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 2amo_1_B DATA FIRST_RESID -2 DATA SEQUENCE SHAAILWNEA KAFIAECYAE LGKAEEVADR LDSIKSEIDL TGSYVHTKEE DATA SEQUENCE LEHGAKMAWR NSNRCIGRLF WNSLNVIDRR DVRTKEDVRD ALFHHIETAT DATA SEQUENCE NNGKIRPSIT IFPPEEKGEK QVEIWNHQLI RYAGYEAAGE AIGDPASCSL DATA SEQUENCE TAACEQLGWR GERTDFDLLP LIFRMKGDEQ PVWYELPRSL VIEVPITHPD DATA SEQUENCE IEAFSDLELK WYGVPIISDM KLEVGGIHYN AAPFNGWYMG TEIGARNLAD DATA SEQUENCE EKRYDKLKKV ASVIGISTNY NTDLWKDQAL VELNKAVLYS YKKQGVSIVD DATA SEQUENCE HHTAASQFKR FEEQEEEAGR KLTGDWTWLI PPISPAATHI FHRSYDNSIV DATA SEQUENCE KPNYFYQDKP YE 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 -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.396 174.600 -0.340 0.000 1.055 -2 S CA 0.000 58.033 58.200 -0.278 0.000 1.107 -2 S CB 0.000 62.978 63.200 -0.370 0.000 0.593 -1 H N 1.007 120.097 119.070 0.034 0.000 2.426 -1 H HA 0.509 5.065 4.556 -0.000 0.000 0.286 -1 H C 2.238 177.599 175.328 0.054 0.000 0.990 -1 H CA 0.999 57.073 56.048 0.045 0.000 1.237 -1 H CB -0.597 29.189 29.762 0.040 0.000 1.466 -1 H HN 0.417 nan 8.280 nan 0.000 0.525 0 A N 1.542 124.461 122.820 0.165 0.000 1.972 0 A HA -0.027 4.293 4.320 -0.000 0.000 0.219 0 A C 2.483 180.142 177.584 0.125 0.000 1.169 0 A CA 1.688 53.797 52.037 0.120 0.000 0.635 0 A CB -0.610 18.436 19.000 0.076 0.000 0.810 0 A HN 0.393 nan 8.150 nan 0.000 0.446 1 A N -0.057 122.823 122.820 0.100 0.000 1.897 1 A HA 0.039 4.359 4.320 -0.000 0.000 0.215 1 A C 1.907 179.577 177.584 0.144 0.000 1.181 1 A CA 1.398 53.505 52.037 0.118 0.000 0.620 1 A CB -0.377 18.662 19.000 0.066 0.000 0.821 1 A HN 0.382 nan 8.150 nan 0.000 0.443 2 I N -0.291 120.342 120.570 0.105 0.000 2.493 2 I HA -0.152 4.018 4.170 -0.000 0.000 0.254 2 I C 2.339 178.517 176.117 0.101 0.000 1.160 2 I CA 0.931 62.285 61.300 0.090 0.000 1.445 2 I CB -1.286 36.762 38.000 0.079 0.000 1.086 2 I HN 0.341 nan 8.210 nan 0.000 0.433 3 L N 0.631 121.934 121.223 0.133 0.000 2.027 3 L HA -0.178 4.162 4.340 -0.000 0.000 0.206 3 L C 2.468 179.447 176.870 0.181 0.000 1.074 3 L CA 1.802 56.717 54.840 0.126 0.000 0.745 3 L CB -0.841 41.300 42.059 0.136 0.000 0.898 3 L HN 0.384 nan 8.230 nan 0.000 0.433 4 W N 0.274 121.592 121.300 0.030 0.000 2.363 4 W HA -0.237 4.423 4.660 -0.000 0.000 0.296 4 W C 2.062 178.594 176.519 0.021 0.000 1.212 4 W CA 1.387 58.749 57.345 0.029 0.000 1.260 4 W CB -0.118 29.358 29.460 0.027 0.000 1.131 4 W HN 0.331 nan 8.180 nan 0.000 0.530 5 N N 0.809 119.490 118.700 -0.032 0.000 2.084 5 N HA -0.193 4.547 4.740 -0.000 0.000 0.190 5 N C 1.502 176.917 175.510 -0.157 0.000 1.030 5 N CA 1.960 54.923 53.050 -0.145 0.000 0.849 5 N CB -0.844 37.632 38.487 -0.020 0.000 1.012 5 N HN 0.399 nan 8.380 nan 0.000 0.423 6 E N 0.846 121.003 120.200 -0.073 0.000 2.150 6 E HA -0.046 4.304 4.350 -0.000 0.000 0.193 6 E C 1.936 178.500 176.600 -0.060 0.000 0.985 6 E CA 0.819 57.189 56.400 -0.050 0.000 0.814 6 E CB -0.055 29.632 29.700 -0.022 0.000 0.752 6 E HN 0.335 nan 8.360 nan 0.000 0.466 7 A N 1.834 124.596 122.820 -0.096 0.000 1.933 7 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 7 A C 1.949 179.395 177.584 -0.231 0.000 1.175 7 A CA 1.426 53.408 52.037 -0.092 0.000 0.628 7 A CB -0.246 18.727 19.000 -0.045 0.000 0.814 7 A HN 0.055 nan 8.150 nan 0.000 0.444 8 K N -0.317 119.834 120.400 -0.414 0.000 2.057 8 K HA -0.007 4.313 4.320 -0.000 0.000 0.206 8 K C 2.278 178.720 176.600 -0.264 0.000 1.050 8 K CA 1.079 57.101 56.287 -0.442 0.000 0.935 8 K CB -0.295 31.866 32.500 -0.565 0.000 0.715 8 K HN 0.428 nan 8.250 nan 0.000 0.439 9 A N 0.943 123.660 122.820 -0.172 0.000 1.930 9 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 9 A C 1.957 179.516 177.584 -0.042 0.000 1.175 9 A CA 1.022 53.004 52.037 -0.092 0.000 0.627 9 A CB -0.516 18.456 19.000 -0.047 0.000 0.815 9 A HN 0.354 nan 8.150 nan 0.000 0.443 10 F N 0.686 120.535 119.950 -0.167 0.000 2.187 10 F HA -0.052 4.475 4.527 -0.000 0.000 0.295 10 F C 1.889 177.569 175.800 -0.200 0.000 1.091 10 F CA 0.892 58.803 58.000 -0.149 0.000 1.308 10 F CB -0.141 38.775 39.000 -0.140 0.000 1.030 10 F HN 0.103 nan 8.300 nan 0.000 0.487 11 I N 1.153 121.391 120.570 -0.554 0.000 2.113 11 I HA -0.261 3.909 4.170 -0.000 0.000 0.238 11 I C 2.813 178.563 176.117 -0.611 0.000 1.070 11 I CA 1.554 62.364 61.300 -0.817 0.000 1.332 11 I CB -2.095 35.461 38.000 -0.739 0.000 1.044 11 I HN 0.241 nan 8.210 nan 0.000 0.402 12 A N 0.492 123.086 122.820 -0.376 0.000 1.892 12 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 12 A C 2.263 179.761 177.584 -0.143 0.000 1.188 12 A CA 2.016 53.926 52.037 -0.212 0.000 0.631 12 A CB -0.707 18.197 19.000 -0.160 0.000 0.822 12 A HN 0.542 nan 8.150 nan 0.000 0.447 13 E N -1.538 118.565 120.200 -0.161 0.000 2.112 13 E HA -0.123 4.227 4.350 -0.000 0.000 0.190 13 E C 2.092 178.629 176.600 -0.105 0.000 0.979 13 E CA 0.855 57.196 56.400 -0.100 0.000 0.814 13 E CB -0.298 29.364 29.700 -0.062 0.000 0.762 13 E HN 0.665 nan 8.360 nan 0.000 0.460 14 C N 0.383 119.534 119.300 -0.247 0.000 2.446 14 C HA -0.131 4.329 4.460 -0.000 0.000 0.277 14 C C 2.427 177.406 174.990 -0.019 0.000 1.275 14 C CA 0.526 59.414 59.018 -0.216 0.000 1.727 14 C CB -0.910 26.434 27.740 -0.660 0.000 2.010 14 C HN 0.425 nan 8.230 nan 0.000 0.486 15 Y N 1.284 121.419 120.300 -0.275 0.000 2.352 15 Y HA 0.038 4.588 4.550 -0.000 0.000 0.292 15 Y C 2.599 178.419 175.900 -0.133 0.000 1.136 15 Y CA 0.978 58.961 58.100 -0.195 0.000 1.227 15 Y CB -1.169 37.181 38.460 -0.183 0.000 0.991 15 Y HN 0.404 nan 8.280 nan 0.000 0.545 16 A N -0.010 122.833 122.820 0.038 0.000 1.872 16 A HA -0.163 4.157 4.320 -0.000 0.000 0.214 16 A C 2.134 179.715 177.584 -0.006 0.000 1.187 16 A CA 1.560 53.599 52.037 0.003 0.000 0.614 16 A CB -0.569 18.426 19.000 -0.008 0.000 0.826 16 A HN 0.456 nan 8.150 nan 0.000 0.442 17 E N -0.074 120.128 120.200 0.004 0.000 2.110 17 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 17 E C 1.848 178.444 176.600 -0.006 0.000 0.988 17 E CA 1.183 57.600 56.400 0.028 0.000 0.804 17 E CB -0.290 29.458 29.700 0.080 0.000 0.745 17 E HN 0.622 nan 8.360 nan 0.000 0.458 18 L N -0.743 120.442 121.223 -0.063 0.000 2.217 18 L HA 0.024 4.364 4.340 -0.000 0.000 0.211 18 L C 1.526 178.320 176.870 -0.127 0.000 1.107 18 L CA 0.702 55.454 54.840 -0.147 0.000 0.783 18 L CB -0.171 41.730 42.059 -0.263 0.000 0.919 18 L HN 0.351 nan 8.230 nan 0.000 0.442 19 G N 0.013 108.757 108.800 -0.094 0.000 2.130 19 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.216 19 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.216 19 G C 0.320 175.158 174.900 -0.103 0.000 0.999 19 G CA -0.190 44.864 45.100 -0.078 0.000 0.686 19 G HN 0.189 nan 8.290 nan 0.000 0.515 20 K N -0.039 120.274 120.400 -0.147 0.000 2.726 20 K HA 0.628 4.948 4.320 -0.000 0.000 0.209 20 K C 1.747 178.310 176.600 -0.062 0.000 1.082 20 K CA 0.277 56.450 56.287 -0.190 0.000 1.081 20 K CB 0.501 32.726 32.500 -0.457 0.000 0.830 20 K HN 0.585 nan 8.250 nan 0.000 0.470 21 A N 1.226 124.044 122.820 -0.004 0.000 2.131 21 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 21 A C 1.570 179.182 177.584 0.047 0.000 1.158 21 A CA 1.528 53.591 52.037 0.044 0.000 0.665 21 A CB -0.185 18.823 19.000 0.012 0.000 0.795 21 A HN 0.398 nan 8.150 nan 0.000 0.460 22 E N 0.044 120.259 120.200 0.027 0.000 2.385 22 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 22 E C 1.390 178.022 176.600 0.054 0.000 1.013 22 E CA 0.867 57.284 56.400 0.028 0.000 0.866 22 E CB -0.190 29.514 29.700 0.007 0.000 0.832 22 E HN 0.725 nan 8.360 nan 0.000 0.500 23 E N 0.778 121.029 120.200 0.085 0.000 2.435 23 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 23 E C 1.603 178.350 176.600 0.245 0.000 1.029 23 E CA 0.235 56.721 56.400 0.143 0.000 0.865 23 E CB 0.197 29.941 29.700 0.074 0.000 0.833 23 E HN 0.093 nan 8.360 nan 0.000 0.510 24 V N 1.815 121.859 119.914 0.216 0.000 2.231 24 V HA -0.356 3.764 4.120 -0.000 0.000 0.248 24 V C 2.476 178.575 176.094 0.008 0.000 1.054 24 V CA 2.146 64.470 62.300 0.040 0.000 1.015 24 V CB -0.921 30.888 31.823 -0.022 0.000 0.638 24 V HN 0.340 nan 8.190 nan 0.000 0.444 25 A N 0.288 123.128 122.820 0.034 0.000 1.884 25 A HA -0.332 3.988 4.320 -0.000 0.000 0.219 25 A C 1.986 179.610 177.584 0.065 0.000 1.197 25 A CA 2.477 54.539 52.037 0.043 0.000 0.637 25 A CB -0.874 18.151 19.000 0.042 0.000 0.827 25 A HN 0.601 nan 8.150 nan 0.000 0.450 26 D N -1.220 119.226 120.400 0.075 0.000 2.117 26 D HA -0.106 4.534 4.640 -0.000 0.000 0.198 26 D C 2.136 178.500 176.300 0.107 0.000 0.982 26 D CA 1.367 55.420 54.000 0.087 0.000 0.828 26 D CB -0.320 40.530 40.800 0.084 0.000 0.967 26 D HN 0.286 nan 8.370 nan 0.000 0.464 27 R N 0.489 121.054 120.500 0.108 0.000 2.075 27 R HA 0.082 4.422 4.340 -0.000 0.000 0.232 27 R C 2.369 178.716 176.300 0.078 0.000 1.126 27 R CA 0.552 56.714 56.100 0.103 0.000 0.963 27 R CB -0.702 29.649 30.300 0.084 0.000 0.858 27 R HN 0.176 nan 8.270 nan 0.000 0.435 28 L N 0.371 121.620 121.223 0.043 0.000 2.131 28 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 28 L C 1.346 178.395 176.870 0.300 0.000 1.092 28 L CA 1.243 56.150 54.840 0.112 0.000 0.759 28 L CB -0.418 41.652 42.059 0.019 0.000 0.903 28 L HN 0.214 nan 8.230 nan 0.000 0.435 29 D N -0.671 119.852 120.400 0.205 0.000 2.144 29 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 29 D C 2.336 178.738 176.300 0.169 0.000 0.978 29 D CA 1.169 55.276 54.000 0.178 0.000 0.833 29 D CB 0.026 40.896 40.800 0.117 0.000 0.961 29 D HN 0.162 nan 8.370 nan 0.000 0.470 30 S N 0.255 116.072 115.700 0.194 0.000 2.406 30 S HA 0.009 4.479 4.470 -0.000 0.000 0.228 30 S C 2.161 176.979 174.600 0.364 0.000 1.020 30 S CA 0.247 58.587 58.200 0.233 0.000 0.965 30 S CB 0.049 63.405 63.200 0.259 0.000 0.798 30 S HN 0.275 nan 8.310 nan 0.000 0.488 31 I N 1.257 122.061 120.570 0.390 0.000 2.315 31 I HA -0.142 4.028 4.170 -0.000 0.000 0.248 31 I C 2.465 178.821 176.117 0.399 0.000 1.117 31 I CA 0.987 62.576 61.300 0.481 0.000 1.404 31 I CB -0.224 37.974 38.000 0.331 0.000 1.071 31 I HN 0.160 nan 8.210 nan 0.000 0.419 32 K N 1.404 121.930 120.400 0.210 0.000 2.026 32 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 32 K C 2.148 178.674 176.600 -0.123 0.000 1.048 32 K CA 1.831 57.956 56.287 -0.271 0.000 0.929 32 K CB -0.366 31.832 32.500 -0.503 0.000 0.713 32 K HN 0.079 nan 8.250 nan 0.000 0.439 33 S N 1.002 116.690 115.700 -0.020 0.000 2.399 33 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 33 S C 1.559 176.151 174.600 -0.013 0.000 1.022 33 S CA 1.129 59.316 58.200 -0.021 0.000 0.983 33 S CB -0.240 62.964 63.200 0.007 0.000 0.803 33 S HN 0.354 nan 8.310 nan 0.000 0.480 34 E N 1.029 121.248 120.200 0.030 0.000 2.072 34 E HA 0.003 4.352 4.350 -0.000 0.000 0.190 34 E C 2.063 178.658 176.600 -0.008 0.000 0.982 34 E CA 0.673 57.055 56.400 -0.031 0.000 0.803 34 E CB -0.280 29.344 29.700 -0.128 0.000 0.755 34 E HN 0.512 nan 8.360 nan 0.000 0.453 35 I N 1.882 122.482 120.570 0.050 0.000 2.226 35 I HA -0.255 3.915 4.170 -0.000 0.000 0.245 35 I C 1.824 177.933 176.117 -0.014 0.000 1.100 35 I CA 1.132 62.456 61.300 0.040 0.000 1.374 35 I CB -0.264 37.778 38.000 0.070 0.000 1.057 35 I HN -0.046 nan 8.210 nan 0.000 0.413 36 D N 0.742 121.112 120.400 -0.049 0.000 2.149 36 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 36 D C 2.158 178.433 176.300 -0.041 0.000 0.972 36 D CA 0.987 54.953 54.000 -0.057 0.000 0.835 36 D CB -0.128 40.622 40.800 -0.083 0.000 0.966 36 D HN 0.310 nan 8.370 nan 0.000 0.476 37 L N 0.639 121.838 121.223 -0.041 0.000 1.982 37 L HA -0.148 4.192 4.340 -0.000 0.000 0.206 37 L C 2.479 179.327 176.870 -0.037 0.000 1.078 37 L CA 1.917 56.733 54.840 -0.040 0.000 0.749 37 L CB -0.464 41.566 42.059 -0.048 0.000 0.894 37 L HN 0.137 nan 8.230 nan 0.000 0.436 38 T N -3.977 110.551 114.554 -0.043 0.000 2.896 38 T HA 0.249 4.598 4.350 -0.000 0.000 0.238 38 T C 1.248 175.935 174.700 -0.022 0.000 1.045 38 T CA 0.627 62.704 62.100 -0.039 0.000 1.248 38 T CB 0.023 68.855 68.868 -0.059 0.000 0.955 38 T HN 0.447 nan 8.240 nan 0.000 0.416 39 G N -0.562 108.230 108.800 -0.014 0.000 4.226 39 G HA2 0.326 4.286 3.960 -0.000 0.000 0.220 39 G HA3 0.326 4.286 3.960 -0.000 0.000 0.220 39 G C 0.118 175.031 174.900 0.023 0.000 0.817 39 G CA 0.581 45.685 45.100 0.005 0.000 0.879 39 G HN 0.887 nan 8.290 nan 0.000 0.669 40 S N -1.822 113.889 115.700 0.019 0.000 2.815 40 S HA 0.737 5.206 4.470 -0.000 0.000 0.296 40 S C -2.040 172.597 174.600 0.061 0.000 1.224 40 S CA -0.451 57.779 58.200 0.050 0.000 0.938 40 S CB 0.903 64.111 63.200 0.013 0.000 1.285 40 S HN 0.596 nan 8.310 nan 0.000 0.549 41 Y N -0.229 120.030 120.300 -0.068 0.000 2.630 41 Y HA 0.712 5.262 4.550 -0.000 0.000 0.337 41 Y C -0.279 175.536 175.900 -0.141 0.000 1.051 41 Y CA -0.483 57.519 58.100 -0.163 0.000 1.121 41 Y CB 1.917 40.148 38.460 -0.381 0.000 1.299 41 Y HN 0.352 nan 8.280 nan 0.000 0.498 42 V N 3.918 123.763 119.914 -0.115 0.000 2.699 42 V HA 0.313 4.433 4.120 -0.000 0.000 0.311 42 V C -0.941 175.327 176.094 0.290 0.000 1.160 42 V CA -0.148 62.180 62.300 0.048 0.000 1.313 42 V CB -1.197 30.572 31.823 -0.092 0.000 1.553 42 V HN 0.799 nan 8.190 nan 0.000 0.630 43 H N 1.791 121.186 119.070 0.543 0.000 2.964 43 H HA 0.271 4.826 4.556 -0.000 0.000 0.328 43 H C 1.050 176.544 175.328 0.277 0.000 1.030 43 H CA 0.972 57.253 56.048 0.389 0.000 1.445 43 H CB 0.867 30.791 29.762 0.270 0.000 1.449 43 H HN 0.532 nan 8.280 nan 0.000 0.581 44 T N 2.324 117.095 114.554 0.362 0.000 2.946 44 T HA 0.046 4.395 4.350 -0.000 0.000 0.295 44 T C 1.572 176.387 174.700 0.192 0.000 1.143 44 T CA -1.068 61.171 62.100 0.232 0.000 0.944 44 T CB 0.628 69.602 68.868 0.176 0.000 1.800 44 T HN 0.446 nan 8.240 nan 0.000 0.590 45 K N 0.941 121.422 120.400 0.135 0.000 2.074 45 K HA -0.156 4.164 4.320 -0.000 0.000 0.209 45 K C 2.247 178.939 176.600 0.153 0.000 1.048 45 K CA 1.584 57.939 56.287 0.113 0.000 0.926 45 K CB -0.529 32.016 32.500 0.075 0.000 0.713 45 K HN 0.688 nan 8.250 nan 0.000 0.444 46 E N 0.943 121.236 120.200 0.155 0.000 2.038 46 E HA -0.209 4.141 4.350 -0.000 0.000 0.195 46 E C 1.860 178.602 176.600 0.238 0.000 1.000 46 E CA 1.767 58.268 56.400 0.169 0.000 0.803 46 E CB 0.046 29.778 29.700 0.053 0.000 0.750 46 E HN 0.472 nan 8.360 nan 0.000 0.448 47 E N 0.423 120.758 120.200 0.226 0.000 2.072 47 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 47 E C 2.269 179.113 176.600 0.408 0.000 0.982 47 E CA 0.778 57.352 56.400 0.290 0.000 0.803 47 E CB -0.398 29.440 29.700 0.230 0.000 0.755 47 E HN 0.286 nan 8.360 nan 0.000 0.453 48 L N 1.822 123.207 121.223 0.270 0.000 2.275 48 L HA -0.077 4.263 4.340 -0.000 0.000 0.215 48 L C 2.178 179.105 176.870 0.095 0.000 1.119 48 L CA 1.738 56.656 54.840 0.131 0.000 0.790 48 L CB -0.426 41.650 42.059 0.027 0.000 0.919 48 L HN 0.226 nan 8.230 nan 0.000 0.443 49 E N -1.168 119.125 120.200 0.155 0.000 2.014 49 E HA -0.205 4.145 4.350 -0.000 0.000 0.190 49 E C 1.549 178.208 176.600 0.097 0.000 0.980 49 E CA 0.880 57.332 56.400 0.086 0.000 0.807 49 E CB -0.208 29.533 29.700 0.069 0.000 0.770 49 E HN 0.633 nan 8.360 nan 0.000 0.451 50 H N -1.015 118.151 119.070 0.160 0.000 2.562 50 H HA 0.129 4.685 4.556 -0.000 0.000 0.272 50 H C 1.244 176.734 175.328 0.271 0.000 1.019 50 H CA 0.813 56.981 56.048 0.201 0.000 1.160 50 H CB 0.307 30.158 29.762 0.148 0.000 1.334 50 H HN 0.286 nan 8.280 nan 0.000 0.611 51 G N -0.696 108.337 108.800 0.388 0.000 2.784 51 G HA2 0.121 4.081 3.960 -0.000 0.000 0.208 51 G HA3 0.121 4.081 3.960 -0.000 0.000 0.208 51 G C 1.589 176.604 174.900 0.191 0.000 1.120 51 G CA 0.413 45.772 45.100 0.431 0.000 0.774 51 G HN 0.438 nan 8.290 nan 0.000 0.528 52 A N 0.704 123.615 122.820 0.152 0.000 2.081 52 A HA 0.280 4.599 4.320 -0.000 0.000 0.214 52 A C 2.132 179.874 177.584 0.263 0.000 1.158 52 A CA 1.115 53.229 52.037 0.128 0.000 0.724 52 A CB -0.058 18.988 19.000 0.077 0.000 0.826 52 A HN 0.284 nan 8.150 nan 0.000 0.463 53 K N -0.103 120.471 120.400 0.289 0.000 2.044 53 K HA -0.074 4.246 4.320 -0.000 0.000 0.204 53 K C 2.143 178.983 176.600 0.399 0.000 1.049 53 K CA 1.698 58.237 56.287 0.421 0.000 0.945 53 K CB -0.342 32.391 32.500 0.389 0.000 0.724 53 K HN 0.730 nan 8.250 nan 0.000 0.440 54 M N -0.603 119.160 119.600 0.272 0.000 2.319 54 M HA 0.111 4.591 4.480 -0.000 0.000 0.265 54 M C 2.062 178.377 176.300 0.025 0.000 1.068 54 M CA 1.566 56.880 55.300 0.023 0.000 1.118 54 M CB -0.218 32.416 32.600 0.057 0.000 1.395 54 M HN -0.036 nan 8.290 nan 0.000 0.435 55 A N 0.043 122.935 122.820 0.121 0.000 2.067 55 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 55 A C 1.878 179.636 177.584 0.291 0.000 1.158 55 A CA 1.188 53.273 52.037 0.081 0.000 0.661 55 A CB -1.048 17.902 19.000 -0.083 0.000 0.801 55 A HN 0.914 nan 8.150 nan 0.000 0.452 56 W N 0.577 121.936 121.300 0.098 0.000 2.588 56 W HA 0.086 4.746 4.660 -0.000 0.000 0.277 56 W C 2.001 178.444 176.519 -0.128 0.000 1.221 56 W CA 0.742 58.069 57.345 -0.030 0.000 1.355 56 W CB -0.438 28.980 29.460 -0.070 0.000 1.083 56 W HN 0.305 nan 8.180 nan 0.000 0.581 57 R N 0.668 121.042 120.500 -0.209 0.000 2.193 57 R HA -0.156 4.184 4.340 -0.000 0.000 0.229 57 R C 1.148 177.338 176.300 -0.184 0.000 1.110 57 R CA 1.717 57.520 56.100 -0.495 0.000 0.988 57 R CB -0.383 29.340 30.300 -0.962 0.000 0.871 57 R HN 0.057 nan 8.270 nan 0.000 0.458 58 N N -0.145 118.501 118.700 -0.089 0.000 2.392 58 N HA 0.008 4.748 4.740 -0.000 0.000 0.177 58 N C -0.268 175.237 175.510 -0.008 0.000 1.066 58 N CA 0.356 53.386 53.050 -0.033 0.000 0.895 58 N CB 0.492 38.959 38.487 -0.034 0.000 0.988 58 N HN -0.050 nan 8.380 nan 0.000 0.457 59 S N 1.575 117.281 115.700 0.011 0.000 2.671 59 S HA 0.045 4.515 4.470 -0.000 0.000 0.331 59 S C 1.712 176.289 174.600 -0.038 0.000 1.182 59 S CA 0.308 58.495 58.200 -0.022 0.000 1.276 59 S CB -0.862 62.327 63.200 -0.018 0.000 1.360 59 S HN 0.503 nan 8.310 nan 0.000 0.563 60 N N 4.246 122.921 118.700 -0.041 0.000 2.027 60 N HA -0.264 4.476 4.740 -0.000 0.000 0.200 60 N C 1.540 177.021 175.510 -0.048 0.000 1.042 60 N CA 2.020 55.062 53.050 -0.013 0.000 0.871 60 N CB -0.922 37.555 38.487 -0.017 0.000 1.063 60 N HN 0.839 nan 8.380 nan 0.000 0.438 61 R N -0.659 119.775 120.500 -0.110 0.000 2.389 61 R HA 0.217 4.556 4.340 -0.000 0.000 0.210 61 R C 0.224 176.480 176.300 -0.072 0.000 1.157 61 R CA 0.126 56.178 56.100 -0.081 0.000 1.169 61 R CB -1.537 28.645 30.300 -0.196 0.000 1.004 61 R HN 0.534 nan 8.270 nan 0.000 0.482 62 C N 0.744 119.964 119.300 -0.135 0.000 2.351 62 C HA 0.444 4.904 4.460 -0.000 0.000 0.326 62 C C 1.259 176.034 174.990 -0.359 0.000 1.272 62 C CA -0.888 58.035 59.018 -0.157 0.000 1.650 62 C CB 0.423 28.127 27.740 -0.060 0.000 2.257 62 C HN 0.536 nan 8.230 nan 0.000 0.505 63 I N 4.102 124.446 120.570 -0.376 0.000 3.035 63 I HA 0.226 4.396 4.170 -0.000 0.000 0.271 63 I C 2.314 178.253 176.117 -0.297 0.000 1.190 63 I CA 1.048 61.980 61.300 -0.612 0.000 1.472 63 I CB -0.474 37.291 38.000 -0.392 0.000 1.116 63 I HN 0.853 nan 8.210 nan 0.000 0.443 64 G N 0.821 109.561 108.800 -0.101 0.000 3.414 64 G HA2 0.019 3.979 3.960 -0.000 0.000 0.258 64 G HA3 0.019 3.979 3.960 -0.000 0.000 0.258 64 G C 1.337 176.208 174.900 -0.049 0.000 1.348 64 G CA -0.274 44.859 45.100 0.055 0.000 1.319 64 G HN 0.191 nan 8.290 nan 0.000 0.555 65 R N -0.870 119.397 120.500 -0.390 0.000 2.189 65 R HA 0.002 4.342 4.340 -0.000 0.000 0.218 65 R C 2.889 178.518 176.300 -1.119 0.000 1.074 65 R CA 0.951 56.485 56.100 -0.944 0.000 0.991 65 R CB -0.280 29.287 30.300 -1.221 0.000 0.883 65 R HN 0.456 nan 8.270 nan 0.000 0.457 66 L N -0.406 120.331 121.223 -0.810 0.000 2.083 66 L HA -0.085 4.254 4.340 -0.000 0.000 0.209 66 L C 2.012 178.637 176.870 -0.408 0.000 1.083 66 L CA 1.781 56.341 54.840 -0.468 0.000 0.752 66 L CB -1.438 40.333 42.059 -0.479 0.000 0.899 66 L HN 0.082 nan 8.230 nan 0.000 0.433 67 F N 0.409 120.230 119.950 -0.214 0.000 2.788 67 F HA 0.059 4.586 4.527 -0.000 0.000 0.300 67 F C 1.321 176.819 175.800 -0.504 0.000 1.229 67 F CA -0.953 56.938 58.000 -0.181 0.000 1.446 67 F CB -1.112 37.932 39.000 0.073 0.000 1.118 67 F HN 0.667 nan 8.300 nan 0.000 0.579 68 W N 0.950 121.699 121.300 -0.919 0.000 2.216 68 W HA 0.200 4.859 4.660 -0.000 0.000 0.326 68 W C 0.461 176.809 176.519 -0.285 0.000 1.319 68 W CA -0.955 55.788 57.345 -1.004 0.000 1.213 68 W CB -0.103 28.781 29.460 -0.959 0.000 1.171 68 W HN 0.360 nan 8.180 nan 0.000 0.557 69 N N 1.987 120.540 118.700 -0.245 0.000 2.753 69 N HA -0.217 4.523 4.740 -0.000 0.000 0.252 69 N C -0.949 174.412 175.510 -0.247 0.000 1.071 69 N CA 1.072 53.909 53.050 -0.355 0.000 0.690 69 N CB -0.989 36.971 38.487 -0.878 0.000 0.906 69 N HN 0.710 nan 8.380 nan 0.000 0.552 70 S N -0.356 115.320 115.700 -0.041 0.000 2.739 70 S HA 0.619 5.089 4.470 -0.000 0.000 0.306 70 S C 0.565 175.181 174.600 0.027 0.000 1.115 70 S CA -1.141 57.071 58.200 0.020 0.000 0.985 70 S CB 1.477 64.761 63.200 0.140 0.000 1.133 70 S HN 0.374 nan 8.310 nan 0.000 0.541 71 L N 1.571 122.814 121.223 0.034 0.000 2.484 71 L HA -0.016 4.324 4.340 -0.000 0.000 0.297 71 L C 0.092 176.978 176.870 0.027 0.000 1.292 71 L CA 0.497 55.352 54.840 0.024 0.000 0.827 71 L CB 0.009 42.085 42.059 0.029 0.000 1.077 71 L HN 0.998 nan 8.230 nan 0.000 0.560 72 N N 1.072 119.782 118.700 0.017 0.000 2.607 72 N HA 0.162 4.902 4.740 -0.000 0.000 0.271 72 N C -0.192 175.326 175.510 0.013 0.000 1.142 72 N CA -0.620 52.439 53.050 0.014 0.000 0.810 72 N CB 1.496 39.986 38.487 0.005 0.000 1.306 72 N HN 0.247 nan 8.380 nan 0.000 0.536 73 V N 1.259 121.182 119.914 0.015 0.000 2.535 73 V HA 0.203 4.323 4.120 -0.000 0.000 0.246 73 V C 0.506 176.609 176.094 0.016 0.000 1.045 73 V CA 1.048 63.356 62.300 0.013 0.000 1.058 73 V CB -0.416 31.413 31.823 0.009 0.000 0.689 73 V HN 0.628 nan 8.190 nan 0.000 0.461 74 I N -1.527 119.048 120.570 0.009 0.000 2.882 74 I HA 0.464 4.633 4.170 -0.000 0.000 0.298 74 I C -0.279 175.831 176.117 -0.012 0.000 1.462 74 I CA -0.028 61.275 61.300 0.006 0.000 1.000 74 I CB 2.530 40.522 38.000 -0.014 0.000 1.340 74 I HN -0.134 nan 8.210 nan 0.000 0.462 75 D N 0.564 120.944 120.400 -0.033 0.000 2.203 75 D HA 0.124 4.764 4.640 -0.000 0.000 0.086 75 D C -0.852 175.401 176.300 -0.078 0.000 1.493 75 D CA 0.127 54.102 54.000 -0.041 0.000 1.159 75 D CB 0.739 41.534 40.800 -0.007 0.000 2.735 75 D HN 0.397 nan 8.370 nan 0.000 0.214 76 R N 1.899 122.360 120.500 -0.066 0.000 2.295 76 R HA 0.666 5.006 4.340 -0.000 0.000 0.324 76 R C -0.205 176.030 176.300 -0.108 0.000 0.968 76 R CA -0.463 55.586 56.100 -0.085 0.000 0.837 76 R CB 2.016 32.284 30.300 -0.053 0.000 1.133 76 R HN 0.115 nan 8.270 nan 0.000 0.450 77 R N 0.776 121.175 120.500 -0.168 0.000 2.923 77 R HA 0.397 4.737 4.340 -0.000 0.000 0.252 77 R C -0.895 175.279 176.300 -0.210 0.000 1.130 77 R CA -0.637 55.352 56.100 -0.185 0.000 1.043 77 R CB 1.564 31.722 30.300 -0.238 0.000 1.205 77 R HN 0.626 nan 8.270 nan 0.000 0.495 78 D N -0.424 119.858 120.400 -0.196 0.000 2.525 78 D HA 0.108 4.748 4.640 -0.000 0.000 0.249 78 D C 1.054 177.236 176.300 -0.195 0.000 1.072 78 D CA -0.272 53.629 54.000 -0.165 0.000 1.067 78 D CB 2.081 42.836 40.800 -0.075 0.000 1.282 78 D HN 0.303 nan 8.370 nan 0.000 0.587 79 V N 0.322 120.189 119.914 -0.079 0.000 2.515 79 V HA -0.087 4.033 4.120 -0.000 0.000 0.250 79 V C 1.821 177.940 176.094 0.041 0.000 1.058 79 V CA 1.539 63.856 62.300 0.028 0.000 1.064 79 V CB -0.173 31.721 31.823 0.118 0.000 0.675 79 V HN 0.434 nan 8.190 nan 0.000 0.461 80 R N 0.096 120.599 120.500 0.005 0.000 1.583 80 R HA 0.040 4.380 4.340 -0.000 0.000 0.125 80 R C 1.534 177.823 176.300 -0.019 0.000 0.977 80 R CA 1.615 57.719 56.100 0.006 0.000 1.738 80 R CB -0.577 29.725 30.300 0.004 0.000 0.679 80 R HN 0.483 nan 8.270 nan 0.000 0.652 81 T N 0.261 114.791 114.554 -0.040 0.000 6.885 81 T HA -0.225 4.125 4.350 -0.000 0.000 0.286 81 T C 0.441 175.117 174.700 -0.040 0.000 2.119 81 T CA 1.548 63.609 62.100 -0.064 0.000 3.358 81 T CB -1.046 67.754 68.868 -0.114 0.000 1.764 81 T HN 0.707 nan 8.240 nan 0.000 1.202 82 K N -1.150 119.241 120.400 -0.014 0.000 3.870 82 K HA -0.208 4.112 4.320 -0.000 0.000 0.370 82 K C -0.134 176.469 176.600 0.005 0.000 0.607 82 K CA 2.159 58.445 56.287 -0.002 0.000 1.617 82 K CB -0.895 31.602 32.500 -0.004 0.000 1.221 82 K HN 0.503 nan 8.250 nan 0.000 0.485 83 E N 2.752 122.950 120.200 -0.002 0.000 2.290 83 E HA 0.098 4.448 4.350 -0.000 0.000 0.277 83 E C -0.037 176.578 176.600 0.025 0.000 1.035 83 E CA 0.211 56.616 56.400 0.009 0.000 0.873 83 E CB 0.592 30.294 29.700 0.003 0.000 1.029 83 E HN 0.111 nan 8.360 nan 0.000 0.419 84 D N 1.460 121.875 120.400 0.024 0.000 2.393 84 D HA -0.006 4.633 4.640 -0.000 0.000 0.246 84 D C 1.745 178.047 176.300 0.004 0.000 1.275 84 D CA -0.408 53.610 54.000 0.030 0.000 0.979 84 D CB 0.779 41.591 40.800 0.021 0.000 1.101 84 D HN 0.027 nan 8.370 nan 0.000 0.505 85 V N 0.744 120.619 119.914 -0.065 0.000 2.252 85 V HA -0.305 3.815 4.120 -0.000 0.000 0.255 85 V C 2.523 178.378 176.094 -0.398 0.000 1.071 85 V CA 2.116 64.210 62.300 -0.345 0.000 1.050 85 V CB -0.696 30.690 31.823 -0.728 0.000 0.654 85 V HN 0.570 nan 8.190 nan 0.000 0.448 86 R N 0.074 120.467 120.500 -0.178 0.000 2.159 86 R HA -0.199 4.141 4.340 -0.000 0.000 0.237 86 R C 1.694 177.618 176.300 -0.627 0.000 1.131 86 R CA 2.321 58.306 56.100 -0.193 0.000 0.982 86 R CB -0.513 29.786 30.300 -0.002 0.000 0.868 86 R HN 0.619 nan 8.270 nan 0.000 0.453 87 D N -0.772 119.445 120.400 -0.306 0.000 2.338 87 D HA 0.147 4.787 4.640 -0.000 0.000 0.208 87 D C 1.541 177.840 176.300 -0.001 0.000 0.997 87 D CA 0.900 54.797 54.000 -0.170 0.000 0.880 87 D CB 0.315 41.117 40.800 0.002 0.000 0.980 87 D HN 0.289 nan 8.370 nan 0.000 0.509 88 A N 0.172 123.005 122.820 0.021 0.000 1.968 88 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 88 A C 1.944 179.651 177.584 0.205 0.000 1.169 88 A CA 0.694 52.805 52.037 0.123 0.000 0.638 88 A CB -0.542 18.575 19.000 0.195 0.000 0.812 88 A HN 0.219 nan 8.150 nan 0.000 0.446 89 L N -1.365 119.938 121.223 0.133 0.000 2.465 89 L HA -0.039 4.301 4.340 -0.000 0.000 0.224 89 L C 1.990 179.033 176.870 0.288 0.000 1.145 89 L CA 0.304 55.247 54.840 0.172 0.000 0.834 89 L CB -0.328 41.726 42.059 -0.009 0.000 0.944 89 L HN 0.289 nan 8.230 nan 0.000 0.451 90 F N -0.903 119.134 119.950 0.145 0.000 2.219 90 F HA -0.101 4.426 4.527 0.000 0.000 0.294 90 F C 2.658 178.540 175.800 0.136 0.000 1.086 90 F CA 0.918 58.990 58.000 0.120 0.000 1.330 90 F CB -1.030 38.038 39.000 0.113 0.000 1.047 90 F HN 0.171 nan 8.300 nan 0.000 0.495 91 H N -0.811 118.423 119.070 0.274 0.000 2.353 91 H HA -0.211 4.345 4.556 -0.000 0.000 0.300 91 H C 2.266 177.689 175.328 0.158 0.000 1.090 91 H CA 2.211 58.354 56.048 0.158 0.000 1.327 91 H CB -0.466 29.351 29.762 0.091 0.000 1.383 91 H HN 0.373 nan 8.280 nan 0.000 0.508 92 H N -0.280 118.859 119.070 0.115 0.000 2.319 92 H HA -0.176 4.380 4.556 -0.000 0.000 0.297 92 H C 2.674 177.985 175.328 -0.028 0.000 1.097 92 H CA 2.132 58.193 56.048 0.021 0.000 1.285 92 H CB -0.096 29.697 29.762 0.052 0.000 1.368 92 H HN 0.346 nan 8.280 nan 0.000 0.495 93 I N 0.707 121.371 120.570 0.157 0.000 2.076 93 I HA -0.252 3.918 4.170 -0.000 0.000 0.237 93 I C 2.253 178.383 176.117 0.022 0.000 1.059 93 I CA 2.458 63.786 61.300 0.045 0.000 1.317 93 I CB -1.498 36.529 38.000 0.046 0.000 1.037 93 I HN 0.575 nan 8.210 nan 0.000 0.398 94 E N 0.148 120.349 120.200 0.002 0.000 2.026 94 E HA -0.327 4.022 4.350 -0.000 0.000 0.206 94 E C 2.401 178.950 176.600 -0.085 0.000 1.028 94 E CA 2.635 59.009 56.400 -0.043 0.000 0.845 94 E CB -0.545 29.126 29.700 -0.049 0.000 0.772 94 E HN 0.735 nan 8.360 nan 0.000 0.462 95 T N -0.207 114.219 114.554 -0.213 0.000 2.802 95 T HA -0.151 4.199 4.350 -0.000 0.000 0.269 95 T C 1.750 176.401 174.700 -0.081 0.000 1.062 95 T CA 2.355 64.314 62.100 -0.235 0.000 1.133 95 T CB -0.538 68.014 68.868 -0.527 0.000 0.852 95 T HN 0.298 nan 8.240 nan 0.000 0.485 96 A N 0.224 123.039 122.820 -0.009 0.000 2.081 96 A HA 0.235 4.555 4.320 -0.000 0.000 0.214 96 A C 2.594 180.201 177.584 0.039 0.000 1.158 96 A CA 1.801 53.867 52.037 0.048 0.000 0.724 96 A CB -0.403 18.672 19.000 0.123 0.000 0.826 96 A HN 0.440 nan 8.150 nan 0.000 0.463 97 T N -0.090 114.478 114.554 0.023 0.000 2.812 97 T HA -0.062 4.288 4.350 -0.000 0.000 0.264 97 T C 1.001 175.716 174.700 0.024 0.000 1.042 97 T CA 1.043 63.163 62.100 0.033 0.000 1.140 97 T CB -0.390 68.492 68.868 0.023 0.000 0.870 97 T HN 0.650 nan 8.240 nan 0.000 0.445 98 N N 1.557 120.258 118.700 0.003 0.000 2.714 98 N HA -0.285 4.454 4.740 -0.000 0.000 0.252 98 N C 0.196 175.704 175.510 -0.002 0.000 1.014 98 N CA 1.022 54.069 53.050 -0.004 0.000 0.735 98 N CB -1.922 36.566 38.487 0.002 0.000 0.924 98 N HN 0.690 nan 8.380 nan 0.000 0.540 99 N N -3.705 114.993 118.700 -0.002 0.000 2.886 99 N HA -0.291 4.449 4.740 -0.000 0.000 0.223 99 N C 1.058 176.567 175.510 -0.001 0.000 0.828 99 N CA 1.712 54.760 53.050 -0.004 0.000 1.180 99 N CB -1.314 37.168 38.487 -0.009 0.000 0.972 99 N HN 0.729 nan 8.380 nan 0.000 0.616 100 G N -0.578 108.224 108.800 0.003 0.000 3.989 100 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.183 100 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.183 100 G C -0.453 174.448 174.900 0.002 0.000 0.892 100 G CA -0.007 45.097 45.100 0.005 0.000 0.914 100 G HN 0.202 nan 8.290 nan 0.000 0.347 101 K N 2.699 123.089 120.400 -0.016 0.000 2.228 101 K HA 0.449 4.768 4.320 -0.000 0.000 0.284 101 K C 0.243 176.845 176.600 0.003 0.000 1.088 101 K CA -0.498 55.767 56.287 -0.037 0.000 0.941 101 K CB -0.825 31.647 32.500 -0.047 0.000 1.158 101 K HN 0.286 nan 8.250 nan 0.000 0.438 102 I N 4.169 124.759 120.570 0.033 0.000 2.662 102 I HA -0.015 4.155 4.170 -0.000 0.000 0.285 102 I C 0.590 176.818 176.117 0.185 0.000 1.161 102 I CA -0.003 61.370 61.300 0.122 0.000 1.415 102 I CB 0.315 38.438 38.000 0.206 0.000 1.385 102 I HN 0.419 nan 8.210 nan 0.000 0.552 103 R N 9.703 130.279 120.500 0.127 0.000 2.287 103 R HA 0.393 4.733 4.340 -0.000 0.000 0.316 103 R C -2.657 173.687 176.300 0.074 0.000 1.050 103 R CA -2.316 53.853 56.100 0.115 0.000 0.983 103 R CB 0.586 30.921 30.300 0.058 0.000 1.140 103 R HN 0.168 nan 8.270 nan 0.000 0.528 104 P HA 0.012 nan 4.420 nan 0.000 0.256 104 P C -0.945 176.310 177.300 -0.076 0.000 1.189 104 P CA 0.744 63.780 63.100 -0.106 0.000 0.808 104 P CB 0.683 32.208 31.700 -0.292 0.000 0.793 105 S N 3.008 118.709 115.700 0.001 0.000 2.726 105 S HA 0.758 5.228 4.470 -0.000 0.000 0.308 105 S C -0.317 174.331 174.600 0.081 0.000 1.115 105 S CA -0.769 57.437 58.200 0.010 0.000 0.965 105 S CB 1.411 64.586 63.200 -0.041 0.000 1.145 105 S HN 0.373 nan 8.310 nan 0.000 0.532 106 I N 0.923 121.456 120.570 -0.063 0.000 2.710 106 I HA 0.347 4.517 4.170 -0.000 0.000 0.290 106 I C -1.677 174.337 176.117 -0.172 0.000 1.318 106 I CA -0.067 61.246 61.300 0.022 0.000 1.045 106 I CB 1.997 40.058 38.000 0.101 0.000 1.307 106 I HN 0.552 nan 8.210 nan 0.000 0.424 107 T N 7.820 122.270 114.554 -0.175 0.000 2.786 107 T HA 0.504 4.854 4.350 -0.000 0.000 0.283 107 T C -0.220 174.266 174.700 -0.357 0.000 0.992 107 T CA -0.371 61.512 62.100 -0.361 0.000 0.954 107 T CB 1.079 69.635 68.868 -0.521 0.000 0.934 107 T HN 0.239 nan 8.240 nan 0.000 0.440 108 I N 4.930 125.295 120.570 -0.341 0.000 2.269 108 I HA 0.312 4.482 4.170 -0.000 0.000 0.293 108 I C 0.086 176.072 176.117 -0.219 0.000 1.106 108 I CA -0.667 60.485 61.300 -0.247 0.000 1.248 108 I CB -1.097 36.724 38.000 -0.298 0.000 1.444 108 I HN 0.482 nan 8.210 nan 0.000 0.497 109 F N 6.955 126.932 119.950 0.045 0.000 2.284 109 F HA 0.386 4.913 4.527 -0.000 0.000 0.297 109 F C -1.638 174.245 175.800 0.138 0.000 1.215 109 F CA -1.964 56.072 58.000 0.060 0.000 1.120 109 F CB -0.395 38.624 39.000 0.033 0.000 1.426 109 F HN 0.256 nan 8.300 nan 0.000 0.514 110 P HA 0.095 nan 4.420 nan 0.000 0.271 110 P C -2.392 175.042 177.300 0.223 0.000 1.226 110 P CA -0.689 62.555 63.100 0.240 0.000 0.765 110 P CB 0.105 31.902 31.700 0.162 0.000 0.835 111 P HA 0.129 nan 4.420 nan 0.000 0.277 111 P C -0.439 176.870 177.300 0.015 0.000 1.276 111 P CA -0.271 62.850 63.100 0.034 0.000 0.788 111 P CB 0.896 32.412 31.700 -0.306 0.000 1.114 112 E N -0.029 120.168 120.200 -0.006 0.000 2.366 112 E HA 0.039 4.389 4.350 -0.000 0.000 0.266 112 E C 0.850 177.442 176.600 -0.013 0.000 1.051 112 E CA -0.386 56.021 56.400 0.012 0.000 0.884 112 E CB 0.637 30.361 29.700 0.040 0.000 1.006 112 E HN 0.376 nan 8.360 nan 0.000 0.417 113 E N 2.259 122.454 120.200 -0.009 0.000 2.068 113 E HA 0.022 4.372 4.350 -0.000 0.000 0.201 113 E C 0.479 177.061 176.600 -0.030 0.000 0.947 113 E CA 0.620 57.009 56.400 -0.018 0.000 0.909 113 E CB -0.020 29.675 29.700 -0.009 0.000 1.015 113 E HN 0.271 nan 8.360 nan 0.000 0.484 114 K N 0.209 120.589 120.400 -0.034 0.000 2.570 114 K HA 0.305 4.625 4.320 -0.000 0.000 0.210 114 K C 0.508 177.055 176.600 -0.088 0.000 1.048 114 K CA 0.429 56.680 56.287 -0.060 0.000 1.167 114 K CB 0.916 33.392 32.500 -0.041 0.000 0.892 114 K HN 0.406 nan 8.250 nan 0.000 0.480 115 G N 1.732 110.491 108.800 -0.069 0.000 2.376 115 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.208 115 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.208 115 G C -0.123 174.756 174.900 -0.035 0.000 1.032 115 G CA -0.299 44.758 45.100 -0.073 0.000 0.641 115 G HN 0.493 nan 8.290 nan 0.000 0.503 116 E N 1.819 122.005 120.200 -0.023 0.000 2.390 116 E HA 0.603 4.953 4.350 -0.000 0.000 0.261 116 E C 0.014 176.620 176.600 0.010 0.000 1.076 116 E CA -0.224 56.173 56.400 -0.004 0.000 0.905 116 E CB 0.920 30.620 29.700 0.001 0.000 0.984 116 E HN 0.477 nan 8.360 nan 0.000 0.427 117 K N 1.047 121.460 120.400 0.022 0.000 2.109 117 K HA 0.146 4.466 4.320 -0.000 0.000 0.243 117 K C 0.713 177.340 176.600 0.045 0.000 1.006 117 K CA -0.693 55.616 56.287 0.038 0.000 0.917 117 K CB 0.916 33.443 32.500 0.045 0.000 1.081 117 K HN 0.462 nan 8.250 nan 0.000 0.468 118 Q N -0.336 119.495 119.800 0.053 0.000 2.511 118 Q HA 0.144 4.484 4.340 -0.000 0.000 0.236 118 Q C -0.154 175.871 176.000 0.042 0.000 0.893 118 Q CA 0.573 56.406 55.803 0.050 0.000 0.947 118 Q CB 0.955 29.728 28.738 0.059 0.000 1.110 118 Q HN 0.308 nan 8.270 nan 0.000 0.591 119 V N 2.250 122.180 119.914 0.027 0.000 2.380 119 V HA 0.283 4.403 4.120 -0.000 0.000 0.286 119 V C -0.665 175.431 176.094 0.003 0.000 1.015 119 V CA -0.711 61.565 62.300 -0.040 0.000 0.834 119 V CB 1.818 33.495 31.823 -0.242 0.000 1.009 119 V HN 0.135 nan 8.190 nan 0.000 0.428 120 E N 5.459 125.721 120.200 0.102 0.000 2.073 120 E HA 0.484 4.834 4.350 -0.000 0.000 0.269 120 E C -0.875 175.910 176.600 0.308 0.000 0.917 120 E CA -0.549 55.954 56.400 0.171 0.000 0.757 120 E CB 0.980 30.809 29.700 0.215 0.000 1.111 120 E HN 0.675 nan 8.360 nan 0.000 0.410 121 I N 4.976 125.667 120.570 0.202 0.000 2.371 121 I HA 0.039 4.209 4.170 -0.000 0.000 0.290 121 I C 0.200 176.541 176.117 0.374 0.000 1.028 121 I CA -0.420 61.047 61.300 0.279 0.000 1.345 121 I CB 0.587 38.642 38.000 0.091 0.000 1.407 121 I HN 0.759 nan 8.210 nan 0.000 0.501 122 W N 3.412 124.807 121.300 0.158 0.000 2.630 122 W HA 0.089 4.748 4.660 -0.000 0.000 0.271 122 W C 0.971 177.632 176.519 0.237 0.000 1.244 122 W CA -0.220 57.263 57.345 0.230 0.000 1.353 122 W CB -0.371 29.228 29.460 0.232 0.000 1.080 122 W HN 0.352 nan 8.180 nan 0.000 0.594 123 N N 1.330 120.237 118.700 0.345 0.000 2.458 123 N HA -0.115 4.625 4.740 -0.000 0.000 0.258 123 N C 1.101 176.710 175.510 0.165 0.000 1.219 123 N CA 0.532 53.694 53.050 0.187 0.000 0.902 123 N CB 0.474 39.004 38.487 0.073 0.000 1.076 123 N HN 0.275 nan 8.380 nan 0.000 0.455 124 H N 1.744 120.856 119.070 0.069 0.000 2.403 124 H HA 0.052 4.608 4.556 -0.000 0.000 0.298 124 H C -0.299 175.002 175.328 -0.045 0.000 1.059 124 H CA 0.901 56.961 56.048 0.021 0.000 1.363 124 H CB 0.801 30.591 29.762 0.047 0.000 1.410 124 H HN 0.572 nan 8.280 nan 0.000 0.528 125 Q N 0.214 119.869 119.800 -0.241 0.000 2.315 125 Q HA 0.225 4.565 4.340 -0.000 0.000 0.273 125 Q C 0.733 176.597 176.000 -0.227 0.000 1.053 125 Q CA -0.467 55.133 55.803 -0.339 0.000 0.817 125 Q CB 2.935 31.468 28.738 -0.342 0.000 1.326 125 Q HN 0.222 nan 8.270 nan 0.000 0.423 126 L N 1.216 122.296 121.223 -0.239 0.000 2.046 126 L HA -0.009 4.330 4.340 -0.000 0.000 0.208 126 L C 0.719 177.447 176.870 -0.237 0.000 1.077 126 L CA 1.279 56.012 54.840 -0.178 0.000 0.747 126 L CB -0.039 41.927 42.059 -0.156 0.000 0.896 126 L HN 0.534 nan 8.230 nan 0.000 0.432 127 I N 0.337 120.680 120.570 -0.379 0.000 2.347 127 I HA 0.304 4.473 4.170 -0.000 0.000 0.283 127 I C -0.149 175.348 176.117 -1.035 0.000 1.058 127 I CA -0.314 60.637 61.300 -0.582 0.000 1.202 127 I CB 0.842 38.509 38.000 -0.554 0.000 1.386 127 I HN 0.073 nan 8.210 nan 0.000 0.475 128 R N 4.446 124.530 120.500 -0.695 0.000 2.774 128 R HA 0.551 4.891 4.340 -0.000 0.000 0.272 128 R C -1.538 174.580 176.300 -0.305 0.000 1.000 128 R CA -0.592 55.195 56.100 -0.522 0.000 0.906 128 R CB 1.541 31.738 30.300 -0.172 0.000 1.227 128 R HN 0.179 nan 8.270 nan 0.000 0.468 129 Y N 0.492 120.842 120.300 0.084 0.000 2.326 129 Y HA 0.648 5.198 4.550 -0.000 0.000 0.324 129 Y C 0.804 176.717 175.900 0.022 0.000 1.291 129 Y CA -0.362 57.780 58.100 0.069 0.000 1.348 129 Y CB 1.095 39.606 38.460 0.085 0.000 1.294 129 Y HN 0.737 nan 8.280 nan 0.000 0.525 130 A N 0.227 123.173 122.820 0.210 0.000 2.246 130 A HA 0.785 5.105 4.320 -0.000 0.000 0.291 130 A C 0.096 177.596 177.584 -0.141 0.000 1.103 130 A CA 0.053 52.080 52.037 -0.017 0.000 0.844 130 A CB 0.063 19.103 19.000 0.066 0.000 1.136 130 A HN 0.911 nan 8.150 nan 0.000 0.500 131 G N -0.745 107.770 108.800 -0.475 0.000 2.733 131 G HA2 0.578 4.538 3.960 -0.000 0.000 0.289 131 G HA3 0.578 4.538 3.960 -0.000 0.000 0.289 131 G C -1.517 173.032 174.900 -0.586 0.000 1.473 131 G CA -0.227 44.649 45.100 -0.373 0.000 1.123 131 G HN 0.519 nan 8.290 nan 0.000 0.544 132 Y N 0.350 120.628 120.300 -0.037 0.000 2.462 132 Y HA 0.692 5.242 4.550 -0.000 0.000 0.346 132 Y C 0.152 176.028 175.900 -0.041 0.000 0.976 132 Y CA -1.027 57.056 58.100 -0.028 0.000 1.044 132 Y CB 3.108 41.552 38.460 -0.026 0.000 1.230 132 Y HN 0.492 nan 8.280 nan 0.000 0.455 133 E N 2.045 122.309 120.200 0.106 0.000 2.528 133 E HA 0.649 4.999 4.350 -0.000 0.000 0.277 133 E C -1.388 175.239 176.600 0.045 0.000 0.980 133 E CA -0.316 56.114 56.400 0.051 0.000 0.796 133 E CB 0.674 30.383 29.700 0.015 0.000 1.427 133 E HN 0.831 nan 8.360 nan 0.000 0.394 134 A N 2.169 125.013 122.820 0.040 0.000 2.336 134 A HA 0.735 5.055 4.320 -0.000 0.000 0.291 134 A C 1.211 178.804 177.584 0.014 0.000 1.266 134 A CA 0.377 52.430 52.037 0.026 0.000 0.891 134 A CB 0.408 19.418 19.000 0.017 0.000 1.366 134 A HN 0.697 nan 8.150 nan 0.000 0.507 135 A N -1.119 121.706 122.820 0.009 0.000 2.125 135 A HA 0.171 4.491 4.320 -0.000 0.000 0.219 135 A C 1.921 179.507 177.584 0.003 0.000 1.156 135 A CA 2.127 54.167 52.037 0.006 0.000 0.671 135 A CB -1.221 17.781 19.000 0.004 0.000 0.794 135 A HN 1.215 nan 8.150 nan 0.000 0.459 136 G N 0.167 108.968 108.800 0.001 0.000 2.699 136 G HA2 0.240 4.200 3.960 -0.000 0.000 0.214 136 G HA3 0.240 4.200 3.960 -0.000 0.000 0.214 136 G C 0.518 175.417 174.900 -0.001 0.000 1.350 136 G CA 0.872 45.971 45.100 -0.002 0.000 0.873 136 G HN 0.758 nan 8.290 nan 0.000 0.570 137 E N -1.968 118.231 120.200 -0.002 0.000 2.454 137 E HA 0.627 4.977 4.350 -0.000 0.000 0.279 137 E C -1.117 175.481 176.600 -0.004 0.000 1.029 137 E CA -0.892 55.507 56.400 -0.003 0.000 0.831 137 E CB 1.185 30.882 29.700 -0.006 0.000 1.405 137 E HN 0.404 nan 8.360 nan 0.000 0.463 138 A N 1.232 124.044 122.820 -0.013 0.000 2.363 138 A HA 0.598 4.918 4.320 -0.000 0.000 0.270 138 A C -0.399 177.160 177.584 -0.042 0.000 1.121 138 A CA -0.528 51.492 52.037 -0.028 0.000 0.800 138 A CB 0.137 19.107 19.000 -0.050 0.000 1.052 138 A HN 0.588 nan 8.150 nan 0.000 0.493 139 I N 1.996 122.548 120.570 -0.030 0.000 2.607 139 I HA 0.602 4.772 4.170 -0.000 0.000 0.290 139 I C 0.457 176.550 176.117 -0.040 0.000 1.129 139 I CA 0.842 62.122 61.300 -0.033 0.000 1.042 139 I CB 1.533 39.539 38.000 0.009 0.000 1.242 139 I HN 1.438 nan 8.210 nan 0.000 0.421 140 G N 6.242 114.924 108.800 -0.198 0.000 2.496 140 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.243 140 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.243 140 G C -0.893 173.607 174.900 -0.666 0.000 1.176 140 G CA 0.223 45.159 45.100 -0.272 0.000 0.940 140 G HN 0.768 nan 8.290 nan 0.000 0.573 141 D N 1.365 121.582 120.400 -0.305 0.000 2.441 141 D HA 0.631 5.271 4.640 -0.000 0.000 0.231 141 D C -1.220 175.008 176.300 -0.120 0.000 1.073 141 D CA -2.080 51.789 54.000 -0.220 0.000 0.850 141 D CB 1.666 42.589 40.800 0.206 0.000 1.062 141 D HN -0.013 nan 8.370 nan 0.000 0.524 142 P HA -0.068 nan 4.420 nan 0.000 0.221 142 P C 0.740 178.025 177.300 -0.026 0.000 1.145 142 P CA 0.795 63.848 63.100 -0.077 0.000 0.795 142 P CB 0.307 31.964 31.700 -0.072 0.000 0.775 143 A N -1.306 121.524 122.820 0.016 0.000 2.239 143 A HA 0.023 4.343 4.320 -0.000 0.000 0.209 143 A C 1.699 179.308 177.584 0.041 0.000 1.171 143 A CA 1.174 53.237 52.037 0.044 0.000 0.768 143 A CB -0.652 18.409 19.000 0.101 0.000 0.790 143 A HN 0.089 nan 8.150 nan 0.000 0.478 144 S N -1.905 113.803 115.700 0.014 0.000 2.749 144 S HA 0.083 4.553 4.470 -0.000 0.000 0.246 144 S C 1.191 175.733 174.600 -0.096 0.000 1.023 144 S CA -0.110 58.078 58.200 -0.019 0.000 1.012 144 S CB -0.327 62.868 63.200 -0.007 0.000 0.942 144 S HN 0.652 nan 8.310 nan 0.000 0.531 145 C N 2.346 121.600 119.300 -0.078 0.000 2.386 145 C HA -0.153 4.307 4.460 -0.000 0.000 0.279 145 C C 3.164 178.105 174.990 -0.082 0.000 1.208 145 C CA 1.721 60.681 59.018 -0.095 0.000 1.747 145 C CB -1.366 26.346 27.740 -0.047 0.000 2.046 145 C HN 0.776 nan 8.230 nan 0.000 0.453 146 S N 1.343 117.031 115.700 -0.020 0.000 2.365 146 S HA -0.226 4.244 4.470 -0.000 0.000 0.225 146 S C 1.737 176.268 174.600 -0.116 0.000 1.039 146 S CA 1.794 60.005 58.200 0.020 0.000 1.033 146 S CB -0.872 62.422 63.200 0.158 0.000 0.887 146 S HN 0.447 nan 8.310 nan 0.000 0.447 147 L N 2.222 123.307 121.223 -0.229 0.000 2.083 147 L HA -0.010 4.330 4.340 -0.000 0.000 0.209 147 L C 2.389 179.056 176.870 -0.337 0.000 1.083 147 L CA 2.107 56.644 54.840 -0.505 0.000 0.752 147 L CB -1.402 40.449 42.059 -0.347 0.000 0.899 147 L HN 0.359 nan 8.230 nan 0.000 0.433 148 T N -0.475 113.927 114.554 -0.253 0.000 2.857 148 T HA -0.021 4.329 4.350 -0.000 0.000 0.266 148 T C 1.761 176.391 174.700 -0.117 0.000 1.048 148 T CA 1.058 63.018 62.100 -0.234 0.000 1.139 148 T CB -0.321 68.293 68.868 -0.424 0.000 0.874 148 T HN 0.476 nan 8.240 nan 0.000 0.455 149 A N 0.715 123.477 122.820 -0.098 0.000 2.167 149 A HA 0.503 4.823 4.320 -0.000 0.000 0.214 149 A C 2.343 179.926 177.584 -0.002 0.000 1.151 149 A CA 1.119 53.145 52.037 -0.020 0.000 0.735 149 A CB -0.479 18.519 19.000 -0.003 0.000 0.802 149 A HN 0.466 nan 8.150 nan 0.000 0.467 150 A N -1.654 121.134 122.820 -0.054 0.000 2.044 150 A HA 0.074 4.394 4.320 -0.000 0.000 0.213 150 A C 2.049 179.615 177.584 -0.029 0.000 1.169 150 A CA 1.201 53.232 52.037 -0.011 0.000 0.724 150 A CB -0.721 18.249 19.000 -0.051 0.000 0.840 150 A HN 0.516 nan 8.150 nan 0.000 0.463 151 C N -0.917 118.327 119.300 -0.094 0.000 2.505 151 C HA 0.208 4.668 4.460 -0.000 0.000 0.279 151 C C 3.228 178.242 174.990 0.040 0.000 1.316 151 C CA 1.199 60.142 59.018 -0.125 0.000 1.720 151 C CB -0.739 26.796 27.740 -0.341 0.000 2.050 151 C HN 0.772 nan 8.230 nan 0.000 0.493 152 E N 0.281 120.544 120.200 0.105 0.000 2.118 152 E HA -0.238 4.112 4.350 -0.000 0.000 0.195 152 E C 2.004 178.661 176.600 0.096 0.000 0.992 152 E CA 2.104 58.579 56.400 0.124 0.000 0.804 152 E CB -1.055 28.716 29.700 0.118 0.000 0.741 152 E HN 0.808 nan 8.360 nan 0.000 0.458 153 Q N -0.284 119.567 119.800 0.085 0.000 2.230 153 Q HA 0.331 4.671 4.340 -0.000 0.000 0.202 153 Q C 2.163 178.231 176.000 0.114 0.000 0.963 153 Q CA 1.193 57.047 55.803 0.085 0.000 0.866 153 Q CB -0.473 28.309 28.738 0.074 0.000 0.931 153 Q HN 0.655 nan 8.270 nan 0.000 0.452 154 L N -0.162 121.161 121.223 0.166 0.000 2.688 154 L HA 0.374 4.714 4.340 -0.000 0.000 0.234 154 L C 1.371 178.516 176.870 0.458 0.000 1.192 154 L CA 0.374 55.374 54.840 0.265 0.000 0.984 154 L CB 0.019 42.262 42.059 0.307 0.000 1.232 154 L HN 0.590 nan 8.230 nan 0.000 0.465 155 G N -1.060 107.935 108.800 0.326 0.000 2.141 155 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.242 155 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.242 155 G C -0.250 174.920 174.900 0.450 0.000 0.982 155 G CA -0.164 45.149 45.100 0.355 0.000 0.662 155 G HN 0.394 nan 8.290 nan 0.000 0.527 156 W N 0.592 121.892 121.300 0.001 0.000 2.448 156 W HA 0.769 5.429 4.660 -0.000 0.000 0.339 156 W C 0.215 176.577 176.519 -0.263 0.000 1.124 156 W CA 0.452 57.480 57.345 -0.528 0.000 1.262 156 W CB 1.041 29.674 29.460 -1.378 0.000 1.251 156 W HN 0.842 nan 8.180 nan 0.000 0.597 157 R N 2.647 122.173 120.500 -1.622 0.000 2.563 157 R HA 0.587 4.927 4.340 -0.000 0.000 0.262 157 R C -0.229 175.112 176.300 -1.598 0.000 1.128 157 R CA -0.262 55.071 56.100 -1.279 0.000 0.969 157 R CB 0.383 30.346 30.300 -0.560 0.000 1.251 157 R HN 1.188 nan 8.270 nan 0.000 0.442 158 G N -0.398 107.643 108.800 -1.265 0.000 2.928 158 G HA2 0.472 4.432 3.960 -0.000 0.000 0.163 158 G HA3 0.472 4.432 3.960 -0.000 0.000 0.163 158 G C 0.806 175.501 174.900 -0.342 0.000 1.573 158 G CA 1.108 45.837 45.100 -0.618 0.000 1.084 158 G HN 1.396 nan 8.290 nan 0.000 0.569 159 E N -2.612 117.472 120.200 -0.193 0.000 2.572 159 E HA 0.490 4.840 4.350 -0.000 0.000 0.220 159 E C 0.994 177.469 176.600 -0.208 0.000 0.945 159 E CA 1.401 57.700 56.400 -0.168 0.000 1.070 159 E CB -0.370 29.278 29.700 -0.086 0.000 1.090 159 E HN 1.985 nan 8.360 nan 0.000 0.506 160 R N 0.046 120.365 120.500 -0.302 0.000 3.125 160 R HA -0.070 4.270 4.340 -0.000 0.000 0.258 160 R C 0.569 176.734 176.300 -0.225 0.000 0.968 160 R CA 1.572 57.396 56.100 -0.461 0.000 0.656 160 R CB -3.252 26.769 30.300 -0.465 0.000 1.251 160 R HN 1.471 nan 8.270 nan 0.000 0.428 161 T N -3.447 111.048 114.554 -0.099 0.000 2.940 161 T HA 0.619 4.969 4.350 -0.000 0.000 0.288 161 T C 0.569 175.253 174.700 -0.026 0.000 1.045 161 T CA -0.091 61.991 62.100 -0.029 0.000 1.018 161 T CB 2.073 70.960 68.868 0.031 0.000 1.151 161 T HN 0.165 nan 8.240 nan 0.000 0.529 162 D N -0.543 119.814 120.400 -0.071 0.000 2.264 162 D HA 0.089 4.729 4.640 -0.000 0.000 0.208 162 D C -0.417 175.495 176.300 -0.647 0.000 0.966 162 D CA 0.960 54.794 54.000 -0.277 0.000 0.864 162 D CB -0.130 40.499 40.800 -0.285 0.000 0.933 162 D HN 0.533 nan 8.370 nan 0.000 0.499 163 F N -0.180 119.701 119.950 -0.116 0.000 2.660 163 F HA 0.331 4.858 4.527 0.000 0.000 0.352 163 F C 0.248 176.004 175.800 -0.073 0.000 1.257 163 F CA -0.754 57.026 58.000 -0.367 0.000 1.200 163 F CB 0.743 39.423 39.000 -0.534 0.000 1.473 163 F HN -0.316 nan 8.300 nan 0.000 0.561 164 D N 2.903 123.432 120.400 0.214 0.000 2.308 164 D HA 0.702 5.342 4.640 -0.000 0.000 0.242 164 D C -0.104 176.427 176.300 0.385 0.000 1.059 164 D CA -0.603 53.583 54.000 0.311 0.000 0.830 164 D CB 1.607 42.612 40.800 0.341 0.000 1.161 164 D HN 0.355 nan 8.370 nan 0.000 0.494 165 L N 1.133 122.551 121.223 0.324 0.000 2.439 165 L HA 0.414 4.754 4.340 -0.000 0.000 0.269 165 L C 0.373 177.263 176.870 0.034 0.000 1.179 165 L CA -0.448 54.502 54.840 0.182 0.000 0.828 165 L CB 1.071 43.204 42.059 0.124 0.000 1.106 165 L HN 0.481 nan 8.230 nan 0.000 0.467 166 L N 4.128 125.245 121.223 -0.176 0.000 2.360 166 L HA 0.487 4.827 4.340 -0.000 0.000 0.271 166 L C -1.986 174.580 176.870 -0.506 0.000 1.057 166 L CA -1.708 52.824 54.840 -0.513 0.000 0.803 166 L CB 1.579 43.401 42.059 -0.395 0.000 1.207 166 L HN 0.417 nan 8.230 nan 0.000 0.445 167 P HA 0.157 nan 4.420 nan 0.000 0.279 167 P C -0.990 176.188 177.300 -0.203 0.000 1.252 167 P CA -0.524 62.300 63.100 -0.461 0.000 0.811 167 P CB 0.986 32.221 31.700 -0.775 0.000 1.035 168 L N 2.808 124.039 121.223 0.013 0.000 2.454 168 L HA 0.293 4.633 4.340 -0.000 0.000 0.284 168 L C 0.874 177.780 176.870 0.060 0.000 1.139 168 L CA -0.249 54.666 54.840 0.125 0.000 0.911 168 L CB -0.508 41.720 42.059 0.282 0.000 1.262 168 L HN 0.333 nan 8.230 nan 0.000 0.453 169 I N 5.100 125.675 120.570 0.009 0.000 2.321 169 I HA 0.460 4.630 4.170 -0.000 0.000 0.291 169 I C -0.934 175.152 176.117 -0.051 0.000 0.998 169 I CA -0.481 60.712 61.300 -0.179 0.000 1.227 169 I CB 0.655 38.536 38.000 -0.199 0.000 1.368 169 I HN 0.383 nan 8.210 nan 0.000 0.466 170 F N 5.401 125.247 119.950 -0.173 0.000 2.650 170 F HA 0.586 5.113 4.527 -0.000 0.000 0.310 170 F C -0.878 174.853 175.800 -0.115 0.000 1.112 170 F CA -1.013 56.952 58.000 -0.059 0.000 0.986 170 F CB 0.812 39.786 39.000 -0.044 0.000 1.285 170 F HN 0.367 nan 8.300 nan 0.000 0.440 171 R N 2.232 122.862 120.500 0.217 0.000 2.607 171 R HA 0.952 5.291 4.340 -0.000 0.000 0.261 171 R C -0.605 175.803 176.300 0.179 0.000 1.051 171 R CA -0.177 56.011 56.100 0.146 0.000 1.110 171 R CB 1.530 32.011 30.300 0.302 0.000 1.158 171 R HN 1.036 nan 8.270 nan 0.000 0.543 172 M N 0.939 120.603 119.600 0.106 0.000 2.791 172 M HA 0.392 4.872 4.480 -0.000 0.000 0.286 172 M C -1.021 175.317 176.300 0.063 0.000 1.238 172 M CA -0.817 54.534 55.300 0.084 0.000 0.762 172 M CB 0.814 33.453 32.600 0.066 0.000 1.758 172 M HN 0.651 nan 8.290 nan 0.000 0.447 173 K N 1.071 121.500 120.400 0.048 0.000 2.401 173 K HA 0.567 4.887 4.320 -0.000 0.000 0.278 173 K C 0.847 177.464 176.600 0.028 0.000 1.018 173 K CA 0.430 56.740 56.287 0.038 0.000 0.981 173 K CB 0.155 32.674 32.500 0.032 0.000 0.933 173 K HN 2.449 nan 8.250 nan 0.000 0.477 174 G N 2.094 110.909 108.800 0.026 0.000 2.267 174 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.257 174 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.257 174 G C -0.533 174.377 174.900 0.016 0.000 0.998 174 G CA 0.418 45.529 45.100 0.018 0.000 0.620 174 G HN 0.784 nan 8.290 nan 0.000 0.529 175 D N 1.072 121.483 120.400 0.018 0.000 2.225 175 D HA 0.541 5.180 4.640 -0.000 0.000 0.248 175 D C 1.297 177.611 176.300 0.023 0.000 1.096 175 D CA 0.534 54.538 54.000 0.006 0.000 0.863 175 D CB 1.234 42.026 40.800 -0.013 0.000 1.156 175 D HN 0.507 nan 8.370 nan 0.000 0.450 176 E N 2.914 123.125 120.200 0.017 0.000 2.006 176 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 176 E C 0.899 177.527 176.600 0.047 0.000 0.993 176 E CA 0.986 57.408 56.400 0.038 0.000 0.808 176 E CB -0.731 28.986 29.700 0.028 0.000 0.764 176 E HN 0.617 nan 8.360 nan 0.000 0.449 177 Q N 1.250 121.047 119.800 -0.005 0.000 2.299 177 Q HA 0.471 4.811 4.340 -0.000 0.000 0.246 177 Q C -2.183 173.728 176.000 -0.147 0.000 0.935 177 Q CA -2.141 53.628 55.803 -0.056 0.000 0.887 177 Q CB 0.921 29.614 28.738 -0.076 0.000 1.223 177 Q HN 0.262 nan 8.270 nan 0.000 0.439 178 P HA 0.242 nan 4.420 nan 0.000 0.286 178 P C -0.855 176.162 177.300 -0.471 0.000 1.293 178 P CA -0.559 62.246 63.100 -0.493 0.000 0.770 178 P CB 0.658 31.650 31.700 -1.180 0.000 1.206 179 V N -3.636 115.931 119.914 -0.579 0.000 2.668 179 V HA 0.606 4.726 4.120 -0.000 0.000 0.304 179 V C -0.677 175.019 176.094 -0.663 0.000 1.071 179 V CA -0.805 61.127 62.300 -0.613 0.000 0.894 179 V CB 1.572 33.061 31.823 -0.558 0.000 1.008 179 V HN 0.773 nan 8.190 nan 0.000 0.425 180 W N 2.485 123.517 121.300 -0.447 0.000 2.639 180 W HA 0.894 5.554 4.660 -0.000 0.000 0.347 180 W C -1.302 175.090 176.519 -0.211 0.000 1.067 180 W CA -0.998 56.124 57.345 -0.372 0.000 1.218 180 W CB 1.305 30.571 29.460 -0.323 0.000 1.393 180 W HN 1.151 nan 8.180 nan 0.000 0.557 181 Y N 0.923 121.405 120.300 0.304 0.000 2.362 181 Y HA 0.451 5.001 4.550 -0.000 0.000 0.326 181 Y C -0.461 175.646 175.900 0.346 0.000 1.083 181 Y CA -1.559 56.742 58.100 0.335 0.000 1.073 181 Y CB 1.080 39.661 38.460 0.201 0.000 1.211 181 Y HN 0.655 nan 8.280 nan 0.000 0.433 182 E N 2.496 122.931 120.200 0.391 0.000 2.414 182 E HA 0.322 4.672 4.350 -0.000 0.000 0.263 182 E C -0.318 176.404 176.600 0.203 0.000 1.000 182 E CA 0.039 56.597 56.400 0.263 0.000 0.914 182 E CB 0.501 30.407 29.700 0.343 0.000 0.948 182 E HN 0.706 nan 8.360 nan 0.000 0.444 183 L N 6.779 128.078 121.223 0.127 0.000 2.462 183 L HA 0.193 4.533 4.340 -0.000 0.000 0.272 183 L C -1.792 175.085 176.870 0.011 0.000 1.166 183 L CA -1.763 53.118 54.840 0.068 0.000 0.880 183 L CB 0.278 42.354 42.059 0.029 0.000 1.142 183 L HN 0.543 nan 8.230 nan 0.000 0.473 184 P HA 0.092 nan 4.420 nan 0.000 0.270 184 P C 0.222 177.485 177.300 -0.062 0.000 1.242 184 P CA -0.402 62.635 63.100 -0.105 0.000 0.768 184 P CB 0.522 32.074 31.700 -0.246 0.000 0.820 185 R N 1.930 122.420 120.500 -0.017 0.000 2.185 185 R HA -0.140 4.200 4.340 -0.000 0.000 0.247 185 R C 1.772 178.064 176.300 -0.013 0.000 1.159 185 R CA 2.010 58.109 56.100 -0.001 0.000 0.988 185 R CB -1.244 29.065 30.300 0.014 0.000 0.871 185 R HN 0.583 nan 8.270 nan 0.000 0.458 186 S N -0.187 115.494 115.700 -0.031 0.000 2.425 186 S HA -0.028 4.442 4.470 -0.000 0.000 0.225 186 S C 1.887 176.464 174.600 -0.038 0.000 1.024 186 S CA 0.142 58.324 58.200 -0.030 0.000 0.951 186 S CB -0.266 62.915 63.200 -0.032 0.000 0.796 186 S HN 0.151 nan 8.310 nan 0.000 0.498 187 L N 2.644 123.827 121.223 -0.066 0.000 2.456 187 L HA 0.231 4.571 4.340 -0.000 0.000 0.224 187 L C 0.195 177.043 176.870 -0.038 0.000 1.148 187 L CA 0.534 55.331 54.840 -0.071 0.000 0.825 187 L CB -0.222 41.749 42.059 -0.145 0.000 0.937 187 L HN 0.462 nan 8.230 nan 0.000 0.450 188 V N -1.971 117.930 119.914 -0.023 0.000 2.409 188 V HA 0.456 4.576 4.120 -0.000 0.000 0.291 188 V C 0.040 176.150 176.094 0.027 0.000 1.020 188 V CA -1.053 61.249 62.300 0.003 0.000 0.848 188 V CB 1.469 33.292 31.823 -0.001 0.000 0.990 188 V HN -0.048 nan 8.190 nan 0.000 0.430 189 I N 3.922 124.522 120.570 0.049 0.000 2.396 189 I HA 0.521 4.691 4.170 -0.000 0.000 0.292 189 I C 0.199 176.367 176.117 0.085 0.000 0.999 189 I CA -0.099 61.233 61.300 0.052 0.000 1.310 189 I CB 1.461 39.491 38.000 0.051 0.000 1.404 189 I HN 0.775 nan 8.210 nan 0.000 0.496 190 E N 5.086 125.307 120.200 0.036 0.000 2.266 190 E HA 0.460 4.810 4.350 -0.000 0.000 0.268 190 E C -1.406 175.134 176.600 -0.100 0.000 0.879 190 E CA -0.792 55.620 56.400 0.020 0.000 0.762 190 E CB 3.148 32.868 29.700 0.033 0.000 1.199 190 E HN 0.200 nan 8.360 nan 0.000 0.422 191 V N 4.171 123.958 119.914 -0.212 0.000 2.313 191 V HA 0.254 4.374 4.120 -0.000 0.000 0.278 191 V C -2.149 173.783 176.094 -0.271 0.000 1.017 191 V CA -1.844 60.237 62.300 -0.364 0.000 0.823 191 V CB 1.041 32.336 31.823 -0.880 0.000 1.010 191 V HN 0.526 nan 8.190 nan 0.000 0.443 192 P HA 0.146 nan 4.420 nan 0.000 0.271 192 P C -0.322 176.913 177.300 -0.108 0.000 1.233 192 P CA -0.197 62.811 63.100 -0.154 0.000 0.764 192 P CB 0.751 32.380 31.700 -0.118 0.000 0.825 193 I N 3.434 123.959 120.570 -0.076 0.000 2.587 193 I HA 0.119 4.289 4.170 -0.000 0.000 0.284 193 I C 1.246 177.393 176.117 0.051 0.000 1.134 193 I CA 0.860 62.163 61.300 0.005 0.000 1.410 193 I CB -0.560 37.461 38.000 0.034 0.000 1.392 193 I HN 0.353 nan 8.210 nan 0.000 0.545 194 T N 6.008 120.635 114.554 0.121 0.000 3.032 194 T HA 0.244 4.594 4.350 -0.000 0.000 0.312 194 T C -0.731 174.129 174.700 0.267 0.000 1.078 194 T CA -0.599 61.607 62.100 0.177 0.000 1.028 194 T CB 1.027 69.997 68.868 0.171 0.000 1.091 194 T HN 0.648 nan 8.240 nan 0.000 0.457 195 H N 5.825 124.924 119.070 0.047 0.000 2.511 195 H HA 0.367 4.922 4.556 -0.000 0.000 0.346 195 H C -1.744 173.358 175.328 -0.376 0.000 1.128 195 H CA -1.939 54.034 56.048 -0.125 0.000 1.342 195 H CB 2.264 31.975 29.762 -0.084 0.000 1.470 195 H HN 0.463 nan 8.280 nan 0.000 0.546 196 P HA -0.102 nan 4.420 nan 0.000 0.214 196 P C 0.350 177.448 177.300 -0.338 0.000 1.162 196 P CA 1.050 63.497 63.100 -1.089 0.000 0.874 196 P CB 0.585 31.479 31.700 -1.345 0.000 0.784 197 D N -0.479 119.848 120.400 -0.123 0.000 2.340 197 D HA 0.169 4.809 4.640 -0.000 0.000 0.220 197 D C 0.734 177.127 176.300 0.156 0.000 1.039 197 D CA 0.423 54.476 54.000 0.088 0.000 0.866 197 D CB 0.275 41.150 40.800 0.126 0.000 0.913 197 D HN 0.310 nan 8.370 nan 0.000 0.523 198 I N 0.681 121.425 120.570 0.290 0.000 2.439 198 I HA 0.128 4.298 4.170 -0.000 0.000 0.285 198 I C 1.057 177.215 176.117 0.069 0.000 1.021 198 I CA -0.407 60.937 61.300 0.074 0.000 1.091 198 I CB 2.758 40.669 38.000 -0.148 0.000 1.242 198 I HN -0.268 nan 8.210 nan 0.000 0.439 199 E N 4.524 124.745 120.200 0.035 0.000 2.385 199 E HA 0.029 4.379 4.350 -0.000 0.000 0.194 199 E C 1.796 178.411 176.600 0.025 0.000 1.013 199 E CA 0.644 57.064 56.400 0.035 0.000 0.866 199 E CB 0.450 30.165 29.700 0.026 0.000 0.832 199 E HN 0.844 nan 8.360 nan 0.000 0.500 200 A N 0.387 123.214 122.820 0.010 0.000 2.066 200 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 200 A C 2.313 179.904 177.584 0.011 0.000 1.157 200 A CA 1.042 53.082 52.037 0.005 0.000 0.670 200 A CB -1.141 17.854 19.000 -0.007 0.000 0.804 200 A HN 0.417 nan 8.150 nan 0.000 0.453 201 F N 0.893 120.853 119.950 0.017 0.000 2.161 201 F HA -0.118 4.409 4.527 -0.000 0.000 0.300 201 F C 2.819 178.645 175.800 0.043 0.000 1.089 201 F CA 2.045 60.063 58.000 0.031 0.000 1.282 201 F CB -1.477 37.558 39.000 0.059 0.000 1.010 201 F HN 0.545 nan 8.300 nan 0.000 0.485 202 S N 0.255 115.980 115.700 0.043 0.000 2.547 202 S HA 0.029 4.499 4.470 -0.000 0.000 0.235 202 S C 1.394 176.009 174.600 0.025 0.000 0.980 202 S CA 1.383 59.602 58.200 0.033 0.000 0.941 202 S CB -1.797 61.422 63.200 0.030 0.000 0.763 202 S HN 0.841 nan 8.310 nan 0.000 0.532 203 D N 1.852 122.267 120.400 0.026 0.000 2.269 203 D HA 0.217 4.857 4.640 -0.000 0.000 0.208 203 D C 1.968 178.289 176.300 0.034 0.000 0.963 203 D CA 1.113 55.127 54.000 0.024 0.000 0.864 203 D CB -0.656 40.156 40.800 0.019 0.000 0.936 203 D HN 0.583 nan 8.370 nan 0.000 0.505 204 L N -0.931 120.318 121.223 0.043 0.000 2.291 204 L HA 0.261 4.601 4.340 -0.000 0.000 0.214 204 L C 2.143 179.057 176.870 0.073 0.000 1.120 204 L CA 0.938 55.815 54.840 0.062 0.000 0.799 204 L CB -0.702 41.398 42.059 0.069 0.000 0.925 204 L HN 0.499 nan 8.230 nan 0.000 0.446 205 E N 0.780 121.005 120.200 0.043 0.000 2.320 205 E HA -0.219 4.130 4.350 -0.000 0.000 0.234 205 E C -0.022 176.569 176.600 -0.014 0.000 1.183 205 E CA 0.897 57.306 56.400 0.015 0.000 0.713 205 E CB -2.716 27.006 29.700 0.037 0.000 1.226 205 E HN 0.474 nan 8.360 nan 0.000 0.382 206 L N -1.603 119.611 121.223 -0.015 0.000 2.399 206 L HA 0.857 5.197 4.340 -0.000 0.000 0.266 206 L C 0.869 177.607 176.870 -0.221 0.000 1.114 206 L CA 0.404 55.215 54.840 -0.049 0.000 0.804 206 L CB 1.536 43.630 42.059 0.059 0.000 1.146 206 L HN 0.923 nan 8.230 nan 0.000 0.451 207 K N 1.890 122.070 120.400 -0.367 0.000 2.660 207 K HA 0.513 4.833 4.320 -0.000 0.000 0.285 207 K C -2.180 174.340 176.600 -0.134 0.000 0.997 207 K CA -0.784 55.309 56.287 -0.324 0.000 0.861 207 K CB 1.334 33.542 32.500 -0.486 0.000 1.469 207 K HN 0.665 nan 8.250 nan 0.000 0.395 208 W N 2.030 123.258 121.300 -0.121 0.000 3.137 208 W HA 0.543 5.202 4.660 -0.000 0.000 0.324 208 W C -1.035 175.540 176.519 0.094 0.000 1.253 208 W CA -0.986 56.395 57.345 0.062 0.000 1.183 208 W CB 1.335 30.756 29.460 -0.064 0.000 1.424 208 W HN 0.956 nan 8.180 nan 0.000 0.566 209 Y N 1.075 121.542 120.300 0.278 0.000 2.346 209 Y HA 0.509 5.059 4.550 -0.000 0.000 0.330 209 Y C 0.974 177.196 175.900 0.536 0.000 1.178 209 Y CA 0.279 58.532 58.100 0.255 0.000 1.331 209 Y CB -0.119 38.336 38.460 -0.009 0.000 1.253 209 Y HN 0.435 nan 8.280 nan 0.000 0.529 210 G N 1.954 111.092 108.800 0.563 0.000 2.616 210 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.215 210 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.215 210 G C -0.053 175.130 174.900 0.472 0.000 1.284 210 G CA 0.497 45.948 45.100 0.585 0.000 0.823 210 G HN 0.577 nan 8.290 nan 0.000 0.569 211 V N 4.009 124.088 119.914 0.275 0.000 2.403 211 V HA 0.205 4.325 4.120 -0.000 0.000 0.265 211 V C -1.775 174.331 176.094 0.021 0.000 1.034 211 V CA -0.803 61.553 62.300 0.094 0.000 1.036 211 V CB 0.925 32.765 31.823 0.028 0.000 1.032 211 V HN 0.330 nan 8.190 nan 0.000 0.478 212 P HA 0.355 nan 4.420 nan 0.000 0.245 212 P C -0.233 176.894 177.300 -0.289 0.000 1.740 212 P CA -0.087 62.854 63.100 -0.266 0.000 1.125 212 P CB 0.858 32.025 31.700 -0.889 0.000 1.747 213 I N 2.695 123.089 120.570 -0.294 0.000 2.243 213 I HA 0.430 4.600 4.170 -0.000 0.000 0.297 213 I C 1.105 176.946 176.117 -0.460 0.000 1.161 213 I CA -1.145 59.923 61.300 -0.386 0.000 1.298 213 I CB -0.489 37.247 38.000 -0.440 0.000 1.475 213 I HN 0.359 nan 8.210 nan 0.000 0.561 214 I N 4.426 124.652 120.570 -0.573 0.000 2.818 214 I HA 0.363 4.533 4.170 -0.000 0.000 0.285 214 I C 1.353 177.039 176.117 -0.719 0.000 1.160 214 I CA 0.678 61.549 61.300 -0.715 0.000 1.370 214 I CB -1.082 36.407 38.000 -0.852 0.000 1.440 214 I HN 0.949 nan 8.210 nan 0.000 0.555 215 S N 2.490 117.925 115.700 -0.442 0.000 2.412 215 S HA 0.009 4.479 4.470 -0.000 0.000 0.223 215 S C 1.900 176.426 174.600 -0.123 0.000 1.048 215 S CA 1.129 59.180 58.200 -0.248 0.000 0.954 215 S CB -0.813 62.301 63.200 -0.142 0.000 0.840 215 S HN 1.218 nan 8.310 nan 0.000 0.503 216 D N 1.194 121.556 120.400 -0.064 0.000 2.403 216 D HA 0.426 5.066 4.640 -0.000 0.000 0.227 216 D C 0.736 177.069 176.300 0.054 0.000 0.995 216 D CA 1.199 55.216 54.000 0.028 0.000 0.928 216 D CB -1.120 39.733 40.800 0.090 0.000 0.887 216 D HN 0.768 nan 8.370 nan 0.000 0.529 217 M N -0.148 119.470 119.600 0.031 0.000 2.235 217 M HA 0.574 5.054 4.480 -0.000 0.000 0.351 217 M C 0.304 176.753 176.300 0.249 0.000 1.178 217 M CA -0.539 54.869 55.300 0.180 0.000 1.143 217 M CB 0.377 33.104 32.600 0.212 0.000 1.530 217 M HN 0.256 nan 8.290 nan 0.000 0.461 218 K N 1.745 122.316 120.400 0.285 0.000 2.095 218 K HA 0.842 5.162 4.320 -0.000 0.000 0.252 218 K C -1.858 174.864 176.600 0.204 0.000 0.977 218 K CA -0.675 55.757 56.287 0.242 0.000 0.900 218 K CB 1.208 33.837 32.500 0.215 0.000 1.060 218 K HN 0.769 nan 8.250 nan 0.000 0.449 219 L N 2.446 123.758 121.223 0.148 0.000 2.404 219 L HA 0.320 4.660 4.340 -0.000 0.000 0.272 219 L C -1.292 175.653 176.870 0.125 0.000 0.980 219 L CA -0.019 54.801 54.840 -0.034 0.000 0.836 219 L CB 1.655 43.704 42.059 -0.016 0.000 1.238 219 L HN 0.725 nan 8.230 nan 0.000 0.408 220 E N 4.825 125.068 120.200 0.072 0.000 2.101 220 E HA 0.544 4.894 4.350 -0.000 0.000 0.260 220 E C -1.791 174.812 176.600 0.005 0.000 0.897 220 E CA -0.507 55.998 56.400 0.175 0.000 0.744 220 E CB 1.169 31.090 29.700 0.367 0.000 1.140 220 E HN 0.509 nan 8.360 nan 0.000 0.419 221 V N 3.486 123.366 119.914 -0.056 0.000 2.444 221 V HA 0.434 4.554 4.120 -0.000 0.000 0.294 221 V C 0.881 176.718 176.094 -0.428 0.000 1.022 221 V CA -0.219 61.898 62.300 -0.306 0.000 0.850 221 V CB 1.439 33.071 31.823 -0.320 0.000 0.992 221 V HN 0.922 nan 8.190 nan 0.000 0.426 222 G N 3.573 112.064 108.800 -0.516 0.000 2.390 222 G HA2 0.043 4.002 3.960 -0.000 0.000 0.299 222 G HA3 0.043 4.002 3.960 -0.000 0.000 0.299 222 G C 1.281 176.091 174.900 -0.149 0.000 1.002 222 G CA 1.090 46.024 45.100 -0.276 0.000 0.979 222 G HN 2.255 nan 8.290 nan 0.000 0.513 223 G N -1.318 107.377 108.800 -0.176 0.000 2.363 223 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.238 223 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.238 223 G C 0.546 175.117 174.900 -0.549 0.000 1.062 223 G CA 0.365 45.319 45.100 -0.243 0.000 0.629 223 G HN 1.232 nan 8.290 nan 0.000 0.514 224 I N 2.227 122.547 120.570 -0.416 0.000 2.556 224 I HA 0.238 4.408 4.170 -0.000 0.000 0.284 224 I C 0.416 176.126 176.117 -0.679 0.000 1.114 224 I CA -0.075 60.893 61.300 -0.552 0.000 1.418 224 I CB 0.094 37.799 38.000 -0.491 0.000 1.394 224 I HN 0.237 nan 8.210 nan 0.000 0.552 225 H N 6.304 125.164 119.070 -0.350 0.000 2.700 225 H HA 0.282 4.838 4.556 -0.000 0.000 0.269 225 H C -0.989 174.211 175.328 -0.214 0.000 1.222 225 H CA -0.439 55.482 56.048 -0.212 0.000 1.254 225 H CB -0.032 29.677 29.762 -0.088 0.000 1.413 225 H HN 0.351 nan 8.280 nan 0.000 0.507 226 Y N 3.066 123.442 120.300 0.125 0.000 2.620 226 Y HA -0.063 4.487 4.550 -0.000 0.000 0.352 226 Y C 1.759 177.738 175.900 0.132 0.000 1.140 226 Y CA -0.628 57.540 58.100 0.113 0.000 1.529 226 Y CB -0.121 38.387 38.460 0.080 0.000 1.321 226 Y HN 0.697 nan 8.280 nan 0.000 0.501 227 N N 1.940 120.773 118.700 0.222 0.000 2.142 227 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 227 N C 0.479 176.101 175.510 0.186 0.000 1.023 227 N CA 0.906 54.059 53.050 0.170 0.000 0.852 227 N CB 0.080 38.630 38.487 0.105 0.000 0.998 227 N HN 0.452 nan 8.380 nan 0.000 0.424 228 A N 0.388 123.339 122.820 0.218 0.000 2.316 228 A HA 0.672 4.992 4.320 -0.000 0.000 0.311 228 A C -0.208 177.619 177.584 0.406 0.000 1.339 228 A CA -0.251 51.929 52.037 0.239 0.000 0.960 228 A CB 0.216 19.275 19.000 0.097 0.000 1.152 228 A HN 0.568 nan 8.150 nan 0.000 0.547 229 A N 4.468 127.479 122.820 0.319 0.000 2.913 229 A HA 0.595 4.915 4.320 -0.000 0.000 0.284 229 A C -3.276 174.440 177.584 0.221 0.000 1.273 229 A CA -0.817 51.392 52.037 0.288 0.000 0.899 229 A CB 0.488 19.645 19.000 0.262 0.000 1.444 229 A HN 0.466 nan 8.150 nan 0.000 0.586 230 P HA 0.521 nan 4.420 nan 0.000 0.282 230 P C -0.466 176.841 177.300 0.012 0.000 1.262 230 P CA 0.016 63.068 63.100 -0.081 0.000 0.773 230 P CB 0.173 31.834 31.700 -0.065 0.000 0.879 231 F N 0.951 120.864 119.950 -0.062 0.000 2.509 231 F HA 0.668 5.195 4.527 -0.000 0.000 0.334 231 F C -0.073 175.586 175.800 -0.236 0.000 1.060 231 F CA -1.187 56.733 58.000 -0.133 0.000 0.997 231 F CB 1.087 39.886 39.000 -0.335 0.000 1.271 231 F HN 0.176 nan 8.300 nan 0.000 0.488 232 N N -0.800 117.941 118.700 0.068 0.000 2.357 232 N HA 0.694 5.434 4.740 -0.000 0.000 0.284 232 N C -1.590 173.793 175.510 -0.212 0.000 1.236 232 N CA -0.588 52.409 53.050 -0.088 0.000 0.774 232 N CB 2.433 40.885 38.487 -0.058 0.000 1.534 232 N HN 1.220 nan 8.380 nan 0.000 0.478 233 G N 1.178 109.821 108.800 -0.262 0.000 2.717 233 G HA2 0.360 4.320 3.960 -0.000 0.000 0.300 233 G HA3 0.360 4.320 3.960 -0.000 0.000 0.300 233 G C -1.167 173.536 174.900 -0.329 0.000 1.424 233 G CA -0.924 43.919 45.100 -0.429 0.000 1.033 233 G HN 0.660 nan 8.290 nan 0.000 0.577 234 W N 1.669 122.899 121.300 -0.117 0.000 2.317 234 W HA 0.469 5.129 4.660 0.000 0.000 0.350 234 W C -0.303 176.165 176.519 -0.086 0.000 1.258 234 W CA -1.058 56.229 57.345 -0.097 0.000 1.336 234 W CB 0.113 29.534 29.460 -0.066 0.000 1.201 234 W HN 0.543 nan 8.180 nan 0.000 0.599 235 Y N 2.280 122.677 120.300 0.162 0.000 2.336 235 Y HA 0.174 4.724 4.550 -0.000 0.000 0.331 235 Y C 0.962 176.880 175.900 0.031 0.000 1.211 235 Y CA -0.990 57.103 58.100 -0.012 0.000 1.346 235 Y CB 0.906 39.236 38.460 -0.216 0.000 1.271 235 Y HN 0.394 nan 8.280 nan 0.000 0.538 236 M N 2.330 122.084 119.600 0.256 0.000 2.363 236 M HA 0.300 4.780 4.480 -0.000 0.000 0.343 236 M C 1.044 177.330 176.300 -0.023 0.000 1.165 236 M CA -0.021 55.354 55.300 0.124 0.000 1.046 236 M CB 1.333 33.992 32.600 0.098 0.000 1.648 236 M HN 0.895 nan 8.290 nan 0.000 0.452 237 G N 0.802 109.584 108.800 -0.029 0.000 2.679 237 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 237 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 237 G C 1.111 175.934 174.900 -0.128 0.000 1.267 237 G CA 1.816 46.868 45.100 -0.080 0.000 0.799 237 G HN 0.874 nan 8.290 nan 0.000 0.606 238 T N -0.623 113.890 114.554 -0.069 0.000 3.026 238 T HA -0.048 4.302 4.350 -0.000 0.000 0.271 238 T C 1.824 176.412 174.700 -0.186 0.000 1.149 238 T CA 1.867 63.890 62.100 -0.129 0.000 1.088 238 T CB -0.321 68.456 68.868 -0.153 0.000 0.857 238 T HN 0.583 nan 8.240 nan 0.000 0.551 239 E N 0.664 120.739 120.200 -0.209 0.000 2.046 239 E HA 0.009 4.359 4.350 -0.000 0.000 0.190 239 E C 2.027 178.372 176.600 -0.426 0.000 0.982 239 E CA 1.330 57.586 56.400 -0.241 0.000 0.800 239 E CB -0.158 29.458 29.700 -0.140 0.000 0.756 239 E HN 0.619 nan 8.360 nan 0.000 0.449 240 I N 0.498 120.705 120.570 -0.605 0.000 2.272 240 I HA -0.045 4.125 4.170 -0.000 0.000 0.235 240 I C 2.640 178.477 176.117 -0.466 0.000 1.071 240 I CA 0.990 61.814 61.300 -0.794 0.000 1.374 240 I CB -0.706 36.760 38.000 -0.890 0.000 1.121 240 I HN 0.078 nan 8.210 nan 0.000 0.420 241 G N 0.395 109.017 108.800 -0.297 0.000 2.462 241 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.220 241 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.220 241 G C 1.600 176.418 174.900 -0.138 0.000 1.121 241 G CA 0.950 45.952 45.100 -0.163 0.000 0.758 241 G HN 0.508 nan 8.290 nan 0.000 0.559 242 A N -1.085 121.636 122.820 -0.165 0.000 2.197 242 A HA 0.414 4.734 4.320 -0.000 0.000 0.210 242 A C 2.349 179.846 177.584 -0.144 0.000 1.180 242 A CA 0.435 52.384 52.037 -0.147 0.000 0.846 242 A CB 0.236 19.137 19.000 -0.165 0.000 0.884 242 A HN 0.173 nan 8.150 nan 0.000 0.487 243 R N -0.428 119.971 120.500 -0.168 0.000 2.580 243 R HA 0.139 4.479 4.340 -0.000 0.000 0.169 243 R C 1.329 177.562 176.300 -0.112 0.000 1.399 243 R CA 0.765 56.783 56.100 -0.138 0.000 1.206 243 R CB -1.187 29.023 30.300 -0.150 0.000 1.215 243 R HN 0.371 nan 8.270 nan 0.000 0.486 244 N N 1.885 120.459 118.700 -0.210 0.000 2.060 244 N HA -0.188 4.552 4.740 -0.000 0.000 0.195 244 N C 2.021 177.521 175.510 -0.017 0.000 1.028 244 N CA 2.298 55.224 53.050 -0.207 0.000 0.861 244 N CB -0.798 37.141 38.487 -0.914 0.000 1.029 244 N HN 0.222 nan 8.380 nan 0.000 0.428 245 L N -0.675 120.478 121.223 -0.116 0.000 2.253 245 L HA 0.515 4.855 4.340 -0.000 0.000 0.205 245 L C 2.422 179.325 176.870 0.056 0.000 1.078 245 L CA 1.573 56.420 54.840 0.012 0.000 0.805 245 L CB -1.609 40.427 42.059 -0.039 0.000 0.963 245 L HN 0.345 nan 8.230 nan 0.000 0.459 246 A N -1.033 121.784 122.820 -0.005 0.000 1.935 246 A HA 0.099 4.419 4.320 -0.000 0.000 0.214 246 A C 0.946 178.531 177.584 0.003 0.000 1.178 246 A CA 0.512 52.544 52.037 -0.007 0.000 0.640 246 A CB -0.508 18.459 19.000 -0.056 0.000 0.825 246 A HN 0.577 nan 8.150 nan 0.000 0.447 247 D N 0.267 120.668 120.400 0.002 0.000 2.458 247 D HA 0.410 5.050 4.640 -0.000 0.000 0.243 247 D C 1.379 177.700 176.300 0.034 0.000 1.146 247 D CA 0.917 54.919 54.000 0.004 0.000 0.877 247 D CB 0.800 41.598 40.800 -0.004 0.000 1.176 247 D HN 0.426 nan 8.370 nan 0.000 0.461 248 E N 2.248 122.459 120.200 0.018 0.000 2.153 248 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 248 E C 1.939 178.552 176.600 0.021 0.000 0.988 248 E CA 1.876 58.292 56.400 0.026 0.000 0.811 248 E CB -0.838 28.873 29.700 0.018 0.000 0.746 248 E HN 0.498 nan 8.360 nan 0.000 0.466 249 K N 0.576 120.985 120.400 0.014 0.000 2.459 249 K HA 0.089 4.409 4.320 -0.000 0.000 0.193 249 K C 2.051 178.660 176.600 0.014 0.000 1.030 249 K CA 0.856 57.148 56.287 0.008 0.000 1.026 249 K CB -0.060 32.441 32.500 0.003 0.000 0.809 249 K HN 0.336 nan 8.250 nan 0.000 0.504 250 R N -1.811 118.717 120.500 0.047 0.000 1.806 250 R HA 0.277 4.617 4.340 -0.000 0.000 0.156 250 R C 1.210 177.545 176.300 0.058 0.000 1.954 250 R CA 0.816 56.977 56.100 0.102 0.000 1.548 250 R CB -0.655 29.759 30.300 0.189 0.000 1.149 250 R HN 0.400 nan 8.270 nan 0.000 0.478 251 Y N 0.349 120.703 120.300 0.089 0.000 2.483 251 Y HA 0.144 4.694 4.550 -0.000 0.000 0.258 251 Y C -0.398 175.538 175.900 0.060 0.000 1.083 251 Y CA -0.198 57.952 58.100 0.083 0.000 1.283 251 Y CB 0.553 39.099 38.460 0.143 0.000 1.178 251 Y HN 0.290 nan 8.280 nan 0.000 0.515 252 D N 0.953 121.468 120.400 0.192 0.000 3.082 252 D HA -0.193 4.447 4.640 -0.000 0.000 0.234 252 D C 0.502 176.885 176.300 0.139 0.000 1.159 252 D CA 1.244 55.319 54.000 0.124 0.000 0.875 252 D CB -0.487 40.364 40.800 0.084 0.000 0.946 252 D HN 0.471 nan 8.370 nan 0.000 0.411 253 K N 1.513 121.996 120.400 0.139 0.000 2.402 253 K HA 0.307 4.627 4.320 -0.000 0.000 0.204 253 K C 2.004 178.677 176.600 0.121 0.000 1.056 253 K CA 0.347 56.714 56.287 0.133 0.000 1.069 253 K CB -0.224 32.362 32.500 0.143 0.000 0.888 253 K HN 0.419 nan 8.250 nan 0.000 0.546 254 L N 0.537 121.828 121.223 0.114 0.000 2.265 254 L HA -0.181 4.158 4.340 -0.000 0.000 0.215 254 L C 3.251 180.290 176.870 0.282 0.000 1.117 254 L CA 1.850 56.772 54.840 0.137 0.000 0.782 254 L CB -0.451 41.631 42.059 0.038 0.000 0.914 254 L HN 0.559 nan 8.230 nan 0.000 0.441 255 K N 0.619 121.175 120.400 0.258 0.000 2.062 255 K HA -0.121 4.199 4.320 -0.000 0.000 0.205 255 K C 2.382 179.060 176.600 0.131 0.000 1.051 255 K CA 1.651 58.080 56.287 0.236 0.000 0.941 255 K CB -0.960 31.637 32.500 0.162 0.000 0.719 255 K HN 0.407 nan 8.250 nan 0.000 0.440 256 K N 0.562 121.031 120.400 0.114 0.000 2.155 256 K HA 0.191 4.511 4.320 -0.000 0.000 0.203 256 K C 2.433 179.078 176.600 0.075 0.000 1.052 256 K CA 1.247 57.581 56.287 0.079 0.000 0.948 256 K CB -0.831 31.718 32.500 0.081 0.000 0.728 256 K HN 0.224 nan 8.250 nan 0.000 0.448 257 V N 1.031 121.004 119.914 0.098 0.000 2.307 257 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 257 V C 2.898 179.041 176.094 0.081 0.000 1.045 257 V CA 1.835 64.183 62.300 0.080 0.000 1.024 257 V CB -0.709 31.164 31.823 0.084 0.000 0.651 257 V HN 0.629 nan 8.190 nan 0.000 0.449 258 A N -0.996 121.913 122.820 0.149 0.000 2.125 258 A HA -0.179 4.140 4.320 -0.000 0.000 0.219 258 A C 2.472 180.075 177.584 0.033 0.000 1.156 258 A CA 1.915 54.039 52.037 0.146 0.000 0.671 258 A CB -0.462 18.725 19.000 0.311 0.000 0.794 258 A HN 0.475 nan 8.150 nan 0.000 0.459 259 S N -0.512 115.199 115.700 0.019 0.000 2.371 259 S HA -0.084 4.386 4.470 -0.000 0.000 0.221 259 S C 1.951 176.545 174.600 -0.010 0.000 1.036 259 S CA 1.389 59.581 58.200 -0.013 0.000 0.965 259 S CB -0.522 62.673 63.200 -0.008 0.000 0.845 259 S HN 0.852 nan 8.310 nan 0.000 0.475 260 V N 1.750 121.664 119.914 0.000 0.000 2.809 260 V HA 0.092 4.212 4.120 -0.000 0.000 0.256 260 V C 1.963 178.037 176.094 -0.032 0.000 1.080 260 V CA 1.456 63.749 62.300 -0.011 0.000 1.102 260 V CB -1.201 30.620 31.823 -0.003 0.000 0.705 260 V HN 0.719 nan 8.190 nan 0.000 0.475 261 I N -1.544 119.006 120.570 -0.034 0.000 3.419 261 I HA 0.551 4.721 4.170 -0.000 0.000 0.286 261 I C 1.587 177.682 176.117 -0.038 0.000 1.268 261 I CA 0.706 61.971 61.300 -0.058 0.000 1.414 261 I CB -0.442 37.521 38.000 -0.062 0.000 1.074 261 I HN 0.408 nan 8.210 nan 0.000 0.457 262 G N 1.955 110.739 108.800 -0.026 0.000 2.160 262 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.244 262 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.244 262 G C -0.011 174.876 174.900 -0.022 0.000 1.022 262 G CA 0.338 45.422 45.100 -0.026 0.000 0.741 262 G HN 0.808 nan 8.290 nan 0.000 0.508 263 I N -0.942 119.620 120.570 -0.013 0.000 2.822 263 I HA 0.939 5.109 4.170 -0.000 0.000 0.312 263 I C 1.005 177.095 176.117 -0.045 0.000 1.011 263 I CA 0.276 61.576 61.300 -0.001 0.000 1.105 263 I CB 1.477 39.506 38.000 0.049 0.000 1.291 263 I HN 1.165 nan 8.210 nan 0.000 0.474 264 S N -0.286 115.384 115.700 -0.050 0.000 3.830 264 S HA 0.102 4.572 4.470 -0.000 0.000 0.172 264 S C 1.820 176.338 174.600 -0.136 0.000 0.966 264 S CA 1.172 59.280 58.200 -0.154 0.000 1.124 264 S CB -0.507 62.615 63.200 -0.131 0.000 1.697 264 S HN 1.872 nan 8.310 nan 0.000 0.872 265 T N 2.478 117.001 114.554 -0.053 0.000 2.443 265 T HA 0.016 4.366 4.350 -0.000 0.000 0.248 265 T C 0.747 175.553 174.700 0.176 0.000 1.247 265 T CA 1.343 63.461 62.100 0.030 0.000 1.261 265 T CB -1.450 67.435 68.868 0.029 0.000 0.867 265 T HN 0.915 nan 8.240 nan 0.000 0.394 266 N N -1.174 117.609 118.700 0.137 0.000 3.378 266 N HA 0.485 5.225 4.740 -0.000 0.000 0.294 266 N C -0.507 175.058 175.510 0.091 0.000 1.544 266 N CA -0.407 52.734 53.050 0.152 0.000 0.872 266 N CB 0.633 39.200 38.487 0.135 0.000 1.670 266 N HN 0.651 nan 8.380 nan 0.000 0.551 267 Y N -1.053 119.292 120.300 0.075 0.000 3.017 267 Y HA 0.351 4.901 4.550 -0.000 0.000 0.267 267 Y C 1.104 177.028 175.900 0.040 0.000 1.967 267 Y CA -0.019 58.112 58.100 0.052 0.000 1.048 267 Y CB -0.733 37.758 38.460 0.051 0.000 2.447 267 Y HN 0.566 nan 8.280 nan 0.000 0.389 268 N N 0.444 119.165 118.700 0.035 0.000 2.058 268 N HA -0.201 4.539 4.740 -0.000 0.000 0.200 268 N C 1.532 177.059 175.510 0.028 0.000 1.033 268 N CA 2.780 55.847 53.050 0.030 0.000 0.880 268 N CB -1.058 37.446 38.487 0.029 0.000 1.069 268 N HN 0.754 nan 8.380 nan 0.000 0.461 269 T N -0.202 114.369 114.554 0.029 0.000 2.612 269 T HA -0.058 4.292 4.350 -0.000 0.000 0.251 269 T C 1.376 176.088 174.700 0.020 0.000 1.090 269 T CA 1.455 63.570 62.100 0.025 0.000 1.198 269 T CB -0.145 68.737 68.868 0.024 0.000 0.878 269 T HN 0.284 nan 8.240 nan 0.000 0.401 270 D N -1.107 119.302 120.400 0.015 0.000 2.874 270 D HA 0.376 5.015 4.640 -0.000 0.000 0.165 270 D C -0.023 176.288 176.300 0.019 0.000 1.410 270 D CA -0.236 53.770 54.000 0.010 0.000 1.561 270 D CB -0.105 40.689 40.800 -0.009 0.000 1.417 270 D HN 0.142 nan 8.370 nan 0.000 0.196 271 L N 0.598 121.818 121.223 -0.004 0.000 2.293 271 L HA 0.344 4.684 4.340 -0.000 0.000 0.264 271 L C 1.364 178.260 176.870 0.043 0.000 1.029 271 L CA -0.981 53.873 54.840 0.023 0.000 0.897 271 L CB 1.049 43.090 42.059 -0.030 0.000 1.497 271 L HN 0.453 nan 8.230 nan 0.000 0.495 272 W N -0.333 120.968 121.300 0.001 0.000 2.418 272 W HA -0.028 4.632 4.660 -0.000 0.000 0.292 272 W C 1.378 177.896 176.519 -0.003 0.000 1.213 272 W CA 0.655 57.999 57.345 -0.002 0.000 1.283 272 W CB -0.515 28.943 29.460 -0.002 0.000 1.119 272 W HN 0.484 nan 8.180 nan 0.000 0.542 273 K N 1.007 120.861 120.400 -0.911 0.000 2.057 273 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 273 K C 1.525 177.927 176.600 -0.331 0.000 1.050 273 K CA 2.221 58.013 56.287 -0.825 0.000 0.935 273 K CB -0.301 31.630 32.500 -0.948 0.000 0.715 273 K HN -0.020 nan 8.250 nan 0.000 0.439 274 D N 0.532 120.781 120.400 -0.251 0.000 2.123 274 D HA -0.218 4.422 4.640 -0.000 0.000 0.196 274 D C 1.939 178.203 176.300 -0.061 0.000 0.992 274 D CA 1.221 55.144 54.000 -0.128 0.000 0.833 274 D CB -0.004 40.743 40.800 -0.088 0.000 0.954 274 D HN 0.232 nan 8.370 nan 0.000 0.455 275 Q N 0.139 119.926 119.800 -0.022 0.000 2.020 275 Q HA -0.047 4.292 4.340 -0.000 0.000 0.198 275 Q C 2.115 178.131 176.000 0.027 0.000 0.974 275 Q CA 1.330 57.148 55.803 0.025 0.000 0.829 275 Q CB -0.167 28.611 28.738 0.067 0.000 0.894 275 Q HN 0.245 nan 8.270 nan 0.000 0.433 276 A N 0.616 123.461 122.820 0.041 0.000 1.986 276 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 276 A C 1.999 179.590 177.584 0.010 0.000 1.171 276 A CA 1.242 53.310 52.037 0.052 0.000 0.640 276 A CB -0.658 18.407 19.000 0.109 0.000 0.811 276 A HN 0.481 nan 8.150 nan 0.000 0.451 277 L N -1.109 120.096 121.223 -0.030 0.000 2.072 277 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 277 L C 2.465 179.332 176.870 -0.006 0.000 1.079 277 L CA 0.782 55.598 54.840 -0.040 0.000 0.752 277 L CB -0.289 41.720 42.059 -0.084 0.000 0.906 277 L HN 0.237 nan 8.230 nan 0.000 0.436 278 V N -0.566 119.354 119.914 0.009 0.000 2.515 278 V HA -0.194 3.925 4.120 -0.000 0.000 0.250 278 V C 2.392 178.530 176.094 0.073 0.000 1.058 278 V CA 1.383 63.710 62.300 0.046 0.000 1.064 278 V CB -0.360 31.492 31.823 0.049 0.000 0.675 278 V HN 0.401 nan 8.190 nan 0.000 0.461 279 E N -0.471 119.765 120.200 0.060 0.000 2.158 279 E HA -0.077 4.273 4.350 -0.000 0.000 0.191 279 E C 1.993 178.666 176.600 0.122 0.000 0.982 279 E CA 0.657 57.104 56.400 0.079 0.000 0.823 279 E CB -0.040 29.653 29.700 -0.011 0.000 0.766 279 E HN 0.435 nan 8.360 nan 0.000 0.468 280 L N 1.530 122.799 121.223 0.076 0.000 2.162 280 L HA 0.034 4.374 4.340 -0.000 0.000 0.205 280 L C 1.551 178.467 176.870 0.075 0.000 1.086 280 L CA 1.364 56.250 54.840 0.076 0.000 0.778 280 L CB -0.500 41.581 42.059 0.037 0.000 0.928 280 L HN -0.043 nan 8.230 nan 0.000 0.446 281 N N -0.143 118.590 118.700 0.056 0.000 2.309 281 N HA -0.161 4.579 4.740 -0.000 0.000 0.182 281 N C 1.692 177.254 175.510 0.086 0.000 1.018 281 N CA 0.948 54.029 53.050 0.052 0.000 0.876 281 N CB 0.048 38.565 38.487 0.051 0.000 0.972 281 N HN 0.439 nan 8.380 nan 0.000 0.434 282 K N 0.958 121.423 120.400 0.108 0.000 1.984 282 K HA 0.003 4.323 4.320 -0.000 0.000 0.209 282 K C 2.169 178.825 176.600 0.094 0.000 1.046 282 K CA 1.207 57.551 56.287 0.094 0.000 0.934 282 K CB -0.160 32.401 32.500 0.101 0.000 0.717 282 K HN 0.053 nan 8.250 nan 0.000 0.438 283 A N 1.129 124.028 122.820 0.131 0.000 1.859 283 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 283 A C 2.387 180.106 177.584 0.225 0.000 1.198 283 A CA 1.965 54.099 52.037 0.162 0.000 0.629 283 A CB -1.026 18.111 19.000 0.229 0.000 0.830 283 A HN 0.099 nan 8.150 nan 0.000 0.446 284 V N 0.011 120.028 119.914 0.171 0.000 2.324 284 V HA -0.304 3.815 4.120 -0.000 0.000 0.250 284 V C 2.568 178.813 176.094 0.251 0.000 1.060 284 V CA 2.167 64.585 62.300 0.198 0.000 1.042 284 V CB -0.820 31.071 31.823 0.113 0.000 0.650 284 V HN 0.563 nan 8.190 nan 0.000 0.450 285 L N -1.409 119.911 121.223 0.161 0.000 2.141 285 L HA -0.175 4.164 4.340 -0.000 0.000 0.209 285 L C 2.452 179.407 176.870 0.143 0.000 1.094 285 L CA 1.815 56.730 54.840 0.126 0.000 0.763 285 L CB -0.553 41.552 42.059 0.077 0.000 0.908 285 L HN 0.509 nan 8.230 nan 0.000 0.437 286 Y N -0.140 120.176 120.300 0.027 0.000 2.220 286 Y HA -0.172 4.378 4.550 -0.000 0.000 0.291 286 Y C 2.627 178.529 175.900 0.004 0.000 1.129 286 Y CA 1.621 59.713 58.100 -0.012 0.000 1.161 286 Y CB -0.144 38.267 38.460 -0.081 0.000 0.997 286 Y HN 0.007 nan 8.280 nan 0.000 0.522 287 S N -0.314 115.332 115.700 -0.090 0.000 2.368 287 S HA -0.163 4.307 4.470 -0.000 0.000 0.224 287 S C 1.683 176.165 174.600 -0.196 0.000 1.029 287 S CA 1.365 59.433 58.200 -0.220 0.000 0.988 287 S CB -0.678 62.496 63.200 -0.043 0.000 0.838 287 S HN 0.585 nan 8.310 nan 0.000 0.462 288 Y N 1.769 122.011 120.300 -0.097 0.000 2.242 288 Y HA -0.113 4.437 4.550 -0.000 0.000 0.291 288 Y C 2.441 178.281 175.900 -0.099 0.000 1.137 288 Y CA 1.440 59.502 58.100 -0.062 0.000 1.181 288 Y CB -0.103 38.348 38.460 -0.014 0.000 0.989 288 Y HN 0.076 nan 8.280 nan 0.000 0.527 289 K N 1.241 121.650 120.400 0.014 0.000 2.148 289 K HA -0.167 4.153 4.320 -0.000 0.000 0.204 289 K C 1.973 178.490 176.600 -0.138 0.000 1.050 289 K CA 1.441 57.692 56.287 -0.060 0.000 0.942 289 K CB -0.232 32.228 32.500 -0.066 0.000 0.724 289 K HN 0.181 nan 8.250 nan 0.000 0.446 290 K N 0.386 120.632 120.400 -0.256 0.000 2.002 290 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 290 K C 2.011 178.507 176.600 -0.174 0.000 1.048 290 K CA 1.810 57.924 56.287 -0.288 0.000 0.930 290 K CB -0.137 32.087 32.500 -0.459 0.000 0.714 290 K HN 0.296 nan 8.250 nan 0.000 0.438 291 Q N -0.774 118.932 119.800 -0.158 0.000 2.482 291 Q HA 0.005 4.345 4.340 -0.000 0.000 0.209 291 Q C 0.662 176.622 176.000 -0.068 0.000 0.961 291 Q CA 0.700 56.435 55.803 -0.114 0.000 0.945 291 Q CB 0.120 28.773 28.738 -0.143 0.000 1.012 291 Q HN 0.673 nan 8.270 nan 0.000 0.515 292 G N -0.239 108.526 108.800 -0.059 0.000 2.234 292 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 292 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 292 G C 0.126 175.021 174.900 -0.008 0.000 0.987 292 G CA 0.299 45.375 45.100 -0.040 0.000 0.625 292 G HN 0.274 nan 8.290 nan 0.000 0.532 293 V N 2.714 122.652 119.914 0.039 0.000 2.485 293 V HA 0.358 4.478 4.120 -0.000 0.000 0.287 293 V C 1.303 177.476 176.094 0.133 0.000 1.022 293 V CA 0.529 62.907 62.300 0.129 0.000 1.067 293 V CB 0.929 32.908 31.823 0.261 0.000 0.967 293 V HN 0.491 nan 8.190 nan 0.000 0.479 294 S N 5.563 121.284 115.700 0.034 0.000 2.559 294 S HA 0.402 4.872 4.470 -0.000 0.000 0.282 294 S C -0.127 174.435 174.600 -0.063 0.000 1.336 294 S CA 0.152 58.283 58.200 -0.116 0.000 1.037 294 S CB 0.287 63.334 63.200 -0.255 0.000 0.853 294 S HN 0.691 nan 8.310 nan 0.000 0.523 295 I N 1.395 121.852 120.570 -0.188 0.000 2.739 295 I HA 0.342 4.512 4.170 -0.000 0.000 0.288 295 I C -1.508 174.556 176.117 -0.088 0.000 1.582 295 I CA -0.471 60.775 61.300 -0.091 0.000 1.035 295 I CB 1.274 39.206 38.000 -0.114 0.000 1.432 295 I HN 0.493 nan 8.210 nan 0.000 0.444 296 V N 6.564 126.519 119.914 0.069 0.000 2.715 296 V HA 0.567 4.687 4.120 -0.000 0.000 0.310 296 V C -1.057 175.088 176.094 0.084 0.000 1.054 296 V CA -0.319 62.044 62.300 0.105 0.000 0.928 296 V CB 2.120 34.127 31.823 0.308 0.000 1.007 296 V HN 0.781 nan 8.190 nan 0.000 0.437 297 D N 4.496 124.922 120.400 0.043 0.000 2.253 297 D HA 0.162 4.802 4.640 -0.000 0.000 0.249 297 D C 1.148 177.421 176.300 -0.046 0.000 1.049 297 D CA -0.223 53.761 54.000 -0.027 0.000 0.929 297 D CB 0.945 41.694 40.800 -0.085 0.000 1.176 297 D HN 0.830 nan 8.370 nan 0.000 0.437 298 H N 1.429 120.459 119.070 -0.066 0.000 2.426 298 H HA -0.207 4.349 4.556 -0.000 0.000 0.298 298 H C 0.788 176.071 175.328 -0.075 0.000 1.107 298 H CA 1.577 57.558 56.048 -0.112 0.000 1.298 298 H CB -0.684 28.951 29.762 -0.211 0.000 1.377 298 H HN 0.616 nan 8.280 nan 0.000 0.519 299 H N 0.562 119.464 119.070 -0.280 0.000 2.307 299 H HA -0.033 4.523 4.556 -0.000 0.000 0.303 299 H C 2.210 177.529 175.328 -0.015 0.000 1.073 299 H CA 1.937 57.914 56.048 -0.120 0.000 1.338 299 H CB 0.172 29.812 29.762 -0.204 0.000 1.389 299 H HN 0.295 nan 8.280 nan 0.000 0.503 300 T N 0.272 114.896 114.554 0.118 0.000 2.951 300 T HA -0.061 4.289 4.350 -0.000 0.000 0.268 300 T C 2.219 177.011 174.700 0.153 0.000 1.073 300 T CA 0.757 62.928 62.100 0.119 0.000 1.134 300 T CB -0.266 68.662 68.868 0.099 0.000 0.884 300 T HN 0.443 nan 8.240 nan 0.000 0.479 301 A N 1.490 124.401 122.820 0.151 0.000 1.877 301 A HA 0.189 4.509 4.320 -0.000 0.000 0.216 301 A C 2.567 180.247 177.584 0.159 0.000 1.186 301 A CA 1.667 53.807 52.037 0.172 0.000 0.620 301 A CB -0.952 18.131 19.000 0.137 0.000 0.822 301 A HN 0.491 nan 8.150 nan 0.000 0.443 302 A N -1.416 121.496 122.820 0.153 0.000 2.066 302 A HA 0.082 4.402 4.320 -0.000 0.000 0.218 302 A C 2.291 179.993 177.584 0.195 0.000 1.157 302 A CA 1.639 53.793 52.037 0.194 0.000 0.670 302 A CB -0.490 18.617 19.000 0.179 0.000 0.804 302 A HN 0.400 nan 8.150 nan 0.000 0.453 303 S N -0.864 114.930 115.700 0.157 0.000 2.446 303 S HA -0.062 4.408 4.470 -0.000 0.000 0.225 303 S C 2.020 176.685 174.600 0.109 0.000 1.016 303 S CA 0.926 59.201 58.200 0.125 0.000 0.943 303 S CB -0.106 63.158 63.200 0.106 0.000 0.786 303 S HN 0.716 nan 8.310 nan 0.000 0.508 304 Q N -0.788 119.088 119.800 0.127 0.000 2.163 304 Q HA 0.086 4.426 4.340 -0.000 0.000 0.198 304 Q C 1.536 177.578 176.000 0.070 0.000 0.954 304 Q CA 0.781 56.625 55.803 0.068 0.000 0.851 304 Q CB -0.138 28.651 28.738 0.083 0.000 0.928 304 Q HN 0.517 nan 8.270 nan 0.000 0.459 305 F N 2.572 122.496 119.950 -0.043 0.000 2.365 305 F HA -0.113 4.414 4.527 -0.000 0.000 0.300 305 F C 2.106 177.914 175.800 0.014 0.000 1.090 305 F CA 1.086 59.056 58.000 -0.050 0.000 1.408 305 F CB -0.034 38.908 39.000 -0.097 0.000 1.060 305 F HN -0.085 nan 8.300 nan 0.000 0.534 306 K N 1.449 121.844 120.400 -0.008 0.000 2.148 306 K HA -0.214 4.106 4.320 -0.000 0.000 0.204 306 K C 2.162 178.714 176.600 -0.080 0.000 1.050 306 K CA 1.629 57.876 56.287 -0.067 0.000 0.942 306 K CB -0.496 32.018 32.500 0.025 0.000 0.724 306 K HN 0.442 nan 8.250 nan 0.000 0.446 307 R N -0.494 119.987 120.500 -0.032 0.000 2.115 307 R HA -0.090 4.250 4.340 -0.000 0.000 0.226 307 R C 2.185 178.486 176.300 0.002 0.000 1.100 307 R CA 0.864 56.954 56.100 -0.016 0.000 0.980 307 R CB -0.827 29.471 30.300 -0.003 0.000 0.875 307 R HN 0.127 nan 8.270 nan 0.000 0.445 308 F N 3.733 123.563 119.950 -0.199 0.000 2.091 308 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 308 F C 1.991 177.668 175.800 -0.205 0.000 1.103 308 F CA 2.144 60.026 58.000 -0.197 0.000 1.228 308 F CB -0.503 38.350 39.000 -0.245 0.000 0.984 308 F HN 0.257 nan 8.300 nan 0.000 0.477 309 E N -0.086 119.878 120.200 -0.393 0.000 2.209 309 E HA -0.213 4.136 4.350 -0.000 0.000 0.196 309 E C 1.728 178.193 176.600 -0.225 0.000 0.993 309 E CA 1.812 57.985 56.400 -0.379 0.000 0.819 309 E CB -0.864 28.702 29.700 -0.223 0.000 0.745 309 E HN 0.631 nan 8.360 nan 0.000 0.477 310 E N 0.666 120.780 120.200 -0.143 0.000 2.016 310 E HA -0.184 4.166 4.350 -0.000 0.000 0.190 310 E C 2.225 178.776 176.600 -0.082 0.000 0.985 310 E CA 1.252 57.608 56.400 -0.074 0.000 0.802 310 E CB -0.180 29.497 29.700 -0.039 0.000 0.762 310 E HN 0.257 nan 8.360 nan 0.000 0.448 311 Q N 0.537 120.294 119.800 -0.071 0.000 2.234 311 Q HA -0.173 4.167 4.340 -0.000 0.000 0.206 311 Q C 1.883 177.835 176.000 -0.080 0.000 0.980 311 Q CA 1.130 56.919 55.803 -0.023 0.000 0.869 311 Q CB 0.124 28.916 28.738 0.090 0.000 0.912 311 Q HN 0.183 nan 8.270 nan 0.000 0.436 312 E N -0.137 119.918 120.200 -0.243 0.000 2.086 312 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 312 E C 1.869 178.369 176.600 -0.165 0.000 0.975 312 E CA 0.850 57.081 56.400 -0.283 0.000 0.813 312 E CB -0.069 29.304 29.700 -0.546 0.000 0.768 312 E HN 0.322 nan 8.360 nan 0.000 0.457 313 E N 2.019 122.135 120.200 -0.139 0.000 2.058 313 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 313 E C 1.711 178.279 176.600 -0.053 0.000 0.997 313 E CA 1.777 58.129 56.400 -0.080 0.000 0.801 313 E CB -0.068 29.602 29.700 -0.051 0.000 0.746 313 E HN 0.295 nan 8.360 nan 0.000 0.450 314 E N 0.179 120.353 120.200 -0.044 0.000 2.028 314 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 314 E C 2.193 178.782 176.600 -0.017 0.000 0.988 314 E CA 1.002 57.388 56.400 -0.023 0.000 0.799 314 E CB -0.361 29.331 29.700 -0.014 0.000 0.755 314 E HN 0.392 nan 8.360 nan 0.000 0.447 315 A N 0.232 123.044 122.820 -0.014 0.000 1.948 315 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 315 A C 2.048 179.627 177.584 -0.008 0.000 1.177 315 A CA 2.231 54.272 52.037 0.007 0.000 0.636 315 A CB -0.589 18.433 19.000 0.037 0.000 0.815 315 A HN 0.469 nan 8.150 nan 0.000 0.449 316 G N -2.218 106.564 108.800 -0.031 0.000 2.909 316 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.198 316 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.198 316 G C 0.358 175.228 174.900 -0.049 0.000 1.124 316 G CA -0.053 45.027 45.100 -0.033 0.000 0.796 316 G HN 0.595 nan 8.290 nan 0.000 0.489 317 R N 1.522 121.984 120.500 -0.063 0.000 2.694 317 R HA 0.537 4.877 4.340 -0.000 0.000 0.268 317 R C 0.069 176.305 176.300 -0.107 0.000 1.061 317 R CA 0.202 56.252 56.100 -0.083 0.000 1.133 317 R CB 0.418 30.656 30.300 -0.104 0.000 1.020 317 R HN 0.121 nan 8.270 nan 0.000 0.475 318 K N 2.097 122.445 120.400 -0.088 0.000 2.130 318 K HA 0.245 4.565 4.320 -0.000 0.000 0.268 318 K C -0.403 176.141 176.600 -0.093 0.000 0.983 318 K CA -1.031 55.207 56.287 -0.082 0.000 0.893 318 K CB 1.209 33.683 32.500 -0.043 0.000 1.066 318 K HN 0.270 nan 8.250 nan 0.000 0.450 319 L N 2.057 123.218 121.223 -0.103 0.000 2.380 319 L HA 0.192 4.532 4.340 -0.000 0.000 0.273 319 L C 0.112 176.997 176.870 0.025 0.000 1.138 319 L CA 0.336 55.133 54.840 -0.072 0.000 0.832 319 L CB 0.816 42.810 42.059 -0.109 0.000 1.124 319 L HN 0.783 nan 8.230 nan 0.000 0.454 320 T N 2.075 116.665 114.554 0.061 0.000 2.845 320 T HA 0.737 5.087 4.350 -0.000 0.000 0.288 320 T C 0.413 175.187 174.700 0.124 0.000 0.980 320 T CA -0.246 61.900 62.100 0.076 0.000 1.071 320 T CB 1.071 69.973 68.868 0.056 0.000 0.941 320 T HN 0.853 nan 8.240 nan 0.000 0.487 321 G N 0.580 109.449 108.800 0.115 0.000 2.543 321 G HA2 0.519 4.479 3.960 -0.000 0.000 0.290 321 G HA3 0.519 4.479 3.960 -0.000 0.000 0.290 321 G C -0.629 174.347 174.900 0.127 0.000 1.310 321 G CA -0.616 44.561 45.100 0.127 0.000 1.025 321 G HN 0.877 nan 8.290 nan 0.000 0.502 322 D N -2.166 118.329 120.400 0.158 0.000 3.642 322 D HA -0.106 4.534 4.640 -0.000 0.000 0.162 322 D C 0.227 176.668 176.300 0.235 0.000 1.172 322 D CA -0.545 53.555 54.000 0.167 0.000 1.691 322 D CB -1.024 39.818 40.800 0.071 0.000 0.896 322 D HN 0.371 nan 8.370 nan 0.000 0.855 323 W N 1.333 122.696 121.300 0.105 0.000 2.335 323 W HA -0.190 4.470 4.660 -0.000 0.000 0.311 323 W C 2.271 178.885 176.519 0.159 0.000 1.213 323 W CA 2.320 59.739 57.345 0.123 0.000 1.274 323 W CB -0.300 29.244 29.460 0.141 0.000 1.148 323 W HN 0.327 nan 8.180 nan 0.000 0.498 324 T N -0.916 113.896 114.554 0.431 0.000 2.685 324 T HA -0.305 4.045 4.350 -0.000 0.000 0.268 324 T C 1.355 176.107 174.700 0.088 0.000 1.034 324 T CA 2.400 64.673 62.100 0.289 0.000 1.149 324 T CB -0.575 68.516 68.868 0.372 0.000 0.860 324 T HN 0.321 nan 8.240 nan 0.000 0.449 325 W N 0.661 121.926 121.300 -0.058 0.000 2.494 325 W HA 0.393 5.053 4.660 -0.000 0.000 0.286 325 W C 1.040 177.454 176.519 -0.174 0.000 1.218 325 W CA -0.330 56.963 57.345 -0.088 0.000 1.313 325 W CB -0.352 29.086 29.460 -0.037 0.000 1.105 325 W HN 0.175 nan 8.180 nan 0.000 0.561 326 L N 2.297 123.525 121.223 0.008 0.000 2.356 326 L HA 0.338 4.677 4.340 -0.000 0.000 0.282 326 L C -0.633 176.041 176.870 -0.328 0.000 1.132 326 L CA 0.091 54.837 54.840 -0.157 0.000 0.923 326 L CB -0.311 41.648 42.059 -0.167 0.000 1.278 326 L HN -0.172 nan 8.230 nan 0.000 0.436 327 I N 4.991 125.374 120.570 -0.311 0.000 2.718 327 I HA 0.187 4.357 4.170 -0.000 0.000 0.285 327 I C -2.595 173.365 176.117 -0.261 0.000 1.680 327 I CA -1.162 59.922 61.300 -0.360 0.000 1.068 327 I CB 2.337 39.921 38.000 -0.694 0.000 1.544 327 I HN 0.281 nan 8.210 nan 0.000 0.443 328 P HA 0.123 nan 4.420 nan 0.000 0.255 328 P C -2.390 174.743 177.300 -0.279 0.000 1.173 328 P CA -0.320 62.633 63.100 -0.246 0.000 0.780 328 P CB -0.122 31.393 31.700 -0.308 0.000 0.758 329 P HA 0.031 nan 4.420 nan 0.000 0.271 329 P C 1.195 178.352 177.300 -0.237 0.000 1.216 329 P CA 0.592 63.555 63.100 -0.228 0.000 0.771 329 P CB 0.337 31.911 31.700 -0.210 0.000 0.864 330 I N 0.309 120.764 120.570 -0.191 0.000 4.242 330 I HA -0.281 3.888 4.170 -0.000 0.000 0.173 330 I C 0.463 176.466 176.117 -0.190 0.000 1.359 330 I CA 1.770 62.967 61.300 -0.173 0.000 1.270 330 I CB -2.725 35.174 38.000 -0.168 0.000 1.939 330 I HN 0.443 nan 8.210 nan 0.000 0.247 331 S N 1.653 117.196 115.700 -0.263 0.000 2.472 331 S HA 0.712 5.182 4.470 -0.000 0.000 0.303 331 S C -1.280 173.226 174.600 -0.157 0.000 1.099 331 S CA -0.228 57.799 58.200 -0.288 0.000 1.077 331 S CB 1.964 64.747 63.200 -0.695 0.000 1.031 331 S HN 0.716 nan 8.310 nan 0.000 0.487 332 P HA 0.148 nan 4.420 nan 0.000 0.253 332 P C 0.178 177.512 177.300 0.057 0.000 1.260 332 P CA 0.052 63.161 63.100 0.016 0.000 0.800 332 P CB -0.185 31.540 31.700 0.043 0.000 1.162 333 A N 1.071 123.914 122.820 0.039 0.000 2.507 333 A HA 0.404 4.724 4.320 -0.000 0.000 0.235 333 A C 0.681 178.336 177.584 0.118 0.000 1.070 333 A CA 0.609 52.715 52.037 0.115 0.000 0.768 333 A CB -0.409 18.686 19.000 0.159 0.000 1.011 333 A HN 0.317 nan 8.150 nan 0.000 0.502 334 A N 1.955 124.875 122.820 0.168 0.000 1.884 334 A HA 0.483 4.803 4.320 -0.000 0.000 0.243 334 A C 0.330 178.031 177.584 0.196 0.000 1.556 334 A CA 0.120 52.281 52.037 0.207 0.000 1.608 334 A CB -1.263 17.895 19.000 0.263 0.000 0.932 334 A HN 2.112 nan 8.150 nan 0.000 0.813 335 T N -0.932 113.729 114.554 0.178 0.000 2.906 335 T HA -0.126 4.224 4.350 -0.000 0.000 0.437 335 T C 1.314 176.092 174.700 0.129 0.000 1.055 335 T CA 1.521 63.695 62.100 0.123 0.000 1.150 335 T CB -0.205 68.737 68.868 0.123 0.000 1.167 335 T HN 0.599 nan 8.240 nan 0.000 0.518 336 H N -0.751 118.352 119.070 0.055 0.000 2.255 336 H HA -0.049 4.507 4.556 -0.000 0.000 0.290 336 H C 1.061 176.346 175.328 -0.072 0.000 1.087 336 H CA 1.741 57.786 56.048 -0.005 0.000 1.213 336 H CB -0.086 29.658 29.762 -0.030 0.000 1.349 336 H HN 0.309 nan 8.280 nan 0.000 0.487 337 I N -1.927 118.656 120.570 0.021 0.000 3.540 337 I HA 0.028 4.198 4.170 -0.000 0.000 0.288 337 I C 0.674 176.740 176.117 -0.086 0.000 1.169 337 I CA -0.463 60.685 61.300 -0.254 0.000 1.038 337 I CB 0.478 38.149 38.000 -0.548 0.000 1.338 337 I HN 0.048 nan 8.210 nan 0.000 0.507 338 F N 0.766 120.786 119.950 0.115 0.000 2.054 338 F HA -0.331 4.196 4.527 -0.000 0.000 0.294 338 F C 0.894 176.806 175.800 0.187 0.000 1.126 338 F CA 1.987 60.063 58.000 0.126 0.000 1.226 338 F CB -0.874 38.169 39.000 0.071 0.000 0.947 338 F HN 0.603 nan 8.300 nan 0.000 0.509 339 H N 1.231 120.404 119.070 0.172 0.000 2.905 339 H HA -0.173 4.383 4.556 -0.000 0.000 0.331 339 H C -0.492 174.893 175.328 0.095 0.000 1.078 339 H CA -0.495 55.558 56.048 0.009 0.000 1.084 339 H CB -1.446 28.328 29.762 0.021 0.000 1.617 339 H HN 0.371 nan 8.280 nan 0.000 0.383 340 R N 3.115 123.740 120.500 0.207 0.000 2.309 340 R HA 0.467 4.807 4.340 -0.000 0.000 0.331 340 R C -0.115 176.256 176.300 0.118 0.000 1.116 340 R CA 0.342 56.535 56.100 0.154 0.000 0.970 340 R CB 0.559 30.910 30.300 0.086 0.000 1.024 340 R HN 0.739 nan 8.270 nan 0.000 0.472 341 S N 1.359 117.109 115.700 0.083 0.000 2.740 341 S HA 0.115 4.585 4.470 -0.000 0.000 0.320 341 S C -1.127 173.382 174.600 -0.152 0.000 0.781 341 S CA -0.913 57.325 58.200 0.063 0.000 0.746 341 S CB -0.064 63.212 63.200 0.128 0.000 0.982 341 S HN 0.572 nan 8.310 nan 0.000 0.525 342 Y N 1.379 121.727 120.300 0.080 0.000 2.713 342 Y HA 0.351 4.901 4.550 -0.000 0.000 0.265 342 Y C 1.486 177.442 175.900 0.093 0.000 1.177 342 Y CA -0.060 58.092 58.100 0.088 0.000 1.144 342 Y CB 0.233 38.702 38.460 0.015 0.000 1.360 342 Y HN 0.722 nan 8.280 nan 0.000 0.491 343 D N 0.916 121.440 120.400 0.207 0.000 2.325 343 D HA 0.036 4.676 4.640 -0.000 0.000 0.234 343 D C -0.441 175.922 176.300 0.106 0.000 1.122 343 D CA 0.174 54.256 54.000 0.137 0.000 0.850 343 D CB -0.589 40.267 40.800 0.093 0.000 0.921 343 D HN 0.124 nan 8.370 nan 0.000 0.513 344 N N 0.192 118.958 118.700 0.110 0.000 2.580 344 N HA -0.229 4.511 4.740 -0.000 0.000 0.301 344 N C -1.437 174.108 175.510 0.059 0.000 1.276 344 N CA 0.420 53.518 53.050 0.080 0.000 0.711 344 N CB -0.600 37.930 38.487 0.072 0.000 0.978 344 N HN -0.091 nan 8.380 nan 0.000 0.538 345 S N 4.193 119.926 115.700 0.055 0.000 2.429 345 S HA 0.405 4.875 4.470 -0.000 0.000 0.302 345 S C 0.478 175.108 174.600 0.050 0.000 1.115 345 S CA -0.871 57.356 58.200 0.045 0.000 1.095 345 S CB 0.771 63.995 63.200 0.039 0.000 0.987 345 S HN 0.363 nan 8.310 nan 0.000 0.474 346 I N 4.547 125.153 120.570 0.060 0.000 2.483 346 I HA 0.099 4.269 4.170 -0.000 0.000 0.291 346 I C 0.164 176.341 176.117 0.101 0.000 1.112 346 I CA 0.254 61.617 61.300 0.104 0.000 1.350 346 I CB -0.888 37.195 38.000 0.139 0.000 1.419 346 I HN 0.259 nan 8.210 nan 0.000 0.523 347 V N 7.898 127.865 119.914 0.088 0.000 2.713 347 V HA 0.440 4.560 4.120 -0.000 0.000 0.307 347 V C 0.366 176.517 176.094 0.095 0.000 1.052 347 V CA -0.936 61.405 62.300 0.068 0.000 0.967 347 V CB 2.296 34.135 31.823 0.028 0.000 1.019 347 V HN 0.608 nan 8.190 nan 0.000 0.459 348 K N 3.292 123.743 120.400 0.085 0.000 2.328 348 K HA 0.563 4.883 4.320 -0.000 0.000 0.246 348 K C -2.613 174.020 176.600 0.055 0.000 0.955 348 K CA -1.640 54.701 56.287 0.089 0.000 0.817 348 K CB 2.090 34.660 32.500 0.117 0.000 1.208 348 K HN 0.490 nan 8.250 nan 0.000 0.432 349 P HA 0.158 nan 4.420 nan 0.000 0.274 349 P C -0.928 176.315 177.300 -0.095 0.000 1.237 349 P CA -0.221 62.855 63.100 -0.039 0.000 0.793 349 P CB 0.789 32.411 31.700 -0.129 0.000 0.977 350 N N -0.541 118.021 118.700 -0.230 0.000 3.308 350 N HA 0.277 5.017 4.740 -0.000 0.000 0.276 350 N C -1.618 173.393 175.510 -0.832 0.000 1.533 350 N CA -0.404 52.368 53.050 -0.464 0.000 0.878 350 N CB 0.809 39.001 38.487 -0.491 0.000 1.566 350 N HN 0.277 nan 8.380 nan 0.000 0.546 351 Y N 0.476 120.373 120.300 -0.673 0.000 2.341 351 Y HA 0.558 5.108 4.550 -0.000 0.000 0.337 351 Y C -0.221 175.244 175.900 -0.726 0.000 1.014 351 Y CA -0.471 57.358 58.100 -0.451 0.000 1.111 351 Y CB 1.013 39.401 38.460 -0.120 0.000 1.194 351 Y HN 0.278 nan 8.280 nan 0.000 0.462 352 F N 0.531 120.578 119.950 0.162 0.000 2.654 352 F HA 0.489 5.016 4.527 -0.000 0.000 0.334 352 F C -0.926 175.012 175.800 0.230 0.000 1.078 352 F CA -1.424 56.618 58.000 0.071 0.000 0.986 352 F CB 1.093 40.100 39.000 0.011 0.000 1.362 352 F HN 0.212 nan 8.300 nan 0.000 0.498 353 Y N 1.633 122.080 120.300 0.246 0.000 2.313 353 Y HA 0.339 4.889 4.550 -0.000 0.000 0.332 353 Y C -0.165 175.777 175.900 0.070 0.000 1.071 353 Y CA -1.571 56.600 58.100 0.119 0.000 1.169 353 Y CB 0.785 39.289 38.460 0.074 0.000 1.192 353 Y HN 0.403 nan 8.280 nan 0.000 0.487 354 Q N 1.124 121.024 119.800 0.168 0.000 2.377 354 Q HA 0.439 4.779 4.340 -0.000 0.000 0.271 354 Q C -1.295 174.675 176.000 -0.051 0.000 1.077 354 Q CA -1.195 54.636 55.803 0.046 0.000 0.820 354 Q CB 2.074 30.832 28.738 0.032 0.000 1.347 354 Q HN 0.403 nan 8.270 nan 0.000 0.444 355 D N 2.557 122.907 120.400 -0.084 0.000 2.487 355 D HA 0.025 4.665 4.640 -0.000 0.000 0.243 355 D C -0.396 175.750 176.300 -0.257 0.000 1.154 355 D CA 0.467 54.376 54.000 -0.152 0.000 0.876 355 D CB 0.704 41.427 40.800 -0.128 0.000 1.161 355 D HN 0.314 nan 8.370 nan 0.000 0.478 356 K N 3.838 124.020 120.400 -0.362 0.000 2.412 356 K HA 0.046 4.366 4.320 -0.000 0.000 0.281 356 K C -1.443 174.747 176.600 -0.684 0.000 1.027 356 K CA -1.067 54.847 56.287 -0.623 0.000 0.989 356 K CB 0.551 32.537 32.500 -0.856 0.000 0.935 356 K HN 0.157 nan 8.250 nan 0.000 0.475 357 P HA -0.178 nan 4.420 nan 0.000 0.215 357 P C -0.099 176.795 177.300 -0.676 0.000 1.153 357 P CA 1.346 63.899 63.100 -0.913 0.000 0.853 357 P CB 0.004 30.607 31.700 -1.830 0.000 0.788 358 Y N -1.184 118.762 120.300 -0.590 0.000 2.370 358 Y HA 0.342 4.892 4.550 -0.000 0.000 0.377 358 Y C 0.971 176.810 175.900 -0.101 0.000 1.371 358 Y CA -1.495 56.510 58.100 -0.160 0.000 1.756 358 Y CB -0.781 37.720 38.460 0.068 0.000 1.693 358 Y HN -0.106 nan 8.280 nan 0.000 0.595 359 E N 0.000 120.313 120.200 0.189 0.000 2.725 359 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 359 E CA 0.000 56.444 56.400 0.073 0.000 0.976 359 E CB 0.000 29.688 29.700 -0.021 0.000 0.812 359 E HN 0.000 nan 8.360 nan 0.000 0.440