241 0.000 2.332 228 V HA -0.313 4.161 4.120 0.591 0.000 0.248 228 V C 2.224 178.297 176.094 -0.036 0.000 1.055 228 V CA 1.837 63.974 62.300 -0.271 0.000 1.038 228 V CB -1.046 30.539 31.823 -0.397 0.000 0.651 228 V HN 0.433 nan 8.190 nan 0.000 0.450 229 A N -0.205 122.738 122.820 0.205 0.000 1.877 229 A HA -0.233 4.442 4.320 0.591 0.000 0.216 229 A C 2.416 180.139 177.584 0.233 0.000 1.186 229 A CA 2.584 54.848 52.037 0.380 0.000 0.620 229 A CB -1.042 18.184 19.000 0.376 0.000 0.822 229 A HN 0.500 nan 8.150 nan 0.000 0.443 230 T N -0.036 114.598 114.554 0.134 0.000 2.708 230 T HA -0.131 4.574 4.350 0.591 0.000 0.266 230 T C 1.917 176.637 174.700 0.032 0.000 1.037 230 T CA 1.777 63.924 62.100 0.079 0.000 1.146 230 T CB -0.209 68.686 68.868 0.045 0.000 0.865 230 T HN 0.531 nan 8.240 nan 0.000 0.435 231 K N 0.827 121.232 120.400 0.008 0.000 2.211 231 K HA 0.003 4.678 4.320 0.591 0.000 0.203 231 K C 2.700 179.314 176.600 0.023 0.000 1.050 231 K CA 0.977 57.253 56.287 -0.018 0.000 0.945 231 K CB -0.149 32.319 32.500 -0.054 0.000 0.732 231 K HN 0.166 nan 8.250 nan 0.000 0.451 232 S N 0.683 116.456 115.700 0.122 0.000 2.371 232 S HA -0.051 4.773 4.470 0.591 0.000 0.224 232 S C 1.872 176.528 174.600 0.094 0.000 1.029 232 S CA 0.768 59.136 58.200 0.281 0.000 0.978 232 S CB 0.063 63.604 63.200 0.569 0.000 0.833 232 S HN 0.212 nan 8.310 nan 0.000 0.466 233 R N 0.124 120.659 120.500 0.057 0.000 2.096 233 R HA -0.045 4.650 4.340 0.591 0.000 0.235 233 R C 2.367 178.410 176.300 -0.429 0.000 1.127 233 R CA 1.803 57.810 56.100 -0.156 0.000 0.968 233 R CB -0.929 29.377 30.300 0.010 0.000 0.861 233 R HN 0.398 nan 8.270 nan 0.000 0.440 234 T N 2.236 116.642 114.554 -0.247 0.000 2.777 234 T HA -0.084 4.620 4.350 0.591 0.000 0.266 234 T C 1.711 176.256 174.700 -0.257 0.000 1.040 234 T CA 0.775 62.722 62.100 -0.255 0.000 1.141 234 T CB -0.161 68.621 68.868 -0.145 0.000 0.868 234 T HN 0.110 nan 8.240 nan 0.000 0.444 235 L N 1.032 122.122 121.223 -0.221 0.000 2.017 235 L HA -0.022 4.672 4.340 0.591 0.000 0.208 235 L C 2.181 178.878 176.870 -0.288 0.000 1.073 235 L CA 1.824 56.512 54.840 -0.254 0.000 0.745 235 L CB -1.044 40.819 42.059 -0.326 0.000 0.894 235 L HN 0.329 nan 8.230 nan 0.000 0.432 236 L N -0.216 120.813 121.223 -0.325 0.000 2.056 236 L HA -0.228 4.467 4.340 0.591 0.000 0.207 236 L C 2.744 179.510 176.870 -0.173 0.000 1.078 236 L CA 1.184 55.909 54.840 -0.192 0.000 0.749 236 L CB -0.438 41.590 42.059 -0.052 0.000 0.901 236 L HN 0.256 nan 8.230 nan 0.000 0.433 237 K N -0.064 119.990 120.400 -0.577 0.000 2.032 237 K HA -0.171 4.503 4.320 0.591 0.000 0.209 237 K C 1.948 178.459 176.600 -0.148 0.000 1.048 237 K CA 1.555 57.562 56.287 -0.467 0.000 0.927 237 K CB -0.191 31.913 32.500 -0.660 0.000 0.712 237 K HN 0.271 nan 8.250 nan 0.000 0.441 238 N N 0.395 118.995 118.700 -0.167 0.000 2.120 238 N HA -0.179 4.916 4.740 0.591 0.000 0.188 238 N C 1.740 177.203 175.510 -0.078 0.000 1.024 238 N CA 1.299 54.286 53.050 -0.106 0.000 0.852 238 N CB -0.553 37.866 38.487 -0.113 0.000 1.003 238 N HN 0.301 nan 8.380 nan 0.000 0.424 239 H N -0.266 118.683 119.070 -0.202 0.000 2.321 239 H HA -0.021 4.889 4.556 0.589 0.000 0.300 239 H C 1.603 176.758 175.328 -0.288 0.000 1.087 239 H CA 1.624 57.501 56.048 -0.285 0.000 1.319 239 H CB -0.374 29.151 29.762 -0.394 0.000 1.379 239 H HN 0.111 nan 8.280 nan 0.000 0.501 240 F N -0.202 119.699 119.950 -0.082 0.000 2.234 240 F HA -0.143 4.734 4.527 0.583 0.000 0.299 240 F C 2.676 178.410 175.800 -0.110 0.000 1.087 240 F CA 1.557 59.507 58.000 -0.084 0.000 1.340 240 F CB -0.647 38.387 39.000 0.057 0.000 1.031 240 F HN 0.154 nan 8.300 nan 0.000 0.500 241 T N -0.213 114.371 114.554 0.051 0.000 2.746 241 T HA -0.186 4.519 4.350 0.591 0.000 0.267 241 T C 1.968 176.621 174.700 -0.078 0.000 1.039 241 T CA 1.366 63.459 62.100 -0.011 0.000 1.142 241 T CB -0.179 68.673 68.868 -0.027 0.000 0.866 241 T HN 0.204 nan 8.240 nan 0.000 0.444 242 K N 0.958 121.272 120.400 -0.143 0.000 2.217 242 K HA 0.007 4.682 4.320 0.591 0.000 0.202 242 K C 2.209 178.702 176.600 -0.179 0.000 1.051 242 K CA 1.037 57.227 56.287 -0.162 0.000 0.952 242 K CB -0.116 32.272 32.500 -0.187 0.000 0.736 242 K HN 0.384 nan 8.250 nan 0.000 0.453 243 V N -1.868 117.867 119.914 -0.299 0.000 3.649 243 V HA 0.101 4.575 4.120 0.591 0.000 0.275 243 V C 0.541 176.558 176.094 -0.128 0.000 1.281 243 V CA -0.205 61.951 62.300 -0.240 0.000 1.143 243 V CB 0.171 31.734 31.823 -0.432 0.000 0.892 243 V HN -0.072 nan 8.190 nan 0.000 0.441 244 S N 1.551 117.187 115.700 -0.107 0.000 2.533 244 S HA 0.518 5.343 4.470 0.591 0.000 0.282 244 S C 1.062 175.519 174.600 -0.238 0.000 1.304 244 S CA 0.635 58.774 58.200 -0.101 0.000 1.063 244 S CB 0.211 63.377 63.200 -0.056 0.000 0.881 244 S HN 1.506 nan 8.310 nan 0.000 0.493 245 G N 3.087 111.692 108.800 -0.324 0.000 2.598 245 G HA2 -0.255 4.059 3.960 0.591 0.000 0.269 245 G HA3 -0.255 4.059 3.960 0.591 0.000 0.269 245 G C 0.187 174.312 174.900 -1.292 0.000 1.289 245 G CA -0.084 44.575 45.100 -0.736 0.000 0.926 245 G HN 0.959 nan 8.290 nan 0.000 0.567 246 S N 1.207 116.035 115.700 -1.452 0.000 2.562 246 S HA 0.507 5.332 4.470 0.591 0.000 0.281 246 S C -0.195 174.050 174.600 -0.590 0.000 1.333 246 S CA -0.011 57.478 58.200 -1.185 0.000 1.052 246 S CB 1.068 63.944 63.200 -0.540 0.000 0.884 246 S HN 0.669 nan 8.310 nan 0.000 0.506 247 P HA 0.178 nan 4.420 nan 0.000 0.267 247 P C 0.386 177.505 177.300 -0.302 0.000 1.289 247 P CA 0.308 63.162 63.100 -0.411 0.000 0.866 247 P CB 0.116 31.605 31.700 -0.353 0.000 1.309 248 H N -2.211 116.754 119.070 -0.175 0.000 2.562 248 H HA 0.082 4.991 4.556 0.587 0.000 0.267 248 H C 0.055 175.324 175.328 -0.099 0.000 0.959 248 H CA 0.335 56.346 56.048 -0.061 0.000 1.204 248 H CB -0.269 29.412 29.762 -0.136 0.000 1.430 248 H HN 0.124 nan 8.280 nan 0.000 0.545 249 W N 1.573 122.824 121.300 -0.081 0.000 5.563 249 W HA -0.290 4.727 4.660 0.595 0.000 0.396 249 W C -0.001 176.312 176.519 -0.344 0.000 1.519 249 W CA 0.525 57.746 57.345 -0.206 0.000 0.953 249 W CB -2.299 27.006 29.460 -0.259 0.000 2.691 249 W HN 0.370 nan 8.180 nan 0.000 1.444 250 N N -2.368 116.294 118.700 -0.064 0.000 2.925 250 N HA -0.198 4.897 4.740 0.591 0.000 0.244 250 N C -0.397 175.084 175.510 -0.048 0.000 1.000 250 N CA 1.583 54.624 53.050 -0.014 0.000 0.895 250 N CB -1.438 37.095 38.487 0.076 0.000 1.119 250 N HN 0.388 nan 8.380 nan 0.000 0.569 251 L N 1.665 122.779 121.223 -0.182 0.000 2.329 251 L HA 0.521 5.216 4.340 0.591 0.000 0.279 251 L C -1.853 174.982 176.870 -0.058 0.000 1.014 251 L CA -1.573 53.169 54.840 -0.163 0.000 0.814 251 L CB 1.879 43.660 42.059 -0.462 0.000 1.257 251 L HN -0.207 nan 8.230 nan 0.000 0.424 252 P HA 0.164 nan 4.420 nan 0.000 0.274 252 P C -0.661 176.786 177.300 0.243 0.000 1.256 252 P CA -0.251 62.858 63.100 0.015 0.000 0.795 252 P CB 0.944 32.629 31.700 -0.024 0.000 1.038 253 T N -2.944 111.793 114.554 0.305 0.000 2.926 253 T HA 0.311 5.015 4.350 0.591 0.000 0.289 253 T C 0.817 175.599 174.700 0.136 0.000 1.054 253 T CA -0.569 61.642 62.100 0.186 0.000 1.015 253 T CB 0.537 69.442 68.868 0.061 0.000 1.167 253 T HN 0.215 nan 8.240 nan 0.000 0.526 254 F N 1.411 121.345 119.950 -0.028 0.000 2.065 254 F HA 0.244 5.126 4.527 0.591 0.000 0.298 254 F C 0.199 175.897 175.800 -0.170 0.000 1.112 254 F CA 0.894 58.842 58.000 -0.086 0.000 1.212 254 F CB -0.563 38.388 39.000 -0.082 0.000 0.975 254 F HN 0.463 nan 8.300 nan 0.000 0.476 255 L N -0.328 120.602 121.223 -0.490 0.000 2.354 255 L HA 0.481 5.176 4.340 0.591 0.000 0.264 255 L C -0.385 176.265 176.870 -0.367 0.000 1.008 255 L CA -0.803 53.660 54.840 -0.630 0.000 0.819 255 L CB 1.849 43.367 42.059 -0.901 0.000 1.339 255 L HN -0.034 nan 8.230 nan 0.000 0.420 256 S N 0.648 116.146 115.700 -0.336 0.000 2.541 256 S HA 0.629 5.454 4.470 0.591 0.000 0.271 256 S C -0.799 173.692 174.600 -0.181 0.000 1.133 256 S CA -0.899 57.159 58.200 -0.237 0.000 0.876 256 S CB 1.729 64.728 63.200 -0.335 0.000 1.105 256 S HN 0.473 nan 8.310 nan 0.000 0.470 257 R N 2.006 122.432 120.500 -0.124 0.000 2.652 257 R HA 0.352 5.047 4.340 0.591 0.000 0.271 257 R C 1.323 177.572 176.300 -0.084 0.000 1.129 257 R CA -0.531 55.515 56.100 -0.090 0.000 1.200 257 R CB -0.349 29.912 30.300 -0.066 0.000 1.146 257 R HN 0.774 nan 8.270 nan 0.000 0.581 258 L N 0.931 122.117 121.223 -0.060 0.000 2.456 258 L HA -0.131 4.563 4.340 0.591 0.000 0.224 258 L C 1.213 178.045 176.870 -0.065 0.000 1.148 258 L CA 1.035 55.844 54.840 -0.052 0.000 0.825 258 L CB -0.480 41.560 42.059 -0.032 0.000 0.937 258 L HN 0.601 nan 8.230 nan 0.000 0.450 259 D N -0.754 119.608 120.400 -0.064 0.000 2.339 259 D HA 0.052 5.046 4.640 0.591 0.000 0.217 259 D C 1.428 177.684 176.300 -0.073 0.000 1.050 259 D CA 0.747 54.708 54.000 -0.066 0.000 0.856 259 D CB 0.467 41.235 40.800 -0.052 0.000 0.922 259 D HN 0.217 nan 8.370 nan 0.000 0.518 260 G N -0.219 108.534 108.800 -0.078 0.000 2.194 260 G HA2 -0.258 4.056 3.960 0.591 0.000 0.236 260 G HA3 -0.258 4.056 3.960 0.591 0.000 0.236 260 G C 0.260 175.173 174.900 0.021 0.000 0.987 260 G CA 0.094 45.167 45.100 -0.045 0.000 0.635 260 G HN 0.364 nan 8.290 nan 0.000 0.520 261 S N 3.066 118.745 115.700 -0.036 0.000 2.515 261 S HA 0.420 5.245 4.470 0.591 0.000 0.285 261 S C -1.914 172.656 174.600 -0.050 0.000 1.265 261 S CA -0.351 57.820 58.200 -0.048 0.000 1.079 261 S CB 1.089 64.264 63.200 -0.041 0.000 0.877 261 S HN 0.297 nan 8.310 nan 0.000 0.493 262 P HA 0.016 nan 4.420 nan 0.000 0.264 262 P C -0.551 176.694 177.300 -0.093 0.000 1.183 262 P CA -0.137 62.891 63.100 -0.121 0.000 0.763 262 P CB 0.313 31.793 31.700 -0.365 0.000 0.807 263 V N 5.526 125.361 119.914 -0.133 0.000 2.521 263 V HA 0.039 4.513 4.120 0.591 0.000 0.286 263 V C 0.668 176.695 176.094 -0.111 0.000 1.034 263 V CA 0.168 62.386 62.300 -0.137 0.000 1.045 263 V CB 0.028 31.718 31.823 -0.223 0.000 0.974 263 V HN 0.353 nan 8.190 nan 0.000 0.480 264 I N 5.127 125.664 120.570 -0.055 0.000 2.315 264 I HA 0.574 5.099 4.170 0.591 0.000 0.291 264 I C 0.973 177.044 176.117 -0.077 0.000 1.006 264 I CA 0.599 61.889 61.300 -0.016 0.000 1.265 264 I CB 0.116 38.166 38.000 0.083 0.000 1.387 264 I HN 0.884 nan 8.210 nan 0.000 0.475 265 G N 6.681 115.388 108.800 -0.155 0.000 2.552 265 G HA2 -0.294 4.020 3.960 0.591 0.000 0.265 265 G HA3 -0.294 4.020 3.960 0.591 0.000 0.265 265 G C -0.675 173.960 174.900 -0.442 0.000 1.234 265 G CA -0.263 44.679 45.100 -0.264 0.000 0.944 265 G HN 0.477 nan 8.290 nan 0.000 0.568 266 Y N 0.520 120.732 120.300 -0.148 0.000 2.310 266 Y HA 0.561 5.467 4.550 0.592 0.000 0.326 266 Y C 1.683 177.493 175.900 -0.149 0.000 1.151 266 Y CA 0.231 58.210 58.100 -0.201 0.000 1.195 266 Y CB 1.184 39.525 38.460 -0.198 0.000 1.210 266 Y HN 0.665 nan 8.280 nan 0.000 0.483 267 I N -0.918 119.636 120.570 -0.026 0.000 4.655 267 I HA 0.397 4.922 4.170 0.591 0.000 0.333 267 I C -0.785 175.425 176.117 0.155 0.000 1.312 267 I CA -0.204 61.124 61.300 0.047 0.000 1.270 267 I CB 0.755 38.784 38.000 0.048 0.000 1.318 267 I HN 0.299 nan 8.210 nan 0.000 0.456 268 F N 0.078 120.057 119.950 0.049 0.000 2.641 268 F HA 0.534 5.416 4.527 0.590 0.000 0.308 268 F C -1.140 174.699 175.800 0.066 0.000 1.105 268 F CA -1.296 56.736 58.000 0.052 0.000 0.964 268 F CB 0.378 39.410 39.000 0.054 0.000 1.294 268 F HN -0.175 nan 8.300 nan 0.000 0.442 269 N N 1.146 119.980 118.700 0.224 0.000 2.468 269 N HA 0.422 5.517 4.740 0.591 0.000 0.265 269 N C 0.820 176.478 175.510 0.246 0.000 1.199 269 N CA 1.088 54.211 53.050 0.120 0.000 0.928 269 N CB 0.862 39.412 38.487 0.104 0.000 1.059 269 N HN 1.199 nan 8.380 nan 0.000 0.467 270 G N 1.268 110.128 108.800 0.099 0.000 2.195 270 G HA2 -0.295 4.020 3.960 0.591 0.000 0.224 270 G HA3 -0.295 4.020 3.960 0.591 0.000 0.224 270 G C 0.101 175.088 174.900 0.146 0.000 0.990 270 G CA -0.414 44.803 45.100 0.195 0.000 0.639 270 G HN 0.626 nan 8.290 nan 0.000 0.514 271 Q N 0.631 120.259 119.800 -0.286 0.000 2.311 271 Q HA 0.571 5.266 4.340 0.591 0.000 0.272 271 Q C 1.687 177.697 176.000 0.016 0.000 1.012 271 Q CA 0.678 56.201 55.803 -0.466 0.000 0.891 271 Q CB 0.936 29.001 28.738 -1.121 0.000 1.201 271 Q HN 0.697 nan 8.270 nan 0.000 0.391 272 A N 4.975 127.873 122.820 0.130 0.000 1.897 272 A HA -0.019 4.655 4.320 0.591 0.000 0.215 272 A C 0.356 177.946 177.584 0.011 0.000 1.181 272 A CA 1.019 53.096 52.037 0.068 0.000 0.620 272 A CB 0.172 19.177 19.000 0.009 0.000 0.821 272 A HN 0.830 nan 8.150 nan 0.000 0.443 273 N N -1.962 116.695 118.700 -0.072 0.000 2.708 273 N HA 0.368 5.463 4.740 0.591 0.000 0.257 273 N C -3.333 171.781 175.510 -0.659 0.000 1.373 273 N CA -1.446 51.360 53.050 -0.406 0.000 0.843 273 N CB 1.168 39.377 38.487 -0.463 0.000 1.503 273 N HN -0.211 nan 8.380 nan 0.000 0.504 274 P HA 0.057 nan 4.420 nan 0.000 0.266 274 P C 0.908 177.902 177.300 -0.511 0.000 1.195 274 P CA 0.154 62.553 63.100 -1.167 0.000 0.768 274 P CB 0.401 31.387 31.700 -1.190 0.000 0.838 275 G N 2.679 111.235 108.800 -0.406 0.000 2.450 275 G HA2 -0.253 4.061 3.960 0.591 0.000 0.220 275 G HA3 -0.253 4.061 3.960 0.591 0.000 0.220 275 G C 1.059 175.892 174.900 -0.112 0.000 1.130 275 G CA 0.444 45.376 45.100 -0.281 0.000 0.760 275 G HN 0.634 nan 8.290 nan 0.000 0.557 276 Q N -0.763 118.986 119.800 -0.085 0.000 2.360 276 Q HA 0.007 4.702 4.340 0.591 0.000 0.202 276 Q C -0.082 176.014 176.000 0.160 0.000 0.915 276 Q CA -0.446 55.344 55.803 -0.022 0.000 0.943 276 Q CB -0.174 28.492 28.738 -0.120 0.000 1.064 276 Q HN 0.382 nan 8.270 nan 0.000 0.511 277 W N 2.013 123.286 121.300 -0.046 0.000 2.251 277 W HA 0.104 5.131 4.660 0.611 0.000 0.327 277 W C -0.018 176.553 176.519 0.088 0.000 1.361 277 W CA -1.098 56.252 57.345 0.008 0.000 1.234 277 W CB -0.201 29.237 29.460 -0.038 0.000 1.212 277 W HN 0.111 nan 8.180 nan 0.000 0.557 278 Y N 5.603 126.009 120.300 0.178 0.000 2.584 278 Y HA 0.241 5.147 4.550 0.593 0.000 0.351 278 Y C 0.200 176.159 175.900 0.099 0.000 1.030 278 Y CA 0.061 58.261 58.100 0.167 0.000 1.332 278 Y CB -0.140 38.435 38.460 0.192 0.000 1.148 278 Y HN 0.530 nan 8.280 nan 0.000 0.528 279 E N 3.138 123.111 120.200 -0.379 0.000 2.359 279 E HA 0.300 5.005 4.350 0.591 0.000 0.223 279 E C 0.064 175.977 176.600 -1.146 0.000 0.877 279 E CA -0.389 55.591 56.400 -0.700 0.000 0.887 279 E CB -0.232 29.219 29.700 -0.415 0.000 1.890 279 E HN 0.284 nan 8.360 nan 0.000 0.419 280 F N 0.852 120.282 119.950 -0.867 0.000 2.126 280 F HA -0.041 4.845 4.527 0.599 0.000 0.299 280 F C 1.601 177.038 175.800 -0.604 0.000 1.096 280 F CA 1.697 58.923 58.000 -1.289 0.000 1.255 280 F CB -0.717 37.727 39.000 -0.926 0.000 0.997 280 F HN 0.302 nan 8.300 nan 0.000 0.479 281 D N 0.355 120.666 120.400 -0.149 0.000 2.097 281 D HA -0.138 4.857 4.640 0.591 0.000 0.195 281 D C 2.341 178.727 176.300 0.144 0.000 0.989 281 D CA 1.586 55.664 54.000 0.130 0.000 0.827 281 D CB -0.668 40.269 40.800 0.228 0.000 0.966 281 D HN 0.204 nan 8.370 nan 0.000 0.456 282 A N 0.265 123.088 122.820 0.006 0.000 2.070 282 A HA -0.153 4.522 4.320 0.591 0.000 0.220 282 A C 1.682 179.384 177.584 0.196 0.000 1.159 282 A CA 0.751 52.844 52.037 0.094 0.000 0.656 282 A CB -0.967 18.073 19.000 0.066 0.000 0.800 282 A HN 0.263 nan 8.150 nan 0.000 0.453 283 W N 0.466 121.707 121.300 -0.100 0.000 2.308 283 W HA -0.173 4.859 4.660 0.620 0.000 0.301 283 W C 2.232 178.853 176.519 0.171 0.000 1.220 283 W CA 1.357 58.732 57.345 0.050 0.000 1.240 283 W CB -0.749 28.777 29.460 0.109 0.000 1.142 283 W HN 0.394 nan 8.180 nan 0.000 0.521 284 R N -0.454 120.299 120.500 0.421 0.000 2.275 284 R HA 0.011 4.705 4.340 0.591 0.000 0.199 284 R C 1.947 178.405 176.300 0.263 0.000 0.989 284 R CA 0.650 56.936 56.100 0.310 0.000 1.016 284 R CB -0.569 29.936 30.300 0.342 0.000 0.918 284 R HN 0.010 nan 8.270 nan 0.000 0.473 285 V N 2.404 122.501 119.914 0.306 0.000 2.255 285 V HA -0.284 4.190 4.120 0.591 0.000 0.247 285 V C 2.312 178.590 176.094 0.307 0.000 1.051 285 V CA 2.260 64.749 62.300 0.315 0.000 1.018 285 V CB -0.529 31.496 31.823 0.338 0.000 0.641 285 V HN 0.417 nan 8.190 nan 0.000 0.445 286 I N -2.326 118.419 120.570 0.292 0.000 2.676 286 I HA -0.198 4.327 4.170 0.591 0.000 0.259 286 I C 2.392 178.518 176.117 0.016 0.000 1.194 286 I CA 1.654 63.043 61.300 0.149 0.000 1.473 286 I CB -0.471 37.580 38.000 0.085 0.000 1.096 286 I HN 0.279 nan 8.210 nan 0.000 0.443 287 M N 1.936 121.546 119.600 0.017 0.000 2.080 287 M HA -0.207 4.627 4.480 0.591 0.000 0.260 287 M C 1.917 178.122 176.300 -0.159 0.000 1.068 287 M CA 2.066 57.304 55.300 -0.103 0.000 1.109 287 M CB -0.313 32.245 32.600 -0.069 0.000 1.342 287 M HN 0.337 nan 8.290 nan 0.000 0.405 288 N N -0.157 118.514 118.700 -0.048 0.000 2.244 288 N HA -0.112 4.983 4.740 0.591 0.000 0.183 288 N C 1.626 177.115 175.510 -0.036 0.000 1.016 288 N CA 1.337 54.345 53.050 -0.069 0.000 0.866 288 N CB -0.567 37.945 38.487 0.041 0.000 0.980 288 N HN 0.265 nan 8.380 nan 0.000 0.430 289 V N 0.811 120.745 119.914 0.033 0.000 2.307 289 V HA -0.119 4.356 4.120 0.591 0.000 0.245 289 V C 2.470 178.512 176.094 -0.087 0.000 1.045 289 V CA 1.985 64.301 62.300 0.026 0.000 1.024 289 V CB -1.246 30.555 31.823 -0.037 0.000 0.651 289 V HN 0.317 nan 8.190 nan 0.000 0.449 290 G N -0.252 108.457 108.800 -0.152 0.000 2.440 290 G HA2 -0.292 4.023 3.960 0.591 0.000 0.218 290 G HA3 -0.292 4.023 3.960 0.591 0.000 0.218 290 G C 1.673 176.443 174.900 -0.216 0.000 1.154 290 G CA 1.239 46.218 45.100 -0.203 0.000 0.767 290 G HN 0.471 nan 8.290 nan 0.000 0.552 291 L N 0.129 121.184 121.223 -0.279 0.000 2.012 291 L HA -0.096 4.599 4.340 0.591 0.000 0.210 291 L C 2.469 179.239 176.870 -0.166 0.000 1.073 291 L CA 2.524 57.192 54.840 -0.287 0.000 0.748 291 L CB -0.366 41.439 42.059 -0.423 0.000 0.891 291 L HN 0.278 nan 8.230 nan 0.000 0.431 292 D N -0.481 119.843 120.400 -0.128 0.000 2.117 292 D HA -0.178 4.817 4.640 0.591 0.000 0.197 292 D C 2.151 178.333 176.300 -0.198 0.000 0.987 292 D CA 1.376 55.343 54.000 -0.055 0.000 0.829 292 D CB 0.054 40.944 40.800 0.150 0.000 0.961 292 D HN 0.473 nan 8.370 nan 0.000 0.460 293 A N -0.470 122.113 122.820 -0.395 0.000 1.883 293 A HA -0.255 4.420 4.320 0.591 0.000 0.217 293 A C 2.203 179.610 177.584 -0.295 0.000 1.186 293 A CA 1.925 53.583 52.037 -0.633 0.000 0.624 293 A CB -1.173 17.458 19.000 -0.614 0.000 0.822 293 A HN 0.554 nan 8.150 nan 0.000 0.444 294 H N -0.920 117.972 119.070 -0.297 0.000 2.293 294 H HA -0.062 4.849 4.556 0.592 0.000 0.300 294 H C 1.873 177.053 175.328 -0.246 0.000 1.082 294 H CA 1.379 57.288 56.048 -0.232 0.000 1.308 294 H CB -0.017 29.651 29.762 -0.157 0.000 1.375 294 H HN 0.308 nan 8.280 nan 0.000 0.495 295 L N 0.095 121.132 121.223 -0.309 0.000 2.131 295 L HA -0.090 4.605 4.340 0.591 0.000 0.206 295 L C 1.656 178.389 176.870 -0.228 0.000 1.087 295 L CA 1.001 55.574 54.840 -0.445 0.000 0.767 295 L CB -0.255 41.437 42.059 -0.613 0.000 0.917 295 L HN 0.470 nan 8.230 nan 0.000 0.441 296 M N -1.322 118.204 119.600 -0.124 0.000 2.306 296 M HA 0.358 5.192 4.480 0.591 0.000 0.292 296 M C 0.599 176.866 176.300 -0.056 0.000 1.018 296 M CA 0.212 55.508 55.300 -0.007 0.000 1.007 296 M CB 0.272 32.933 32.600 0.101 0.000 1.510 296 M HN 0.138 nan 8.290 nan 0.000 0.537 297 G N 1.298 110.001 108.800 -0.163 0.000 2.770 297 G HA2 0.167 4.481 3.960 0.591 0.000 0.686 297 G HA3 0.167 4.481 3.960 0.591 0.000 0.686 297 G C -0.766 173.916 174.900 -0.364 0.000 1.180 297 G CA -0.619 44.366 45.100 -0.192 0.000 0.767 297 G HN 0.575 nan 8.290 nan 0.000 0.646 298 A N 2.386 124.991 122.820 -0.359 0.000 2.302 298 A HA 0.728 5.403 4.320 0.591 0.000 0.295 298 A C 0.469 177.932 177.584 -0.201 0.000 1.235 298 A CA -0.096 51.663 52.037 -0.463 0.000 0.876 298 A CB 0.672 19.473 19.000 -0.333 0.000 1.133 298 A HN 0.698 nan 8.150 nan 0.000 0.533 299 Q N 0.962 120.749 119.800 -0.020 0.000 2.286 299 Q HA 0.566 5.260 4.340 0.591 0.000 0.250 299 Q C 1.427 177.417 176.000 -0.016 0.000 1.021 299 Q CA 0.029 55.868 55.803 0.060 0.000 0.930 299 Q CB 1.351 30.208 28.738 0.199 0.000 1.266 299 Q HN 0.743 nan 8.270 nan 0.000 0.491 300 A N 1.110 123.951 122.820 0.036 0.000 1.908 300 A HA -0.166 4.508 4.320 0.591 0.000 0.218 300 A C 1.681 179.275 177.584 0.017 0.000 1.181 300 A CA 2.010 54.062 52.037 0.024 0.000 0.627 300 A CB -0.946 18.092 19.000 0.062 0.000 0.818 300 A HN 0.882 nan 8.150 nan 0.000 0.445 301 W N 0.010 121.282 121.300 -0.046 0.000 2.388 301 W HA -0.183 4.831 4.660 0.589 0.000 0.294 301 W C 1.542 177.945 176.519 -0.194 0.000 1.212 301 W CA 1.347 58.616 57.345 -0.128 0.000 1.271 301 W CB -1.133 28.234 29.460 -0.156 0.000 1.126 301 W HN 0.542 nan 8.180 nan 0.000 0.535 302 H N 1.383 119.792 119.070 -1.102 0.000 2.319 302 H HA -0.097 4.812 4.556 0.589 0.000 0.299 302 H C 2.257 177.263 175.328 -0.537 0.000 1.092 302 H CA 2.958 58.361 56.048 -1.074 0.000 1.302 302 H CB -0.238 28.947 29.762 -0.962 0.000 1.373 302 H HN 0.071 nan 8.280 nan 0.000 0.497 303 K N -0.156 120.108 120.400 -0.227 0.000 2.026 303 K HA -0.130 4.545 4.320 0.591 0.000 0.208 303 K C 2.561 179.075 176.600 -0.143 0.000 1.048 303 K CA 1.342 57.535 56.287 -0.157 0.000 0.929 303 K CB -0.194 32.242 32.500 -0.106 0.000 0.713 303 K HN 0.087 nan 8.250 nan 0.000 0.439 304 S N 0.591 116.221 115.700 -0.116 0.000 2.368 304 S HA -0.174 4.651 4.470 0.591 0.000 0.225 304 S C 2.080 176.593 174.600 -0.146 0.000 1.030 304 S CA 1.297 59.448 58.200 -0.081 0.000 0.999 304 S CB -0.280 62.910 63.200 -0.017 0.000 0.844 304 S HN 0.371 nan 8.310 nan 0.000 0.459 305 A N 0.770 123.414 122.820 -0.294 0.000 1.865 305 A HA -0.044 4.631 4.320 0.591 0.000 0.217 305 A C 2.376 179.707 177.584 -0.422 0.000 1.191 305 A CA 2.039 53.693 52.037 -0.638 0.000 0.623 305 A CB -1.154 17.010 19.000 -1.393 0.000 0.826 305 A HN 0.465 nan 8.150 nan 0.000 0.444 306 V N 0.767 120.480 119.914 -0.337 0.000 2.323 306 V HA -0.216 4.258 4.120 0.591 0.000 0.244 306 V C 2.307 178.298 176.094 -0.172 0.000 1.041 306 V CA 2.005 64.166 62.300 -0.232 0.000 1.025 306 V CB -1.019 30.676 31.823 -0.214 0.000 0.656 306 V HN 0.533 nan 8.190 nan 0.000 0.451 307 N N 0.581 119.201 118.700 -0.134 0.000 2.104 307 N HA -0.178 4.917 4.740 0.591 0.000 0.190 307 N C 1.825 177.305 175.510 -0.051 0.000 1.024 307 N CA 1.501 54.502 53.050 -0.082 0.000 0.853 307 N CB -0.280 38.176 38.487 -0.052 0.000 1.008 307 N HN 0.518 nan 8.380 nan 0.000 0.424 308 K N 0.477 120.854 120.400 -0.039 0.000 2.103 308 K HA 0.120 4.794 4.320 0.591 0.000 0.204 308 K C 2.079 178.701 176.600 0.036 0.000 1.052 308 K CA 0.993 57.289 56.287 0.016 0.000 0.945 308 K CB -0.032 32.489 32.500 0.035 0.000 0.722 308 K HN 0.109 nan 8.250 nan 0.000 0.443 309 A N 1.329 124.148 122.820 -0.002 0.000 1.872 309 A HA -0.079 4.596 4.320 0.591 0.000 0.214 309 A C 2.100 179.639 177.584 -0.075 0.000 1.187 309 A CA 1.080 53.116 52.037 -0.002 0.000 0.614 309 A CB -0.652 18.365 19.000 0.029 0.000 0.826 309 A HN 0.130 nan 8.150 nan 0.000 0.442 310 L N -0.468 120.638 121.223 -0.195 0.000 2.131 310 L HA -0.142 4.552 4.340 0.591 0.000 0.210 310 L C 2.786 179.627 176.870 -0.049 0.000 1.092 310 L CA 1.007 55.631 54.840 -0.360 0.000 0.759 310 L CB -0.811 40.892 42.059 -0.592 0.000 0.903 310 L HN 0.510 nan 8.230 nan 0.000 0.435 311 G N -0.165 108.637 108.800 0.004 0.000 2.418 311 G HA2 -0.336 3.978 3.960 0.591 0.000 0.217 311 G HA3 -0.336 3.978 3.960 0.591 0.000 0.217 311 G C 1.485 176.430 174.900 0.076 0.000 1.158 311 G CA 0.668 45.806 45.100 0.062 0.000 0.771 311 G HN 0.333 nan 8.290 nan 0.000 0.545 312 F N 1.221 121.147 119.950 -0.041 0.000 2.134 312 F HA 0.039 4.962 4.527 0.661 0.000 0.299 312 F C 2.422 178.184 175.800 -0.064 0.000 1.097 312 F CA 1.178 59.144 58.000 -0.056 0.000 1.264 312 F CB -0.166 38.761 39.000 -0.121 0.000 1.001 312 F HN 0.040 nan 8.300 nan 0.000 0.479 313 L N -0.587 120.557 121.223 -0.131 0.000 2.083 313 L HA -0.221 4.474 4.340 0.591 0.000 0.209 313 L C 2.528 179.323 176.870 -0.124 0.000 1.083 313 L CA 1.364 56.043 54.840 -0.268 0.000 0.752 313 L CB -0.976 40.807 42.059 -0.459 0.000 0.899 313 L HN 0.112 nan 8.230 nan 0.000 0.433 314 S N -0.862 114.858 115.700 0.033 0.000 2.356 314 S HA -0.248 4.577 4.470 0.591 0.000 0.223 314 S C 1.871 176.434 174.600 -0.061 0.000 1.032 314 S CA 1.422 59.634 58.200 0.020 0.000 1.005 314 S CB -0.469 62.782 63.200 0.084 0.000 0.867 314 S HN 0.449 nan 8.310 nan 0.000 0.449 315 Y N 2.475 122.640 120.300 -0.224 0.000 2.165 315 Y HA -0.162 4.744 4.550 0.593 0.000 0.286 315 Y C 2.382 178.079 175.900 -0.338 0.000 1.155 315 Y CA 1.143 59.079 58.100 -0.274 0.000 1.164 315 Y CB -0.774 37.492 38.460 -0.324 0.000 0.978 315 Y HN 0.200 nan 8.280 nan 0.000 0.513 316 A N 0.436 122.937 122.820 -0.532 0.000 1.933 316 A HA -0.219 4.456 4.320 0.591 0.000 0.218 316 A C 2.299 179.733 177.584 -0.249 0.000 1.175 316 A CA 1.871 53.601 52.037 -0.511 0.000 0.628 316 A CB -0.784 17.865 19.000 -0.586 0.000 0.814 316 A HN 0.560 nan 8.150 nan 0.000 0.444 317 K N -0.297 120.020 120.400 -0.139 0.000 2.097 317 K HA -0.158 4.517 4.320 0.591 0.000 0.206 317 K C 2.099 178.612 176.600 -0.145 0.000 1.049 317 K CA 1.923 58.173 56.287 -0.062 0.000 0.933 317 K CB -0.312 32.190 32.500 0.005 0.000 0.717 317 K HN 0.646 nan 8.250 nan 0.000 0.442 318 T N -2.196 112.219 114.554 -0.231 0.000 2.962 318 T HA -0.067 4.637 4.350 0.591 0.000 0.270 318 T C 0.911 175.453 174.700 -0.263 0.000 1.088 318 T CA 1.284 63.244 62.100 -0.233 0.000 1.127 318 T CB -0.271 68.451 68.868 -0.242 0.000 0.883 318 T HN 0.213 nan 8.240 nan 0.000 0.493 319 N N 1.709 120.201 118.700 -0.346 0.000 2.380 319 N HA 0.228 5.323 4.740 0.591 0.000 0.255 319 N C -0.720 174.699 175.510 -0.150 0.000 1.158 319 N CA -0.279 52.606 53.050 -0.274 0.000 0.878 319 N CB 0.287 38.539 38.487 -0.392 0.000 1.138 319 N HN 0.294 nan 8.380 nan 0.000 0.509 320 N N 0.147 118.778 118.700 -0.115 0.000 2.346 320 N HA 0.056 5.151 4.740 0.591 0.000 0.289 320 N C 0.634 176.110 175.510 -0.058 0.000 1.027 320 N CA -0.129 52.883 53.050 -0.062 0.000 0.864 320 N CB 1.386 39.854 38.487 -0.032 0.000 1.370 320 N HN 0.092 nan 8.380 nan 0.000 0.481 321 S N 3.125 118.799 115.700 -0.044 0.000 2.440 321 S HA -0.113 4.711 4.470 0.591 0.000 0.238 321 S C 0.830 175.408 174.600 -0.037 0.000 1.010 321 S CA 0.968 59.145 58.200 -0.039 0.000 0.972 321 S CB -0.120 63.063 63.200 -0.028 0.000 0.774 321 S HN 0.684 nan 8.310 nan 0.000 0.501 322 K N 0.834 121.211 120.400 -0.039 0.000 2.373 322 K HA 0.270 4.945 4.320 0.591 0.000 0.202 322 K C 0.216 176.785 176.600 -0.051 0.000 1.025 322 K CA 0.120 56.383 56.287 -0.041 0.000 1.115 322 K CB -0.175 32.303 32.500 -0.037 0.000 0.858 322 K HN 0.277 nan 8.250 nan 0.000 0.525 323 N N 1.432 120.098 118.700 -0.056 0.000 2.727 323 N HA -0.177 4.917 4.740 0.591 0.000 0.249 323 N C -1.018 174.446 175.510 -0.075 0.000 1.048 323 N CA 0.834 53.845 53.050 -0.065 0.000 0.714 323 N CB -1.677 36.772 38.487 -0.063 0.000 0.959 323 N HN 0.582 nan 8.380 nan 0.000 0.544 324 c N -0.799 117.758 118.600 -0.071 0.000 2.994 324 c HA 0.843 5.767 4.570 0.591 0.000 0.304 324 c C 0.365 174.446 174.090 -0.015 0.000 1.273 324 c CA -1.513 54.748 56.329 -0.114 0.000 1.537 324 c CB 0.482 42.898 42.510 -0.157 0.000 2.001 324 c HN 0.350 nan 8.230 nan 0.000 0.471 325 Y N 0.183 120.508 120.300 0.042 0.000 2.301 325 Y HA 0.740 5.277 4.550 -0.023 0.000 0.328 325 Y C 0.223 176.236 175.900 0.189 0.000 1.242 325 Y CA -0.544 57.653 58.100 0.161 0.000 1.323 325 Y CB 0.366 38.932 38.460 0.177 0.000 1.266 325 Y HN 0.764 nan 8.280 nan 0.000 0.527 326 E N 0.878 121.344 120.200 0.444 0.000 2.267 326 E HA 0.157 4.861 4.350 0.591 0.000 0.258 326 E C 0.356 177.120 176.600 0.274 0.000 1.074 326 E CA -0.807 55.675 56.400 0.136 0.000 0.915 326 E CB 1.117 30.714 29.700 -0.171 0.000 1.186 326 E HN 0.793 nan 8.360 nan 0.000 0.439 327 Q N -0.388 119.505 119.800 0.156 0.000 2.245 327 Q HA 0.046 4.740 4.340 0.591 0.000 0.201 327 Q C -0.011 176.152 176.000 0.271 0.000 0.955 327 Q CA 0.730 56.735 55.803 0.338 0.000 0.870 327 Q CB 0.559 29.522 28.738 0.375 0.000 0.945 327 Q HN 0.150 nan 8.270 nan 0.000 0.461 328 V N 0.632 120.510 119.914 -0.059 0.000 2.623 328 V HA 0.339 4.813 4.120 0.591 0.000 0.304 328 V C -1.388 174.459 176.094 -0.412 0.000 1.054 328 V CA -0.810 61.349 62.300 -0.234 0.000 0.882 328 V CB 1.228 32.734 31.823 -0.530 0.000 1.002 328 V HN 0.063 nan 8.190 nan 0.000 0.424 329 Y N 1.671 121.992 120.300 0.035 0.000 2.499 329 Y HA 0.710 5.581 4.550 0.534 0.000 0.347 329 Y C 0.320 176.126 175.900 -0.157 0.000 0.987 329 Y CA -0.558 57.532 58.100 -0.016 0.000 1.044 329 Y CB 2.483 41.010 38.460 0.110 0.000 1.245 329 Y HN 0.549 nan 8.280 nan 0.000 0.461 330 S N 1.885 117.581 115.700 -0.007 0.000 2.672 330 S HA 0.418 5.243 4.470 0.591 0.000 0.291 330 S C -1.428 173.286 174.600 0.190 0.000 1.145 330 S CA -0.512 57.691 58.200 0.004 0.000 1.013 330 S CB 0.041 63.218 63.200 -0.037 0.000 1.017 330 S HN 0.624 nan 8.310 nan 0.000 0.487 331 Y N 2.283 122.699 120.300 0.192 0.000 3.491 331 Y HA -0.272 4.631 4.550 0.589 0.000 0.215 331 Y C 1.519 177.565 175.900 0.243 0.000 1.219 331 Y CA 1.449 59.638 58.100 0.149 0.000 1.485 331 Y CB -1.755 36.763 38.460 0.097 0.000 1.450 331 Y HN 1.397 nan 8.280 nan 0.000 0.603 332 G N -1.854 107.112 108.800 0.276 0.000 2.184 332 G HA2 -0.140 4.174 3.960 0.591 0.000 0.264 332 G HA3 -0.140 4.174 3.960 0.591 0.000 0.264 332 G C 0.558 175.694 174.900 0.393 0.000 0.975 332 G CA 0.241 45.450 45.100 0.182 0.000 0.642 332 G HN 1.415 nan 8.290 nan 0.000 0.536 333 G N -0.164 108.863 108.800 0.379 0.000 2.372 333 G HA2 0.783 5.098 3.960 0.591 0.000 0.323 333 G HA3 0.783 5.098 3.960 0.591 0.000 0.323 333 G C 0.231 175.296 174.900 0.275 0.000 1.152 333 G CA 0.525 45.822 45.100 0.329 0.000 0.906 333 G HN 1.462 nan 8.290 nan 0.000 0.460 334 A N 2.186 125.123 122.820 0.195 0.000 2.477 334 A HA 0.396 5.070 4.320 0.591 0.000 0.246 334 A C 0.858 178.323 177.584 -0.198 0.000 1.078 334 A CA -0.076 51.837 52.037 -0.206 0.000 0.770 334 A CB 0.450 19.384 19.000 -0.110 0.000 1.011 334 A HN 0.576 nan 8.150 nan 0.000 0.494 335 Q N 1.195 120.786 119.800 -0.348 0.000 2.204 335 Q HA 0.046 4.740 4.340 0.591 0.000 0.209 335 Q C -0.002 175.887 176.000 -0.186 0.000 0.861 335 Q CA -0.206 55.422 55.803 -0.291 0.000 0.971 335 Q CB -0.043 28.345 28.738 -0.584 0.000 1.095 335 Q HN 0.908 nan 8.270 nan 0.000 0.486 336 N N 1.611 120.216 118.700 -0.158 0.000 2.725 336 N HA -0.179 4.915 4.740 0.591 0.000 0.251 336 N C -0.369 175.107 175.510 -0.057 0.000 1.031 336 N CA 0.312 53.312 53.050 -0.084 0.000 0.720 336 N CB -0.265 38.200 38.487 -0.036 0.000 0.930 336 N HN 0.082 nan 8.380 nan 0.000 0.543 337 R N 0.287 120.737 120.500 -0.082 0.000 2.507 337 R HA 0.449 5.143 4.340 0.591 0.000 0.298 337 R C 1.078 177.396 176.300 0.031 0.000 0.999 337 R CA 0.511 56.608 56.100 -0.005 0.000 1.082 337 R CB -0.331 29.966 30.300 -0.005 0.000 1.246 337 R HN 0.527 nan 8.270 nan 0.000 0.553 338 G N 0.321 109.119 108.800 -0.003 0.000 2.663 338 G HA2 -0.215 4.100 3.960 0.591 0.000 0.686 338 G HA3 -0.215 4.100 3.960 0.591 0.000 0.686 338 G C -0.153 174.746 174.900 -0.001 0.000 1.246 338 G CA -0.880 44.224 45.100 0.007 0.000 0.795 338 G HN 0.204 nan 8.290 nan 0.000 0.627 339 c N 1.213 119.799 118.600 -0.024 0.000 2.679 339 c HA 0.557 5.482 4.570 0.591 0.000 0.417 339 c C 1.849 175.892 174.090 -0.077 0.000 1.302 339 c CA 0.601 56.888 56.329 -0.069 0.000 1.973 339 c CB -0.130 42.324 42.510 -0.093 0.000 2.715 339 c HN 2.032 nan 8.230 nan 0.000 0.628 340 A N 3.064 125.772 122.820 -0.187 0.000 2.567 340 A HA 0.456 5.130 4.320 0.591 0.000 0.240 340 A C 0.882 178.371 177.584 -0.158 0.000 1.053 340 A CA 0.725 52.626 52.037 -0.225 0.000 0.755 340 A CB -0.223 18.474 19.000 -0.505 0.000 0.978 340 A HN 1.178 nan 8.150 nan 0.000 0.507 341 G N 1.014 109.758 108.800 -0.095 0.000 2.583 341 G HA2 0.449 4.763 3.960 0.591 0.000 0.280 341 G HA3 0.449 4.763 3.960 0.591 0.000 0.280 341 G C 0.360 175.252 174.900 -0.014 0.000 1.376 341 G CA -0.076 45.016 45.100 -0.013 0.000 1.043 341 G HN 0.688 nan 8.290 nan 0.000 0.538 342 E N -0.501 119.737 120.200 0.062 0.000 2.106 342 E HA 0.013 4.717 4.350 0.591 0.000 0.192 342 E C 2.491 179.198 176.600 0.177 0.000 0.984 342 E CA 1.204 57.681 56.400 0.129 0.000 0.806 342 E CB -0.231 29.530 29.700 0.102 0.000 0.750 342 E HN 0.465 nan 8.360 nan 0.000 0.458 343 G N 0.509 109.391 108.800 0.138 0.000 2.402 343 G HA2 -0.323 3.992 3.960 0.591 0.000 0.216 343 G HA3 -0.323 3.992 3.960 0.591 0.000 0.216 343 G C 1.517 176.413 174.900 -0.007 0.000 1.162 343 G CA 0.617 45.792 45.100 0.126 0.000 0.777 343 G HN 0.212 nan 8.290 nan 0.000 0.539 344 Q N 0.086 119.675 119.800 -0.351 0.000 2.079 344 Q HA -0.066 4.628 4.340 0.591 0.000 0.200 344 Q C 2.487 178.423 176.000 -0.107 0.000 0.974 344 Q CA 1.267 56.712 55.803 -0.598 0.000 0.840 344 Q CB -0.082 27.904 28.738 -1.253 0.000 0.898 344 Q HN 0.420 nan 8.270 nan 0.000 0.430 345 K N -0.155 120.259 120.400 0.023 0.000 2.097 345 K HA -0.114 4.560 4.320 0.591 0.000 0.206 345 K C 2.058 178.741 176.600 0.137 0.000 1.049 345 K CA 1.018 57.423 56.287 0.195 0.000 0.933 345 K CB -0.146 32.488 32.500 0.224 0.000 0.717 345 K HN 0.207 nan 8.250 nan 0.000 0.442 346 A N 1.704 124.588 122.820 0.107 0.000 1.883 346 A HA -0.170 4.504 4.320 0.591 0.000 0.217 346 A C 2.415 179.835 177.584 -0.274 0.000 1.186 346 A CA 1.991 53.903 52.037 -0.210 0.000 0.624 346 A CB -0.843 18.167 19.000 0.017 0.000 0.822 346 A HN 0.336 nan 8.150 nan 0.000 0.444 347 A N 0.178 122.934 122.820 -0.107 0.000 1.908 347 A HA -0.226 4.448 4.320 0.591 0.000 0.218 347 A C 1.887 179.412 177.584 -0.098 0.000 1.181 347 A CA 1.946 53.938 52.037 -0.075 0.000 0.627 347 A CB -0.649 18.392 19.000 0.069 0.000 0.818 347 A HN 0.562 nan 8.150 nan 0.000 0.445 348 N N 0.152 118.813 118.700 -0.066 0.000 2.331 348 N HA -0.003 5.091 4.740 0.591 0.000 0.180 348 N C 1.776 177.208 175.510 -0.130 0.000 1.019 348 N CA 1.269 54.248 53.050 -0.118 0.000 0.881 348 N CB -0.495 37.955 38.487 -0.062 0.000 0.972 348 N HN 0.484 nan 8.380 nan 0.000 0.435 349 A N 0.592 123.338 122.820 -0.124 0.000 1.898 349 A HA -0.048 4.627 4.320 0.591 0.000 0.216 349 A C 2.381 179.893 177.584 -0.119 0.000 1.181 349 A CA 1.097 53.067 52.037 -0.111 0.000 0.620 349 A CB -0.614 18.144 19.000 -0.403 0.000 0.819 349 A HN 0.091 nan 8.150 nan 0.000 0.442 350 V N -0.039 119.743 119.914 -0.221 0.000 2.515 350 V HA -0.206 4.268 4.120 0.591 0.000 0.250 350 V C 2.987 178.960 176.094 -0.200 0.000 1.058 350 V CA 1.610 63.776 62.300 -0.224 0.000 1.064 350 V CB -1.239 30.379 31.823 -0.341 0.000 0.675 350 V HN 0.593 nan 8.190 nan 0.000 0.461 351 A N 0.133 122.844 122.820 -0.182 0.000 2.032 351 A HA -0.188 4.486 4.320 0.591 0.000 0.221 351 A C 2.159 179.653 177.584 -0.151 0.000 1.165 351 A CA 1.686 53.620 52.037 -0.172 0.000 0.645 351 A CB -0.620 18.271 19.000 -0.182 0.000 0.807 351 A HN 0.551 nan 8.150 nan 0.000 0.453 352 L N -0.713 120.441 121.223 -0.116 0.000 2.261 352 L HA -0.174 4.521 4.340 0.591 0.000 0.216 352 L C 2.073 178.975 176.870 0.052 0.000 1.114 352 L CA 0.642 55.458 54.840 -0.040 0.000 0.777 352 L CB -0.553 41.487 42.059 -0.032 0.000 0.910 352 L HN 0.388 nan 8.230 nan 0.000 0.440 353 L N -0.366 120.822 121.223 -0.059 0.000 2.450 353 L HA -0.150 4.544 4.340 0.591 0.000 0.224 353 L C 2.190 178.971 176.870 -0.148 0.000 1.149 353 L CA 0.773 55.535 54.840 -0.129 0.000 0.816 353 L CB -0.456 41.473 42.059 -0.217 0.000 0.932 353 L HN 0.268 nan 8.230 nan 0.000 0.449 354 A N -1.883 120.855 122.820 -0.136 0.000 2.469 354 A HA 0.144 4.819 4.320 0.591 0.000 0.245 354 A C 1.015 178.538 177.584 -0.102 0.000 1.221 354 A CA -0.105 51.828 52.037 -0.173 0.000 0.946 354 A CB 0.239 19.102 19.000 -0.228 0.000 1.049 354 A HN 0.180 nan 8.150 nan 0.000 0.529 355 S N 0.512 116.210 115.700 -0.003 0.000 2.565 355 S HA 0.332 5.156 4.470 0.591 0.000 0.276 355 S C 1.127 175.825 174.600 0.164 0.000 1.326 355 S CA 0.558 58.791 58.200 0.055 0.000 1.045 355 S CB 0.645 63.870 63.200 0.041 0.000 0.918 355 S HN 0.613 nan 8.310 nan 0.000 0.505 356 T N 1.043 115.656 114.554 0.098 0.000 3.174 356 T HA 0.303 5.008 4.350 0.591 0.000 0.269 356 T C 0.052 174.844 174.700 0.154 0.000 1.017 356 T CA -0.561 61.601 62.100 0.104 0.000 0.899 356 T CB -0.388 68.485 68.868 0.009 0.000 1.077 356 T HN 0.482 nan 8.240 nan 0.000 0.552 357 N N 0.928 119.732 118.700 0.172 0.000 2.518 357 N HA 0.499 5.593 4.740 0.591 0.000 0.254 357 N C 1.120 176.649 175.510 0.032 0.000 0.979 357 N CA 0.015 53.120 53.050 0.091 0.000 0.930 357 N CB 1.758 40.262 38.487 0.029 0.000 1.152 357 N HN 0.230 nan 8.380 nan 0.000 0.505 358 A N 3.058 125.941 122.820 0.105 0.000 1.940 358 A HA -0.066 4.608 4.320 0.591 0.000 0.219 358 A C 1.905 179.436 177.584 -0.088 0.000 1.176 358 A CA 1.974 54.031 52.037 0.034 0.000 0.631 358 A CB -0.729 18.360 19.000 0.148 0.000 0.814 358 A HN 0.688 nan 8.150 nan 0.000 0.446 359 G N -0.995 107.787 108.800 -0.031 0.000 2.422 359 G HA2 -0.233 4.081 3.960 0.591 0.000 0.218 359 G HA3 -0.233 4.081 3.960 0.591 0.000 0.218 359 G C 1.610 176.497 174.900 -0.022 0.000 1.146 359 G CA 0.998 46.083 45.100 -0.025 0.000 0.769 359 G HN 0.638 nan 8.290 nan 0.000 0.547 360 Q N 0.034 119.829 119.800 -0.008 0.000 2.079 360 Q HA 0.053 4.748 4.340 0.591 0.000 0.200 360 Q C 3.045 179.077 176.000 0.052 0.000 0.974 360 Q CA 1.103 56.971 55.803 0.110 0.000 0.840 360 Q CB -0.230 28.549 28.738 0.070 0.000 0.898 360 Q HN 0.473 nan 8.270 nan 0.000 0.430 361 A N 1.424 124.077 122.820 -0.277 0.000 1.877 361 A HA -0.306 4.369 4.320 0.591 0.000 0.216 361 A C 2.026 179.514 177.584 -0.161 0.000 1.186 361 A CA 2.062 53.804 52.037 -0.491 0.000 0.620 361 A CB -1.698 16.411 19.000 -1.485 0.000 0.822 361 A HN 0.569 nan 8.150 nan 0.000 0.443 362 N N -0.674 117.948 118.700 -0.130 0.000 2.043 362 N HA -0.116 4.979 4.740 0.591 0.000 0.193 362 N C 2.058 177.585 175.510 0.027 0.000 1.037 362 N CA 3.368 56.403 53.050 -0.025 0.000 0.851 362 N CB -1.149 37.320 38.487 -0.029 0.000 1.027 362 N HN 0.834 nan 8.380 nan 0.000 0.422 363 E N -0.175 120.014 120.200 -0.018 0.000 2.017 363 E HA -0.043 4.662 4.350 0.591 0.000 0.193 363 E C 1.856 178.392 176.600 -0.107 0.000 0.997 363 E CA 1.439 57.774 56.400 -0.107 0.000 0.804 363 E CB -0.997 28.558 29.700 -0.241 0.000 0.757 363 E HN 0.758 nan 8.360 nan 0.000 0.448 364 F N -0.880 119.096 119.950 0.043 0.000 2.206 364 F HA 0.116 4.976 4.527 0.554 0.000 0.298 364 F C 2.210 178.085 175.800 0.126 0.000 1.090 364 F CA 1.212 59.258 58.000 0.076 0.000 1.323 364 F CB -0.326 38.687 39.000 0.022 0.000 1.028 364 F HN 0.286 nan 8.300 nan 0.000 0.492 365 F N 1.267 121.320 119.950 0.171 0.000 2.113 365 F HA -0.185 4.696 4.527 0.590 0.000 0.297 365 F C 2.243 178.195 175.800 0.253 0.000 1.103 365 F CA 1.509 59.619 58.000 0.183 0.000 1.248 365 F CB -0.509 38.520 39.000 0.048 0.000 0.999 365 F HN -0.150 nan 8.300 nan 0.000 0.475 366 N N 0.740 119.593 118.700 0.255 0.000 2.223 366 N HA -0.161 4.934 4.740 0.591 0.000 0.185 366 N C 1.984 177.549 175.510 0.092 0.000 1.016 366 N CA 1.579 54.737 53.050 0.181 0.000 0.863 366 N CB -0.775 37.803 38.487 0.153 0.000 0.983 366 N HN 0.601 nan 8.380 nan 0.000 0.429 367 E N 0.696 120.938 120.200 0.070 0.000 2.204 367 E HA -0.130 4.575 4.350 0.591 0.000 0.194 367 E C 1.639 178.286 176.600 0.079 0.000 0.989 367 E CA 0.739 57.166 56.400 0.045 0.000 0.824 367 E CB -0.872 28.840 29.700 0.020 0.000 0.756 367 E HN 0.443 nan 8.360 nan 0.000 0.477 368 F N -1.065 118.858 119.950 -0.045 0.000 2.179 368 F HA 0.079 4.955 4.527 0.582 0.000 0.292 368 F C 2.300 178.061 175.800 -0.065 0.000 1.089 368 F CA 1.304 59.265 58.000 -0.064 0.000 1.295 368 F CB -0.270 38.647 39.000 -0.139 0.000 1.041 368 F HN 0.357 nan 8.300 nan 0.000 0.487 369 W N 1.382 122.334 121.300 -0.581 0.000 2.392 369 W HA -0.162 4.848 4.660 0.584 0.000 0.279 369 W C 2.313 178.654 176.519 -0.296 0.000 1.225 369 W CA 1.653 58.672 57.345 -0.544 0.000 1.233 369 W CB -0.214 29.036 29.460 -0.350 0.000 1.122 369 W HN 0.316 nan 8.180 nan 0.000 0.561 370 S N 0.140 115.771 115.700 -0.115 0.000 2.527 370 S HA 0.016 4.841 4.470 0.591 0.000 0.222 370 S C 0.850 175.345 174.600 -0.175 0.000 0.985 370 S CA 0.004 58.138 58.200 -0.109 0.000 0.921 370 S CB -0.641 62.544 63.200 -0.024 0.000 0.772 370 S HN 0.054 nan 8.310 nan 0.000 0.529 371 L N 3.276 124.366 121.223 -0.221 0.000 2.461 371 L HA 0.244 4.939 4.340 0.591 0.000 0.272 371 L C 0.724 177.452 176.870 -0.237 0.000 1.197 371 L CA -0.520 54.206 54.840 -0.189 0.000 0.836 371 L CB 0.393 42.367 42.059 -0.142 0.000 1.105 371 L HN 0.283 nan 8.230 nan 0.000 0.477 372 S N 1.384 116.954 115.700 -0.216 0.000 2.584 372 S HA 0.169 4.993 4.470 0.591 0.000 0.273 372 S C -0.316 174.034 174.600 -0.416 0.000 1.311 372 S CA -0.909 57.143 58.200 -0.246 0.000 1.034 372 S CB 1.246 64.345 63.200 -0.168 0.000 0.939 372 S HN 0.639 nan 8.310 nan 0.000 0.513 373 Q N 1.612 121.119 119.800 -0.489 0.000 2.315 373 Q HA 0.125 4.820 4.340 0.591 0.000 0.289 373 Q C -2.380 173.348 176.000 -0.454 0.000 1.044 373 Q CA -1.249 54.101 55.803 -0.755 0.000 0.920 373 Q CB -0.074 28.424 28.738 -0.400 0.000 1.214 373 Q HN 0.392 nan 8.270 nan 0.000 0.392 374 P HA -0.039 nan 4.420 nan 0.000 0.264 374 P C -1.124 176.125 177.300 -0.086 0.000 1.183 374 P CA 0.344 63.338 63.100 -0.178 0.000 0.763 374 P CB 0.800 32.446 31.700 -0.089 0.000 0.807 375 T N -0.581 113.952 114.554 -0.035 0.000 2.804 375 T HA 0.782 5.486 4.350 0.591 0.000 0.290 375 T C 0.216 174.931 174.700 0.026 0.000 1.099 375 T CA -0.178 61.919 62.100 -0.004 0.000 1.011 375 T CB 1.455 70.311 68.868 -0.019 0.000 1.291 375 T HN 0.705 nan 8.240 nan 0.000 0.523 376 G N 0.641 109.452 108.800 0.018 0.000 2.632 376 G HA2 -0.163 4.151 3.960 0.591 0.000 0.224 376 G HA3 -0.163 4.151 3.960 0.591 0.000 0.224 376 G C -0.019 174.867 174.900 -0.025 0.000 1.341 376 G CA 0.288 45.390 45.100 0.002 0.000 0.880 376 G HN 0.781 nan 8.290 nan 0.000 0.566 377 D N -0.612 119.713 120.400 -0.125 0.000 2.312 377 D HA 0.039 5.033 4.640 0.591 0.000 0.211 377 D C 1.363 177.429 176.300 -0.391 0.000 0.964 377 D CA 1.340 55.158 54.000 -0.303 0.000 0.877 377 D CB -0.015 40.480 40.800 -0.509 0.000 0.924 377 D HN 0.389 nan 8.370 nan 0.000 0.515 378 Y N 0.097 120.457 120.300 0.100 0.000 2.681 378 Y HA 0.185 5.094 4.550 0.597 0.000 0.267 378 Y C 1.715 177.723 175.900 0.180 0.000 1.166 378 Y CA -0.451 57.735 58.100 0.143 0.000 1.209 378 Y CB -0.025 38.519 38.460 0.141 0.000 1.161 378 Y HN -0.052 nan 8.280 nan 0.000 0.534 379 R N -1.457 119.183 120.500 0.234 0.000 2.236 379 R HA -0.148 4.547 4.340 0.591 0.000 0.208 379 R C 1.585 178.035 176.300 0.251 0.000 1.036 379 R CA 0.891 57.112 56.100 0.202 0.000 1.001 379 R CB -0.818 29.554 30.300 0.119 0.000 0.896 379 R HN 0.363 nan 8.270 nan 0.000 0.464 380 Y N 0.966 121.393 120.300 0.211 0.000 2.049 380 Y HA -0.317 4.588 4.550 0.592 0.000 0.277 380 Y C 1.940 178.057 175.900 0.362 0.000 1.143 380 Y CA 1.711 59.958 58.100 0.245 0.000 1.115 380 Y CB -0.698 37.889 38.460 0.213 0.000 0.975 380 Y HN 0.055 nan 8.280 nan 0.000 0.487 381 Y N 1.110 121.411 120.300 0.001 0.000 2.184 381 Y HA -0.126 4.776 4.550 0.587 0.000 0.290 381 Y C 2.224 178.215 175.900 0.152 0.000 1.129 381 Y CA 2.001 60.092 58.100 -0.016 0.000 1.144 381 Y CB -0.911 37.683 38.460 0.223 0.000 0.995 381 Y HN 0.328 nan 8.280 nan 0.000 0.513 382 N N -0.786 118.081 118.700 0.277 0.000 2.069 382 N HA -0.169 4.925 4.740 0.591 0.000 0.191 382 N C 2.020 177.613 175.510 0.139 0.000 1.031 382 N CA 1.222 54.397 53.050 0.208 0.000 0.852 382 N CB -0.601 38.026 38.487 0.235 0.000 1.018 382 N HN 0.438 nan 8.380 nan 0.000 0.423 383 G N -0.131 108.738 108.800 0.116 0.000 2.403 383 G HA2 -0.164 4.150 3.960 0.591 0.000 0.216 383 G HA3 -0.164 4.150 3.960 0.591 0.000 0.216 383 G C 1.585 176.556 174.900 0.118 0.000 1.154 383 G CA 0.563 45.728 45.100 0.108 0.000 0.784 383 G HN 0.191 nan 8.290 nan 0.000 0.538 384 S N 0.497 116.215 115.700 0.029 0.000 2.368 384 S HA 0.009 4.834 4.470 0.591 0.000 0.224 384 S C 2.276 176.788 174.600 -0.147 0.000 1.029 384 S CA 0.688 58.895 58.200 0.013 0.000 0.988 384 S CB -0.235 63.029 63.200 0.107 0.000 0.838 384 S HN 0.287 nan 8.310 nan 0.000 0.462 385 L N -0.251 120.833 121.223 -0.230 0.000 2.093 385 L HA -0.107 4.587 4.340 0.591 0.000 0.208 385 L C 2.312 179.153 176.870 -0.048 0.000 1.085 385 L CA 1.341 56.006 54.840 -0.293 0.000 0.755 385 L CB -0.503 41.400 42.059 -0.260 0.000 0.904 385 L HN 0.331 nan 8.230 nan 0.000 0.435 386 Y N 0.251 120.550 120.300 -0.002 0.000 2.181 386 Y HA -0.359 4.542 4.550 0.586 0.000 0.288 386 Y C 2.660 178.656 175.900 0.160 0.000 1.146 386 Y CA 2.016 60.206 58.100 0.151 0.000 1.164 386 Y CB -0.035 38.505 38.460 0.133 0.000 0.982 386 Y HN 0.121 nan 8.280 nan 0.000 0.515 387 M N -0.040 119.699 119.600 0.232 0.000 2.086 387 M HA -0.184 4.651 4.480 0.591 0.000 0.261 387 M C 1.870 178.241 176.300 0.118 0.000 1.067 387 M CA 1.844 57.263 55.300 0.199 0.000 1.116 387 M CB -0.659 32.087 32.600 0.243 0.000 1.348 387 M HN 0.346 nan 8.290 nan 0.000 0.407 388 L N -0.314 120.927 121.223 0.030 0.000 2.046 388 L HA -0.167 4.527 4.340 0.591 0.000 0.208 388 L C 2.585 179.504 176.870 0.081 0.000 1.077 388 L CA 1.270 56.129 54.840 0.032 0.000 0.747 388 L CB -1.153 40.812 42.059 -0.158 0.000 0.896 388 L HN 0.470 nan 8.230 nan 0.000 0.432 389 A N -0.708 122.108 122.820 -0.007 0.000 1.930 389 A HA -0.191 4.484 4.320 0.591 0.000 0.217 389 A C 2.311 179.905 177.584 0.016 0.000 1.175 389 A CA 1.324 53.309 52.037 -0.088 0.000 0.627 389 A CB -0.339 18.403 19.000 -0.429 0.000 0.815 389 A HN 0.261 nan 8.150 nan 0.000 0.443 390 M N -0.424 119.218 119.600 0.071 0.000 2.159 390 M HA -0.068 4.766 4.480 0.591 0.000 0.263 390 M C 2.095 178.517 176.300 0.203 0.000 1.063 390 M CA 1.273 56.679 55.300 0.177 0.000 1.110 390 M CB -1.248 31.395 32.600 0.070 0.000 1.374 390 M HN 0.419 nan 8.290 nan 0.000 0.411 391 L N -1.561 119.759 121.223 0.162 0.000 2.027 391 L HA -0.223 4.471 4.340 0.591 0.000 0.206 391 L C 2.606 179.582 176.870 0.177 0.000 1.074 391 L CA 0.996 55.932 54.840 0.160 0.000 0.745 391 L CB -0.989 41.169 42.059 0.166 0.000 0.898 391 L HN 0.331 nan 8.230 nan 0.000 0.433 392 H N -0.343 118.840 119.070 0.188 0.000 2.421 392 H HA -0.075 4.836 4.556 0.592 0.000 0.298 392 H C 2.047 177.438 175.328 0.104 0.000 1.087 392 H CA 1.969 58.087 56.048 0.116 0.000 1.330 392 H CB 0.091 29.810 29.762 -0.071 0.000 1.388 392 H HN 0.336 nan 8.280 nan 0.000 0.526 393 V N -0.404 119.658 119.914 0.247 0.000 3.647 393 V HA 0.125 4.600 4.120 0.591 0.000 0.279 393 V C 1.419 177.644 176.094 0.218 0.000 1.314 393 V CA 0.897 63.337 62.300 0.233 0.000 1.125 393 V CB 0.006 32.076 31.823 0.412 0.000 0.907 393 V HN 0.308 nan 8.190 nan 0.000 0.434 394 S N -0.871 114.961 115.700 0.219 0.000 2.629 394 S HA 0.498 5.322 4.470 0.591 0.000 0.236 394 S C 1.537 176.222 174.600 0.141 0.000 1.010 394 S CA 0.524 58.834 58.200 0.184 0.000 0.981 394 S CB 0.371 63.706 63.200 0.225 0.000 0.919 394 S HN 1.744 nan 8.310 nan 0.000 0.514 395 G N 1.756 110.657 108.800 0.167 0.000 2.153 395 G HA2 -0.315 4.000 3.960 0.591 0.000 0.252 395 G HA3 -0.315 4.000 3.960 0.591 0.000 0.252 395 G C 0.355 175.296 174.900 0.069 0.000 0.994 395 G CA 0.450 45.657 45.100 0.179 0.000 0.698 395 G HN 0.621 nan 8.290 nan 0.000 0.521 396 N N -1.139 117.611 118.700 0.083 0.000 2.254 396 N HA 0.287 5.382 4.740 0.591 0.000 0.190 396 N C 0.136 175.640 175.510 -0.010 0.000 1.107 396 N CA -0.314 52.743 53.050 0.012 0.000 0.869 396 N CB 0.280 38.796 38.487 0.048 0.000 0.983 396 N HN 0.332 nan 8.380 nan 0.000 0.487 397 F N 2.528 122.419 119.950 -0.097 0.000 2.334 397 F HA 0.356 5.239 4.527 0.594 0.000 0.365 397 F C -0.227 175.492 175.800 -0.136 0.000 1.124 397 F CA -0.519 57.425 58.000 -0.094 0.000 1.166 397 F CB 0.038 38.883 39.000 -0.259 0.000 1.355 397 F HN -0.298 nan 8.300 nan 0.000 0.532 398 K N 4.472 124.737 120.400 -0.225 0.000 2.340 398 K HA 0.486 5.160 4.320 0.591 0.000 0.244 398 K C -1.442 175.104 176.600 -0.090 0.000 0.973 398 K CA -0.997 55.014 56.287 -0.460 0.000 0.828 398 K CB 2.001 33.885 32.500 -1.027 0.000 1.226 398 K HN 0.149 nan 8.250 nan 0.000 0.437 399 F N 1.696 121.451 119.950 -0.324 0.000 2.404 399 F HA 0.302 5.183 4.527 0.590 0.000 0.354 399 F C -0.401 175.196 175.800 -0.339 0.000 1.122 399 F CA -1.083 56.665 58.000 -0.420 0.000 1.080 399 F CB 0.405 39.099 39.000 -0.511 0.000 1.131 399 F HN 0.327 nan 8.300 nan 0.000 0.471 400 Y N 2.654 122.944 120.300 -0.016 0.000 2.417 400 Y HA 0.294 5.198 4.550 0.590 0.000 0.336 400 Y C 0.523 176.528 175.900 0.176 0.000 0.961 400 Y CA -0.828 57.286 58.100 0.023 0.000 1.215 400 Y CB 0.545 38.889 38.460 -0.194 0.000 1.120 400 Y HN 0.409 nan 8.280 nan 0.000 0.499 401 N N 2.573 121.475 118.700 0.337 0.000 2.530 401 N HA 0.078 5.173 4.740 0.591 0.000 0.273 401 N C -0.460 175.080 175.510 0.050 0.000 1.173 401 N CA -0.215 52.984 53.050 0.248 0.000 0.967 401 N CB 0.549 39.189 38.487 0.256 0.000 1.109 401 N HN 0.672 nan 8.380 nan 0.000 0.453 402 N N -0.567 118.091 118.700 -0.070 0.000 2.467 402 N HA 0.231 5.326 4.740 0.591 0.000 0.262 402 N C -0.438 174.732 175.510 -0.567 0.000 1.234 402 N CA 0.225 53.060 53.050 -0.357 0.000 0.952 402 N CB 0.668 38.849 38.487 -0.510 0.000 1.158 402 N HN 0.326 nan 8.380 nan 0.000 0.463 403 T N 1.208 115.362 114.554 -0.666 0.000 2.859 403 T HA 0.564 5.268 4.350 0.591 0.000 0.281 403 T C -0.734 173.498 174.700 -0.780 0.000 1.005 403 T CA -0.330 61.455 62.100 -0.526 0.000 1.025 403 T CB 0.354 69.081 68.868 -0.235 0.000 0.977 403 T HN 0.204 nan 8.240 nan 0.000 0.458 404 F N 0.000 119.914 119.950 -0.061 0.000 2.286 404 F HA 0.000 4.881 4.527 0.590 0.000 0.279 404 F CA 0.000 57.958 58.000 -0.070 0.000 1.383 404 F CB 0.000 38.965 39.000 -0.058 0.000 1.145 404 F HN 0.000 nan 8.300 nan 0.000 0.574