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 2b9v_1_L DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPXXXXXXX XXQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSYEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK 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 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.328 175.328 0.001 0.000 0.993 50 H CA 0.000 56.048 56.048 0.001 0.000 1.023 50 H CB 0.000 29.762 29.762 0.001 0.000 1.292 51 D N 4.768 125.174 120.400 0.011 0.000 2.382 51 D HA 0.115 4.755 4.640 -0.000 0.000 0.259 51 D C -1.204 175.076 176.300 -0.032 0.000 1.224 51 D CA -1.892 52.089 54.000 -0.033 0.000 0.894 51 D CB 1.261 42.060 40.800 -0.002 0.000 1.127 51 D HN 0.291 nan 8.370 nan 0.000 0.487 52 P HA -0.050 nan 4.420 nan 0.000 0.233 52 P C 1.111 178.403 177.300 -0.013 0.000 1.167 52 P CA 0.544 63.617 63.100 -0.046 0.000 0.770 52 P CB 0.281 31.937 31.700 -0.073 0.000 0.837 53 L N -1.357 119.859 121.223 -0.012 0.000 2.611 53 L HA 0.163 4.503 4.340 -0.000 0.000 0.229 53 L C 1.550 178.423 176.870 0.005 0.000 1.137 53 L CA 0.424 55.261 54.840 -0.004 0.000 0.901 53 L CB -0.199 41.856 42.059 -0.007 0.000 1.098 53 L HN -0.057 nan 8.230 nan 0.000 0.456 54 S N -1.996 113.711 115.700 0.012 0.000 3.084 54 S HA 0.183 4.653 4.470 -0.000 0.000 0.262 54 S C 0.331 174.950 174.600 0.030 0.000 1.081 54 S CA -0.198 58.014 58.200 0.018 0.000 0.855 54 S CB 1.206 64.417 63.200 0.018 0.000 0.857 54 S HN -0.055 nan 8.310 nan 0.000 0.449 55 V N 3.133 123.076 119.914 0.049 0.000 2.384 55 V HA 0.605 4.725 4.120 -0.000 0.000 0.287 55 V C -0.703 175.444 176.094 0.088 0.000 1.020 55 V CA -0.452 61.891 62.300 0.072 0.000 0.850 55 V CB 1.383 33.274 31.823 0.114 0.000 0.987 55 V HN 0.263 nan 8.190 nan 0.000 0.436 56 Q N 3.154 122.991 119.800 0.062 0.000 2.381 56 Q HA 0.395 4.735 4.340 -0.000 0.000 0.263 56 Q C 0.585 176.616 176.000 0.050 0.000 1.030 56 Q CA -0.071 55.767 55.803 0.059 0.000 0.772 56 Q CB 1.642 30.401 28.738 0.034 0.000 1.232 56 Q HN 0.878 nan 8.270 nan 0.000 0.476 57 T N -0.198 114.396 114.554 0.066 0.000 3.040 57 T HA 0.371 4.720 4.350 -0.000 0.000 0.250 57 T C 0.849 175.565 174.700 0.028 0.000 1.058 57 T CA 0.292 62.409 62.100 0.029 0.000 0.988 57 T CB 0.499 69.366 68.868 -0.002 0.000 0.993 57 T HN 0.455 nan 8.240 nan 0.000 0.519 58 G N 1.045 109.869 108.800 0.040 0.000 2.882 58 G HA2 0.528 4.488 3.960 -0.000 0.000 0.164 58 G HA3 0.528 4.488 3.960 -0.000 0.000 0.164 58 G C -0.788 174.125 174.900 0.021 0.000 1.429 58 G CA -0.524 44.594 45.100 0.030 0.000 1.059 58 G HN 0.360 nan 8.290 nan 0.000 0.581 59 S N -1.073 114.638 115.700 0.018 0.000 2.482 59 S HA 0.387 4.857 4.470 -0.000 0.000 0.303 59 S C -0.011 174.596 174.600 0.013 0.000 1.091 59 S CA -0.585 57.623 58.200 0.014 0.000 1.057 59 S CB 1.653 64.859 63.200 0.011 0.000 1.031 59 S HN 0.335 nan 8.310 nan 0.000 0.485 60 D N 2.720 123.126 120.400 0.011 0.000 2.347 60 D HA 0.144 4.784 4.640 -0.000 0.000 0.215 60 D C 0.200 176.505 176.300 0.008 0.000 0.976 60 D CA 0.661 54.666 54.000 0.010 0.000 0.884 60 D CB 0.038 40.843 40.800 0.009 0.000 0.915 60 D HN 0.551 nan 8.370 nan 0.000 0.526 61 I N 3.119 123.694 120.570 0.008 0.000 2.308 61 I HA 0.118 4.288 4.170 -0.000 0.000 0.293 61 I C -1.506 174.616 176.117 0.008 0.000 1.078 61 I CA -1.614 59.690 61.300 0.008 0.000 1.292 61 I CB 0.672 38.677 38.000 0.007 0.000 1.423 61 I HN -0.183 nan 8.210 nan 0.000 0.493 73 R N 2.132 122.561 120.500 -0.118 0.000 2.738 73 R HA 0.030 4.370 4.340 -0.000 0.000 0.268 73 R C 0.206 176.436 176.300 -0.117 0.000 1.062 73 R CA 0.831 56.819 56.100 -0.187 0.000 1.158 73 R CB 0.245 30.228 30.300 -0.529 0.000 1.046 73 R HN 0.148 nan 8.270 nan 0.000 0.493 74 D N 0.492 120.893 120.400 0.003 0.000 2.388 74 D HA 0.028 4.668 4.640 -0.000 0.000 0.221 74 D C -0.518 175.881 176.300 0.165 0.000 1.133 74 D CA -0.111 53.936 54.000 0.079 0.000 0.831 74 D CB -0.129 40.738 40.800 0.112 0.000 0.962 74 D HN 0.490 nan 8.370 nan 0.000 0.502 75 Y N -1.163 119.150 120.300 0.023 0.000 2.670 75 Y HA 0.578 5.128 4.550 -0.000 0.000 0.334 75 Y C -1.252 174.664 175.900 0.026 0.000 1.185 75 Y CA -1.871 56.245 58.100 0.027 0.000 1.053 75 Y CB 1.007 39.488 38.460 0.035 0.000 1.298 75 Y HN -0.063 nan 8.280 nan 0.000 0.459 76 I N 0.187 120.871 120.570 0.189 0.000 2.646 76 I HA 0.693 4.863 4.170 -0.000 0.000 0.299 76 I C -1.379 174.887 176.117 0.249 0.000 1.036 76 I CA -1.110 60.248 61.300 0.096 0.000 1.074 76 I CB 2.338 40.365 38.000 0.045 0.000 1.258 76 I HN 0.773 nan 8.210 nan 0.000 0.430 77 K N 5.249 125.768 120.400 0.199 0.000 2.323 77 K HA 0.574 4.894 4.320 -0.000 0.000 0.259 77 K C -1.097 175.569 176.600 0.110 0.000 0.947 77 K CA -0.702 55.701 56.287 0.194 0.000 0.819 77 K CB 1.820 34.468 32.500 0.246 0.000 1.109 77 K HN 0.742 nan 8.250 nan 0.000 0.429 78 R N 2.616 123.167 120.500 0.085 0.000 2.514 78 R HA 0.280 4.620 4.340 -0.000 0.000 0.301 78 R C -0.893 175.406 176.300 -0.001 0.000 0.962 78 R CA -0.734 55.400 56.100 0.056 0.000 0.882 78 R CB 1.905 32.249 30.300 0.073 0.000 1.143 78 R HN 0.586 nan 8.270 nan 0.000 0.452 79 E N 2.116 122.303 120.200 -0.022 0.000 2.191 79 E HA 0.403 4.753 4.350 -0.000 0.000 0.263 79 E C -1.007 175.520 176.600 -0.122 0.000 0.881 79 E CA -0.708 55.605 56.400 -0.146 0.000 0.757 79 E CB 2.299 31.989 29.700 -0.016 0.000 1.147 79 E HN 0.145 nan 8.360 nan 0.000 0.414 80 V N 2.385 122.157 119.914 -0.238 0.000 3.040 80 V HA 0.435 4.555 4.120 -0.000 0.000 0.312 80 V C -0.480 175.454 176.094 -0.267 0.000 1.115 80 V CA -1.089 61.096 62.300 -0.190 0.000 0.998 80 V CB 2.180 33.867 31.823 -0.226 0.000 1.042 80 V HN 0.687 nan 8.190 nan 0.000 0.433 81 M N 2.603 122.084 119.600 -0.198 0.000 2.060 81 M HA 0.407 4.887 4.480 -0.000 0.000 0.342 81 M C -0.786 175.334 176.300 -0.301 0.000 1.031 81 M CA -0.377 54.825 55.300 -0.164 0.000 0.981 81 M CB 0.979 33.556 32.600 -0.037 0.000 1.376 81 M HN 0.392 nan 8.290 nan 0.000 0.397 82 V N 6.985 126.627 119.914 -0.454 0.000 2.455 82 V HA 0.264 4.384 4.120 -0.000 0.000 0.273 82 V C -1.822 174.098 176.094 -0.291 0.000 1.045 82 V CA -1.176 60.727 62.300 -0.662 0.000 0.976 82 V CB 0.742 32.084 31.823 -0.802 0.000 0.993 82 V HN 0.543 nan 8.190 nan 0.000 0.475 83 P HA 0.274 nan 4.420 nan 0.000 0.279 83 P C -0.569 176.739 177.300 0.013 0.000 1.239 83 P CA -0.384 62.693 63.100 -0.039 0.000 0.789 83 P CB 0.884 32.596 31.700 0.019 0.000 0.933 84 M N 2.658 122.279 119.600 0.035 0.000 2.369 84 M HA 0.272 4.752 4.480 -0.000 0.000 0.291 84 M C 2.086 178.429 176.300 0.073 0.000 1.178 84 M CA -0.733 54.609 55.300 0.069 0.000 0.996 84 M CB 0.408 33.047 32.600 0.066 0.000 1.472 84 M HN 0.405 nan 8.290 nan 0.000 0.496 85 R N 0.662 121.210 120.500 0.080 0.000 2.159 85 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 85 R C 0.310 176.634 176.300 0.039 0.000 1.131 85 R CA 1.956 58.091 56.100 0.058 0.000 0.982 85 R CB -0.593 29.728 30.300 0.035 0.000 0.868 85 R HN 0.672 nan 8.270 nan 0.000 0.453 86 D N -0.969 119.454 120.400 0.039 0.000 2.368 86 D HA 0.135 4.775 4.640 -0.000 0.000 0.218 86 D C 1.099 177.419 176.300 0.034 0.000 1.112 86 D CA 0.364 54.383 54.000 0.032 0.000 0.834 86 D CB 0.576 41.395 40.800 0.032 0.000 0.953 86 D HN 0.406 nan 8.370 nan 0.000 0.505 87 G N -0.232 108.590 108.800 0.037 0.000 2.241 87 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 87 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 87 G C 0.276 175.196 174.900 0.032 0.000 0.998 87 G CA 0.130 45.251 45.100 0.034 0.000 0.621 87 G HN 0.385 nan 8.290 nan 0.000 0.519 88 V N 2.041 121.977 119.914 0.036 0.000 2.585 88 V HA 0.321 4.441 4.120 -0.000 0.000 0.296 88 V C 0.733 176.844 176.094 0.028 0.000 1.035 88 V CA 0.598 62.920 62.300 0.037 0.000 1.084 88 V CB 1.193 33.045 31.823 0.048 0.000 0.953 88 V HN 0.372 nan 8.190 nan 0.000 0.483 89 K N 5.887 126.300 120.400 0.022 0.000 2.206 89 K HA 0.629 4.949 4.320 -0.000 0.000 0.264 89 K C -1.041 175.567 176.600 0.014 0.000 0.967 89 K CA -0.502 55.784 56.287 -0.002 0.000 0.844 89 K CB 1.593 34.090 32.500 -0.006 0.000 1.099 89 K HN 0.489 nan 8.250 nan 0.000 0.441 90 L N 3.265 124.479 121.223 -0.014 0.000 2.307 90 L HA 0.334 4.674 4.340 -0.000 0.000 0.284 90 L C -0.331 176.553 176.870 0.023 0.000 1.023 90 L CA -1.181 53.676 54.840 0.028 0.000 0.810 90 L CB 0.539 42.613 42.059 0.026 0.000 1.231 90 L HN 0.565 nan 8.230 nan 0.000 0.423 91 Y N 2.797 123.084 120.300 -0.022 0.000 2.569 91 Y HA 0.123 4.673 4.550 -0.000 0.000 0.332 91 Y C -0.136 175.752 175.900 -0.019 0.000 1.120 91 Y CA 0.236 58.323 58.100 -0.021 0.000 1.416 91 Y CB 0.491 38.959 38.460 0.015 0.000 1.210 91 Y HN 0.509 nan 8.280 nan 0.000 0.528 92 T N 6.267 120.496 114.554 -0.541 0.000 2.848 92 T HA 0.539 4.889 4.350 -0.000 0.000 0.285 92 T C -1.123 173.283 174.700 -0.490 0.000 0.995 92 T CA -0.732 61.136 62.100 -0.387 0.000 0.970 92 T CB 1.341 70.034 68.868 -0.292 0.000 0.976 92 T HN 0.370 nan 8.240 nan 0.000 0.441 93 V N 4.012 123.774 119.914 -0.253 0.000 2.448 93 V HA 0.589 4.709 4.120 -0.000 0.000 0.295 93 V C -0.667 175.431 176.094 0.007 0.000 1.025 93 V CA -0.815 61.408 62.300 -0.128 0.000 0.859 93 V CB 1.293 33.117 31.823 0.002 0.000 0.988 93 V HN 0.773 nan 8.190 nan 0.000 0.431 94 I N 4.947 125.532 120.570 0.025 0.000 2.447 94 I HA 0.481 4.651 4.170 -0.000 0.000 0.287 94 I C -0.461 175.708 176.117 0.087 0.000 1.023 94 I CA -0.459 60.878 61.300 0.062 0.000 1.083 94 I CB 2.071 40.117 38.000 0.077 0.000 1.245 94 I HN 0.289 nan 8.210 nan 0.000 0.434 95 V N 7.290 127.258 119.914 0.089 0.000 2.357 95 V HA 0.504 4.624 4.120 -0.000 0.000 0.284 95 V C -0.012 176.138 176.094 0.094 0.000 1.018 95 V CA -0.422 61.937 62.300 0.098 0.000 0.841 95 V CB 1.271 33.112 31.823 0.029 0.000 0.991 95 V HN 0.487 nan 8.190 nan 0.000 0.437 96 I N 7.082 127.731 120.570 0.131 0.000 2.433 96 I HA 0.441 4.611 4.170 -0.000 0.000 0.292 96 I C -2.477 173.722 176.117 0.137 0.000 1.001 96 I CA -2.276 59.088 61.300 0.106 0.000 1.119 96 I CB 2.757 40.805 38.000 0.080 0.000 1.289 96 I HN 0.399 nan 8.210 nan 0.000 0.438 97 P HA 0.118 nan 4.420 nan 0.000 0.271 97 P C -0.829 176.522 177.300 0.085 0.000 1.218 97 P CA -0.445 62.724 63.100 0.115 0.000 0.780 97 P CB 0.504 32.254 31.700 0.083 0.000 0.901 98 K N 2.292 122.742 120.400 0.083 0.000 2.436 98 K HA -0.003 4.317 4.320 -0.000 0.000 0.275 98 K C 0.437 177.055 176.600 0.030 0.000 0.999 98 K CA 0.482 56.796 56.287 0.045 0.000 0.980 98 K CB -0.529 31.988 32.500 0.028 0.000 0.919 98 K HN 0.435 nan 8.250 nan 0.000 0.484 99 N N -0.165 118.545 118.700 0.017 0.000 2.725 99 N HA -0.246 4.494 4.740 -0.000 0.000 0.249 99 N C -1.175 174.339 175.510 0.006 0.000 1.103 99 N CA 0.649 53.704 53.050 0.008 0.000 0.707 99 N CB -0.690 37.800 38.487 0.006 0.000 1.043 99 N HN 0.630 nan 8.380 nan 0.000 0.553 100 A N 0.612 123.438 122.820 0.010 0.000 2.363 100 A HA 0.628 4.948 4.320 -0.000 0.000 0.270 100 A C 0.554 178.129 177.584 -0.015 0.000 1.121 100 A CA 0.083 52.120 52.037 0.001 0.000 0.800 100 A CB 0.665 19.671 19.000 0.010 0.000 1.052 100 A HN 0.354 nan 8.150 nan 0.000 0.493 101 R N 1.790 122.273 120.500 -0.028 0.000 2.522 101 R HA 0.375 4.715 4.340 -0.000 0.000 0.283 101 R C -0.758 175.509 176.300 -0.055 0.000 1.074 101 R CA -0.400 55.677 56.100 -0.038 0.000 0.925 101 R CB 0.699 30.981 30.300 -0.031 0.000 1.205 101 R HN 0.942 nan 8.270 nan 0.000 0.436 102 N N 0.544 119.204 118.700 -0.066 0.000 2.754 102 N HA -0.232 4.508 4.740 -0.000 0.000 0.248 102 N C -1.207 174.239 175.510 -0.108 0.000 1.093 102 N CA 1.051 54.051 53.050 -0.083 0.000 0.699 102 N CB -0.721 37.721 38.487 -0.074 0.000 1.016 102 N HN 0.615 nan 8.380 nan 0.000 0.552 103 A N 0.085 122.839 122.820 -0.111 0.000 2.310 103 A HA 0.663 4.983 4.320 -0.000 0.000 0.299 103 A C -2.032 175.433 177.584 -0.198 0.000 1.147 103 A CA -1.301 50.641 52.037 -0.158 0.000 0.818 103 A CB 0.812 19.746 19.000 -0.109 0.000 1.096 103 A HN 0.064 nan 8.150 nan 0.000 0.495 104 P HA 0.331 nan 4.420 nan 0.000 0.274 104 P C -0.753 176.433 177.300 -0.189 0.000 1.231 104 P CA 0.057 62.969 63.100 -0.313 0.000 0.790 104 P CB 0.744 32.131 31.700 -0.522 0.000 0.951 105 I N 2.063 122.584 120.570 -0.082 0.000 2.359 105 I HA 0.259 4.429 4.170 -0.000 0.000 0.294 105 I C 0.162 176.294 176.117 0.024 0.000 0.987 105 I CA -0.916 60.373 61.300 -0.019 0.000 1.225 105 I CB 1.399 39.369 38.000 -0.049 0.000 1.366 105 I HN 0.157 nan 8.210 nan 0.000 0.466 106 L N 7.850 129.076 121.223 0.006 0.000 2.294 106 L HA 0.517 4.856 4.340 -0.000 0.000 0.283 106 L C -1.017 175.745 176.870 -0.179 0.000 1.015 106 L CA -0.366 54.411 54.840 -0.105 0.000 0.831 106 L CB 1.297 43.156 42.059 -0.333 0.000 1.217 106 L HN 0.462 nan 8.230 nan 0.000 0.420 107 L N 4.663 125.800 121.223 -0.144 0.000 2.334 107 L HA 0.810 5.150 4.340 -0.000 0.000 0.276 107 L C -0.618 176.144 176.870 -0.181 0.000 1.014 107 L CA 0.375 55.114 54.840 -0.168 0.000 0.815 107 L CB 2.159 44.164 42.059 -0.089 0.000 1.268 107 L HN 0.657 nan 8.230 nan 0.000 0.428 108 T N 4.444 118.849 114.554 -0.249 0.000 2.916 108 T HA 0.567 4.916 4.350 -0.000 0.000 0.298 108 T C -0.863 173.832 174.700 -0.008 0.000 1.031 108 T CA -0.657 61.355 62.100 -0.147 0.000 0.993 108 T CB 1.421 70.117 68.868 -0.287 0.000 1.045 108 T HN 0.541 nan 8.240 nan 0.000 0.454 109 R N 1.449 122.007 120.500 0.097 0.000 2.387 109 R HA 0.764 5.104 4.340 -0.000 0.000 0.314 109 R C -0.497 175.931 176.300 0.213 0.000 0.958 109 R CA -0.812 55.378 56.100 0.150 0.000 0.846 109 R CB 1.913 32.299 30.300 0.143 0.000 1.147 109 R HN 0.554 nan 8.270 nan 0.000 0.447 110 T N 1.941 116.611 114.554 0.194 0.000 2.916 110 T HA 0.415 4.765 4.350 -0.000 0.000 0.305 110 T C -2.327 172.350 174.700 -0.039 0.000 1.119 110 T CA -2.008 60.169 62.100 0.129 0.000 1.008 110 T CB 1.882 70.889 68.868 0.232 0.000 1.129 110 T HN 0.343 nan 8.240 nan 0.000 0.480 111 P HA 0.214 nan 4.420 nan 0.000 0.261 111 P C -0.239 176.872 177.300 -0.316 0.000 1.268 111 P CA 0.055 62.864 63.100 -0.485 0.000 0.833 111 P CB -0.028 31.059 31.700 -1.021 0.000 1.231 112 Y N 0.650 120.951 120.300 0.001 0.000 2.811 112 Y HA 0.314 4.864 4.550 -0.000 0.000 0.330 112 Y C 0.510 176.216 175.900 -0.324 0.000 1.081 112 Y CA -1.331 56.734 58.100 -0.057 0.000 1.408 112 Y CB -1.312 37.158 38.460 0.017 0.000 1.235 112 Y HN 0.069 nan 8.280 nan 0.000 0.529 113 N N 0.240 118.633 118.700 -0.511 0.000 2.483 113 N HA -0.197 4.543 4.740 -0.000 0.000 0.280 113 N C 0.848 176.181 175.510 -0.295 0.000 1.315 113 N CA 0.254 52.815 53.050 -0.814 0.000 0.637 113 N CB -0.302 37.465 38.487 -1.199 0.000 0.893 113 N HN 0.512 nan 8.380 nan 0.000 0.535 114 A N 3.222 125.995 122.820 -0.078 0.000 1.978 114 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 114 A C 1.979 179.566 177.584 0.004 0.000 1.170 114 A CA 1.866 53.933 52.037 0.049 0.000 0.636 114 A CB -0.193 18.955 19.000 0.246 0.000 0.810 114 A HN 0.741 nan 8.150 nan 0.000 0.448 115 K N -0.746 119.683 120.400 0.049 0.000 2.057 115 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 115 K C 1.990 178.547 176.600 -0.070 0.000 1.050 115 K CA 1.340 57.664 56.287 0.063 0.000 0.935 115 K CB -0.432 32.084 32.500 0.027 0.000 0.715 115 K HN 0.392 nan 8.250 nan 0.000 0.439 116 G N 0.679 109.389 108.800 -0.151 0.000 2.408 116 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.215 116 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.215 116 G C 1.423 176.192 174.900 -0.219 0.000 1.156 116 G CA -0.040 44.964 45.100 -0.161 0.000 0.793 116 G HN 0.132 nan 8.290 nan 0.000 0.535 117 R N 0.973 121.272 120.500 -0.334 0.000 2.096 117 R HA 0.013 4.353 4.340 -0.000 0.000 0.235 117 R C 2.334 178.214 176.300 -0.699 0.000 1.127 117 R CA 1.131 56.895 56.100 -0.561 0.000 0.968 117 R CB -0.774 29.011 30.300 -0.858 0.000 0.861 117 R HN 0.327 nan 8.270 nan 0.000 0.440 118 A N 0.829 123.306 122.820 -0.572 0.000 2.411 118 A HA 0.104 4.424 4.320 -0.000 0.000 0.251 118 A C 0.206 177.697 177.584 -0.156 0.000 1.317 118 A CA -0.070 51.774 52.037 -0.321 0.000 0.904 118 A CB -0.071 18.862 19.000 -0.111 0.000 0.993 118 A HN 0.078 nan 8.150 nan 0.000 0.504 119 N N 0.017 118.626 118.700 -0.152 0.000 2.646 119 N HA 0.110 4.850 4.740 -0.000 0.000 0.303 119 N C 1.011 176.479 175.510 -0.070 0.000 1.921 119 N CA -0.277 52.726 53.050 -0.078 0.000 0.872 119 N CB 0.239 38.699 38.487 -0.045 0.000 1.327 119 N HN 0.378 nan 8.380 nan 0.000 0.492 120 R N -0.249 120.205 120.500 -0.077 0.000 2.091 120 R HA 0.013 4.353 4.340 -0.000 0.000 0.238 120 R C -0.266 176.022 176.300 -0.021 0.000 1.136 120 R CA 1.255 57.327 56.100 -0.046 0.000 0.959 120 R CB 0.146 30.425 30.300 -0.036 0.000 0.856 120 R HN 0.001 nan 8.270 nan 0.000 0.437 121 V N 4.307 124.212 119.914 -0.015 0.000 2.326 121 V HA 0.260 4.380 4.120 -0.000 0.000 0.281 121 V C -2.303 173.798 176.094 0.013 0.000 1.015 121 V CA -1.917 60.385 62.300 0.004 0.000 0.823 121 V CB 1.594 33.425 31.823 0.014 0.000 1.009 121 V HN 0.184 nan 8.190 nan 0.000 0.436 122 P HA 0.026 nan 4.420 nan 0.000 0.260 122 P C 0.307 177.637 177.300 0.050 0.000 1.185 122 P CA 0.614 63.728 63.100 0.023 0.000 0.763 122 P CB -0.119 31.590 31.700 0.016 0.000 0.776 123 N N -0.374 118.373 118.700 0.079 0.000 2.714 123 N HA -0.210 4.530 4.740 -0.000 0.000 0.250 123 N C 0.222 175.819 175.510 0.146 0.000 1.117 123 N CA 0.335 53.457 53.050 0.121 0.000 0.719 123 N CB -1.346 37.186 38.487 0.075 0.000 1.081 123 N HN 0.620 nan 8.380 nan 0.000 0.557 124 A N 0.081 122.993 122.820 0.153 0.000 2.492 124 A HA 0.208 4.528 4.320 -0.000 0.000 0.236 124 A C 1.384 179.109 177.584 0.235 0.000 1.078 124 A CA 0.093 52.219 52.037 0.148 0.000 0.773 124 A CB 0.255 19.316 19.000 0.100 0.000 1.023 124 A HN 0.356 nan 8.150 nan 0.000 0.504 125 L N 0.541 121.855 121.223 0.152 0.000 2.478 125 L HA 0.052 4.392 4.340 -0.000 0.000 0.223 125 L C 1.230 178.224 176.870 0.207 0.000 1.140 125 L CA 1.105 56.023 54.840 0.129 0.000 0.842 125 L CB -0.878 41.217 42.059 0.060 0.000 0.953 125 L HN 0.904 nan 8.230 nan 0.000 0.452 126 T N -4.747 109.949 114.554 0.237 0.000 2.887 126 T HA 0.303 4.653 4.350 -0.000 0.000 0.288 126 T C 0.579 175.368 174.700 0.149 0.000 1.021 126 T CA -0.706 61.525 62.100 0.218 0.000 1.000 126 T CB 2.425 71.356 68.868 0.105 0.000 1.034 126 T HN -0.024 nan 8.240 nan 0.000 0.467 127 M N 0.777 120.432 119.600 0.092 0.000 2.159 127 M HA 0.018 4.498 4.480 -0.000 0.000 0.263 127 M C 2.367 178.599 176.300 -0.113 0.000 1.063 127 M CA 1.461 56.645 55.300 -0.194 0.000 1.110 127 M CB -0.206 32.351 32.600 -0.071 0.000 1.374 127 M HN 0.749 nan 8.290 nan 0.000 0.411 128 R N 0.669 121.155 120.500 -0.025 0.000 2.105 128 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 128 R C 1.566 177.853 176.300 -0.022 0.000 1.135 128 R CA 2.108 58.199 56.100 -0.015 0.000 0.967 128 R CB -0.349 29.953 30.300 0.004 0.000 0.861 128 R HN 0.536 nan 8.270 nan 0.000 0.442 129 E N -1.073 119.119 120.200 -0.014 0.000 2.170 129 E HA -0.070 4.280 4.350 -0.000 0.000 0.191 129 E C 1.775 178.354 176.600 -0.034 0.000 0.981 129 E CA 0.930 57.324 56.400 -0.009 0.000 0.830 129 E CB 0.070 29.782 29.700 0.020 0.000 0.775 129 E HN 0.127 nan 8.360 nan 0.000 0.470 130 V N 1.135 120.996 119.914 -0.089 0.000 2.719 130 V HA -0.017 4.103 4.120 -0.000 0.000 0.252 130 V C 0.806 176.829 176.094 -0.119 0.000 1.065 130 V CA 0.744 62.967 62.300 -0.129 0.000 1.086 130 V CB 0.055 31.702 31.823 -0.293 0.000 0.700 130 V HN 0.063 nan 8.190 nan 0.000 0.467 131 L N 0.752 121.917 121.223 -0.096 0.000 2.375 131 L HA 0.427 4.767 4.340 -0.000 0.000 0.268 131 L C -2.168 174.692 176.870 -0.016 0.000 1.058 131 L CA -2.020 52.800 54.840 -0.034 0.000 0.803 131 L CB 0.825 42.889 42.059 0.008 0.000 1.212 131 L HN 0.008 nan 8.230 nan 0.000 0.451 132 P HA -0.034 nan 4.420 nan 0.000 0.269 132 P C 0.045 177.328 177.300 -0.027 0.000 1.217 132 P CA -0.160 62.936 63.100 -0.007 0.000 0.783 132 P CB 0.504 32.210 31.700 0.010 0.000 0.898 133 Q N 1.543 121.309 119.800 -0.057 0.000 2.112 133 Q HA -0.176 4.164 4.340 -0.000 0.000 0.206 133 Q C 2.027 177.971 176.000 -0.094 0.000 0.987 133 Q CA 2.320 58.083 55.803 -0.066 0.000 0.858 133 Q CB -1.063 27.645 28.738 -0.050 0.000 0.905 133 Q HN 0.696 nan 8.270 nan 0.000 0.420 134 G N -0.084 108.614 108.800 -0.169 0.000 2.498 134 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 134 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 134 G C 0.570 175.459 174.900 -0.018 0.000 1.119 134 G CA 0.956 45.984 45.100 -0.120 0.000 0.766 134 G HN 0.391 nan 8.290 nan 0.000 0.552 135 D N 0.663 121.066 120.400 0.006 0.000 2.349 135 D HA 0.037 4.677 4.640 -0.000 0.000 0.214 135 D C 1.963 178.275 176.300 0.021 0.000 1.063 135 D CA 0.486 54.525 54.000 0.065 0.000 0.847 135 D CB 0.071 40.909 40.800 0.064 0.000 0.933 135 D HN 0.394 nan 8.370 nan 0.000 0.513 136 D N 1.104 121.487 120.400 -0.028 0.000 2.154 136 D HA -0.221 4.419 4.640 -0.000 0.000 0.190 136 D C 2.022 178.259 176.300 -0.106 0.000 1.003 136 D CA 1.938 55.913 54.000 -0.042 0.000 0.849 136 D CB -0.982 39.810 40.800 -0.013 0.000 0.942 136 D HN 0.276 nan 8.370 nan 0.000 0.446 137 V N -2.858 116.907 119.914 -0.250 0.000 2.913 137 V HA -0.059 4.061 4.120 -0.000 0.000 0.260 137 V C 2.188 177.928 176.094 -0.591 0.000 1.098 137 V CA 1.096 63.127 62.300 -0.448 0.000 1.121 137 V CB -1.187 30.223 31.823 -0.689 0.000 0.714 137 V HN 0.004 nan 8.190 nan 0.000 0.487 138 F N -0.122 119.623 119.950 -0.342 0.000 2.619 138 F HA 0.257 4.783 4.527 -0.000 0.000 0.293 138 F C 2.242 177.965 175.800 -0.128 0.000 1.119 138 F CA 0.744 58.489 58.000 -0.426 0.000 1.445 138 F CB -0.291 38.322 39.000 -0.646 0.000 1.119 138 F HN -0.030 nan 8.300 nan 0.000 0.573 139 V N -0.097 119.852 119.914 0.057 0.000 2.453 139 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 139 V C 1.958 178.083 176.094 0.051 0.000 1.048 139 V CA 1.685 64.022 62.300 0.063 0.000 1.049 139 V CB -0.477 31.361 31.823 0.026 0.000 0.672 139 V HN 0.284 nan 8.190 nan 0.000 0.457 140 E N 0.445 120.646 120.200 0.002 0.000 2.204 140 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 140 E C 2.143 178.758 176.600 0.024 0.000 0.989 140 E CA 1.014 57.413 56.400 -0.002 0.000 0.824 140 E CB -0.253 29.422 29.700 -0.042 0.000 0.756 140 E HN 0.629 nan 8.360 nan 0.000 0.477 141 G N -0.276 108.561 108.800 0.062 0.000 3.042 141 G HA2 0.170 4.130 3.960 -0.000 0.000 0.212 141 G HA3 0.170 4.130 3.960 -0.000 0.000 0.212 141 G C 1.008 176.049 174.900 0.235 0.000 1.166 141 G CA 0.176 45.373 45.100 0.162 0.000 0.767 141 G HN 0.359 nan 8.290 nan 0.000 0.546 142 G N -1.199 107.724 108.800 0.206 0.000 2.137 142 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.237 142 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.237 142 G C 0.073 175.064 174.900 0.152 0.000 1.002 142 G CA -0.071 45.112 45.100 0.139 0.000 0.702 142 G HN 0.343 nan 8.290 nan 0.000 0.515 143 Y N -0.250 120.082 120.300 0.055 0.000 2.336 143 Y HA 0.566 5.116 4.550 -0.000 0.000 0.331 143 Y C 1.503 177.410 175.900 0.011 0.000 1.211 143 Y CA -0.705 57.419 58.100 0.040 0.000 1.346 143 Y CB 0.583 39.084 38.460 0.068 0.000 1.271 143 Y HN 0.167 nan 8.280 nan 0.000 0.538 144 I N 3.524 124.162 120.570 0.113 0.000 2.395 144 I HA 0.246 4.416 4.170 -0.000 0.000 0.289 144 I C -0.048 176.101 176.117 0.052 0.000 1.023 144 I CA -0.517 60.820 61.300 0.062 0.000 1.350 144 I CB 0.931 38.941 38.000 0.017 0.000 1.409 144 I HN 0.399 nan 8.210 nan 0.000 0.507 145 R N 5.442 125.960 120.500 0.031 0.000 2.387 145 R HA 0.638 4.978 4.340 -0.000 0.000 0.314 145 R C -1.654 174.627 176.300 -0.031 0.000 0.958 145 R CA -0.453 55.629 56.100 -0.030 0.000 0.846 145 R CB 1.359 31.663 30.300 0.008 0.000 1.147 145 R HN 0.399 nan 8.270 nan 0.000 0.447 146 V N 5.506 125.337 119.914 -0.139 0.000 2.540 146 V HA 0.556 4.676 4.120 -0.000 0.000 0.302 146 V C -0.941 175.004 176.094 -0.248 0.000 1.035 146 V CA -0.623 61.622 62.300 -0.092 0.000 0.873 146 V CB 1.546 33.334 31.823 -0.060 0.000 0.992 146 V HN 0.613 nan 8.190 nan 0.000 0.428 147 F N 2.775 122.720 119.950 -0.008 0.000 2.520 147 F HA 0.646 5.173 4.527 -0.000 0.000 0.322 147 F C 0.083 175.884 175.800 0.002 0.000 1.103 147 F CA -0.310 57.697 58.000 0.011 0.000 0.926 147 F CB 2.042 41.054 39.000 0.021 0.000 1.154 147 F HN 0.419 nan 8.300 nan 0.000 0.453 148 Q N 2.458 122.372 119.800 0.190 0.000 2.347 148 Q HA 0.298 4.638 4.340 -0.000 0.000 0.271 148 Q C -1.797 174.306 176.000 0.171 0.000 1.064 148 Q CA -0.950 54.929 55.803 0.127 0.000 0.800 148 Q CB 1.996 30.769 28.738 0.057 0.000 1.304 148 Q HN 0.488 nan 8.270 nan 0.000 0.438 149 D N 4.110 124.624 120.400 0.191 0.000 2.317 149 D HA 0.222 4.862 4.640 -0.000 0.000 0.252 149 D C 0.402 176.792 176.300 0.151 0.000 1.174 149 D CA -0.068 54.041 54.000 0.183 0.000 0.866 149 D CB 0.582 41.520 40.800 0.229 0.000 1.127 149 D HN 0.545 nan 8.370 nan 0.000 0.467 150 I N -0.822 119.832 120.570 0.140 0.000 3.060 150 I HA 0.186 4.356 4.170 -0.000 0.000 0.285 150 I C 0.853 177.071 176.117 0.169 0.000 1.190 150 I CA -0.842 60.560 61.300 0.170 0.000 1.363 150 I CB 0.639 38.779 38.000 0.233 0.000 1.396 150 I HN 0.164 nan 8.210 nan 0.000 0.607 151 R N 2.740 123.353 120.500 0.190 0.000 2.494 151 R HA 0.074 4.414 4.340 -0.000 0.000 0.291 151 R C 1.039 177.472 176.300 0.222 0.000 0.953 151 R CA 1.348 57.555 56.100 0.178 0.000 1.098 151 R CB -0.330 30.076 30.300 0.175 0.000 0.911 151 R HN 1.154 nan 8.270 nan 0.000 0.407 152 G N 2.933 111.825 108.800 0.152 0.000 2.176 152 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.253 152 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.253 152 G C -0.385 174.512 174.900 -0.005 0.000 0.979 152 G CA 0.286 45.467 45.100 0.135 0.000 0.641 152 G HN 0.525 nan 8.290 nan 0.000 0.530 153 K N -0.699 119.677 120.400 -0.039 0.000 2.259 153 K HA 0.665 4.985 4.320 -0.000 0.000 0.252 153 K C 0.905 177.511 176.600 0.010 0.000 0.936 153 K CA -0.798 55.400 56.287 -0.148 0.000 0.810 153 K CB 1.487 33.873 32.500 -0.190 0.000 1.143 153 K HN 0.175 nan 8.250 nan 0.000 0.427 154 Y N 0.308 120.535 120.300 -0.121 0.000 2.752 154 Y HA -0.456 4.094 4.550 -0.000 0.000 0.475 154 Y C 1.777 177.598 175.900 -0.131 0.000 1.092 154 Y CA 2.234 60.262 58.100 -0.120 0.000 2.893 154 Y CB -1.453 36.937 38.460 -0.116 0.000 1.111 154 Y HN 0.797 nan 8.280 nan 0.000 0.608 155 G N -0.307 108.499 108.800 0.010 0.000 2.880 155 G HA2 0.248 4.208 3.960 -0.000 0.000 0.209 155 G HA3 0.248 4.208 3.960 -0.000 0.000 0.209 155 G C 0.214 175.141 174.900 0.045 0.000 1.157 155 G CA 0.704 45.731 45.100 -0.122 0.000 0.779 155 G HN 0.301 nan 8.290 nan 0.000 0.539 156 S N 0.143 115.899 115.700 0.093 0.000 2.632 156 S HA 0.401 4.871 4.470 -0.000 0.000 0.271 156 S C 0.232 174.867 174.600 0.059 0.000 1.260 156 S CA -0.484 57.776 58.200 0.101 0.000 1.010 156 S CB 1.494 64.764 63.200 0.115 0.000 0.965 156 S HN 0.419 nan 8.310 nan 0.000 0.534 157 Q N 0.049 119.884 119.800 0.058 0.000 2.171 157 Q HA 0.661 5.001 4.340 -0.000 0.000 0.217 157 Q C 0.514 176.549 176.000 0.059 0.000 0.995 157 Q CA -0.359 55.471 55.803 0.046 0.000 0.979 157 Q CB 0.717 29.479 28.738 0.040 0.000 1.152 157 Q HN 0.969 nan 8.270 nan 0.000 0.525 158 G N 0.544 109.377 108.800 0.054 0.000 2.661 158 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.685 158 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.685 158 G C -1.587 173.362 174.900 0.083 0.000 1.298 158 G CA -0.869 44.273 45.100 0.069 0.000 0.855 158 G HN 0.541 nan 8.290 nan 0.000 0.560 159 D N -0.081 120.373 120.400 0.090 0.000 2.249 159 D HA 0.438 5.078 4.640 -0.000 0.000 0.246 159 D C -0.146 176.246 176.300 0.154 0.000 1.114 159 D CA 0.094 54.153 54.000 0.100 0.000 0.854 159 D CB 1.272 42.112 40.800 0.067 0.000 1.132 159 D HN 0.480 nan 8.370 nan 0.000 0.461 160 Y N 2.082 122.406 120.300 0.039 0.000 2.316 160 Y HA 0.346 4.896 4.550 -0.000 0.000 0.331 160 Y C -0.736 175.209 175.900 0.075 0.000 1.083 160 Y CA -0.312 57.820 58.100 0.053 0.000 1.206 160 Y CB 0.724 39.197 38.460 0.021 0.000 1.195 160 Y HN 0.057 nan 8.280 nan 0.000 0.497 161 V N 8.356 127.914 119.914 -0.593 0.000 2.443 161 V HA 0.147 4.267 4.120 -0.000 0.000 0.293 161 V C -0.201 175.487 176.094 -0.676 0.000 1.021 161 V CA -1.040 60.990 62.300 -0.450 0.000 0.848 161 V CB 1.253 33.007 31.823 -0.115 0.000 0.998 161 V HN 0.885 nan 8.190 nan 0.000 0.424 162 M N 5.812 125.033 119.600 -0.632 0.000 2.338 162 M HA 0.118 4.598 4.480 -0.000 0.000 0.360 162 M C 1.010 177.212 176.300 -0.164 0.000 1.547 162 M CA 1.129 56.164 55.300 -0.442 0.000 1.001 162 M CB -0.598 31.494 32.600 -0.847 0.000 2.008 162 M HN 1.190 nan 8.290 nan 0.000 0.464 163 T N 2.529 117.053 114.554 -0.051 0.000 3.549 163 T HA -0.261 4.089 4.350 -0.000 0.000 0.398 163 T C 0.161 174.923 174.700 0.103 0.000 0.766 163 T CA 0.948 62.852 62.100 -0.326 0.000 2.007 163 T CB -1.633 66.962 68.868 -0.454 0.000 1.727 163 T HN 0.979 nan 8.240 nan 0.000 0.693 164 R N 1.588 122.215 120.500 0.211 0.000 2.486 164 R HA 0.108 4.447 4.340 -0.000 0.000 0.304 164 R C -1.955 174.495 176.300 0.251 0.000 0.913 164 R CA -0.855 55.363 56.100 0.197 0.000 1.124 164 R CB 0.175 30.590 30.300 0.192 0.000 0.891 164 R HN 0.352 nan 8.270 nan 0.000 0.410 165 P HA 0.067 nan 4.420 nan 0.000 0.270 165 P C -2.448 174.919 177.300 0.111 0.000 1.223 165 P CA -1.006 62.159 63.100 0.107 0.000 0.785 165 P CB 0.237 31.938 31.700 0.002 0.000 0.923 166 P HA 0.073 nan 4.420 nan 0.000 0.274 166 P C -0.413 176.944 177.300 0.094 0.000 1.246 166 P CA -0.117 63.041 63.100 0.096 0.000 0.795 166 P CB 0.172 31.921 31.700 0.081 0.000 1.006 167 H N -0.338 118.747 119.070 0.026 0.000 3.064 167 H HA 0.365 4.921 4.556 -0.000 0.000 0.329 167 H C 0.812 176.145 175.328 0.008 0.000 1.020 167 H CA 2.396 58.453 56.048 0.015 0.000 1.402 167 H CB -0.488 29.279 29.762 0.008 0.000 1.379 167 H HN 0.801 nan 8.280 nan 0.000 0.594 168 G N 3.691 112.183 108.800 -0.514 0.000 2.398 168 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.251 168 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.251 168 G C -2.064 172.682 174.900 -0.256 0.000 1.277 168 G CA -0.342 44.549 45.100 -0.348 0.000 0.927 168 G HN 0.471 nan 8.290 nan 0.000 0.477 169 P HA 0.037 nan 4.420 nan 0.000 0.219 169 P C 1.633 178.882 177.300 -0.086 0.000 1.146 169 P CA 1.031 64.067 63.100 -0.108 0.000 0.808 169 P CB 0.103 31.753 31.700 -0.085 0.000 0.779 170 L N -1.896 119.274 121.223 -0.089 0.000 2.592 170 L HA 0.210 4.550 4.340 -0.000 0.000 0.227 170 L C 0.708 177.559 176.870 -0.031 0.000 1.127 170 L CA 0.191 54.995 54.840 -0.059 0.000 0.884 170 L CB -0.399 41.596 42.059 -0.107 0.000 1.065 170 L HN -0.015 nan 8.230 nan 0.000 0.457 171 N N 0.189 118.860 118.700 -0.048 0.000 2.969 171 N HA 0.127 4.867 4.740 -0.000 0.000 0.230 171 N C -2.457 173.039 175.510 -0.023 0.000 1.397 171 N CA -0.925 52.124 53.050 -0.001 0.000 0.762 171 N CB 1.325 39.839 38.487 0.045 0.000 1.495 171 N HN -0.243 nan 8.380 nan 0.000 0.583 172 P HA 0.084 nan 4.420 nan 0.000 0.257 172 P C 0.391 177.772 177.300 0.134 0.000 1.281 172 P CA 0.209 63.314 63.100 0.009 0.000 0.826 172 P CB -0.141 31.556 31.700 -0.005 0.000 1.237 173 T N -2.546 112.094 114.554 0.143 0.000 2.788 173 T HA 0.235 4.585 4.350 -0.000 0.000 0.280 173 T C 1.165 175.946 174.700 0.134 0.000 0.984 173 T CA -0.486 61.686 62.100 0.119 0.000 0.972 173 T CB 1.034 69.953 68.868 0.085 0.000 1.039 173 T HN -0.194 nan 8.240 nan 0.000 0.530 174 K N 0.576 121.004 120.400 0.046 0.000 2.426 174 K HA 0.117 4.437 4.320 -0.000 0.000 0.193 174 K C 0.990 177.568 176.600 -0.036 0.000 1.028 174 K CA 0.322 56.587 56.287 -0.036 0.000 1.047 174 K CB -0.144 32.335 32.500 -0.035 0.000 0.821 174 K HN 0.910 nan 8.250 nan 0.000 0.513 175 T N -0.511 114.059 114.554 0.027 0.000 2.906 175 T HA 0.532 4.882 4.350 -0.000 0.000 0.295 175 T C -0.809 173.938 174.700 0.079 0.000 1.061 175 T CA -0.906 61.218 62.100 0.040 0.000 1.000 175 T CB 2.644 71.544 68.868 0.053 0.000 1.103 175 T HN 0.051 nan 8.240 nan 0.000 0.486 176 D N -0.238 120.213 120.400 0.085 0.000 2.838 176 D HA 0.267 4.907 4.640 -0.000 0.000 0.334 176 D C 0.494 176.863 176.300 0.115 0.000 1.315 176 D CA -0.684 53.381 54.000 0.110 0.000 0.917 176 D CB 0.112 40.982 40.800 0.117 0.000 1.435 176 D HN 0.358 nan 8.370 nan 0.000 0.517 177 E N -0.642 119.630 120.200 0.120 0.000 2.418 177 E HA -0.017 4.333 4.350 -0.000 0.000 0.197 177 E C 1.252 177.903 176.600 0.084 0.000 1.026 177 E CA 1.025 57.492 56.400 0.112 0.000 0.862 177 E CB -0.270 29.483 29.700 0.089 0.000 0.799 177 E HN 0.548 nan 8.360 nan 0.000 0.518 178 T N 0.264 114.866 114.554 0.081 0.000 2.894 178 T HA -0.086 4.264 4.350 -0.000 0.000 0.258 178 T C 2.119 176.915 174.700 0.161 0.000 1.043 178 T CA 1.692 63.853 62.100 0.103 0.000 1.141 178 T CB -0.179 68.739 68.868 0.083 0.000 0.873 178 T HN 0.371 nan 8.240 nan 0.000 0.449 179 T N 0.431 115.058 114.554 0.123 0.000 2.942 179 T HA -0.066 4.284 4.350 -0.000 0.000 0.265 179 T C 1.507 176.325 174.700 0.198 0.000 1.062 179 T CA 0.911 63.092 62.100 0.135 0.000 1.139 179 T CB -0.366 68.522 68.868 0.033 0.000 0.883 179 T HN 0.079 nan 8.240 nan 0.000 0.468 180 D N 1.994 122.488 120.400 0.157 0.000 2.144 180 D HA 0.106 4.746 4.640 -0.000 0.000 0.200 180 D C 2.434 178.830 176.300 0.160 0.000 0.978 180 D CA 1.400 55.489 54.000 0.149 0.000 0.833 180 D CB -0.593 40.286 40.800 0.132 0.000 0.961 180 D HN 0.567 nan 8.370 nan 0.000 0.470 181 A N -0.218 122.700 122.820 0.163 0.000 1.898 181 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 181 A C 2.175 179.860 177.584 0.169 0.000 1.181 181 A CA 1.098 53.216 52.037 0.135 0.000 0.620 181 A CB -1.164 17.904 19.000 0.113 0.000 0.819 181 A HN 0.368 nan 8.150 nan 0.000 0.442 182 W N 1.191 122.538 121.300 0.079 0.000 2.355 182 W HA -0.180 4.480 4.660 -0.000 0.000 0.309 182 W C 1.402 177.994 176.519 0.123 0.000 1.206 182 W CA 1.916 59.339 57.345 0.131 0.000 1.284 182 W CB 0.045 29.583 29.460 0.130 0.000 1.145 182 W HN 0.373 nan 8.180 nan 0.000 0.502 183 D N -1.038 119.652 120.400 0.482 0.000 2.178 183 D HA -0.145 4.495 4.640 -0.000 0.000 0.202 183 D C 2.104 178.521 176.300 0.195 0.000 0.974 183 D CA 1.898 56.116 54.000 0.364 0.000 0.841 183 D CB -0.734 40.233 40.800 0.278 0.000 0.953 183 D HN 0.154 nan 8.370 nan 0.000 0.478 184 T N 0.347 114.973 114.554 0.120 0.000 2.770 184 T HA -0.059 4.291 4.350 -0.000 0.000 0.263 184 T C 2.279 177.000 174.700 0.036 0.000 1.039 184 T CA 0.575 62.719 62.100 0.073 0.000 1.142 184 T CB -0.224 68.666 68.868 0.038 0.000 0.868 184 T HN -0.032 nan 8.240 nan 0.000 0.435 185 V N 1.848 121.690 119.914 -0.119 0.000 2.343 185 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 185 V C 2.399 178.208 176.094 -0.476 0.000 1.051 185 V CA 1.920 64.029 62.300 -0.318 0.000 1.036 185 V CB -0.619 30.914 31.823 -0.484 0.000 0.654 185 V HN 0.456 nan 8.190 nan 0.000 0.451 186 D N -1.171 118.891 120.400 -0.564 0.000 2.104 186 D HA -0.270 4.370 4.640 -0.000 0.000 0.194 186 D C 1.876 178.191 176.300 0.025 0.000 0.994 186 D CA 1.748 55.530 54.000 -0.363 0.000 0.830 186 D CB -0.266 40.483 40.800 -0.084 0.000 0.959 186 D HN 0.538 nan 8.370 nan 0.000 0.452 187 W N 0.660 121.923 121.300 -0.061 0.000 2.342 187 W HA -0.124 4.536 4.660 -0.000 0.000 0.297 187 W C 2.011 178.517 176.519 -0.021 0.000 1.213 187 W CA 1.267 58.611 57.345 -0.001 0.000 1.251 187 W CB -0.257 29.202 29.460 -0.001 0.000 1.136 187 W HN 0.034 nan 8.180 nan 0.000 0.526 188 L N 0.094 121.449 121.223 0.219 0.000 2.017 188 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 188 L C 2.492 179.263 176.870 -0.165 0.000 1.073 188 L CA 1.649 56.531 54.840 0.070 0.000 0.745 188 L CB -1.461 40.635 42.059 0.062 0.000 0.894 188 L HN 0.051 nan 8.230 nan 0.000 0.432 189 V N -4.085 115.702 119.914 -0.212 0.000 3.141 189 V HA -0.184 3.936 4.120 -0.000 0.000 0.265 189 V C 1.536 177.363 176.094 -0.445 0.000 1.126 189 V CA 1.448 63.561 62.300 -0.311 0.000 1.141 189 V CB -0.953 30.662 31.823 -0.346 0.000 0.743 189 V HN 0.469 nan 8.190 nan 0.000 0.492 190 H N 0.205 119.107 119.070 -0.280 0.000 2.705 190 H HA 0.378 4.934 4.556 -0.000 0.000 0.269 190 H C 1.014 176.086 175.328 -0.426 0.000 0.998 190 H CA 0.679 56.551 56.048 -0.293 0.000 1.193 190 H CB 0.295 29.909 29.762 -0.246 0.000 1.485 190 H HN 0.520 nan 8.280 nan 0.000 0.521 191 N N -0.167 118.209 118.700 -0.541 0.000 2.299 191 N HA 0.186 4.926 4.740 -0.000 0.000 0.246 191 N C -1.271 173.968 175.510 -0.452 0.000 1.254 191 N CA 0.073 52.699 53.050 -0.706 0.000 0.879 191 N CB 2.214 39.674 38.487 -1.713 0.000 1.214 191 N HN -0.109 nan 8.380 nan 0.000 0.510 192 V N 1.612 121.362 119.914 -0.274 0.000 2.454 192 V HA 0.261 4.381 4.120 -0.000 0.000 0.267 192 V C -1.917 174.105 176.094 -0.119 0.000 0.993 192 V CA -1.134 61.082 62.300 -0.140 0.000 0.836 192 V CB 1.665 33.439 31.823 -0.081 0.000 1.055 192 V HN -0.030 nan 8.190 nan 0.000 0.452 193 P HA -0.092 nan 4.420 nan 0.000 0.219 193 P C 1.068 178.327 177.300 -0.067 0.000 1.146 193 P CA 0.993 64.044 63.100 -0.082 0.000 0.808 193 P CB 0.437 32.099 31.700 -0.063 0.000 0.779 194 E N -0.534 119.634 120.200 -0.053 0.000 2.482 194 E HA -0.010 4.340 4.350 -0.000 0.000 0.196 194 E C 0.824 177.387 176.600 -0.060 0.000 1.047 194 E CA 0.194 56.567 56.400 -0.044 0.000 0.869 194 E CB -0.420 29.267 29.700 -0.022 0.000 0.836 194 E HN 0.331 nan 8.360 nan 0.000 0.520 195 S N 0.682 116.335 115.700 -0.077 0.000 2.713 195 S HA 0.209 4.679 4.470 -0.000 0.000 0.283 195 S C 0.724 175.258 174.600 -0.109 0.000 1.161 195 S CA -0.742 57.401 58.200 -0.095 0.000 0.999 195 S CB 0.990 64.129 63.200 -0.101 0.000 1.039 195 S HN 0.144 nan 8.310 nan 0.000 0.548 196 N N -0.300 118.328 118.700 -0.120 0.000 2.270 196 N HA 0.217 4.957 4.740 -0.000 0.000 0.198 196 N C 1.146 176.581 175.510 -0.126 0.000 1.117 196 N CA 0.334 53.314 53.050 -0.118 0.000 0.845 196 N CB -0.331 38.086 38.487 -0.118 0.000 0.980 196 N HN 1.347 nan 8.380 nan 0.000 0.486 197 G N 0.294 109.009 108.800 -0.142 0.000 2.162 197 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.260 197 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.260 197 G C -0.423 174.393 174.900 -0.141 0.000 0.976 197 G CA -0.042 44.961 45.100 -0.161 0.000 0.655 197 G HN 0.411 nan 8.290 nan 0.000 0.533 198 R N -0.060 120.364 120.500 -0.127 0.000 2.338 198 R HA 0.636 4.976 4.340 -0.000 0.000 0.317 198 R C -0.479 175.753 176.300 -0.114 0.000 0.968 198 R CA -0.593 55.439 56.100 -0.114 0.000 0.849 198 R CB 2.147 32.382 30.300 -0.108 0.000 1.128 198 R HN 0.155 nan 8.270 nan 0.000 0.448 199 V N 1.242 121.088 119.914 -0.113 0.000 2.555 199 V HA 0.670 4.790 4.120 -0.000 0.000 0.302 199 V C 0.448 176.471 176.094 -0.119 0.000 1.038 199 V CA -0.856 61.383 62.300 -0.103 0.000 0.887 199 V CB 2.162 33.916 31.823 -0.115 0.000 0.991 199 V HN 0.923 nan 8.190 nan 0.000 0.434 200 G N 3.549 112.300 108.800 -0.081 0.000 2.495 200 G HA2 0.737 4.697 3.960 -0.000 0.000 0.318 200 G HA3 0.737 4.697 3.960 -0.000 0.000 0.318 200 G C -1.046 173.878 174.900 0.039 0.000 1.257 200 G CA -0.681 44.345 45.100 -0.124 0.000 0.962 200 G HN 0.519 nan 8.290 nan 0.000 0.483 201 M N 1.074 120.719 119.600 0.076 0.000 2.528 201 M HA 0.626 5.106 4.480 -0.000 0.000 0.321 201 M C -0.111 176.307 176.300 0.195 0.000 1.153 201 M CA -0.586 54.766 55.300 0.087 0.000 0.951 201 M CB 2.774 35.388 32.600 0.023 0.000 1.705 201 M HN 0.615 nan 8.290 nan 0.000 0.451 202 T N 0.726 115.339 114.554 0.099 0.000 2.762 202 T HA 0.889 5.239 4.350 -0.000 0.000 0.301 202 T C -1.332 173.403 174.700 0.058 0.000 1.299 202 T CA 0.051 62.211 62.100 0.100 0.000 1.005 202 T CB 2.102 71.061 68.868 0.152 0.000 1.377 202 T HN 1.046 nan 8.240 nan 0.000 0.504 203 G N 0.717 109.562 108.800 0.075 0.000 2.352 203 G HA2 0.429 4.388 3.960 -0.000 0.000 0.305 203 G HA3 0.429 4.388 3.960 -0.000 0.000 0.305 203 G C -1.303 173.673 174.900 0.126 0.000 1.537 203 G CA 0.092 45.263 45.100 0.119 0.000 0.959 203 G HN 0.817 nan 8.290 nan 0.000 0.668 204 S N -0.286 115.508 115.700 0.157 0.000 2.532 204 S HA 0.857 5.327 4.470 -0.000 0.000 0.301 204 S C 0.898 175.649 174.600 0.252 0.000 1.083 204 S CA 1.303 59.581 58.200 0.130 0.000 1.025 204 S CB 1.435 64.645 63.200 0.016 0.000 1.056 204 S HN 2.489 nan 8.310 nan 0.000 0.494 205 S N 2.223 118.095 115.700 0.286 0.000 4.116 205 S HA -0.320 4.150 4.470 -0.000 0.000 0.623 205 S C 0.858 175.728 174.600 0.449 0.000 1.933 205 S CA 1.463 59.933 58.200 0.450 0.000 4.224 205 S CB -1.917 61.644 63.200 0.601 0.000 0.208 205 S HN 0.998 nan 8.310 nan 0.000 0.527 206 Y N 2.171 122.717 120.300 0.410 0.000 2.224 206 Y HA -0.014 4.536 4.550 -0.000 0.000 0.289 206 Y C 2.445 178.580 175.900 0.392 0.000 1.146 206 Y CA 2.212 60.535 58.100 0.371 0.000 1.182 206 Y CB -0.186 38.446 38.460 0.286 0.000 0.983 206 Y HN 0.620 nan 8.280 nan 0.000 0.524 207 E N -0.983 119.558 120.200 0.570 0.000 2.409 207 E HA -0.127 4.223 4.350 -0.000 0.000 0.198 207 E C 2.109 178.897 176.600 0.314 0.000 1.024 207 E CA 0.630 57.279 56.400 0.415 0.000 0.861 207 E CB -0.154 29.761 29.700 0.359 0.000 0.788 207 E HN 0.611 nan 8.360 nan 0.000 0.521 208 G N 0.513 109.505 108.800 0.321 0.000 2.545 208 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.212 208 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.212 208 G C 1.234 176.289 174.900 0.258 0.000 1.144 208 G CA -0.219 45.024 45.100 0.239 0.000 0.813 208 G HN 0.270 nan 8.290 nan 0.000 0.531 209 F N 3.178 123.221 119.950 0.155 0.000 2.171 209 F HA -0.122 4.405 4.527 -0.000 0.000 0.300 209 F C 2.761 178.633 175.800 0.121 0.000 1.090 209 F CA 2.209 60.267 58.000 0.097 0.000 1.293 209 F CB -0.361 38.593 39.000 -0.077 0.000 1.013 209 F HN 0.164 nan 8.300 nan 0.000 0.486 210 T N -2.419 112.200 114.554 0.108 0.000 2.951 210 T HA -0.070 4.280 4.350 -0.000 0.000 0.268 210 T C 1.952 176.643 174.700 -0.015 0.000 1.073 210 T CA 1.213 63.318 62.100 0.009 0.000 1.134 210 T CB -1.049 67.947 68.868 0.214 0.000 0.884 210 T HN 0.164 nan 8.240 nan 0.000 0.479 211 V N 1.341 121.272 119.914 0.028 0.000 2.379 211 V HA -0.097 4.023 4.120 -0.000 0.000 0.245 211 V C 2.912 178.993 176.094 -0.022 0.000 1.044 211 V CA 1.169 63.472 62.300 0.005 0.000 1.036 211 V CB -0.598 31.225 31.823 0.000 0.000 0.664 211 V HN 0.375 nan 8.190 nan 0.000 0.453 212 V N -0.403 119.505 119.914 -0.009 0.000 2.287 212 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 212 V C 2.518 178.605 176.094 -0.012 0.000 1.053 212 V CA 1.920 64.251 62.300 0.052 0.000 1.027 212 V CB -0.651 31.271 31.823 0.165 0.000 0.646 212 V HN 0.418 nan 8.190 nan 0.000 0.447 213 M N -0.276 119.228 119.600 -0.160 0.000 2.279 213 M HA -0.095 4.385 4.480 -0.000 0.000 0.264 213 M C 2.262 178.547 176.300 -0.025 0.000 1.062 213 M CA 1.931 57.140 55.300 -0.153 0.000 1.099 213 M CB -1.280 31.122 32.600 -0.330 0.000 1.394 213 M HN 0.447 nan 8.290 nan 0.000 0.426 214 A N -0.169 122.649 122.820 -0.004 0.000 1.970 214 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 214 A C 2.148 179.773 177.584 0.068 0.000 1.170 214 A CA 0.668 52.736 52.037 0.051 0.000 0.645 214 A CB -0.594 18.429 19.000 0.039 0.000 0.816 214 A HN 0.457 nan 8.150 nan 0.000 0.447 215 L N -0.171 121.083 121.223 0.052 0.000 2.465 215 L HA -0.031 4.309 4.340 -0.000 0.000 0.224 215 L C 2.043 178.969 176.870 0.093 0.000 1.145 215 L CA 0.178 55.061 54.840 0.072 0.000 0.834 215 L CB -0.331 41.776 42.059 0.081 0.000 0.944 215 L HN 0.383 nan 8.230 nan 0.000 0.451 216 L N -0.664 120.612 121.223 0.087 0.000 2.093 216 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 216 L C 0.410 177.335 176.870 0.092 0.000 1.085 216 L CA 0.989 55.882 54.840 0.088 0.000 0.755 216 L CB -0.096 42.008 42.059 0.074 0.000 0.904 216 L HN 0.222 nan 8.230 nan 0.000 0.435 217 D N -0.552 119.916 120.400 0.114 0.000 2.752 217 D HA 0.178 4.818 4.640 -0.000 0.000 0.242 217 D C -2.618 173.831 176.300 0.249 0.000 1.295 217 D CA -1.372 52.714 54.000 0.144 0.000 0.846 217 D CB 1.116 41.977 40.800 0.101 0.000 1.454 217 D HN -0.137 nan 8.370 nan 0.000 0.535 218 P HA 0.146 nan 4.420 nan 0.000 0.279 218 P C -0.066 177.342 177.300 0.179 0.000 1.239 218 P CA -0.313 62.894 63.100 0.178 0.000 0.789 218 P CB 0.723 32.471 31.700 0.079 0.000 0.933 219 H N 5.161 124.172 119.070 -0.099 0.000 2.815 219 H HA 0.041 4.597 4.556 -0.000 0.000 0.350 219 H C -1.174 174.040 175.328 -0.191 0.000 1.080 219 H CA -1.051 54.749 56.048 -0.413 0.000 1.433 219 H CB 0.777 30.070 29.762 -0.782 0.000 1.432 219 H HN 0.253 nan 8.280 nan 0.000 0.592 220 P HA -0.123 nan 4.420 nan 0.000 0.223 220 P C 0.794 178.085 177.300 -0.014 0.000 1.144 220 P CA 1.365 64.380 63.100 -0.140 0.000 0.783 220 P CB 0.022 31.611 31.700 -0.185 0.000 0.771 221 A N -0.788 122.151 122.820 0.197 0.000 2.169 221 A HA 0.034 4.354 4.320 -0.000 0.000 0.212 221 A C 1.150 178.715 177.584 -0.033 0.000 1.153 221 A CA 0.016 52.093 52.037 0.067 0.000 0.756 221 A CB -0.895 18.115 19.000 0.016 0.000 0.813 221 A HN 0.184 nan 8.150 nan 0.000 0.471 222 L N 0.793 121.999 121.223 -0.027 0.000 2.454 222 L HA 0.234 4.574 4.340 -0.000 0.000 0.284 222 L C 0.693 177.495 176.870 -0.113 0.000 1.139 222 L CA 0.086 54.878 54.840 -0.080 0.000 0.911 222 L CB 0.203 42.230 42.059 -0.054 0.000 1.262 222 L HN 0.008 nan 8.230 nan 0.000 0.453 223 K N 3.536 123.844 120.400 -0.154 0.000 2.400 223 K HA 0.277 4.596 4.320 -0.000 0.000 0.194 223 K C -0.086 176.304 176.600 -0.351 0.000 1.033 223 K CA 0.337 56.506 56.287 -0.197 0.000 1.021 223 K CB 0.352 32.773 32.500 -0.132 0.000 0.808 223 K HN 0.402 nan 8.250 nan 0.000 0.505 224 V N -0.804 118.875 119.914 -0.392 0.000 3.167 224 V HA 0.656 4.776 4.120 -0.000 0.000 0.293 224 V C -2.081 173.781 176.094 -0.388 0.000 1.379 224 V CA -0.739 61.247 62.300 -0.523 0.000 1.019 224 V CB 2.185 33.513 31.823 -0.825 0.000 1.115 224 V HN 0.142 nan 8.190 nan 0.000 0.442 225 A N 3.714 126.444 122.820 -0.149 0.000 2.539 225 A HA 1.038 5.358 4.320 -0.000 0.000 0.296 225 A C -0.523 177.174 177.584 0.189 0.000 1.073 225 A CA -0.154 51.904 52.037 0.036 0.000 0.700 225 A CB 2.115 21.066 19.000 -0.082 0.000 1.296 225 A HN 2.333 nan 8.150 nan 0.000 0.405 226 A N 2.290 125.217 122.820 0.179 0.000 3.127 226 A HA 0.698 5.018 4.320 -0.000 0.000 0.319 226 A C -3.110 174.383 177.584 -0.152 0.000 1.104 226 A CA -1.270 50.742 52.037 -0.042 0.000 0.802 226 A CB 0.320 19.221 19.000 -0.164 0.000 1.193 226 A HN 0.419 nan 8.150 nan 0.000 0.479 227 P HA 0.303 nan 4.420 nan 0.000 0.271 227 P C -0.482 176.801 177.300 -0.029 0.000 1.220 227 P CA 0.493 63.510 63.100 -0.138 0.000 0.768 227 P CB 0.702 32.243 31.700 -0.265 0.000 0.848 228 E N 1.370 121.591 120.200 0.035 0.000 2.165 228 E HA 0.276 4.626 4.350 -0.000 0.000 0.266 228 E C -0.205 176.462 176.600 0.113 0.000 0.889 228 E CA -0.717 55.702 56.400 0.032 0.000 0.756 228 E CB 0.750 30.430 29.700 -0.033 0.000 1.131 228 E HN 0.243 nan 8.360 nan 0.000 0.411 229 S N 2.477 118.266 115.700 0.149 0.000 3.378 229 S HA -0.140 4.330 4.470 -0.000 0.000 0.365 229 S C -2.169 172.609 174.600 0.296 0.000 0.951 229 S CA 0.224 58.560 58.200 0.226 0.000 1.274 229 S CB -1.513 61.802 63.200 0.192 0.000 0.915 229 S HN 0.469 nan 8.310 nan 0.000 0.513 230 P HA 0.267 nan 4.420 nan 0.000 0.276 230 P C -0.137 177.338 177.300 0.292 0.000 1.244 230 P CA -0.653 62.641 63.100 0.323 0.000 0.801 230 P CB 0.560 32.484 31.700 0.374 0.000 1.006 231 M N 2.344 122.103 119.600 0.265 0.000 2.264 231 M HA 0.094 4.573 4.480 -0.000 0.000 0.340 231 M C 0.826 177.295 176.300 0.281 0.000 1.420 231 M CA -0.206 55.184 55.300 0.150 0.000 1.254 231 M CB 0.422 32.994 32.600 -0.047 0.000 1.575 231 M HN 0.117 nan 8.290 nan 0.000 0.452 232 V N 0.439 120.507 119.914 0.257 0.000 2.743 232 V HA 0.125 4.244 4.120 -0.000 0.000 0.237 232 V C 0.264 176.514 176.094 0.261 0.000 1.113 232 V CA 0.964 63.447 62.300 0.304 0.000 1.141 232 V CB 0.427 32.441 31.823 0.319 0.000 0.873 232 V HN 0.719 nan 8.190 nan 0.000 0.486 233 D N -0.194 120.312 120.400 0.176 0.000 2.402 233 D HA 0.332 4.972 4.640 -0.000 0.000 0.252 233 D C 0.884 177.144 176.300 -0.067 0.000 1.294 233 D CA 0.313 54.359 54.000 0.077 0.000 0.948 233 D CB 1.634 42.392 40.800 -0.070 0.000 1.202 233 D HN 0.177 nan 8.370 nan 0.000 0.561 234 G N 1.879 110.724 108.800 0.074 0.000 2.559 234 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 234 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 234 G C 1.041 175.919 174.900 -0.037 0.000 1.126 234 G CA 0.113 45.181 45.100 -0.053 0.000 0.778 234 G HN 0.540 nan 8.290 nan 0.000 0.543 235 W N -0.122 120.988 121.300 -0.318 0.000 2.640 235 W HA 0.267 4.927 4.660 -0.000 0.000 0.271 235 W C 2.359 178.468 176.519 -0.683 0.000 1.218 235 W CA 0.165 57.212 57.345 -0.498 0.000 1.382 235 W CB 0.274 29.319 29.460 -0.693 0.000 1.067 235 W HN -0.038 nan 8.180 nan 0.000 0.590 236 M N -0.379 118.841 119.600 -0.634 0.000 2.099 236 M HA 0.150 4.630 4.480 -0.000 0.000 0.262 236 M C 1.489 176.882 176.300 -1.511 0.000 1.067 236 M CA 1.947 56.450 55.300 -1.328 0.000 1.124 236 M CB -1.332 30.061 32.600 -2.011 0.000 1.353 236 M HN 0.233 nan 8.290 nan 0.000 0.410 237 G N -1.029 107.040 108.800 -1.218 0.000 5.310 237 G HA2 0.104 4.064 3.960 -0.000 0.000 0.203 237 G HA3 0.104 4.064 3.960 -0.000 0.000 0.203 237 G C -0.230 174.356 174.900 -0.522 0.000 0.800 237 G CA -0.385 44.115 45.100 -0.999 0.000 0.754 237 G HN 0.190 nan 8.290 nan 0.000 0.308 238 D N 0.026 120.237 120.400 -0.315 0.000 3.213 238 D HA 0.164 4.804 4.640 -0.000 0.000 0.229 238 D C 1.034 177.219 176.300 -0.191 0.000 1.179 238 D CA -0.128 53.781 54.000 -0.152 0.000 1.218 238 D CB 0.622 41.338 40.800 -0.140 0.000 0.950 238 D HN -0.074 nan 8.370 nan 0.000 0.232 239 D N -0.570 119.537 120.400 -0.487 0.000 2.162 239 D HA -0.013 4.627 4.640 -0.000 0.000 0.205 239 D C 2.235 178.210 176.300 -0.541 0.000 0.964 239 D CA 0.632 54.217 54.000 -0.693 0.000 0.847 239 D CB 0.178 40.200 40.800 -1.296 0.000 0.988 239 D HN 0.360 nan 8.370 nan 0.000 0.480 240 W N 0.076 121.318 121.300 -0.097 0.000 2.480 240 W HA 0.077 4.737 4.660 -0.000 0.000 0.299 240 W C 0.638 176.828 176.519 -0.548 0.000 1.187 240 W CA -0.370 56.837 57.345 -0.229 0.000 1.347 240 W CB -0.029 29.487 29.460 0.094 0.000 1.121 240 W HN -0.208 nan 8.180 nan 0.000 0.533 241 F N -1.708 118.203 119.950 -0.065 0.000 2.650 241 F HA 0.427 4.954 4.527 -0.000 0.000 0.320 241 F C -0.288 175.391 175.800 -0.203 0.000 1.091 241 F CA -1.422 56.437 58.000 -0.235 0.000 0.962 241 F CB 1.141 39.676 39.000 -0.775 0.000 1.363 241 F HN -0.296 nan 8.300 nan 0.000 0.482 242 H N 1.144 120.104 119.070 -0.183 0.000 2.991 242 H HA 0.208 4.764 4.556 -0.000 0.000 0.304 242 H C -1.189 173.881 175.328 -0.430 0.000 1.040 242 H CA -0.839 55.024 56.048 -0.307 0.000 1.410 242 H CB 0.763 30.511 29.762 -0.023 0.000 1.529 242 H HN 0.650 nan 8.280 nan 0.000 0.509 243 Y N 1.747 121.668 120.300 -0.633 0.000 3.108 243 Y HA -0.305 4.245 4.550 -0.000 0.000 0.208 243 Y C 1.566 176.893 175.900 -0.954 0.000 1.245 243 Y CA 1.457 59.091 58.100 -0.776 0.000 1.171 243 Y CB -1.794 36.370 38.460 -0.494 0.000 1.331 243 Y HN 1.136 nan 8.280 nan 0.000 0.534 244 G N -2.029 105.838 108.800 -1.556 0.000 2.253 244 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.251 244 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.251 244 G C 0.449 175.249 174.900 -0.168 0.000 0.998 244 G CA -0.060 44.277 45.100 -1.271 0.000 0.621 244 G HN 1.611 nan 8.290 nan 0.000 0.524 245 A N 0.388 123.174 122.820 -0.057 0.000 2.404 245 A HA 0.625 4.945 4.320 -0.000 0.000 0.273 245 A C -0.109 177.681 177.584 0.342 0.000 1.144 245 A CA -0.193 51.935 52.037 0.151 0.000 0.806 245 A CB 0.200 19.166 19.000 -0.057 0.000 1.080 245 A HN 1.273 nan 8.150 nan 0.000 0.509 246 F N 2.919 122.965 119.950 0.161 0.000 2.427 246 F HA 0.424 4.951 4.527 -0.000 0.000 0.352 246 F C 0.700 176.399 175.800 -0.167 0.000 1.100 246 F CA -0.391 57.507 58.000 -0.170 0.000 1.191 246 F CB 0.751 39.698 39.000 -0.089 0.000 1.128 246 F HN 0.570 nan 8.300 nan 0.000 0.533 247 R N 5.738 125.463 120.500 -1.292 0.000 2.198 247 R HA 0.150 4.490 4.340 -0.000 0.000 0.339 247 R C 0.809 176.029 176.300 -1.799 0.000 1.020 247 R CA -0.291 55.007 56.100 -1.337 0.000 0.864 247 R CB 0.804 30.510 30.300 -0.990 0.000 1.105 247 R HN 0.765 nan 8.270 nan 0.000 0.463 248 Q N 1.353 120.307 119.800 -1.411 0.000 2.488 248 Q HA -0.050 4.290 4.340 -0.000 0.000 0.211 248 Q C 1.591 176.703 176.000 -1.481 0.000 0.967 248 Q CA 0.915 55.944 55.803 -1.290 0.000 0.926 248 Q CB 0.367 28.469 28.738 -1.061 0.000 0.992 248 Q HN 0.863 nan 8.270 nan 0.000 0.506 249 G N 0.602 108.343 108.800 -1.765 0.000 2.650 249 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.214 249 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.214 249 G C 1.402 175.649 174.900 -1.089 0.000 1.136 249 G CA 0.556 44.465 45.100 -1.985 0.000 0.789 249 G HN 0.369 nan 8.290 nan 0.000 0.536 250 A N 0.690 122.897 122.820 -1.023 0.000 2.019 250 A HA 0.119 4.439 4.320 -0.000 0.000 0.219 250 A C 1.974 178.928 177.584 -1.050 0.000 1.164 250 A CA 0.972 52.508 52.037 -0.835 0.000 0.644 250 A CB -0.453 18.150 19.000 -0.661 0.000 0.805 250 A HN 0.252 nan 8.150 nan 0.000 0.449 251 F N 0.906 120.467 119.950 -0.649 0.000 2.069 251 F HA -0.176 4.351 4.527 -0.000 0.000 0.298 251 F C 2.115 177.742 175.800 -0.288 0.000 1.113 251 F CA 1.446 59.193 58.000 -0.422 0.000 1.214 251 F CB -0.811 38.118 39.000 -0.118 0.000 0.978 251 F HN 0.239 nan 8.300 nan 0.000 0.474 252 D N -1.453 118.908 120.400 -0.066 0.000 2.218 252 D HA -0.229 4.411 4.640 -0.000 0.000 0.204 252 D C 2.062 178.358 176.300 -0.006 0.000 0.976 252 D CA 1.059 55.041 54.000 -0.030 0.000 0.853 252 D CB -0.543 40.219 40.800 -0.064 0.000 0.939 252 D HN 0.378 nan 8.370 nan 0.000 0.481 253 Y N 0.218 120.414 120.300 -0.173 0.000 2.314 253 Y HA -0.130 4.420 4.550 -0.000 0.000 0.293 253 Y C 2.032 178.034 175.900 0.171 0.000 1.129 253 Y CA 1.222 59.314 58.100 -0.013 0.000 1.201 253 Y CB -0.297 38.162 38.460 -0.002 0.000 0.999 253 Y HN -0.111 nan 8.280 nan 0.000 0.541 254 F N -1.522 118.509 119.950 0.135 0.000 2.084 254 F HA -0.236 4.291 4.527 -0.000 0.000 0.296 254 F C 2.265 178.020 175.800 -0.075 0.000 1.111 254 F CA 0.881 58.907 58.000 0.043 0.000 1.224 254 F CB -0.611 38.422 39.000 0.054 0.000 0.991 254 F HN -0.184 nan 8.300 nan 0.000 0.471 255 V N -0.921 119.019 119.914 0.042 0.000 2.515 255 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 255 V C 2.354 178.482 176.094 0.057 0.000 1.058 255 V CA 1.975 64.265 62.300 -0.016 0.000 1.064 255 V CB -0.552 31.230 31.823 -0.069 0.000 0.675 255 V HN 0.338 nan 8.190 nan 0.000 0.461 256 S N -1.013 114.691 115.700 0.007 0.000 2.387 256 S HA -0.149 4.321 4.470 -0.000 0.000 0.226 256 S C 1.900 176.467 174.600 -0.055 0.000 1.026 256 S CA 1.093 59.282 58.200 -0.018 0.000 0.972 256 S CB -0.052 63.133 63.200 -0.026 0.000 0.814 256 S HN 0.580 nan 8.310 nan 0.000 0.477 257 Q N -0.509 119.219 119.800 -0.121 0.000 2.352 257 Q HA 0.336 4.675 4.340 -0.000 0.000 0.212 257 Q C 0.829 176.791 176.000 -0.064 0.000 0.888 257 Q CA 0.369 56.072 55.803 -0.167 0.000 0.934 257 Q CB 0.380 28.900 28.738 -0.363 0.000 1.093 257 Q HN 0.565 nan 8.270 nan 0.000 0.523 258 M N -0.884 118.783 119.600 0.112 0.000 2.504 258 M HA 0.142 4.622 4.480 -0.000 0.000 0.370 258 M C 0.872 177.320 176.300 0.247 0.000 1.110 258 M CA 0.086 55.521 55.300 0.226 0.000 0.938 258 M CB 0.912 33.740 32.600 0.380 0.000 1.460 258 M HN -0.156 nan 8.290 nan 0.000 0.535 259 T N 0.995 115.670 114.554 0.200 0.000 2.896 259 T HA 0.251 4.601 4.350 -0.000 0.000 0.263 259 T C 0.725 175.424 174.700 -0.001 0.000 1.050 259 T CA 0.962 63.151 62.100 0.148 0.000 1.140 259 T CB 0.220 69.178 68.868 0.151 0.000 0.877 259 T HN 0.475 nan 8.240 nan 0.000 0.457 260 A N -0.163 122.627 122.820 -0.049 0.000 2.593 260 A HA 0.694 5.014 4.320 -0.000 0.000 0.290 260 A C 0.832 178.303 177.584 -0.187 0.000 1.126 260 A CA -0.678 51.296 52.037 -0.105 0.000 0.695 260 A CB 0.886 19.821 19.000 -0.109 0.000 1.290 260 A HN 0.058 nan 8.150 nan 0.000 0.414 261 R N -0.140 120.241 120.500 -0.199 0.000 2.091 261 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 261 R C 1.248 177.225 176.300 -0.537 0.000 1.136 261 R CA 2.239 58.177 56.100 -0.270 0.000 0.959 261 R CB -0.387 29.806 30.300 -0.178 0.000 0.856 261 R HN 0.865 nan 8.270 nan 0.000 0.437 262 G N -1.024 107.451 108.800 -0.542 0.000 2.975 262 G HA2 0.358 4.318 3.960 -0.000 0.000 0.159 262 G HA3 0.358 4.318 3.960 -0.000 0.000 0.159 262 G C -0.411 174.025 174.900 -0.774 0.000 1.525 262 G CA -0.184 44.356 45.100 -0.933 0.000 1.075 262 G HN 0.400 nan 8.290 nan 0.000 0.574 263 G N -1.093 107.526 108.800 -0.302 0.000 2.483 263 G HA2 0.510 4.470 3.960 -0.000 0.000 0.248 263 G HA3 0.510 4.470 3.960 -0.000 0.000 0.248 263 G C 0.161 175.028 174.900 -0.056 0.000 1.248 263 G CA 0.577 45.654 45.100 -0.037 0.000 0.838 263 G HN 0.814 nan 8.290 nan 0.000 0.566 264 G N 0.128 108.917 108.800 -0.018 0.000 3.209 264 G HA2 0.607 4.567 3.960 -0.000 0.000 0.236 264 G HA3 0.607 4.567 3.960 -0.000 0.000 0.236 264 G C -0.623 174.285 174.900 0.014 0.000 1.329 264 G CA -0.763 44.335 45.100 -0.004 0.000 1.015 264 G HN 0.599 nan 8.290 nan 0.000 0.571 265 N N -0.872 117.840 118.700 0.020 0.000 2.577 265 N HA 0.382 5.122 4.740 -0.000 0.000 0.285 265 N C -1.316 174.203 175.510 0.015 0.000 1.309 265 N CA -0.489 52.571 53.050 0.016 0.000 0.798 265 N CB 2.286 40.780 38.487 0.011 0.000 1.463 265 N HN 0.339 nan 8.380 nan 0.000 0.518 266 D N 0.309 120.715 120.400 0.010 0.000 2.451 266 D HA 0.399 5.039 4.640 -0.000 0.000 0.259 266 D C 0.102 176.404 176.300 0.004 0.000 1.201 266 D CA -0.101 53.905 54.000 0.010 0.000 1.028 266 D CB 0.978 41.784 40.800 0.010 0.000 1.095 266 D HN 0.292 nan 8.370 nan 0.000 0.539 267 I N 1.972 122.549 120.570 0.011 0.000 2.352 267 I HA 0.173 4.343 4.170 -0.000 0.000 0.290 267 I C -1.915 174.194 176.117 -0.013 0.000 1.036 267 I CA -1.683 59.610 61.300 -0.012 0.000 1.336 267 I CB 0.923 38.929 38.000 0.010 0.000 1.407 267 I HN 0.049 nan 8.210 nan 0.000 0.497 268 P HA 0.144 nan 4.420 nan 0.000 0.266 268 P C -0.760 176.512 177.300 -0.047 0.000 1.195 268 P CA -0.157 62.918 63.100 -0.041 0.000 0.768 268 P CB 0.499 32.167 31.700 -0.054 0.000 0.838 269 R N 2.074 122.559 120.500 -0.025 0.000 2.711 269 R HA 0.346 4.686 4.340 -0.000 0.000 0.284 269 R C 0.968 177.255 176.300 -0.023 0.000 0.968 269 R CA -0.915 55.176 56.100 -0.015 0.000 0.924 269 R CB 1.618 31.927 30.300 0.017 0.000 1.162 269 R HN 0.345 nan 8.270 nan 0.000 0.465 270 R N 0.545 121.032 120.500 -0.022 0.000 2.057 270 R HA 0.067 4.407 4.340 -0.000 0.000 0.224 270 R C 0.098 176.398 176.300 -0.001 0.000 1.136 270 R CA 1.521 57.610 56.100 -0.018 0.000 0.968 270 R CB 0.053 30.340 30.300 -0.022 0.000 0.863 270 R HN 0.609 nan 8.270 nan 0.000 0.433 271 D N -1.474 118.935 120.400 0.015 0.000 2.228 271 D HA 0.277 4.917 4.640 -0.000 0.000 0.247 271 D C 0.083 176.393 176.300 0.017 0.000 0.995 271 D CA 0.243 54.258 54.000 0.024 0.000 0.903 271 D CB 2.156 42.984 40.800 0.048 0.000 1.205 271 D HN 0.251 nan 8.370 nan 0.000 0.459 272 A N 2.285 125.109 122.820 0.007 0.000 2.015 272 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 272 A C 0.824 178.396 177.584 -0.021 0.000 1.163 272 A CA 0.965 52.994 52.037 -0.012 0.000 0.646 272 A CB 0.022 19.013 19.000 -0.015 0.000 0.806 272 A HN 0.513 nan 8.150 nan 0.000 0.448 273 D N -0.511 119.899 120.400 0.018 0.000 2.274 273 D HA 0.285 4.925 4.640 -0.000 0.000 0.239 273 D C -0.142 176.215 176.300 0.094 0.000 1.104 273 D CA -0.476 53.549 54.000 0.042 0.000 0.840 273 D CB 0.862 41.712 40.800 0.083 0.000 1.100 273 D HN 0.015 nan 8.370 nan 0.000 0.477 274 D N 2.368 122.799 120.400 0.050 0.000 2.312 274 D HA -0.158 4.482 4.640 -0.000 0.000 0.211 274 D C 1.303 177.770 176.300 0.279 0.000 0.964 274 D CA 0.551 54.646 54.000 0.158 0.000 0.877 274 D CB -0.049 40.774 40.800 0.037 0.000 0.924 274 D HN 0.570 nan 8.370 nan 0.000 0.515 275 Y N 1.414 121.795 120.300 0.136 0.000 2.181 275 Y HA -0.229 4.321 4.550 -0.000 0.000 0.288 275 Y C 2.230 178.335 175.900 0.343 0.000 1.146 275 Y CA 1.630 59.889 58.100 0.265 0.000 1.164 275 Y CB -0.212 38.394 38.460 0.242 0.000 0.982 275 Y HN -0.125 nan 8.280 nan 0.000 0.515 276 T N 0.571 115.387 114.554 0.437 0.000 2.732 276 T HA -0.149 4.201 4.350 -0.000 0.000 0.261 276 T C 1.638 176.466 174.700 0.214 0.000 1.040 276 T CA 1.342 63.619 62.100 0.295 0.000 1.145 276 T CB -0.311 68.683 68.868 0.211 0.000 0.866 276 T HN 0.364 nan 8.240 nan 0.000 0.427 277 N N 0.985 119.801 118.700 0.193 0.000 2.061 277 N HA -0.065 4.675 4.740 -0.000 0.000 0.193 277 N C 1.563 177.132 175.510 0.098 0.000 1.030 277 N CA 1.311 54.433 53.050 0.121 0.000 0.856 277 N CB -0.545 37.994 38.487 0.086 0.000 1.023 277 N HN 0.365 nan 8.380 nan 0.000 0.424 278 F N 0.381 120.409 119.950 0.130 0.000 2.293 278 F HA 0.033 4.560 4.527 -0.000 0.000 0.297 278 F C 2.107 178.064 175.800 0.262 0.000 1.089 278 F CA 0.072 58.158 58.000 0.143 0.000 1.377 278 F CB -0.291 38.661 39.000 -0.080 0.000 1.051 278 F HN -0.026 nan 8.300 nan 0.000 0.511 279 L N 0.593 122.050 121.223 0.391 0.000 2.056 279 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 279 L C 2.079 178.973 176.870 0.040 0.000 1.078 279 L CA 1.867 56.764 54.840 0.096 0.000 0.749 279 L CB -0.677 41.334 42.059 -0.080 0.000 0.901 279 L HN -0.033 nan 8.230 nan 0.000 0.433 280 K N -0.905 119.542 120.400 0.078 0.000 2.211 280 K HA -0.020 4.300 4.320 -0.000 0.000 0.203 280 K C 1.976 178.602 176.600 0.043 0.000 1.050 280 K CA 1.005 57.316 56.287 0.041 0.000 0.945 280 K CB -0.198 32.328 32.500 0.044 0.000 0.732 280 K HN 0.426 nan 8.250 nan 0.000 0.451 281 A N 0.866 123.739 122.820 0.089 0.000 1.968 281 A HA 0.126 4.446 4.320 -0.000 0.000 0.217 281 A C 1.429 179.079 177.584 0.109 0.000 1.169 281 A CA 1.611 53.706 52.037 0.097 0.000 0.638 281 A CB -0.411 18.701 19.000 0.187 0.000 0.812 281 A HN 0.436 nan 8.150 nan 0.000 0.446 282 G N -0.912 107.950 108.800 0.104 0.000 2.947 282 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.251 282 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.251 282 G C 0.631 175.639 174.900 0.179 0.000 1.481 282 G CA 0.713 45.841 45.100 0.047 0.000 1.006 282 G HN 1.733 nan 8.290 nan 0.000 0.561 283 S N 1.325 117.203 115.700 0.298 0.000 2.632 283 S HA 0.710 5.179 4.470 -0.000 0.000 0.267 283 S C 1.701 176.590 174.600 0.480 0.000 1.276 283 S CA 0.663 59.123 58.200 0.433 0.000 0.998 283 S CB 1.564 65.022 63.200 0.431 0.000 0.953 283 S HN 2.199 nan 8.310 nan 0.000 0.547 284 A N 1.695 124.874 122.820 0.599 0.000 1.933 284 A HA 0.146 4.466 4.320 -0.000 0.000 0.218 284 A C 2.156 180.108 177.584 0.613 0.000 1.175 284 A CA 1.618 54.109 52.037 0.757 0.000 0.628 284 A CB -1.760 17.804 19.000 0.940 0.000 0.814 284 A HN 1.151 nan 8.150 nan 0.000 0.444 285 G N -1.031 108.139 108.800 0.617 0.000 2.408 285 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 285 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 285 G C 1.893 176.955 174.900 0.270 0.000 1.150 285 G CA 1.419 46.836 45.100 0.528 0.000 0.776 285 G HN 0.564 nan 8.290 nan 0.000 0.542 286 S N -0.341 115.510 115.700 0.251 0.000 2.368 286 S HA -0.093 4.377 4.470 -0.000 0.000 0.224 286 S C 2.056 176.676 174.600 0.032 0.000 1.029 286 S CA 1.295 59.576 58.200 0.134 0.000 0.988 286 S CB -0.409 62.885 63.200 0.156 0.000 0.838 286 S HN 0.361 nan 8.310 nan 0.000 0.462 287 F N 2.232 122.129 119.950 -0.089 0.000 2.134 287 F HA 0.020 4.547 4.527 -0.000 0.000 0.299 287 F C 2.320 177.824 175.800 -0.492 0.000 1.097 287 F CA 1.315 59.144 58.000 -0.285 0.000 1.264 287 F CB -0.769 38.054 39.000 -0.296 0.000 1.001 287 F HN 0.286 nan 8.300 nan 0.000 0.479 288 A N -0.403 122.130 122.820 -0.479 0.000 1.883 288 A HA -0.197 4.122 4.320 -0.000 0.000 0.217 288 A C 2.183 179.487 177.584 -0.466 0.000 1.186 288 A CA 2.376 53.910 52.037 -0.838 0.000 0.624 288 A CB -1.465 16.828 19.000 -1.179 0.000 0.822 288 A HN 0.443 nan 8.150 nan 0.000 0.444 289 T N -0.025 114.389 114.554 -0.233 0.000 2.652 289 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 289 T C 2.065 176.640 174.700 -0.208 0.000 1.039 289 T CA 1.815 63.831 62.100 -0.141 0.000 1.153 289 T CB -0.318 68.517 68.868 -0.054 0.000 0.863 289 T HN 0.619 nan 8.240 nan 0.000 0.428 290 Q N 0.374 120.006 119.800 -0.280 0.000 2.181 290 Q HA -0.007 4.333 4.340 -0.000 0.000 0.205 290 Q C 2.395 178.164 176.000 -0.385 0.000 0.980 290 Q CA 1.296 56.910 55.803 -0.315 0.000 0.862 290 Q CB -0.214 28.302 28.738 -0.370 0.000 0.905 290 Q HN 0.537 nan 8.270 nan 0.000 0.429 291 A N -0.410 122.094 122.820 -0.527 0.000 2.208 291 A HA 0.262 4.582 4.320 -0.000 0.000 0.209 291 A C 1.478 178.908 177.584 -0.257 0.000 1.161 291 A CA 0.810 52.567 52.037 -0.466 0.000 0.782 291 A CB -0.191 18.435 19.000 -0.624 0.000 0.816 291 A HN 0.460 nan 8.150 nan 0.000 0.477 292 G N -1.208 107.476 108.800 -0.193 0.000 2.141 292 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.242 292 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.242 292 G C 0.720 175.649 174.900 0.050 0.000 0.982 292 G CA 0.397 45.466 45.100 -0.052 0.000 0.662 292 G HN 0.425 nan 8.290 nan 0.000 0.527 293 L N 0.250 121.418 121.223 -0.091 0.000 2.362 293 L HA 0.044 4.384 4.340 -0.000 0.000 0.219 293 L C 2.095 179.129 176.870 0.273 0.000 1.134 293 L CA 1.112 55.926 54.840 -0.044 0.000 0.807 293 L CB -0.159 41.609 42.059 -0.484 0.000 0.927 293 L HN 0.096 nan 8.230 nan 0.000 0.447 294 D N -0.022 120.502 120.400 0.206 0.000 2.351 294 D HA -0.192 4.448 4.640 -0.000 0.000 0.216 294 D C 1.924 178.326 176.300 0.169 0.000 0.968 294 D CA 0.789 54.920 54.000 0.219 0.000 0.899 294 D CB 0.034 40.883 40.800 0.081 0.000 0.907 294 D HN 0.588 nan 8.370 nan 0.000 0.514 295 Q N -0.645 119.275 119.800 0.201 0.000 2.319 295 Q HA -0.018 4.322 4.340 -0.000 0.000 0.202 295 Q C -0.347 175.679 176.000 0.043 0.000 0.896 295 Q CA -0.120 55.731 55.803 0.079 0.000 0.942 295 Q CB -0.044 28.692 28.738 -0.003 0.000 1.083 295 Q HN 0.245 nan 8.270 nan 0.000 0.510 296 Y N 1.492 121.843 120.300 0.086 0.000 2.404 296 Y HA 0.265 4.815 4.550 -0.000 0.000 0.344 296 Y C -1.621 174.331 175.900 0.087 0.000 0.970 296 Y CA -2.535 55.624 58.100 0.099 0.000 1.180 296 Y CB 1.529 40.072 38.460 0.139 0.000 1.138 296 Y HN 0.043 nan 8.280 nan 0.000 0.510 297 P HA -0.284 nan 4.420 nan 0.000 0.216 297 P C 1.619 178.961 177.300 0.071 0.000 1.157 297 P CA 1.524 64.668 63.100 0.073 0.000 0.880 297 P CB 0.040 31.774 31.700 0.058 0.000 0.791 298 F N -1.033 118.910 119.950 -0.011 0.000 2.161 298 F HA -0.168 4.359 4.527 -0.000 0.000 0.300 298 F C 2.234 177.950 175.800 -0.139 0.000 1.089 298 F CA 1.308 59.242 58.000 -0.109 0.000 1.282 298 F CB -0.719 38.153 39.000 -0.212 0.000 1.010 298 F HN 0.029 nan 8.300 nan 0.000 0.485 299 W N 1.110 122.258 121.300 -0.254 0.000 2.418 299 W HA -0.179 4.481 4.660 -0.000 0.000 0.292 299 W C 1.944 178.331 176.519 -0.219 0.000 1.213 299 W CA 1.290 58.476 57.345 -0.265 0.000 1.283 299 W CB -0.375 29.052 29.460 -0.055 0.000 1.119 299 W HN 0.145 nan 8.180 nan 0.000 0.542 300 Q N 0.364 119.977 119.800 -0.312 0.000 2.096 300 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 300 Q C 2.352 178.067 176.000 -0.476 0.000 0.982 300 Q CA 2.128 57.680 55.803 -0.419 0.000 0.850 300 Q CB -0.316 28.294 28.738 -0.214 0.000 0.901 300 Q HN 0.301 nan 8.270 nan 0.000 0.422 301 R N 0.061 120.280 120.500 -0.469 0.000 2.073 301 R HA -0.053 4.287 4.340 -0.000 0.000 0.229 301 R C 2.299 178.234 176.300 -0.608 0.000 1.120 301 R CA 1.347 57.098 56.100 -0.580 0.000 0.967 301 R CB -0.364 29.562 30.300 -0.624 0.000 0.862 301 R HN 0.328 nan 8.270 nan 0.000 0.436 302 M N 0.437 119.696 119.600 -0.569 0.000 2.159 302 M HA -0.201 4.279 4.480 -0.000 0.000 0.263 302 M C 2.386 178.542 176.300 -0.240 0.000 1.063 302 M CA 1.693 56.893 55.300 -0.167 0.000 1.110 302 M CB -0.295 32.251 32.600 -0.091 0.000 1.374 302 M HN 0.213 nan 8.290 nan 0.000 0.411 303 H N 0.031 118.542 119.070 -0.932 0.000 2.421 303 H HA -0.060 4.496 4.556 -0.000 0.000 0.298 303 H C 1.539 176.626 175.328 -0.402 0.000 1.087 303 H CA 1.792 57.231 56.048 -1.015 0.000 1.330 303 H CB 0.136 29.038 29.762 -1.433 0.000 1.388 303 H HN 0.535 nan 8.280 nan 0.000 0.526 304 A N 0.194 122.764 122.820 -0.415 0.000 2.178 304 A HA -0.010 4.310 4.320 -0.000 0.000 0.211 304 A C 0.318 177.523 177.584 -0.632 0.000 1.157 304 A CA 0.198 51.934 52.037 -0.502 0.000 0.780 304 A CB -0.023 18.609 19.000 -0.614 0.000 0.828 304 A HN 0.456 nan 8.150 nan 0.000 0.476 305 H N -0.478 118.529 119.070 -0.105 0.000 2.336 305 H HA 0.188 4.744 4.556 -0.000 0.000 0.230 305 H C -2.098 173.490 175.328 0.433 0.000 1.426 305 H CA -1.428 54.665 56.048 0.074 0.000 1.359 305 H CB 0.581 30.270 29.762 -0.122 0.000 1.555 305 H HN 0.342 nan 8.280 nan 0.000 0.512 306 P HA -0.030 nan 4.420 nan 0.000 0.221 306 P C 0.839 178.398 177.300 0.431 0.000 1.150 306 P CA 0.571 63.937 63.100 0.444 0.000 0.800 306 P CB 0.671 32.516 31.700 0.241 0.000 0.787 307 A N -0.562 122.472 122.820 0.355 0.000 2.242 307 A HA 0.261 4.581 4.320 -0.000 0.000 0.304 307 A C -0.467 176.947 177.584 -0.283 0.000 1.100 307 A CA -0.496 51.653 52.037 0.186 0.000 0.860 307 A CB -0.314 18.858 19.000 0.286 0.000 1.168 307 A HN 0.031 nan 8.150 nan 0.000 0.503 308 Y N 1.948 121.642 120.300 -1.010 0.000 2.851 308 Y HA 0.195 4.745 4.550 -0.000 0.000 0.369 308 Y C 0.203 175.886 175.900 -0.362 0.000 1.226 308 Y CA -1.134 56.277 58.100 -1.148 0.000 1.949 308 Y CB -0.988 36.540 38.460 -1.555 0.000 2.059 308 Y HN 0.745 nan 8.280 nan 0.000 0.420 309 D N -0.352 119.921 120.400 -0.212 0.000 2.478 309 D HA 0.244 4.884 4.640 -0.000 0.000 0.274 309 D C 1.544 177.692 176.300 -0.252 0.000 1.234 309 D CA 0.046 53.954 54.000 -0.153 0.000 1.069 309 D CB 0.243 41.047 40.800 0.006 0.000 1.113 309 D HN 0.199 nan 8.370 nan 0.000 0.571 310 A N -0.586 122.123 122.820 -0.184 0.000 1.997 310 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 310 A C 1.965 179.397 177.584 -0.253 0.000 1.172 310 A CA 1.726 53.645 52.037 -0.196 0.000 0.645 310 A CB -1.287 17.638 19.000 -0.125 0.000 0.813 310 A HN 0.571 nan 8.150 nan 0.000 0.454 311 F N -1.171 118.453 119.950 -0.543 0.000 2.134 311 F HA -0.165 4.362 4.527 -0.000 0.000 0.299 311 F C 1.900 177.323 175.800 -0.628 0.000 1.097 311 F CA 1.806 59.363 58.000 -0.739 0.000 1.264 311 F CB -0.392 37.806 39.000 -1.336 0.000 1.001 311 F HN 0.422 nan 8.300 nan 0.000 0.479 312 W N 0.236 121.337 121.300 -0.331 0.000 2.481 312 W HA -0.001 4.659 4.660 -0.000 0.000 0.293 312 W C 2.494 178.754 176.519 -0.432 0.000 1.201 312 W CA 0.578 57.722 57.345 -0.334 0.000 1.328 312 W CB -0.707 28.618 29.460 -0.225 0.000 1.112 312 W HN -0.073 nan 8.180 nan 0.000 0.546 313 Q N -0.043 119.466 119.800 -0.485 0.000 2.181 313 Q HA -0.127 4.213 4.340 -0.000 0.000 0.205 313 Q C 2.327 178.227 176.000 -0.167 0.000 0.980 313 Q CA 1.415 56.966 55.803 -0.420 0.000 0.862 313 Q CB -0.687 27.797 28.738 -0.423 0.000 0.905 313 Q HN 0.410 nan 8.270 nan 0.000 0.429 314 G N 0.102 108.789 108.800 -0.189 0.000 2.744 314 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.211 314 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.211 314 G C 0.925 175.777 174.900 -0.081 0.000 1.143 314 G CA 0.056 45.077 45.100 -0.133 0.000 0.788 314 G HN 0.286 nan 8.290 nan 0.000 0.534 315 Q N -0.425 119.345 119.800 -0.049 0.000 2.194 315 Q HA 0.364 4.704 4.340 -0.000 0.000 0.214 315 Q C 0.715 176.824 176.000 0.182 0.000 0.838 315 Q CA -0.363 55.482 55.803 0.070 0.000 0.972 315 Q CB 1.278 30.055 28.738 0.066 0.000 1.131 315 Q HN 0.304 nan 8.270 nan 0.000 0.498 316 A N 1.420 124.337 122.820 0.162 0.000 2.457 316 A HA 0.179 4.499 4.320 -0.000 0.000 0.298 316 A C 0.867 178.564 177.584 0.189 0.000 1.288 316 A CA -0.054 52.111 52.037 0.212 0.000 0.956 316 A CB -0.199 18.939 19.000 0.230 0.000 1.135 316 A HN 0.397 nan 8.150 nan 0.000 0.535 317 L N 1.413 122.765 121.223 0.216 0.000 2.395 317 L HA -0.083 4.257 4.340 -0.000 0.000 0.218 317 L C 1.905 178.883 176.870 0.180 0.000 1.130 317 L CA 0.913 55.870 54.840 0.196 0.000 0.826 317 L CB -0.434 41.761 42.059 0.226 0.000 0.941 317 L HN 0.801 nan 8.230 nan 0.000 0.451 318 D N 0.133 120.646 120.400 0.188 0.000 2.117 318 D HA -0.193 4.447 4.640 -0.000 0.000 0.198 318 D C 1.808 178.179 176.300 0.118 0.000 0.982 318 D CA 1.080 55.162 54.000 0.137 0.000 0.828 318 D CB -0.250 40.645 40.800 0.159 0.000 0.967 318 D HN 0.119 nan 8.370 nan 0.000 0.464 319 K N 0.387 120.870 120.400 0.139 0.000 2.025 319 K HA -0.022 4.298 4.320 -0.000 0.000 0.207 319 K C 2.332 178.988 176.600 0.093 0.000 1.049 319 K CA 0.392 56.747 56.287 0.114 0.000 0.933 319 K CB -0.364 32.211 32.500 0.124 0.000 0.714 319 K HN 0.269 nan 8.250 nan 0.000 0.438 320 I N 1.131 121.760 120.570 0.099 0.000 2.179 320 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 320 I C 2.418 178.590 176.117 0.091 0.000 1.088 320 I CA 0.857 62.209 61.300 0.087 0.000 1.357 320 I CB -0.974 37.080 38.000 0.090 0.000 1.051 320 I HN 0.059 nan 8.210 nan 0.000 0.409 321 L N 1.515 122.804 121.223 0.111 0.000 2.131 321 L HA -0.066 4.274 4.340 -0.000 0.000 0.210 321 L C 2.544 179.474 176.870 0.101 0.000 1.092 321 L CA 1.900 56.814 54.840 0.124 0.000 0.759 321 L CB -0.860 41.306 42.059 0.179 0.000 0.903 321 L HN 0.180 nan 8.230 nan 0.000 0.435 322 A N -1.284 121.583 122.820 0.077 0.000 1.969 322 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 322 A C 2.170 179.784 177.584 0.050 0.000 1.169 322 A CA 1.651 53.718 52.037 0.051 0.000 0.635 322 A CB -0.443 18.577 19.000 0.033 0.000 0.810 322 A HN 0.640 nan 8.150 nan 0.000 0.445 323 Q N -1.020 118.813 119.800 0.055 0.000 2.172 323 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 323 Q C 2.082 178.112 176.000 0.050 0.000 0.964 323 Q CA 0.834 56.666 55.803 0.048 0.000 0.855 323 Q CB -0.054 28.714 28.738 0.049 0.000 0.918 323 Q HN 0.418 nan 8.270 nan 0.000 0.444 324 R N 1.018 121.555 120.500 0.061 0.000 2.153 324 R HA 0.043 4.383 4.340 -0.000 0.000 0.218 324 R C 0.075 176.412 176.300 0.062 0.000 1.072 324 R CA 0.350 56.487 56.100 0.062 0.000 0.990 324 R CB -0.107 30.238 30.300 0.074 0.000 0.889 324 R HN 0.171 nan 8.270 nan 0.000 0.452 325 K N 1.385 121.824 120.400 0.066 0.000 4.405 325 K HA -0.125 4.195 4.320 -0.000 0.000 0.287 325 K C -2.310 174.332 176.600 0.070 0.000 0.905 325 K CA 0.079 56.404 56.287 0.064 0.000 0.867 325 K CB -0.971 31.557 32.500 0.047 0.000 1.652 325 K HN 0.253 nan 8.250 nan 0.000 0.435 326 P HA 0.006 nan 4.420 nan 0.000 0.272 326 P C 0.521 177.861 177.300 0.067 0.000 1.230 326 P CA -0.031 63.117 63.100 0.080 0.000 0.788 326 P CB 0.862 32.622 31.700 0.100 0.000 0.949 327 T N -3.333 111.246 114.554 0.042 0.000 3.132 327 T HA 0.207 4.557 4.350 -0.000 0.000 0.274 327 T C 0.402 175.093 174.700 -0.016 0.000 1.011 327 T CA -0.270 61.845 62.100 0.025 0.000 0.899 327 T CB -0.444 68.436 68.868 0.019 0.000 1.089 327 T HN 0.072 nan 8.240 nan 0.000 0.543 328 V N 3.783 123.683 119.914 -0.023 0.000 2.530 328 V HA 0.327 4.447 4.120 -0.000 0.000 0.282 328 V C -2.225 173.809 176.094 -0.101 0.000 1.048 328 V CA -2.020 60.222 62.300 -0.098 0.000 0.997 328 V CB 0.948 32.723 31.823 -0.080 0.000 0.987 328 V HN 0.258 nan 8.190 nan 0.000 0.477 329 P HA 0.152 nan 4.420 nan 0.000 0.264 329 P C -0.548 176.803 177.300 0.085 0.000 1.193 329 P CA 0.478 63.502 63.100 -0.126 0.000 0.763 329 P CB 0.306 31.614 31.700 -0.653 0.000 0.810 330 M N 3.084 122.826 119.600 0.237 0.000 2.465 330 M HA 0.458 4.938 4.480 -0.000 0.000 0.316 330 M C -0.834 175.499 176.300 0.055 0.000 1.121 330 M CA -0.853 54.505 55.300 0.095 0.000 0.934 330 M CB 2.097 34.676 32.600 -0.035 0.000 1.692 330 M HN 0.078 nan 8.290 nan 0.000 0.444 331 L N 2.869 124.024 121.223 -0.113 0.000 2.388 331 L HA 0.519 4.859 4.340 -0.000 0.000 0.267 331 L C -2.050 174.685 176.870 -0.225 0.000 0.995 331 L CA 0.022 54.743 54.840 -0.200 0.000 0.864 331 L CB 0.739 42.651 42.059 -0.245 0.000 1.216 331 L HN 0.621 nan 8.230 nan 0.000 0.430 332 W N 4.364 125.639 121.300 -0.042 0.000 2.351 332 W HA 0.583 5.243 4.660 -0.000 0.000 0.311 332 W C 0.474 176.909 176.519 -0.141 0.000 1.168 332 W CA -0.132 57.191 57.345 -0.037 0.000 1.200 332 W CB 0.997 30.480 29.460 0.039 0.000 1.221 332 W HN 0.394 nan 8.180 nan 0.000 0.519 333 E N 3.770 124.034 120.200 0.107 0.000 2.314 333 E HA 0.371 4.720 4.350 -0.000 0.000 0.272 333 E C -1.259 175.377 176.600 0.060 0.000 0.884 333 E CA -0.711 55.679 56.400 -0.016 0.000 0.753 333 E CB 2.211 31.812 29.700 -0.165 0.000 1.213 333 E HN 0.682 nan 8.360 nan 0.000 0.432 334 Q N 1.413 121.247 119.800 0.057 0.000 2.578 334 Q HA 0.638 4.978 4.340 -0.000 0.000 0.284 334 Q C -0.772 175.303 176.000 0.126 0.000 0.960 334 Q CA -1.115 54.753 55.803 0.107 0.000 0.809 334 Q CB 0.859 29.652 28.738 0.091 0.000 1.462 334 Q HN 0.475 nan 8.270 nan 0.000 0.392 335 G N 0.922 109.832 108.800 0.184 0.000 2.476 335 G HA2 0.375 4.335 3.960 -0.000 0.000 0.269 335 G HA3 0.375 4.335 3.960 -0.000 0.000 0.269 335 G C 0.306 175.154 174.900 -0.086 0.000 1.195 335 G CA -0.834 44.353 45.100 0.144 0.000 0.843 335 G HN 0.642 nan 8.290 nan 0.000 0.545 336 L N 0.148 121.185 121.223 -0.311 0.000 2.201 336 L HA 0.038 4.378 4.340 -0.000 0.000 0.212 336 L C 1.044 177.573 176.870 -0.569 0.000 1.105 336 L CA 0.685 55.197 54.840 -0.546 0.000 0.775 336 L CB 0.034 41.550 42.059 -0.906 0.000 0.913 336 L HN 0.547 nan 8.230 nan 0.000 0.440 337 W N 0.050 121.285 121.300 -0.107 0.000 2.159 337 W HA 0.205 4.865 4.660 -0.000 0.000 0.375 337 W C -0.009 176.450 176.519 -0.100 0.000 0.794 337 W CA -1.001 56.271 57.345 -0.121 0.000 2.716 337 W CB 0.009 29.387 29.460 -0.136 0.000 1.583 337 W HN -0.067 nan 8.180 nan 0.000 0.702 338 D N 2.480 122.946 120.400 0.111 0.000 2.342 338 D HA -0.054 4.586 4.640 -0.000 0.000 0.260 338 D C 1.522 177.853 176.300 0.052 0.000 1.278 338 D CA 0.610 54.694 54.000 0.139 0.000 0.910 338 D CB 1.072 41.979 40.800 0.178 0.000 1.079 338 D HN 0.147 nan 8.370 nan 0.000 0.496 339 Q N 2.757 122.531 119.800 -0.043 0.000 2.403 339 Q HA -0.011 4.329 4.340 -0.000 0.000 0.203 339 Q C 0.187 176.152 176.000 -0.057 0.000 0.932 339 Q CA 0.755 56.437 55.803 -0.203 0.000 0.945 339 Q CB 0.303 28.691 28.738 -0.582 0.000 1.045 339 Q HN 0.591 nan 8.270 nan 0.000 0.511 340 E N -0.013 120.152 120.200 -0.058 0.000 2.399 340 E HA 0.125 4.475 4.350 -0.000 0.000 0.206 340 E C -0.314 176.208 176.600 -0.131 0.000 0.812 340 E CA 0.117 56.424 56.400 -0.156 0.000 1.138 340 E CB 0.776 30.148 29.700 -0.545 0.000 1.140 340 E HN 0.240 nan 8.360 nan 0.000 0.536 341 D N 0.711 121.095 120.400 -0.026 0.000 2.656 341 D HA 0.106 4.746 4.640 -0.000 0.000 0.303 341 D C 0.223 176.626 176.300 0.171 0.000 1.199 341 D CA -0.001 54.050 54.000 0.085 0.000 0.797 341 D CB 1.147 42.038 40.800 0.150 0.000 1.170 341 D HN 0.022 nan 8.370 nan 0.000 0.509 342 M N 0.122 119.822 119.600 0.167 0.000 2.419 342 M HA 0.033 4.513 4.480 -0.000 0.000 0.264 342 M C 1.544 177.962 176.300 0.198 0.000 1.082 342 M CA 1.105 56.505 55.300 0.166 0.000 1.119 342 M CB 0.125 32.832 32.600 0.179 0.000 1.398 342 M HN 0.397 nan 8.290 nan 0.000 0.453 343 W N 0.202 121.494 121.300 -0.015 0.000 2.480 343 W HA 0.067 4.727 4.660 -0.000 0.000 0.299 343 W C 1.692 178.301 176.519 0.149 0.000 1.187 343 W CA 1.492 58.844 57.345 0.013 0.000 1.347 343 W CB -0.906 28.415 29.460 -0.231 0.000 1.121 343 W HN 0.300 nan 8.180 nan 0.000 0.533 344 G N 1.588 110.599 108.800 0.351 0.000 2.875 344 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.220 344 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.220 344 G C 1.660 176.659 174.900 0.165 0.000 1.293 344 G CA 2.727 47.998 45.100 0.285 0.000 0.789 344 G HN 0.387 nan 8.290 nan 0.000 0.677 345 A N 0.181 123.113 122.820 0.187 0.000 1.892 345 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 345 A C 2.514 180.082 177.584 -0.028 0.000 1.188 345 A CA 1.969 54.107 52.037 0.168 0.000 0.631 345 A CB -0.495 18.651 19.000 0.243 0.000 0.822 345 A HN 0.598 nan 8.150 nan 0.000 0.447 346 I N -1.711 118.840 120.570 -0.032 0.000 2.315 346 I HA -0.238 3.931 4.170 -0.000 0.000 0.248 346 I C 2.268 178.299 176.117 -0.143 0.000 1.117 346 I CA 1.748 63.006 61.300 -0.071 0.000 1.404 346 I CB -0.122 37.800 38.000 -0.130 0.000 1.071 346 I HN 0.480 nan 8.210 nan 0.000 0.419 347 H N 0.263 119.180 119.070 -0.255 0.000 2.428 347 H HA 0.043 4.599 4.556 -0.000 0.000 0.296 347 H C 2.206 177.396 175.328 -0.229 0.000 1.062 347 H CA 1.354 57.219 56.048 -0.305 0.000 1.350 347 H CB -0.120 29.294 29.762 -0.579 0.000 1.403 347 H HN 0.430 nan 8.280 nan 0.000 0.533 348 A N 0.219 122.904 122.820 -0.224 0.000 1.897 348 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 348 A C 2.100 179.285 177.584 -0.664 0.000 1.181 348 A CA 1.273 53.019 52.037 -0.485 0.000 0.620 348 A CB -1.099 17.352 19.000 -0.915 0.000 0.821 348 A HN 0.670 nan 8.150 nan 0.000 0.443 349 W N 0.737 121.442 121.300 -0.993 0.000 2.358 349 W HA -0.229 4.431 4.660 -0.000 0.000 0.303 349 W C 2.165 178.498 176.519 -0.309 0.000 1.208 349 W CA 2.181 59.088 57.345 -0.730 0.000 1.274 349 W CB -0.189 28.960 29.460 -0.519 0.000 1.138 349 W HN 0.401 nan 8.180 nan 0.000 0.515 350 Q N 0.763 120.367 119.800 -0.327 0.000 2.123 350 Q HA -0.053 4.287 4.340 -0.000 0.000 0.199 350 Q C 2.220 177.996 176.000 -0.373 0.000 0.966 350 Q CA 2.441 57.944 55.803 -0.500 0.000 0.845 350 Q CB -0.788 27.809 28.738 -0.235 0.000 0.907 350 Q HN 0.268 nan 8.270 nan 0.000 0.439 351 A N 0.141 122.819 122.820 -0.236 0.000 1.902 351 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 351 A C 2.070 179.565 177.584 -0.148 0.000 1.181 351 A CA 1.329 53.285 52.037 -0.135 0.000 0.623 351 A CB -0.707 18.259 19.000 -0.056 0.000 0.818 351 A HN 0.449 nan 8.150 nan 0.000 0.443 352 L N -0.737 120.370 121.223 -0.193 0.000 2.056 352 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 352 L C 2.640 179.402 176.870 -0.180 0.000 1.078 352 L CA 1.827 56.591 54.840 -0.126 0.000 0.749 352 L CB -0.405 41.623 42.059 -0.053 0.000 0.901 352 L HN 0.443 nan 8.230 nan 0.000 0.433 353 K N 0.088 120.272 120.400 -0.361 0.000 2.057 353 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 353 K C 1.542 178.003 176.600 -0.230 0.000 1.049 353 K CA 1.760 57.822 56.287 -0.374 0.000 0.931 353 K CB 0.027 32.101 32.500 -0.710 0.000 0.714 353 K HN 0.252 nan 8.250 nan 0.000 0.440 354 D N -0.036 120.236 120.400 -0.214 0.000 2.224 354 D HA -0.071 4.569 4.640 -0.000 0.000 0.205 354 D C 1.167 177.421 176.300 -0.076 0.000 0.965 354 D CA 0.901 54.824 54.000 -0.129 0.000 0.852 354 D CB 0.122 40.855 40.800 -0.111 0.000 0.947 354 D HN 0.304 nan 8.370 nan 0.000 0.494 355 A N 0.365 123.144 122.820 -0.069 0.000 2.302 355 A HA -0.008 4.312 4.320 -0.000 0.000 0.219 355 A C 0.377 177.948 177.584 -0.022 0.000 1.243 355 A CA -0.021 51.998 52.037 -0.030 0.000 0.856 355 A CB -0.044 18.948 19.000 -0.013 0.000 0.893 355 A HN 0.022 nan 8.150 nan 0.000 0.491 356 D N -0.125 120.252 120.400 -0.038 0.000 2.803 356 D HA -0.147 4.493 4.640 -0.000 0.000 0.233 356 D C 0.023 176.324 176.300 0.001 0.000 1.182 356 D CA 0.878 54.866 54.000 -0.021 0.000 0.726 356 D CB -1.179 39.616 40.800 -0.008 0.000 0.987 356 D HN 0.358 nan 8.370 nan 0.000 0.412 357 V N 2.080 121.995 119.914 0.002 0.000 2.763 357 V HA -0.036 4.084 4.120 -0.000 0.000 0.306 357 V C 0.784 176.907 176.094 0.048 0.000 1.059 357 V CA 0.412 62.732 62.300 0.034 0.000 1.138 357 V CB 1.014 32.870 31.823 0.055 0.000 0.940 357 V HN 0.141 nan 8.190 nan 0.000 0.489 358 K N 6.019 126.451 120.400 0.053 0.000 2.559 358 K HA 0.665 4.985 4.320 -0.000 0.000 0.236 358 K C -0.326 176.313 176.600 0.065 0.000 1.185 358 K CA 0.315 56.636 56.287 0.056 0.000 1.157 358 K CB 0.422 32.950 32.500 0.046 0.000 1.782 358 K HN 0.854 nan 8.250 nan 0.000 0.419 359 A N 1.312 124.184 122.820 0.086 0.000 2.590 359 A HA 0.475 4.795 4.320 -0.000 0.000 0.294 359 A C -2.975 174.699 177.584 0.150 0.000 1.046 359 A CA -1.212 50.882 52.037 0.095 0.000 0.684 359 A CB 0.763 19.802 19.000 0.064 0.000 1.279 359 A HN 0.098 nan 8.150 nan 0.000 0.415 360 P HA 0.214 nan 4.420 nan 0.000 0.261 360 P C -0.686 176.789 177.300 0.293 0.000 1.173 360 P CA 0.750 64.017 63.100 0.279 0.000 0.760 360 P CB 0.209 32.162 31.700 0.421 0.000 0.783 361 N N 1.498 120.386 118.700 0.312 0.000 2.653 361 N HA 0.213 4.953 4.740 -0.000 0.000 0.261 361 N C -1.555 174.286 175.510 0.552 0.000 1.216 361 N CA -0.290 53.014 53.050 0.424 0.000 0.784 361 N CB 0.680 39.364 38.487 0.328 0.000 1.327 361 N HN 0.059 nan 8.380 nan 0.000 0.539 362 T N 2.140 116.935 114.554 0.401 0.000 2.855 362 T HA 0.492 4.842 4.350 -0.000 0.000 0.281 362 T C -0.845 173.850 174.700 -0.008 0.000 1.007 362 T CA -0.432 61.796 62.100 0.213 0.000 1.009 362 T CB 1.256 70.111 68.868 -0.022 0.000 0.983 362 T HN 0.337 nan 8.240 nan 0.000 0.455 363 L N 4.055 124.994 121.223 -0.475 0.000 2.307 363 L HA 0.758 5.098 4.340 -0.000 0.000 0.284 363 L C -1.199 175.362 176.870 -0.516 0.000 1.023 363 L CA -0.425 53.971 54.840 -0.739 0.000 0.810 363 L CB 1.272 42.335 42.059 -1.659 0.000 1.231 363 L HN 0.431 nan 8.230 nan 0.000 0.423 364 V N 6.394 126.088 119.914 -0.368 0.000 2.483 364 V HA 0.543 4.663 4.120 -0.000 0.000 0.297 364 V C -0.254 175.664 176.094 -0.293 0.000 1.027 364 V CA -0.437 61.659 62.300 -0.340 0.000 0.855 364 V CB 1.597 33.211 31.823 -0.350 0.000 0.995 364 V HN 0.783 nan 8.190 nan 0.000 0.424 365 M N 3.958 123.365 119.600 -0.322 0.000 2.204 365 M HA 0.646 5.126 4.480 -0.000 0.000 0.293 365 M C 0.234 176.192 176.300 -0.571 0.000 0.994 365 M CA -0.216 54.861 55.300 -0.372 0.000 0.925 365 M CB 2.219 34.578 32.600 -0.400 0.000 1.577 365 M HN 0.761 nan 8.290 nan 0.000 0.439 366 G N 2.209 110.313 108.800 -1.160 0.000 2.597 366 G HA2 0.753 4.713 3.960 -0.000 0.000 0.317 366 G HA3 0.753 4.713 3.960 -0.000 0.000 0.317 366 G C -2.832 171.004 174.900 -1.773 0.000 1.230 366 G CA -1.407 42.408 45.100 -2.142 0.000 0.996 366 G HN 0.416 nan 8.290 nan 0.000 0.490 367 P HA 0.185 nan 4.420 nan 0.000 0.225 367 P C -1.006 175.904 177.300 -0.649 0.000 1.813 367 P CA -0.060 62.324 63.100 -1.192 0.000 1.013 367 P CB -0.102 30.385 31.700 -2.021 0.000 1.961 368 W N 2.194 123.443 121.300 -0.086 0.000 2.992 368 W HA 0.409 5.069 4.660 -0.000 0.000 0.342 368 W C 0.606 177.194 176.519 0.115 0.000 1.176 368 W CA -0.725 56.635 57.345 0.025 0.000 1.118 368 W CB 0.862 30.305 29.460 -0.029 0.000 1.457 368 W HN 0.055 nan 8.180 nan 0.000 0.573 369 R N -0.220 120.492 120.500 0.353 0.000 2.524 369 R HA 0.383 4.723 4.340 -0.000 0.000 0.236 369 R C -0.220 176.222 176.300 0.237 0.000 1.240 369 R CA -0.686 55.548 56.100 0.224 0.000 1.111 369 R CB -0.493 29.876 30.300 0.114 0.000 1.436 369 R HN 0.349 nan 8.270 nan 0.000 0.573 370 H N -0.100 119.030 119.070 0.101 0.000 3.046 370 H HA 0.089 4.645 4.556 -0.000 0.000 0.303 370 H C -0.285 175.129 175.328 0.143 0.000 1.002 370 H CA 1.492 57.613 56.048 0.121 0.000 1.460 370 H CB 0.089 29.919 29.762 0.113 0.000 1.493 370 H HN 0.690 nan 8.280 nan 0.000 0.559 371 S N 1.963 117.469 115.700 -0.324 0.000 3.261 371 S HA -0.235 4.235 4.470 -0.000 0.000 0.287 371 S C 1.830 176.434 174.600 0.007 0.000 1.281 371 S CA 0.881 58.960 58.200 -0.202 0.000 1.053 371 S CB -1.636 61.459 63.200 -0.174 0.000 1.251 371 S HN 1.021 nan 8.310 nan 0.000 0.659 372 G N 0.407 109.212 108.800 0.008 0.000 2.470 372 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.220 372 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.220 372 G C 1.189 175.842 174.900 -0.412 0.000 1.121 372 G CA 0.935 46.034 45.100 -0.001 0.000 0.766 372 G HN 0.717 nan 8.290 nan 0.000 0.553 373 V N 0.905 120.383 119.914 -0.726 0.000 2.867 373 V HA -0.052 4.068 4.120 -0.000 0.000 0.260 373 V C 1.590 177.396 176.094 -0.481 0.000 1.099 373 V CA 1.549 63.211 62.300 -1.064 0.000 1.122 373 V CB -0.341 30.903 31.823 -0.965 0.000 0.708 373 V HN 0.311 nan 8.190 nan 0.000 0.490 374 N N -1.229 117.248 118.700 -0.372 0.000 2.270 374 N HA 0.159 4.899 4.740 -0.000 0.000 0.198 374 N C -0.166 174.884 175.510 -0.766 0.000 1.117 374 N CA 0.283 53.034 53.050 -0.498 0.000 0.845 374 N CB 0.332 38.485 38.487 -0.557 0.000 0.980 374 N HN 0.624 nan 8.380 nan 0.000 0.486 375 Y N -0.621 119.617 120.300 -0.104 0.000 3.345 375 Y HA 0.311 4.861 4.550 -0.000 0.000 0.279 375 Y C 0.493 176.379 175.900 -0.024 0.000 1.980 375 Y CA -1.130 56.942 58.100 -0.046 0.000 0.912 375 Y CB 0.138 38.580 38.460 -0.031 0.000 1.460 375 Y HN -0.244 nan 8.280 nan 0.000 0.605 376 N N 0.546 119.372 118.700 0.211 0.000 2.422 376 N HA 0.230 4.970 4.740 -0.000 0.000 0.266 376 N C -0.254 175.368 175.510 0.187 0.000 1.007 376 N CA 0.082 53.224 53.050 0.155 0.000 0.941 376 N CB 1.481 40.041 38.487 0.121 0.000 1.115 376 N HN 0.849 nan 8.380 nan 0.000 0.492 377 G N 1.734 110.677 108.800 0.239 0.000 3.959 377 G HA2 0.072 4.032 3.960 -0.000 0.000 0.298 377 G HA3 0.072 4.032 3.960 -0.000 0.000 0.298 377 G C 0.601 175.728 174.900 0.378 0.000 1.211 377 G CA -0.297 45.032 45.100 0.382 0.000 1.001 377 G HN 0.540 nan 8.290 nan 0.000 0.561 378 S N -0.114 115.754 115.700 0.281 0.000 2.478 378 S HA 0.113 4.583 4.470 -0.000 0.000 0.222 378 S C 1.358 176.062 174.600 0.174 0.000 1.008 378 S CA 0.865 59.204 58.200 0.232 0.000 0.928 378 S CB 0.285 63.562 63.200 0.128 0.000 0.781 378 S HN 0.718 nan 8.310 nan 0.000 0.518 379 T N -0.846 113.806 114.554 0.163 0.000 2.787 379 T HA 0.720 5.070 4.350 -0.000 0.000 0.297 379 T C -1.743 173.010 174.700 0.088 0.000 1.221 379 T CA -0.808 61.245 62.100 -0.078 0.000 1.006 379 T CB 1.837 70.642 68.868 -0.104 0.000 1.328 379 T HN -0.038 nan 8.240 nan 0.000 0.509 380 L N 0.858 122.031 121.223 -0.084 0.000 2.830 380 L HA 0.603 4.943 4.340 -0.000 0.000 0.259 380 L C 0.513 177.278 176.870 -0.176 0.000 0.943 380 L CA 1.519 56.352 54.840 -0.011 0.000 0.997 380 L CB 0.879 43.026 42.059 0.147 0.000 1.427 380 L HN 1.692 nan 8.230 nan 0.000 0.456 381 G N 5.617 114.340 108.800 -0.128 0.000 2.583 381 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.292 381 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.292 381 G C -1.729 173.075 174.900 -0.161 0.000 1.203 381 G CA 0.205 45.225 45.100 -0.133 0.000 0.987 381 G HN 0.619 nan 8.290 nan 0.000 0.554 382 P HA 0.246 nan 4.420 nan 0.000 0.245 382 P C 0.864 177.974 177.300 -0.315 0.000 1.206 382 P CA 0.319 63.290 63.100 -0.214 0.000 0.781 382 P CB 0.020 31.598 31.700 -0.204 0.000 0.994 383 L N 0.419 121.400 121.223 -0.404 0.000 2.417 383 L HA 0.258 4.598 4.340 -0.000 0.000 0.268 383 L C 0.630 177.070 176.870 -0.717 0.000 1.158 383 L CA -0.098 54.409 54.840 -0.555 0.000 0.819 383 L CB 0.339 42.024 42.059 -0.622 0.000 1.112 383 L HN -0.127 nan 8.230 nan 0.000 0.458 384 E N 1.548 121.318 120.200 -0.717 0.000 2.234 384 E HA 0.532 4.882 4.350 -0.000 0.000 0.266 384 E C -1.379 174.848 176.600 -0.622 0.000 0.877 384 E CA -0.541 55.503 56.400 -0.592 0.000 0.758 384 E CB 2.100 31.638 29.700 -0.269 0.000 1.170 384 E HN 0.200 nan 8.360 nan 0.000 0.415 385 F N 0.344 120.286 119.950 -0.013 0.000 2.611 385 F HA 0.309 4.836 4.527 -0.000 0.000 0.374 385 F C 0.815 176.644 175.800 0.048 0.000 1.110 385 F CA -1.077 56.926 58.000 0.006 0.000 1.090 385 F CB 0.715 39.623 39.000 -0.154 0.000 1.388 385 F HN 0.198 nan 8.300 nan 0.000 0.501 386 E N 1.649 122.048 120.200 0.331 0.000 1.861 386 E HA 0.412 4.762 4.350 -0.000 0.000 0.263 386 E C 0.434 177.164 176.600 0.217 0.000 1.137 386 E CA 0.100 56.636 56.400 0.227 0.000 0.944 386 E CB -0.003 29.824 29.700 0.213 0.000 1.092 386 E HN 0.772 nan 8.360 nan 0.000 0.420 387 G N 3.071 111.980 108.800 0.181 0.000 2.795 387 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.664 387 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.664 387 G C -0.368 174.662 174.900 0.216 0.000 1.381 387 G CA -0.607 44.601 45.100 0.181 0.000 0.853 387 G HN 0.485 nan 8.290 nan 0.000 0.545 388 D N 0.833 121.363 120.400 0.217 0.000 2.385 388 D HA 0.299 4.939 4.640 -0.000 0.000 0.260 388 D C 2.174 178.677 176.300 0.338 0.000 1.326 388 D CA 0.822 54.972 54.000 0.250 0.000 1.023 388 D CB -0.072 40.854 40.800 0.210 0.000 1.083 388 D HN 0.746 nan 8.370 nan 0.000 0.517 389 T N 0.789 115.561 114.554 0.365 0.000 2.881 389 T HA -0.125 4.224 4.350 -0.000 0.000 0.270 389 T C 1.803 176.953 174.700 0.750 0.000 1.068 389 T CA 0.917 63.324 62.100 0.513 0.000 1.131 389 T CB -0.034 68.903 68.868 0.114 0.000 0.871 389 T HN 0.272 nan 8.240 nan 0.000 0.479 390 A N 1.499 124.665 122.820 0.577 0.000 1.872 390 A HA -0.040 4.280 4.320 -0.000 0.000 0.214 390 A C 2.214 179.950 177.584 0.253 0.000 1.187 390 A CA 1.781 53.973 52.037 0.258 0.000 0.614 390 A CB -1.226 17.714 19.000 -0.101 0.000 0.826 390 A HN 0.681 nan 8.150 nan 0.000 0.442 391 H N -0.138 119.019 119.070 0.144 0.000 2.352 391 H HA -0.129 4.427 4.556 -0.000 0.000 0.299 391 H C 2.109 177.489 175.328 0.085 0.000 1.097 391 H CA 2.243 58.336 56.048 0.074 0.000 1.311 391 H CB -0.223 29.573 29.762 0.057 0.000 1.377 391 H HN 0.587 nan 8.280 nan 0.000 0.504 392 Q N -1.058 118.817 119.800 0.125 0.000 2.061 392 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 392 Q C 2.068 178.038 176.000 -0.049 0.000 0.984 392 Q CA 1.957 57.796 55.803 0.059 0.000 0.846 392 Q CB -0.384 28.535 28.738 0.301 0.000 0.902 392 Q HN 0.682 nan 8.270 nan 0.000 0.421 393 Y N 1.081 121.352 120.300 -0.048 0.000 2.145 393 Y HA -0.204 4.346 4.550 -0.000 0.000 0.286 393 Y C 2.144 177.973 175.900 -0.117 0.000 1.145 393 Y CA 1.457 59.463 58.100 -0.157 0.000 1.148 393 Y CB 0.041 38.520 38.460 0.031 0.000 0.981 393 Y HN -0.088 nan 8.280 nan 0.000 0.507 394 R N 0.019 120.336 120.500 -0.306 0.000 2.105 394 R HA -0.191 4.149 4.340 -0.000 0.000 0.239 394 R C 2.514 178.508 176.300 -0.510 0.000 1.135 394 R CA 1.827 57.685 56.100 -0.404 0.000 0.967 394 R CB -0.369 29.801 30.300 -0.217 0.000 0.861 394 R HN 0.394 nan 8.270 nan 0.000 0.442 395 R N 0.527 120.731 120.500 -0.494 0.000 2.066 395 R HA -0.076 4.264 4.340 -0.000 0.000 0.224 395 R C 0.972 177.085 176.300 -0.312 0.000 1.122 395 R CA 1.472 57.303 56.100 -0.448 0.000 0.974 395 R CB 0.195 30.183 30.300 -0.520 0.000 0.871 395 R HN 0.093 nan 8.270 nan 0.000 0.435 396 D N -0.502 119.737 120.400 -0.268 0.000 2.305 396 D HA -0.010 4.629 4.640 -0.000 0.000 0.206 396 D C 1.545 177.753 176.300 -0.153 0.000 0.974 396 D CA 0.677 54.571 54.000 -0.177 0.000 0.871 396 D CB 0.669 41.385 40.800 -0.141 0.000 0.947 396 D HN 0.114 nan 8.370 nan 0.000 0.516 397 V N -0.012 119.756 119.914 -0.244 0.000 3.054 397 V HA 0.001 4.121 4.120 -0.000 0.000 0.227 397 V C 1.761 177.779 176.094 -0.127 0.000 1.252 397 V CA -0.112 62.080 62.300 -0.180 0.000 1.279 397 V CB -0.148 31.553 31.823 -0.203 0.000 1.118 397 V HN -0.038 nan 8.190 nan 0.000 0.504 398 F N 2.420 121.982 119.950 -0.647 0.000 2.069 398 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 398 F C 2.576 178.238 175.800 -0.230 0.000 1.113 398 F CA 2.588 60.281 58.000 -0.511 0.000 1.214 398 F CB -0.574 37.917 39.000 -0.847 0.000 0.978 398 F HN 0.106 nan 8.300 nan 0.000 0.474 399 R N 0.739 121.043 120.500 -0.326 0.000 2.070 399 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 399 R C -0.822 175.455 176.300 -0.039 0.000 1.138 399 R CA 1.943 57.772 56.100 -0.451 0.000 0.936 399 R CB -1.922 27.985 30.300 -0.656 0.000 0.839 399 R HN 0.171 nan 8.270 nan 0.000 0.429 400 P HA -0.113 nan 4.420 nan 0.000 0.218 400 P C 0.978 178.389 177.300 0.184 0.000 1.148 400 P CA 1.172 64.310 63.100 0.063 0.000 0.822 400 P CB -0.207 31.510 31.700 0.028 0.000 0.784 401 F N -1.376 118.672 119.950 0.163 0.000 2.146 401 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 401 F C 1.937 178.011 175.800 0.457 0.000 1.096 401 F CA 1.239 59.412 58.000 0.288 0.000 1.275 401 F CB -0.392 38.815 39.000 0.344 0.000 1.008 401 F HN -0.242 nan 8.300 nan 0.000 0.480 402 F N 1.133 121.256 119.950 0.287 0.000 2.186 402 F HA -0.146 4.381 4.527 -0.000 0.000 0.299 402 F C 2.198 178.112 175.800 0.189 0.000 1.090 402 F CA 1.418 59.568 58.000 0.251 0.000 1.307 402 F CB -0.977 38.256 39.000 0.389 0.000 1.019 402 F HN -0.037 nan 8.300 nan 0.000 0.489 403 D N -0.220 120.372 120.400 0.321 0.000 2.178 403 D HA -0.184 4.456 4.640 -0.000 0.000 0.201 403 D C 2.173 178.456 176.300 -0.029 0.000 0.980 403 D CA 1.012 55.115 54.000 0.171 0.000 0.842 403 D CB -0.345 40.530 40.800 0.124 0.000 0.948 403 D HN 0.405 nan 8.370 nan 0.000 0.472 404 E N -0.693 119.409 120.200 -0.163 0.000 2.110 404 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 404 E C 1.117 177.378 176.600 -0.565 0.000 0.988 404 E CA 0.972 57.111 56.400 -0.435 0.000 0.804 404 E CB 0.006 29.287 29.700 -0.699 0.000 0.745 404 E HN 0.424 nan 8.360 nan 0.000 0.458 405 Y N -0.823 119.359 120.300 -0.195 0.000 2.481 405 Y HA 0.196 4.746 4.550 -0.000 0.000 0.258 405 Y C 1.704 177.500 175.900 -0.173 0.000 1.103 405 Y CA -0.038 57.934 58.100 -0.212 0.000 1.287 405 Y CB 0.567 38.835 38.460 -0.321 0.000 1.108 405 Y HN -0.001 nan 8.280 nan 0.000 0.529 406 L N -0.651 120.563 121.223 -0.015 0.000 2.537 406 L HA 0.162 4.502 4.340 -0.000 0.000 0.224 406 L C 0.251 177.063 176.870 -0.097 0.000 1.065 406 L CA 0.511 55.321 54.840 -0.050 0.000 0.860 406 L CB 0.276 42.336 42.059 0.001 0.000 1.086 406 L HN -0.147 nan 8.230 nan 0.000 0.482 407 K N 1.310 121.663 120.400 -0.080 0.000 2.484 407 K HA 0.312 4.632 4.320 -0.000 0.000 0.226 407 K C -2.436 174.111 176.600 -0.088 0.000 1.031 407 K CA -1.862 54.367 56.287 -0.097 0.000 1.026 407 K CB 1.128 33.582 32.500 -0.077 0.000 1.412 407 K HN -0.199 nan 8.250 nan 0.000 0.492 408 P HA -0.124 nan 4.420 nan 0.000 0.261 408 P C 0.780 178.037 177.300 -0.072 0.000 1.173 408 P CA 1.203 64.255 63.100 -0.079 0.000 0.760 408 P CB 0.596 32.256 31.700 -0.068 0.000 0.783 409 G N 1.451 110.208 108.800 -0.073 0.000 2.176 409 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.232 409 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.232 409 G C 0.357 175.220 174.900 -0.062 0.000 0.986 409 G CA -0.121 44.943 45.100 -0.060 0.000 0.643 409 G HN 0.575 nan 8.290 nan 0.000 0.522 410 S N 0.833 116.487 115.700 -0.078 0.000 2.584 410 S HA 0.676 5.146 4.470 -0.000 0.000 0.273 410 S C 0.890 175.435 174.600 -0.091 0.000 1.311 410 S CA 0.197 58.353 58.200 -0.074 0.000 1.034 410 S CB 1.462 64.619 63.200 -0.073 0.000 0.939 410 S HN 1.588 nan 8.310 nan 0.000 0.513 411 A N 2.835 125.614 122.820 -0.068 0.000 2.531 411 A HA 0.325 4.645 4.320 -0.000 0.000 0.236 411 A C 0.593 178.115 177.584 -0.103 0.000 1.062 411 A CA -0.105 51.894 52.037 -0.063 0.000 0.760 411 A CB -0.041 18.937 19.000 -0.036 0.000 0.995 411 A HN 0.679 nan 8.150 nan 0.000 0.501 412 S N -0.301 115.333 115.700 -0.111 0.000 2.584 412 S HA 0.478 4.948 4.470 -0.000 0.000 0.273 412 S C 0.129 174.620 174.600 -0.181 0.000 1.311 412 S CA -0.099 57.980 58.200 -0.201 0.000 1.034 412 S CB 1.032 64.105 63.200 -0.212 0.000 0.939 412 S HN 1.374 nan 8.310 nan 0.000 0.513 413 V N 1.107 120.886 119.914 -0.225 0.000 2.680 413 V HA 0.573 4.693 4.120 -0.000 0.000 0.309 413 V C -0.891 175.090 176.094 -0.189 0.000 1.052 413 V CA -0.711 61.538 62.300 -0.084 0.000 0.908 413 V CB 1.587 33.462 31.823 0.086 0.000 1.001 413 V HN 0.906 nan 8.190 nan 0.000 0.431 414 H N 5.183 124.330 119.070 0.130 0.000 2.632 414 H HA 0.480 5.036 4.556 -0.000 0.000 0.258 414 H C -0.568 174.854 175.328 0.157 0.000 1.278 414 H CA -0.310 55.824 56.048 0.144 0.000 1.352 414 H CB 1.374 31.196 29.762 0.100 0.000 1.418 414 H HN 0.583 nan 8.280 nan 0.000 0.513 415 L N 4.598 125.972 121.223 0.251 0.000 2.397 415 L HA 0.232 4.572 4.340 -0.000 0.000 0.271 415 L C -1.425 175.568 176.870 0.205 0.000 1.148 415 L CA -1.613 53.349 54.840 0.202 0.000 0.825 415 L CB 0.535 42.658 42.059 0.107 0.000 1.117 415 L HN 0.336 nan 8.230 nan 0.000 0.456 416 P HA 0.140 nan 4.420 nan 0.000 0.297 416 P C -0.131 177.289 177.300 0.199 0.000 1.303 416 P CA -0.450 62.771 63.100 0.200 0.000 0.753 416 P CB 0.906 32.731 31.700 0.208 0.000 1.281 417 D N -0.984 119.573 120.400 0.261 0.000 2.123 417 D HA 0.042 4.682 4.640 -0.000 0.000 0.196 417 D C 0.562 177.012 176.300 0.251 0.000 0.992 417 D CA 1.519 55.752 54.000 0.388 0.000 0.833 417 D CB -0.188 40.913 40.800 0.501 0.000 0.954 417 D HN 0.528 nan 8.370 nan 0.000 0.455 418 A N -0.742 122.114 122.820 0.060 0.000 2.589 418 A HA 0.640 4.960 4.320 -0.000 0.000 0.296 418 A C -1.417 175.986 177.584 -0.301 0.000 1.062 418 A CA -0.602 51.273 52.037 -0.269 0.000 0.686 418 A CB 1.233 19.895 19.000 -0.563 0.000 1.282 418 A HN 0.018 nan 8.150 nan 0.000 0.404 419 I N 2.332 122.642 120.570 -0.433 0.000 2.448 419 I HA 0.434 4.604 4.170 -0.000 0.000 0.281 419 I C -1.093 174.823 176.117 -0.336 0.000 1.027 419 I CA -0.048 60.936 61.300 -0.528 0.000 1.111 419 I CB 1.235 38.833 38.000 -0.669 0.000 1.236 419 I HN 0.472 nan 8.210 nan 0.000 0.452 420 I N 5.764 126.163 120.570 -0.284 0.000 2.499 420 I HA 0.272 4.442 4.170 -0.000 0.000 0.288 420 I C -0.682 175.303 176.117 -0.221 0.000 1.048 420 I CA -0.941 60.204 61.300 -0.258 0.000 1.062 420 I CB 2.048 39.801 38.000 -0.411 0.000 1.238 420 I HN 0.405 nan 8.210 nan 0.000 0.426 421 Y N 6.313 126.262 120.300 -0.584 0.000 2.497 421 Y HA 0.062 4.612 4.550 -0.000 0.000 0.334 421 Y C 0.497 176.064 175.900 -0.555 0.000 1.199 421 Y CA 0.444 57.998 58.100 -0.911 0.000 1.425 421 Y CB 0.534 38.110 38.460 -1.473 0.000 1.291 421 Y HN 0.514 nan 8.280 nan 0.000 0.562 422 N N 3.530 121.689 118.700 -0.903 0.000 2.457 422 N HA 0.032 4.772 4.740 -0.000 0.000 0.250 422 N C 0.382 175.623 175.510 -0.447 0.000 0.982 422 N CA 0.275 53.012 53.050 -0.522 0.000 0.941 422 N CB 1.183 39.417 38.487 -0.421 0.000 1.120 422 N HN 0.878 nan 8.380 nan 0.000 0.505 423 T N -0.183 114.297 114.554 -0.123 0.000 3.163 423 T HA 0.054 4.404 4.350 -0.000 0.000 0.260 423 T C 1.407 176.158 174.700 0.086 0.000 1.156 423 T CA 0.683 62.875 62.100 0.153 0.000 1.072 423 T CB 0.171 69.206 68.868 0.278 0.000 0.937 423 T HN 0.435 nan 8.240 nan 0.000 0.528 424 G N 1.055 109.705 108.800 -0.250 0.000 2.662 424 G HA2 0.071 4.031 3.960 -0.000 0.000 0.207 424 G HA3 0.071 4.031 3.960 -0.000 0.000 0.207 424 G C 1.133 175.873 174.900 -0.267 0.000 1.154 424 G CA 0.049 44.878 45.100 -0.452 0.000 0.837 424 G HN 0.384 nan 8.290 nan 0.000 0.580 425 D N 0.628 120.871 120.400 -0.261 0.000 2.347 425 D HA 0.063 4.703 4.640 -0.000 0.000 0.215 425 D C 0.512 176.684 176.300 -0.214 0.000 0.976 425 D CA 0.337 54.212 54.000 -0.208 0.000 0.884 425 D CB 0.140 40.818 40.800 -0.204 0.000 0.915 425 D HN 0.107 nan 8.370 nan 0.000 0.526 426 Q N -0.355 119.270 119.800 -0.292 0.000 2.459 426 Q HA -0.215 4.125 4.340 -0.000 0.000 0.322 426 Q C -0.418 175.327 176.000 -0.425 0.000 1.427 426 Q CA 0.872 56.506 55.803 -0.281 0.000 0.861 426 Q CB -1.975 26.762 28.738 -0.001 0.000 1.137 426 Q HN 0.585 nan 8.270 nan 0.000 0.394 427 K N -2.615 117.286 120.400 -0.832 0.000 2.607 427 K HA 0.614 4.934 4.320 -0.000 0.000 0.287 427 K C -1.252 174.920 176.600 -0.713 0.000 0.996 427 K CA -1.036 54.927 56.287 -0.540 0.000 0.876 427 K CB 0.720 33.089 32.500 -0.218 0.000 1.496 427 K HN -0.023 nan 8.250 nan 0.000 0.415 428 W N 1.562 122.725 121.300 -0.229 0.000 2.272 428 W HA 0.286 4.946 4.660 -0.000 0.000 0.318 428 W C -0.507 175.899 176.519 -0.189 0.000 1.255 428 W CA 0.260 57.499 57.345 -0.176 0.000 1.200 428 W CB 0.965 30.430 29.460 0.008 0.000 1.170 428 W HN 0.377 nan 8.180 nan 0.000 0.549 429 D N 2.241 122.587 120.400 -0.090 0.000 2.278 429 D HA 0.199 4.839 4.640 -0.000 0.000 0.245 429 D C -1.282 174.742 176.300 -0.459 0.000 1.052 429 D CA -0.614 53.176 54.000 -0.350 0.000 0.834 429 D CB 1.152 41.524 40.800 -0.714 0.000 1.194 429 D HN 0.242 nan 8.370 nan 0.000 0.481 430 Y N 1.536 121.577 120.300 -0.433 0.000 2.417 430 Y HA 0.264 4.814 4.550 -0.000 0.000 0.336 430 Y C -0.371 175.360 175.900 -0.282 0.000 0.961 430 Y CA -0.799 57.135 58.100 -0.277 0.000 1.215 430 Y CB 0.808 39.194 38.460 -0.124 0.000 1.120 430 Y HN 0.275 nan 8.280 nan 0.000 0.499 431 Y N 3.480 123.819 120.300 0.066 0.000 2.417 431 Y HA 0.274 4.824 4.550 -0.000 0.000 0.336 431 Y C 1.448 177.444 175.900 0.160 0.000 0.961 431 Y CA -0.776 57.395 58.100 0.118 0.000 1.215 431 Y CB 1.107 39.641 38.460 0.123 0.000 1.120 431 Y HN 0.633 nan 8.280 nan 0.000 0.499 432 R N 1.281 121.969 120.500 0.315 0.000 2.094 432 R HA -0.100 4.240 4.340 -0.000 0.000 0.239 432 R C -0.156 176.302 176.300 0.264 0.000 1.137 432 R CA 1.393 57.640 56.100 0.245 0.000 0.943 432 R CB 0.081 30.494 30.300 0.189 0.000 0.850 432 R HN 0.482 nan 8.270 nan 0.000 0.433 433 S N -1.338 114.528 115.700 0.277 0.000 2.500 433 S HA 0.424 4.894 4.470 -0.000 0.000 0.301 433 S C -1.774 173.028 174.600 0.336 0.000 1.092 433 S CA -0.603 57.751 58.200 0.257 0.000 1.030 433 S CB 1.937 65.227 63.200 0.150 0.000 1.031 433 S HN 0.384 nan 8.310 nan 0.000 0.483 434 W N 4.332 125.714 121.300 0.136 0.000 3.479 434 W HA 0.508 5.168 4.660 -0.000 0.000 0.304 434 W C -3.047 173.573 176.519 0.169 0.000 1.243 434 W CA -1.442 55.942 57.345 0.065 0.000 1.202 434 W CB 1.056 30.546 29.460 0.051 0.000 1.346 434 W HN 0.410 nan 8.180 nan 0.000 0.539 435 P HA 0.228 nan 4.420 nan 0.000 0.278 435 P C 0.311 177.286 177.300 -0.541 0.000 1.258 435 P CA -0.136 62.169 63.100 -1.324 0.000 0.811 435 P CB 1.526 32.369 31.700 -1.428 0.000 1.063 436 S N -0.739 114.692 115.700 -0.448 0.000 2.524 436 S HA 0.174 4.644 4.470 -0.000 0.000 0.216 436 S C 0.570 175.054 174.600 -0.193 0.000 0.987 436 S CA 0.081 58.149 58.200 -0.220 0.000 0.909 436 S CB -0.731 62.384 63.200 -0.141 0.000 0.781 436 S HN 0.398 nan 8.310 nan 0.000 0.521 437 V N -0.348 119.415 119.914 -0.252 0.000 2.760 437 V HA 0.896 5.016 4.120 -0.000 0.000 0.309 437 V C -0.328 175.641 176.094 -0.209 0.000 1.077 437 V CA -0.869 61.322 62.300 -0.182 0.000 0.910 437 V CB 0.416 32.157 31.823 -0.136 0.000 1.008 437 V HN 0.811 nan 8.190 nan 0.000 0.424 438 C N 1.730 120.941 119.300 -0.149 0.000 3.272 438 C HA 0.587 5.047 4.460 -0.000 0.000 0.363 438 C C 1.044 175.990 174.990 -0.073 0.000 1.514 438 C CA -0.102 58.836 59.018 -0.132 0.000 1.185 438 C CB 1.323 28.966 27.740 -0.163 0.000 1.716 438 C HN 0.939 nan 8.230 nan 0.000 0.440 439 E N 1.096 121.269 120.200 -0.044 0.000 2.150 439 E HA 0.038 4.387 4.350 -0.000 0.000 0.193 439 E C 0.751 177.347 176.600 -0.008 0.000 0.985 439 E CA 1.806 58.204 56.400 -0.003 0.000 0.814 439 E CB 0.113 29.841 29.700 0.046 0.000 0.752 439 E HN 0.860 nan 8.360 nan 0.000 0.466 440 S N -1.198 114.489 115.700 -0.023 0.000 2.547 440 S HA 0.269 4.739 4.470 -0.000 0.000 0.270 440 S C -0.365 174.213 174.600 -0.036 0.000 1.150 440 S CA -0.753 57.434 58.200 -0.021 0.000 0.850 440 S CB 1.414 64.610 63.200 -0.007 0.000 1.118 440 S HN 0.269 nan 8.310 nan 0.000 0.461 441 N N -0.349 118.332 118.700 -0.032 0.000 2.740 441 N HA -0.154 4.586 4.740 -0.000 0.000 0.248 441 N C -0.724 174.755 175.510 -0.051 0.000 1.062 441 N CA 0.730 53.757 53.050 -0.037 0.000 0.704 441 N CB -1.479 36.986 38.487 -0.036 0.000 0.968 441 N HN 0.707 nan 8.380 nan 0.000 0.547 442 C N -1.931 117.337 119.300 -0.054 0.000 3.044 442 C HA 0.355 4.815 4.460 -0.000 0.000 0.315 442 C C 2.151 177.110 174.990 -0.052 0.000 1.320 442 C CA -0.505 58.473 59.018 -0.067 0.000 1.582 442 C CB 1.618 29.297 27.740 -0.101 0.000 2.039 442 C HN 0.437 nan 8.230 nan 0.000 0.466 443 T N 0.622 115.144 114.554 -0.054 0.000 2.833 443 T HA 0.123 4.473 4.350 -0.000 0.000 0.269 443 T C 0.701 175.378 174.700 -0.040 0.000 1.054 443 T CA 1.670 63.747 62.100 -0.038 0.000 1.135 443 T CB -0.160 68.687 68.868 -0.034 0.000 0.869 443 T HN 0.951 nan 8.240 nan 0.000 0.466 444 G N -0.994 107.773 108.800 -0.055 0.000 2.766 444 G HA2 0.619 4.579 3.960 -0.000 0.000 0.288 444 G HA3 0.619 4.579 3.960 -0.000 0.000 0.288 444 G C -0.688 174.179 174.900 -0.055 0.000 1.408 444 G CA -0.314 44.756 45.100 -0.049 0.000 0.852 444 G HN 0.342 nan 8.290 nan 0.000 0.487 445 G N -1.377 107.398 108.800 -0.042 0.000 2.667 445 G HA2 0.570 4.530 3.960 -0.000 0.000 0.310 445 G HA3 0.570 4.530 3.960 -0.000 0.000 0.310 445 G C -0.981 173.896 174.900 -0.039 0.000 1.259 445 G CA -0.677 44.401 45.100 -0.037 0.000 1.019 445 G HN 0.469 nan 8.290 nan 0.000 0.496 446 L N 0.052 121.256 121.223 -0.032 0.000 2.436 446 L HA 0.416 4.756 4.340 -0.000 0.000 0.265 446 L C 0.836 177.698 176.870 -0.014 0.000 1.168 446 L CA -0.029 54.793 54.840 -0.031 0.000 0.815 446 L CB 1.302 43.339 42.059 -0.036 0.000 1.109 446 L HN 0.351 nan 8.230 nan 0.000 0.462 447 T N 3.874 118.427 114.554 -0.002 0.000 2.788 447 T HA 0.402 4.752 4.350 -0.000 0.000 0.296 447 T C -2.459 172.261 174.700 0.033 0.000 1.009 447 T CA -1.194 60.925 62.100 0.032 0.000 0.949 447 T CB 1.229 70.118 68.868 0.035 0.000 0.946 447 T HN 0.298 nan 8.240 nan 0.000 0.453 448 P HA 0.248 nan 4.420 nan 0.000 0.271 448 P C -0.810 176.251 177.300 -0.399 0.000 1.216 448 P CA -0.716 62.176 63.100 -0.346 0.000 0.771 448 P CB 0.492 31.779 31.700 -0.688 0.000 0.864 449 L N 5.598 126.548 121.223 -0.455 0.000 2.301 449 L HA 0.402 4.742 4.340 -0.000 0.000 0.278 449 L C -1.230 175.354 176.870 -0.476 0.000 1.022 449 L CA -0.769 53.732 54.840 -0.565 0.000 0.854 449 L CB -0.305 41.409 42.059 -0.574 0.000 1.226 449 L HN 0.198 nan 8.230 nan 0.000 0.429 450 Y N 4.358 124.497 120.300 -0.269 0.000 2.309 450 Y HA 0.379 4.929 4.550 -0.000 0.000 0.327 450 Y C 0.171 175.914 175.900 -0.261 0.000 1.172 450 Y CA -0.396 57.560 58.100 -0.239 0.000 1.280 450 Y CB 0.740 39.063 38.460 -0.229 0.000 1.234 450 Y HN 0.390 nan 8.280 nan 0.000 0.512 451 L N 2.726 123.878 121.223 -0.119 0.000 2.439 451 L HA 0.511 4.851 4.340 -0.000 0.000 0.269 451 L C 0.329 177.071 176.870 -0.212 0.000 1.179 451 L CA 0.282 54.938 54.840 -0.306 0.000 0.828 451 L CB 0.264 41.966 42.059 -0.595 0.000 1.106 451 L HN 0.853 nan 8.230 nan 0.000 0.467 452 A N 1.885 124.549 122.820 -0.260 0.000 2.552 452 A HA 0.479 4.799 4.320 -0.000 0.000 0.288 452 A C -0.849 176.431 177.584 -0.506 0.000 1.193 452 A CA -0.737 51.100 52.037 -0.335 0.000 0.713 452 A CB 0.659 19.579 19.000 -0.133 0.000 1.305 452 A HN 0.594 nan 8.150 nan 0.000 0.424 453 D N -0.483 119.700 120.400 -0.361 0.000 2.378 453 D HA 0.360 5.000 4.640 -0.000 0.000 0.238 453 D C 1.279 177.506 176.300 -0.121 0.000 1.180 453 D CA 2.045 55.913 54.000 -0.219 0.000 0.895 453 D CB 0.606 41.382 40.800 -0.040 0.000 1.192 453 D HN 1.471 nan 8.370 nan 0.000 0.438 454 G N 1.839 110.596 108.800 -0.072 0.000 2.179 454 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.257 454 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.257 454 G C 0.345 175.289 174.900 0.073 0.000 1.010 454 G CA 0.901 46.016 45.100 0.024 0.000 0.736 454 G HN 0.836 nan 8.290 nan 0.000 0.513 455 H N -2.183 116.813 119.070 -0.125 0.000 2.770 455 H HA -0.079 4.477 4.556 -0.000 0.000 0.309 455 H C 1.456 176.759 175.328 -0.041 0.000 1.206 455 H CA 1.946 57.862 56.048 -0.219 0.000 1.147 455 H CB -1.362 28.192 29.762 -0.347 0.000 1.422 455 H HN 1.344 nan 8.280 nan 0.000 0.420 456 G N -0.596 108.255 108.800 0.085 0.000 2.521 456 G HA2 0.692 4.652 3.960 -0.000 0.000 0.323 456 G HA3 0.692 4.652 3.960 -0.000 0.000 0.323 456 G C -0.627 174.308 174.900 0.058 0.000 1.211 456 G CA -0.903 44.232 45.100 0.059 0.000 0.979 456 G HN 0.163 nan 8.290 nan 0.000 0.490 457 L N 0.107 121.320 121.223 -0.018 0.000 2.408 457 L HA 0.671 5.011 4.340 -0.000 0.000 0.268 457 L C -0.340 176.444 176.870 -0.143 0.000 0.986 457 L CA -0.730 54.046 54.840 -0.106 0.000 0.820 457 L CB 2.405 44.375 42.059 -0.149 0.000 1.303 457 L HN 0.614 nan 8.230 nan 0.000 0.411 458 S N 0.835 116.435 115.700 -0.166 0.000 2.533 458 S HA 0.475 4.945 4.470 -0.000 0.000 0.271 458 S C -0.034 174.514 174.600 -0.088 0.000 1.143 458 S CA -0.508 57.624 58.200 -0.113 0.000 0.891 458 S CB 0.991 64.191 63.200 -0.001 0.000 1.105 458 S HN 0.459 nan 8.310 nan 0.000 0.468 459 F N 1.957 121.957 119.950 0.083 0.000 2.802 459 F HA 0.140 4.667 4.527 -0.000 0.000 0.300 459 F C 1.465 177.392 175.800 0.212 0.000 1.168 459 F CA 0.405 58.470 58.000 0.109 0.000 1.433 459 F CB 0.297 39.323 39.000 0.044 0.000 1.115 459 F HN 0.387 nan 8.300 nan 0.000 0.582 460 T N -0.913 113.820 114.554 0.298 0.000 2.767 460 T HA 0.075 4.425 4.350 -0.000 0.000 0.288 460 T C -0.534 174.202 174.700 0.060 0.000 0.963 460 T CA -0.426 61.792 62.100 0.198 0.000 1.019 460 T CB 0.277 69.211 68.868 0.109 0.000 0.923 460 T HN 0.123 nan 8.240 nan 0.000 0.468 461 H N 4.857 123.798 119.070 -0.215 0.000 3.046 461 H HA 0.181 4.737 4.556 -0.000 0.000 0.303 461 H C -2.159 172.928 175.328 -0.402 0.000 1.002 461 H CA -1.356 54.231 56.048 -0.769 0.000 1.460 461 H CB 0.405 29.812 29.762 -0.591 0.000 1.493 461 H HN 0.275 nan 8.280 nan 0.000 0.559 462 P HA 0.083 nan 4.420 nan 0.000 0.276 462 P C -0.257 177.094 177.300 0.085 0.000 1.243 462 P CA -0.139 62.940 63.100 -0.034 0.000 0.768 462 P CB 1.459 33.126 31.700 -0.056 0.000 0.856 463 A N 3.467 126.300 122.820 0.021 0.000 1.968 463 A HA 0.240 4.560 4.320 -0.000 0.000 0.217 463 A C 1.181 178.756 177.584 -0.014 0.000 1.169 463 A CA 1.110 53.135 52.037 -0.020 0.000 0.638 463 A CB -0.725 18.246 19.000 -0.048 0.000 0.812 463 A HN 0.598 nan 8.150 nan 0.000 0.446 464 A N 0.545 123.362 122.820 -0.005 0.000 2.327 464 A HA 0.485 4.805 4.320 -0.000 0.000 0.283 464 A C -0.583 176.985 177.584 -0.026 0.000 1.127 464 A CA -0.596 51.433 52.037 -0.012 0.000 0.810 464 A CB 0.239 19.234 19.000 -0.008 0.000 1.066 464 A HN 0.385 nan 8.150 nan 0.000 0.492 465 D N 0.405 120.778 120.400 -0.045 0.000 2.339 465 D HA 0.520 5.160 4.640 -0.000 0.000 0.245 465 D C 0.352 176.476 176.300 -0.294 0.000 1.115 465 D CA 0.962 54.895 54.000 -0.111 0.000 0.917 465 D CB 1.724 42.548 40.800 0.040 0.000 1.192 465 D HN 0.782 nan 8.370 nan 0.000 0.428 466 G N -1.020 107.325 108.800 -0.759 0.000 2.559 466 G HA2 0.632 4.592 3.960 -0.000 0.000 0.291 466 G HA3 0.632 4.592 3.960 -0.000 0.000 0.291 466 G C -1.995 172.149 174.900 -1.260 0.000 1.424 466 G CA -0.409 44.169 45.100 -0.871 0.000 0.786 466 G HN 0.608 nan 8.290 nan 0.000 0.485 467 A N 0.193 122.630 122.820 -0.638 0.000 2.577 467 A HA 0.729 5.049 4.320 -0.000 0.000 0.297 467 A C -2.061 175.542 177.584 0.031 0.000 1.060 467 A CA -0.669 51.204 52.037 -0.274 0.000 0.697 467 A CB 1.924 20.851 19.000 -0.122 0.000 1.281 467 A HN 0.496 nan 8.150 nan 0.000 0.402 468 D N 1.076 121.574 120.400 0.163 0.000 2.350 468 D HA 0.699 5.339 4.640 -0.000 0.000 0.245 468 D C -0.409 176.029 176.300 0.229 0.000 1.036 468 D CA 0.011 54.124 54.000 0.187 0.000 0.848 468 D CB 2.127 43.033 40.800 0.177 0.000 1.307 468 D HN 0.411 nan 8.370 nan 0.000 0.469 469 S N 0.710 116.536 115.700 0.211 0.000 2.607 469 S HA 0.774 5.244 4.470 -0.000 0.000 0.303 469 S C -0.869 173.905 174.600 0.290 0.000 1.086 469 S CA -0.867 57.450 58.200 0.195 0.000 0.995 469 S CB 1.416 64.683 63.200 0.112 0.000 1.084 469 S HN 0.509 nan 8.310 nan 0.000 0.507 470 Y N -2.148 118.236 120.300 0.139 0.000 2.552 470 Y HA 0.735 5.285 4.550 -0.000 0.000 0.337 470 Y C -1.603 174.360 175.900 0.105 0.000 1.094 470 Y CA -1.402 56.768 58.100 0.117 0.000 1.028 470 Y CB 0.431 38.965 38.460 0.124 0.000 1.321 470 Y HN 0.333 nan 8.280 nan 0.000 0.456 471 V N 2.956 122.981 119.914 0.185 0.000 2.383 471 V HA 0.425 4.545 4.120 -0.000 0.000 0.275 471 V C -0.103 176.085 176.094 0.156 0.000 1.036 471 V CA -0.344 62.011 62.300 0.093 0.000 0.889 471 V CB 1.254 33.130 31.823 0.089 0.000 0.985 471 V HN 0.821 nan 8.190 nan 0.000 0.459 472 S N 3.746 119.494 115.700 0.080 0.000 2.420 472 S HA 0.324 4.794 4.470 -0.000 0.000 0.313 472 S C -0.692 173.958 174.600 0.085 0.000 1.079 472 S CA -0.642 57.628 58.200 0.117 0.000 1.104 472 S CB 0.524 63.760 63.200 0.060 0.000 0.969 472 S HN 0.817 nan 8.310 nan 0.000 0.471 473 D N 5.416 125.884 120.400 0.114 0.000 2.414 473 D HA 0.445 5.085 4.640 -0.000 0.000 0.232 473 D C -1.899 174.443 176.300 0.069 0.000 1.070 473 D CA -2.294 51.770 54.000 0.108 0.000 0.839 473 D CB 1.944 42.848 40.800 0.174 0.000 1.079 473 D HN 0.219 nan 8.370 nan 0.000 0.521 474 P HA -0.014 nan 4.420 nan 0.000 0.228 474 P C 0.713 177.901 177.300 -0.186 0.000 1.151 474 P CA 0.653 63.732 63.100 -0.035 0.000 0.770 474 P CB 0.329 32.082 31.700 0.088 0.000 0.786 475 A N -1.457 121.257 122.820 -0.177 0.000 2.072 475 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 475 A C 0.572 177.845 177.584 -0.520 0.000 1.156 475 A CA 0.921 52.739 52.037 -0.366 0.000 0.701 475 A CB -0.941 17.840 19.000 -0.365 0.000 0.816 475 A HN 0.262 nan 8.150 nan 0.000 0.458 476 H N -0.115 118.942 119.070 -0.021 0.000 2.336 476 H HA 0.275 4.831 4.556 -0.000 0.000 0.230 476 H C -2.748 172.625 175.328 0.075 0.000 1.426 476 H CA -1.726 54.357 56.048 0.059 0.000 1.359 476 H CB 0.566 30.371 29.762 0.073 0.000 1.555 476 H HN 0.309 nan 8.280 nan 0.000 0.512 477 P HA 0.009 nan 4.420 nan 0.000 0.275 477 P C 0.151 177.636 177.300 0.308 0.000 1.228 477 P CA -0.327 62.825 63.100 0.085 0.000 0.786 477 P CB 1.768 33.335 31.700 -0.221 0.000 0.927 478 V N 4.619 124.712 119.914 0.298 0.000 2.479 478 V HA 0.090 4.210 4.120 -0.000 0.000 0.281 478 V C -1.885 174.480 176.094 0.452 0.000 1.031 478 V CA -1.245 61.249 62.300 0.324 0.000 1.038 478 V CB -0.075 31.902 31.823 0.257 0.000 0.981 478 V HN 0.558 nan 8.190 nan 0.000 0.478 479 P HA 0.081 nan 4.420 nan 0.000 0.271 479 P C 0.485 177.950 177.300 0.275 0.000 1.220 479 P CA -0.241 63.075 63.100 0.359 0.000 0.768 479 P CB 0.339 32.096 31.700 0.095 0.000 0.848 480 F N 4.842 124.792 119.950 0.000 0.000 2.293 480 F HA 0.079 4.606 4.527 -0.000 0.000 0.300 480 F C 0.603 176.266 175.800 -0.229 0.000 1.086 480 F CA 0.354 58.210 58.000 -0.240 0.000 1.375 480 F CB -0.652 37.766 39.000 -0.971 0.000 1.045 480 F HN 0.159 nan 8.300 nan 0.000 0.516 481 I N -2.970 116.970 120.570 -1.050 0.000 2.994 481 I HA 0.507 4.677 4.170 -0.000 0.000 0.306 481 I C -0.289 175.544 176.117 -0.475 0.000 1.195 481 I CA -1.391 59.447 61.300 -0.771 0.000 1.001 481 I CB 1.766 39.137 38.000 -1.048 0.000 1.244 481 I HN -0.270 nan 8.210 nan 0.000 0.437 482 S N 2.352 117.884 115.700 -0.279 0.000 2.558 482 S HA 0.155 4.625 4.470 -0.000 0.000 0.293 482 S C 0.192 174.701 174.600 -0.151 0.000 1.292 482 S CA -0.330 57.766 58.200 -0.173 0.000 1.063 482 S CB 0.016 63.144 63.200 -0.120 0.000 0.831 482 S HN 0.469 nan 8.310 nan 0.000 0.499 483 R N 2.815 123.234 120.500 -0.135 0.000 2.539 483 R HA 0.327 4.667 4.340 -0.000 0.000 0.275 483 R C -1.951 174.312 176.300 -0.062 0.000 1.077 483 R CA -1.191 54.847 56.100 -0.104 0.000 1.097 483 R CB -0.121 30.061 30.300 -0.196 0.000 1.018 483 R HN 0.465 nan 8.270 nan 0.000 0.483 484 P HA 0.300 nan 4.420 nan 0.000 0.282 484 P C -1.362 175.980 177.300 0.070 0.000 1.259 484 P CA -0.369 62.736 63.100 0.008 0.000 0.826 484 P CB 0.869 32.569 31.700 -0.000 0.000 1.064 485 F N 0.441 120.330 119.950 -0.101 0.000 2.596 485 F HA 0.629 5.156 4.527 -0.000 0.000 0.311 485 F C -1.806 173.892 175.800 -0.170 0.000 1.116 485 F CA -0.583 57.326 58.000 -0.152 0.000 0.957 485 F CB 1.776 40.632 39.000 -0.241 0.000 1.250 485 F HN 0.561 nan 8.300 nan 0.000 0.444 486 A N 5.173 127.265 122.820 -1.214 0.000 2.386 486 A HA 0.557 4.877 4.320 -0.000 0.000 0.311 486 A C -0.301 176.414 177.584 -1.448 0.000 1.068 486 A CA -0.621 50.818 52.037 -0.997 0.000 0.743 486 A CB 0.517 19.264 19.000 -0.420 0.000 1.258 486 A HN 0.860 nan 8.150 nan 0.000 0.429 487 F N 1.593 121.041 119.950 -0.836 0.000 2.250 487 F HA -0.189 4.338 4.527 -0.000 0.000 0.301 487 F C 2.588 178.147 175.800 -0.402 0.000 1.077 487 F CA 1.938 59.580 58.000 -0.596 0.000 1.348 487 F CB 0.006 38.754 39.000 -0.420 0.000 1.040 487 F HN 0.662 nan 8.300 nan 0.000 0.509 488 A N -0.589 122.129 122.820 -0.169 0.000 2.019 488 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 488 A C 1.329 178.868 177.584 -0.074 0.000 1.164 488 A CA 0.652 52.633 52.037 -0.093 0.000 0.644 488 A CB -0.659 18.296 19.000 -0.074 0.000 0.805 488 A HN 0.382 nan 8.150 nan 0.000 0.449 489 Q N 0.920 120.637 119.800 -0.138 0.000 2.613 489 Q HA 0.189 4.528 4.340 -0.000 0.000 0.228 489 Q C 0.773 176.863 176.000 0.151 0.000 1.318 489 Q CA -0.197 55.596 55.803 -0.016 0.000 0.907 489 Q CB 0.108 28.818 28.738 -0.048 0.000 1.593 489 Q HN 0.543 nan 8.270 nan 0.000 0.559 490 S N 0.367 116.152 115.700 0.141 0.000 2.400 490 S HA -0.197 4.273 4.470 -0.000 0.000 0.232 490 S C 2.001 176.737 174.600 0.227 0.000 1.025 490 S CA 1.525 59.860 58.200 0.226 0.000 0.993 490 S CB -0.034 63.249 63.200 0.137 0.000 0.808 490 S HN 0.755 nan 8.310 nan 0.000 0.478 491 S N 1.588 117.376 115.700 0.146 0.000 2.447 491 S HA 0.007 4.477 4.470 -0.000 0.000 0.233 491 S C 1.659 176.341 174.600 0.137 0.000 1.006 491 S CA 0.521 58.785 58.200 0.108 0.000 0.957 491 S CB -0.201 63.037 63.200 0.063 0.000 0.773 491 S HN 0.460 nan 8.310 nan 0.000 0.507 492 R N -0.964 119.666 120.500 0.218 0.000 2.206 492 R HA 0.182 4.522 4.340 -0.000 0.000 0.198 492 R C 2.024 178.506 176.300 0.303 0.000 0.986 492 R CA 0.464 56.698 56.100 0.223 0.000 1.029 492 R CB -0.250 30.201 30.300 0.252 0.000 0.966 492 R HN 0.647 nan 8.270 nan 0.000 0.487 493 W N 2.828 124.281 121.300 0.254 0.000 2.408 493 W HA -0.128 4.532 4.660 -0.000 0.000 0.311 493 W C 1.122 177.817 176.519 0.295 0.000 1.190 493 W CA 1.194 58.714 57.345 0.292 0.000 1.321 493 W CB 0.000 29.671 29.460 0.351 0.000 1.143 493 W HN -0.087 nan 8.180 nan 0.000 0.501 494 K N 0.043 120.529 120.400 0.143 0.000 2.034 494 K HA -0.205 4.115 4.320 -0.000 0.000 0.214 494 K C -0.991 175.541 176.600 -0.113 0.000 1.051 494 K CA 2.180 58.448 56.287 -0.033 0.000 0.931 494 K CB -1.528 31.016 32.500 0.073 0.000 0.715 494 K HN 0.189 nan 8.250 nan 0.000 0.446 495 P HA -0.031 nan 4.420 nan 0.000 0.266 495 P C 0.417 177.630 177.300 -0.144 0.000 1.561 495 P CA -0.140 62.888 63.100 -0.121 0.000 1.089 495 P CB -0.491 31.160 31.700 -0.081 0.000 1.534 496 W N 0.370 121.509 121.300 -0.268 0.000 2.350 496 W HA -0.106 4.553 4.660 -0.000 0.000 0.289 496 W C 0.527 176.925 176.519 -0.201 0.000 1.215 496 W CA 0.234 57.417 57.345 -0.269 0.000 1.236 496 W CB -1.450 27.815 29.460 -0.325 0.000 1.130 496 W HN -0.146 nan 8.180 nan 0.000 0.541 497 L N 1.997 122.712 121.223 -0.847 0.000 2.456 497 L HA -0.136 4.204 4.340 -0.000 0.000 0.224 497 L C 2.247 178.874 176.870 -0.405 0.000 1.148 497 L CA 1.002 55.379 54.840 -0.771 0.000 0.825 497 L CB -0.494 41.200 42.059 -0.608 0.000 0.937 497 L HN 0.006 nan 8.230 nan 0.000 0.450 498 V N -4.809 114.838 119.914 -0.446 0.000 3.483 498 V HA 0.171 4.291 4.120 -0.000 0.000 0.301 498 V C 0.909 176.953 176.094 -0.083 0.000 1.389 498 V CA -0.427 61.614 62.300 -0.432 0.000 1.101 498 V CB -0.260 31.125 31.823 -0.730 0.000 0.971 498 V HN 0.142 nan 8.190 nan 0.000 0.434 499 Q N 1.916 121.691 119.800 -0.042 0.000 2.392 499 Q HA 0.200 4.540 4.340 -0.000 0.000 0.262 499 Q C -0.183 175.774 176.000 -0.072 0.000 1.003 499 Q CA 0.220 56.033 55.803 0.016 0.000 0.888 499 Q CB 0.789 29.525 28.738 -0.004 0.000 1.260 499 Q HN 0.560 nan 8.270 nan 0.000 0.435 500 D N 1.467 121.657 120.400 -0.350 0.000 2.488 500 D HA -0.082 4.558 4.640 -0.000 0.000 0.238 500 D C 0.209 176.346 176.300 -0.271 0.000 1.138 500 D CA 0.326 53.895 54.000 -0.720 0.000 0.873 500 D CB 0.743 40.985 40.800 -0.930 0.000 1.183 500 D HN 0.202 nan 8.370 nan 0.000 0.458 501 Q N 3.243 122.935 119.800 -0.181 0.000 2.220 501 Q HA 0.107 4.447 4.340 -0.000 0.000 0.205 501 Q C 1.427 177.393 176.000 -0.057 0.000 0.865 501 Q CA -0.050 55.727 55.803 -0.043 0.000 0.960 501 Q CB 0.254 29.014 28.738 0.036 0.000 1.097 501 Q HN 0.511 nan 8.270 nan 0.000 0.493 502 R N 0.741 121.172 120.500 -0.114 0.000 2.120 502 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 502 R C 1.975 178.238 176.300 -0.061 0.000 1.123 502 R CA 1.157 57.205 56.100 -0.087 0.000 0.975 502 R CB 0.144 30.380 30.300 -0.108 0.000 0.866 502 R HN 0.371 nan 8.270 nan 0.000 0.446 503 E N 0.540 120.705 120.200 -0.058 0.000 2.051 503 E HA -0.198 4.151 4.350 -0.000 0.000 0.192 503 E C 1.850 178.441 176.600 -0.016 0.000 0.991 503 E CA 1.252 57.629 56.400 -0.039 0.000 0.799 503 E CB -0.022 29.654 29.700 -0.040 0.000 0.748 503 E HN 0.355 nan 8.360 nan 0.000 0.449 504 A N 1.250 124.073 122.820 0.005 0.000 1.933 504 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 504 A C 2.062 179.640 177.584 -0.010 0.000 1.175 504 A CA 1.602 53.653 52.037 0.024 0.000 0.628 504 A CB -0.584 18.455 19.000 0.065 0.000 0.814 504 A HN 0.459 nan 8.150 nan 0.000 0.444 505 E N 0.528 120.713 120.200 -0.024 0.000 2.153 505 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 505 E C 2.004 178.569 176.600 -0.058 0.000 0.988 505 E CA 1.454 57.826 56.400 -0.046 0.000 0.811 505 E CB -0.103 29.568 29.700 -0.048 0.000 0.746 505 E HN 0.739 nan 8.360 nan 0.000 0.466 506 S N -0.125 115.547 115.700 -0.047 0.000 2.515 506 S HA -0.008 4.462 4.470 -0.000 0.000 0.231 506 S C 0.868 175.445 174.600 -0.039 0.000 0.987 506 S CA -0.096 58.076 58.200 -0.047 0.000 0.936 506 S CB -0.112 63.064 63.200 -0.040 0.000 0.766 506 S HN 0.095 nan 8.310 nan 0.000 0.528 507 R N 1.916 122.398 120.500 -0.029 0.000 2.500 507 R HA 0.331 4.671 4.340 -0.000 0.000 0.275 507 R C -1.760 174.531 176.300 -0.015 0.000 1.051 507 R CA -1.889 54.202 56.100 -0.014 0.000 1.088 507 R CB 0.233 30.537 30.300 0.007 0.000 1.063 507 R HN 0.151 nan 8.270 nan 0.000 0.511 508 P HA -0.057 nan 4.420 nan 0.000 0.241 508 P C -0.385 176.964 177.300 0.082 0.000 1.191 508 P CA 0.816 63.935 63.100 0.032 0.000 0.771 508 P CB 0.233 31.955 31.700 0.037 0.000 0.929 509 D N -0.400 120.045 120.400 0.076 0.000 2.460 509 D HA 0.135 4.775 4.640 -0.000 0.000 0.229 509 D C -0.082 176.161 176.300 -0.095 0.000 1.170 509 D CA -0.745 53.342 54.000 0.145 0.000 0.827 509 D CB -0.289 40.621 40.800 0.183 0.000 0.973 509 D HN -0.047 nan 8.370 nan 0.000 0.496 510 V N 0.524 120.316 119.914 -0.203 0.000 2.668 510 V HA 0.342 4.461 4.120 -0.000 0.000 0.304 510 V C -0.218 175.714 176.094 -0.271 0.000 1.071 510 V CA -1.237 60.870 62.300 -0.322 0.000 0.894 510 V CB 2.247 33.990 31.823 -0.134 0.000 1.008 510 V HN 0.175 nan 8.190 nan 0.000 0.425 511 V N 1.457 121.190 119.914 -0.302 0.000 2.427 511 V HA 0.861 4.981 4.120 -0.000 0.000 0.286 511 V C -0.091 175.993 176.094 -0.016 0.000 1.034 511 V CA -0.117 62.135 62.300 -0.080 0.000 0.893 511 V CB 1.487 33.379 31.823 0.114 0.000 0.982 511 V HN 0.830 nan 8.190 nan 0.000 0.452 512 T N 4.945 119.433 114.554 -0.109 0.000 2.824 512 T HA 0.728 5.078 4.350 -0.000 0.000 0.282 512 T C -1.294 173.290 174.700 -0.194 0.000 0.993 512 T CA -0.116 61.949 62.100 -0.059 0.000 0.967 512 T CB 1.152 69.976 68.868 -0.074 0.000 0.960 512 T HN 0.668 nan 8.240 nan 0.000 0.441 513 Y N 1.453 121.786 120.300 0.055 0.000 2.462 513 Y HA 0.597 5.146 4.550 -0.000 0.000 0.346 513 Y C 0.307 176.200 175.900 -0.011 0.000 0.976 513 Y CA -1.166 56.954 58.100 0.032 0.000 1.044 513 Y CB 1.836 40.282 38.460 -0.023 0.000 1.230 513 Y HN 0.706 nan 8.280 nan 0.000 0.455 514 E N -0.656 119.612 120.200 0.114 0.000 2.392 514 E HA 0.520 4.870 4.350 -0.000 0.000 0.279 514 E C -1.200 175.406 176.600 0.011 0.000 0.964 514 E CA -1.196 55.229 56.400 0.041 0.000 0.777 514 E CB 1.900 31.617 29.700 0.029 0.000 1.249 514 E HN 0.537 nan 8.360 nan 0.000 0.449 515 T N -0.332 114.207 114.554 -0.025 0.000 2.754 515 T HA 0.228 4.578 4.350 -0.000 0.000 0.286 515 T C 0.425 175.129 174.700 0.006 0.000 0.997 515 T CA -0.774 61.307 62.100 -0.032 0.000 0.982 515 T CB 0.806 69.639 68.868 -0.057 0.000 1.027 515 T HN 0.452 nan 8.240 nan 0.000 0.529 516 E N 0.119 120.329 120.200 0.017 0.000 2.391 516 E HA 0.208 4.558 4.350 -0.000 0.000 0.255 516 E C 0.232 176.859 176.600 0.046 0.000 1.187 516 E CA -0.453 55.965 56.400 0.030 0.000 0.941 516 E CB 0.986 30.706 29.700 0.034 0.000 1.010 516 E HN 0.622 nan 8.360 nan 0.000 0.458 517 V N 1.894 121.837 119.914 0.049 0.000 2.599 517 V HA 0.021 4.141 4.120 -0.000 0.000 0.300 517 V C 0.078 176.220 176.094 0.080 0.000 1.034 517 V CA -0.145 62.196 62.300 0.068 0.000 1.115 517 V CB -0.253 31.604 31.823 0.057 0.000 0.934 517 V HN 0.392 nan 8.190 nan 0.000 0.485 518 L N 6.247 127.535 121.223 0.109 0.000 2.410 518 L HA 0.288 4.628 4.340 -0.000 0.000 0.273 518 L C 0.957 177.883 176.870 0.093 0.000 1.144 518 L CA -0.167 54.739 54.840 0.110 0.000 0.863 518 L CB 0.409 42.553 42.059 0.141 0.000 1.140 518 L HN 0.694 nan 8.230 nan 0.000 0.463 519 D N 0.852 121.297 120.400 0.075 0.000 2.305 519 D HA 0.035 4.674 4.640 -0.000 0.000 0.206 519 D C 0.305 176.636 176.300 0.052 0.000 0.974 519 D CA 0.973 55.008 54.000 0.059 0.000 0.871 519 D CB 0.564 41.393 40.800 0.048 0.000 0.947 519 D HN 0.435 nan 8.370 nan 0.000 0.516 520 E N 0.650 120.883 120.200 0.057 0.000 2.292 520 E HA 0.314 4.664 4.350 -0.000 0.000 0.272 520 E C -2.494 174.139 176.600 0.055 0.000 0.881 520 E CA -1.959 54.467 56.400 0.043 0.000 0.754 520 E CB 2.599 32.315 29.700 0.027 0.000 1.201 520 E HN -0.063 nan 8.360 nan 0.000 0.425 521 P HA 0.095 nan 4.420 nan 0.000 0.272 521 P C -0.281 177.060 177.300 0.068 0.000 1.223 521 P CA -0.392 62.738 63.100 0.050 0.000 0.784 521 P CB 0.716 32.416 31.700 0.001 0.000 0.923 522 V N 1.517 121.517 119.914 0.143 0.000 2.444 522 V HA 0.525 4.645 4.120 -0.000 0.000 0.294 522 V C -0.245 175.976 176.094 0.212 0.000 1.022 522 V CA -0.927 61.467 62.300 0.158 0.000 0.850 522 V CB 1.376 33.318 31.823 0.198 0.000 0.992 522 V HN 0.360 nan 8.190 nan 0.000 0.426 523 R N 3.993 124.556 120.500 0.106 0.000 2.404 523 R HA 0.803 5.143 4.340 -0.000 0.000 0.291 523 R C -0.698 175.671 176.300 0.115 0.000 1.025 523 R CA -0.472 55.670 56.100 0.071 0.000 0.991 523 R CB 1.936 32.252 30.300 0.027 0.000 1.053 523 R HN 0.958 nan 8.270 nan 0.000 0.479 524 V N -1.555 118.431 119.914 0.120 0.000 2.808 524 V HA 0.672 4.792 4.120 -0.000 0.000 0.308 524 V C -0.692 175.458 176.094 0.093 0.000 1.099 524 V CA -0.667 61.712 62.300 0.132 0.000 0.920 524 V CB 2.095 34.064 31.823 0.243 0.000 1.014 524 V HN 0.698 nan 8.190 nan 0.000 0.425 525 S N 2.438 118.175 115.700 0.062 0.000 2.680 525 S HA 0.882 5.352 4.470 -0.000 0.000 0.262 525 S C -0.111 174.493 174.600 0.006 0.000 1.138 525 S CA 0.700 58.965 58.200 0.108 0.000 1.072 525 S CB 0.547 63.811 63.200 0.107 0.000 1.097 525 S HN 2.538 nan 8.310 nan 0.000 0.468 526 G N 1.538 110.372 108.800 0.058 0.000 2.332 526 G HA2 0.294 4.254 3.960 -0.000 0.000 0.265 526 G HA3 0.294 4.254 3.960 -0.000 0.000 0.265 526 G C -1.165 173.677 174.900 -0.096 0.000 1.329 526 G CA 0.010 44.962 45.100 -0.247 0.000 0.949 526 G HN 1.719 nan 8.290 nan 0.000 0.476 527 V N 0.216 120.034 119.914 -0.161 0.000 2.384 527 V HA 0.820 4.940 4.120 -0.000 0.000 0.287 527 V C -2.454 173.599 176.094 -0.069 0.000 1.020 527 V CA -1.815 60.437 62.300 -0.079 0.000 0.850 527 V CB 1.519 33.289 31.823 -0.087 0.000 0.987 527 V HN 0.662 nan 8.190 nan 0.000 0.436 528 P HA 0.443 nan 4.420 nan 0.000 0.274 528 P C -0.999 176.241 177.300 -0.099 0.000 1.237 528 P CA -0.273 62.792 63.100 -0.057 0.000 0.793 528 P CB 1.184 32.868 31.700 -0.026 0.000 0.977 529 V N 0.769 120.580 119.914 -0.172 0.000 2.525 529 V HA 0.549 4.669 4.120 -0.000 0.000 0.299 529 V C 0.042 175.884 176.094 -0.420 0.000 1.034 529 V CA -1.035 61.078 62.300 -0.311 0.000 0.863 529 V CB 1.430 33.039 31.823 -0.357 0.000 0.999 529 V HN 0.685 nan 8.190 nan 0.000 0.423 530 A N 2.809 125.248 122.820 -0.634 0.000 2.404 530 A HA 0.541 4.861 4.320 -0.000 0.000 0.273 530 A C -0.185 177.017 177.584 -0.638 0.000 1.144 530 A CA 0.014 51.638 52.037 -0.689 0.000 0.806 530 A CB 0.052 18.390 19.000 -1.102 0.000 1.080 530 A HN 0.852 nan 8.150 nan 0.000 0.509 531 D N 2.486 122.682 120.400 -0.340 0.000 2.458 531 D HA 0.431 5.071 4.640 -0.000 0.000 0.258 531 D C -1.124 175.106 176.300 -0.118 0.000 1.134 531 D CA -0.087 53.836 54.000 -0.129 0.000 0.915 531 D CB 0.491 41.328 40.800 0.062 0.000 1.028 531 D HN 0.336 nan 8.370 nan 0.000 0.508 532 L N 3.696 124.798 121.223 -0.202 0.000 2.307 532 L HA 0.600 4.940 4.340 -0.000 0.000 0.284 532 L C -1.526 175.215 176.870 -0.215 0.000 1.023 532 L CA -0.404 54.345 54.840 -0.151 0.000 0.810 532 L CB 0.732 42.683 42.059 -0.180 0.000 1.231 532 L HN 0.147 nan 8.230 nan 0.000 0.423 533 F N 5.246 125.216 119.950 0.032 0.000 2.366 533 F HA 0.758 5.285 4.527 -0.000 0.000 0.366 533 F C 0.263 176.049 175.800 -0.022 0.000 1.096 533 F CA -0.266 57.748 58.000 0.023 0.000 1.060 533 F CB 1.434 40.430 39.000 -0.007 0.000 1.282 533 F HN 0.639 nan 8.300 nan 0.000 0.450 534 A N 2.149 124.995 122.820 0.042 0.000 2.515 534 A HA 0.948 5.268 4.320 -0.000 0.000 0.298 534 A C -1.436 176.172 177.584 0.040 0.000 1.059 534 A CA -0.688 51.275 52.037 -0.124 0.000 0.698 534 A CB 1.342 19.837 19.000 -0.841 0.000 1.289 534 A HN 0.777 nan 8.150 nan 0.000 0.404 535 A N 0.507 123.404 122.820 0.129 0.000 2.365 535 A HA 0.899 5.219 4.320 -0.000 0.000 0.318 535 A C -0.231 177.543 177.584 0.317 0.000 1.091 535 A CA -0.261 51.906 52.037 0.216 0.000 0.763 535 A CB 1.573 20.660 19.000 0.144 0.000 1.248 535 A HN 1.445 nan 8.150 nan 0.000 0.442 536 T N -0.321 114.418 114.554 0.308 0.000 2.900 536 T HA 0.451 4.801 4.350 -0.000 0.000 0.295 536 T C 1.114 175.891 174.700 0.128 0.000 1.044 536 T CA 0.240 62.475 62.100 0.225 0.000 0.995 536 T CB 1.223 70.227 68.868 0.226 0.000 1.072 536 T HN 1.246 nan 8.240 nan 0.000 0.473 537 S N 2.257 118.001 115.700 0.074 0.000 2.522 537 S HA 0.248 4.718 4.470 -0.000 0.000 0.227 537 S C 1.171 175.802 174.600 0.051 0.000 0.986 537 S CA 0.154 58.387 58.200 0.055 0.000 0.929 537 S CB -0.262 62.960 63.200 0.038 0.000 0.769 537 S HN 0.883 nan 8.310 nan 0.000 0.529 538 G N 1.070 109.901 108.800 0.051 0.000 2.532 538 G HA2 0.429 4.389 3.960 -0.000 0.000 0.291 538 G HA3 0.429 4.389 3.960 -0.000 0.000 0.291 538 G C 0.540 175.480 174.900 0.067 0.000 1.349 538 G CA 0.097 45.225 45.100 0.046 0.000 1.038 538 G HN 0.379 nan 8.290 nan 0.000 0.518 539 T N -3.033 111.564 114.554 0.072 0.000 3.085 539 T HA 0.316 4.666 4.350 -0.000 0.000 0.264 539 T C -0.129 174.651 174.700 0.133 0.000 1.019 539 T CA 0.013 62.167 62.100 0.091 0.000 0.910 539 T CB 0.345 69.271 68.868 0.096 0.000 1.059 539 T HN 0.403 nan 8.240 nan 0.000 0.542 540 D N -0.484 119.980 120.400 0.108 0.000 2.639 540 D HA 0.669 5.309 4.640 -0.000 0.000 0.271 540 D C -1.571 174.732 176.300 0.005 0.000 1.254 540 D CA -0.235 53.828 54.000 0.105 0.000 0.810 540 D CB 2.132 42.998 40.800 0.109 0.000 1.351 540 D HN 0.033 nan 8.370 nan 0.000 0.427 541 S N 0.128 115.789 115.700 -0.066 0.000 2.680 541 S HA 0.318 4.788 4.470 -0.000 0.000 0.284 541 S C -2.079 172.243 174.600 -0.463 0.000 1.055 541 S CA -0.789 57.214 58.200 -0.329 0.000 0.849 541 S CB 1.193 64.028 63.200 -0.608 0.000 1.068 541 S HN 0.393 nan 8.310 nan 0.000 0.453 542 D N 0.435 120.505 120.400 -0.550 0.000 2.217 542 D HA 0.635 5.275 4.640 -0.000 0.000 0.248 542 D C -1.168 174.691 176.300 -0.735 0.000 1.008 542 D CA 0.041 53.789 54.000 -0.420 0.000 0.914 542 D CB 0.800 41.495 40.800 -0.175 0.000 1.182 542 D HN 0.436 nan 8.370 nan 0.000 0.451 543 W N 0.839 122.114 121.300 -0.043 0.000 2.647 543 W HA 0.469 5.129 4.660 -0.000 0.000 0.328 543 W C -1.058 175.438 176.519 -0.038 0.000 1.018 543 W CA -0.883 56.432 57.345 -0.050 0.000 1.245 543 W CB 1.251 30.618 29.460 -0.156 0.000 1.356 543 W HN -0.072 nan 8.180 nan 0.000 0.443 544 V N 4.487 124.467 119.914 0.110 0.000 2.398 544 V HA 0.544 4.664 4.120 -0.000 0.000 0.286 544 V C -0.319 175.761 176.094 -0.024 0.000 1.026 544 V CA -0.934 61.286 62.300 -0.133 0.000 0.868 544 V CB 1.418 32.898 31.823 -0.571 0.000 0.982 544 V HN 0.294 nan 8.190 nan 0.000 0.443 545 V N 5.691 125.634 119.914 0.048 0.000 2.487 545 V HA 0.527 4.647 4.120 -0.000 0.000 0.298 545 V C -0.302 175.824 176.094 0.053 0.000 1.028 545 V CA -0.916 61.426 62.300 0.070 0.000 0.860 545 V CB 1.963 33.849 31.823 0.105 0.000 0.991 545 V HN 0.862 nan 8.190 nan 0.000 0.427 546 K N 4.479 124.905 120.400 0.044 0.000 2.376 546 K HA 0.650 4.970 4.320 -0.000 0.000 0.257 546 K C -1.333 175.321 176.600 0.089 0.000 0.939 546 K CA -0.830 55.513 56.287 0.094 0.000 0.809 546 K CB 2.640 35.204 32.500 0.106 0.000 1.121 546 K HN 0.439 nan 8.250 nan 0.000 0.425 547 L N 4.599 125.888 121.223 0.110 0.000 2.282 547 L HA 0.544 4.884 4.340 -0.000 0.000 0.288 547 L C -1.226 175.742 176.870 0.164 0.000 1.033 547 L CA -0.227 54.677 54.840 0.108 0.000 0.807 547 L CB 0.658 42.779 42.059 0.104 0.000 1.209 547 L HN 0.597 nan 8.230 nan 0.000 0.423 548 I N 3.855 124.531 120.570 0.177 0.000 2.647 548 I HA 0.334 4.504 4.170 -0.000 0.000 0.295 548 I C -1.182 175.139 176.117 0.339 0.000 1.078 548 I CA -0.714 60.719 61.300 0.222 0.000 1.048 548 I CB 2.193 40.288 38.000 0.158 0.000 1.239 548 I HN 0.506 nan 8.210 nan 0.000 0.421 549 D N 5.663 126.299 120.400 0.394 0.000 2.373 549 D HA 0.286 4.926 4.640 -0.000 0.000 0.227 549 D C -0.881 175.656 176.300 0.395 0.000 1.091 549 D CA -0.253 54.077 54.000 0.549 0.000 0.840 549 D CB 1.477 42.569 40.800 0.488 0.000 1.060 549 D HN 0.080 nan 8.370 nan 0.000 0.502 550 V N 5.265 125.380 119.914 0.335 0.000 2.408 550 V HA 0.117 4.237 4.120 -0.000 0.000 0.267 550 V C 0.805 176.976 176.094 0.130 0.000 1.047 550 V CA -0.737 61.685 62.300 0.204 0.000 0.937 550 V CB 0.985 32.885 31.823 0.128 0.000 0.999 550 V HN 0.496 nan 8.190 nan 0.000 0.472 551 Q N 5.477 125.308 119.800 0.051 0.000 2.535 551 Q HA 0.235 4.575 4.340 -0.000 0.000 0.228 551 Q C -2.266 173.571 176.000 -0.271 0.000 1.062 551 Q CA -1.910 53.758 55.803 -0.225 0.000 0.967 551 Q CB -0.206 28.496 28.738 -0.059 0.000 1.273 551 Q HN 0.431 nan 8.270 nan 0.000 0.554 552 P HA -0.038 nan 4.420 nan 0.000 0.265 552 P C 0.068 177.320 177.300 -0.080 0.000 1.193 552 P CA 0.487 63.474 63.100 -0.188 0.000 0.765 552 P CB 0.400 32.011 31.700 -0.147 0.000 0.823 553 A N 4.242 127.038 122.820 -0.040 0.000 1.944 553 A HA -0.203 4.117 4.320 -0.000 0.000 0.222 553 A C 0.985 178.560 177.584 -0.015 0.000 1.237 553 A CA 1.894 53.920 52.037 -0.017 0.000 0.668 553 A CB -0.742 18.253 19.000 -0.008 0.000 0.830 553 A HN 0.516 nan 8.150 nan 0.000 0.471 554 M N -0.504 119.085 119.600 -0.018 0.000 2.395 554 M HA 0.335 4.815 4.480 -0.000 0.000 0.307 554 M C -0.789 175.499 176.300 -0.020 0.000 1.091 554 M CA -0.051 55.241 55.300 -0.014 0.000 0.919 554 M CB 1.676 34.272 32.600 -0.008 0.000 1.662 554 M HN 0.300 nan 8.290 nan 0.000 0.440 555 T N -0.808 113.735 114.554 -0.019 0.000 3.327 555 T HA 0.396 4.746 4.350 -0.000 0.000 0.373 555 T C -2.042 172.648 174.700 -0.016 0.000 1.589 555 T CA -1.360 60.727 62.100 -0.022 0.000 1.497 555 T CB 0.488 69.337 68.868 -0.033 0.000 1.032 555 T HN 0.373 nan 8.240 nan 0.000 0.640 556 P HA -0.060 nan 4.420 nan 0.000 0.221 556 P C 0.525 177.818 177.300 -0.011 0.000 1.145 556 P CA 0.971 64.066 63.100 -0.009 0.000 0.795 556 P CB 0.265 31.961 31.700 -0.005 0.000 0.775 557 D N -0.782 119.610 120.400 -0.013 0.000 2.317 557 D HA -0.032 4.608 4.640 -0.000 0.000 0.211 557 D C 0.351 176.637 176.300 -0.023 0.000 0.966 557 D CA 1.185 55.176 54.000 -0.015 0.000 0.876 557 D CB -0.158 40.634 40.800 -0.013 0.000 0.927 557 D HN 0.184 nan 8.370 nan 0.000 0.519 558 D N -1.338 119.046 120.400 -0.028 0.000 2.668 558 D HA 0.137 4.777 4.640 -0.000 0.000 0.247 558 D C -2.113 174.168 176.300 -0.032 0.000 1.268 558 D CA -1.637 52.341 54.000 -0.038 0.000 0.842 558 D CB 1.215 41.980 40.800 -0.058 0.000 1.399 558 D HN -0.237 nan 8.370 nan 0.000 0.530 559 P HA -0.214 nan 4.420 nan 0.000 0.217 559 P C 1.300 178.598 177.300 -0.003 0.000 1.151 559 P CA 1.507 64.600 63.100 -0.012 0.000 0.849 559 P CB 0.118 31.813 31.700 -0.009 0.000 0.787 560 K N -1.061 119.337 120.400 -0.004 0.000 2.280 560 K HA -0.078 4.242 4.320 -0.000 0.000 0.202 560 K C 1.472 178.104 176.600 0.054 0.000 1.047 560 K CA 1.321 57.620 56.287 0.020 0.000 0.942 560 K CB -0.611 31.896 32.500 0.012 0.000 0.739 560 K HN 0.057 nan 8.250 nan 0.000 0.457 561 M N 1.639 121.242 119.600 0.006 0.000 2.618 561 M HA 0.102 4.581 4.480 -0.000 0.000 0.240 561 M C 0.712 177.048 176.300 0.060 0.000 1.123 561 M CA 0.254 55.557 55.300 0.005 0.000 1.060 561 M CB -0.504 32.024 32.600 -0.120 0.000 1.535 561 M HN 0.223 nan 8.290 nan 0.000 0.507 562 G N 0.294 109.116 108.800 0.038 0.000 2.298 562 G HA2 0.329 4.289 3.960 -0.000 0.000 0.263 562 G HA3 0.329 4.289 3.960 -0.000 0.000 0.263 562 G C 1.113 176.039 174.900 0.043 0.000 1.229 562 G CA 0.357 45.470 45.100 0.022 0.000 0.976 562 G HN 0.690 nan 8.290 nan 0.000 0.459 563 G N 1.755 110.573 108.800 0.031 0.000 2.168 563 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.263 563 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.263 563 G C 0.494 175.441 174.900 0.078 0.000 0.977 563 G CA 0.665 45.786 45.100 0.036 0.000 0.659 563 G HN 1.131 nan 8.290 nan 0.000 0.533 564 Y N 1.816 122.104 120.300 -0.020 0.000 2.805 564 Y HA 0.308 4.858 4.550 -0.000 0.000 0.331 564 Y C 0.811 176.722 175.900 0.018 0.000 1.241 564 Y CA 0.651 58.746 58.100 -0.008 0.000 1.546 564 Y CB 0.428 38.877 38.460 -0.019 0.000 1.248 564 Y HN 0.360 nan 8.280 nan 0.000 0.559 565 E N 7.012 127.163 120.200 -0.082 0.000 1.936 565 E HA 0.144 4.494 4.350 -0.000 0.000 0.267 565 E C -1.239 175.408 176.600 0.077 0.000 1.076 565 E CA -0.576 55.839 56.400 0.025 0.000 0.870 565 E CB 0.463 30.146 29.700 -0.029 0.000 1.093 565 E HN 0.410 nan 8.360 nan 0.000 0.411 566 L N 5.248 126.652 121.223 0.301 0.000 2.278 566 L HA 0.342 4.682 4.340 -0.000 0.000 0.287 566 L C -2.578 174.431 176.870 0.231 0.000 1.072 566 L CA -2.171 52.864 54.840 0.324 0.000 0.819 566 L CB 0.462 42.716 42.059 0.325 0.000 1.176 566 L HN 0.161 nan 8.230 nan 0.000 0.435 567 P HA 0.083 nan 4.420 nan 0.000 0.276 567 P C 0.487 177.978 177.300 0.319 0.000 1.243 567 P CA -0.185 63.050 63.100 0.225 0.000 0.768 567 P CB 1.032 32.855 31.700 0.206 0.000 0.856 568 V N 0.539 120.582 119.914 0.215 0.000 3.565 568 V HA 0.289 4.409 4.120 -0.000 0.000 0.260 568 V C 0.496 176.613 176.094 0.038 0.000 1.231 568 V CA 0.514 62.877 62.300 0.106 0.000 1.100 568 V CB 0.018 31.734 31.823 -0.179 0.000 0.807 568 V HN 0.550 nan 8.190 nan 0.000 0.454 569 S N 1.233 117.001 115.700 0.115 0.000 2.590 569 S HA 0.725 5.195 4.470 -0.000 0.000 0.286 569 S C -0.976 173.729 174.600 0.174 0.000 1.147 569 S CA -0.636 57.626 58.200 0.104 0.000 0.963 569 S CB 1.015 64.254 63.200 0.064 0.000 1.124 569 S HN 0.624 nan 8.310 nan 0.000 0.458 570 M N 2.810 122.555 119.600 0.242 0.000 2.520 570 M HA 0.809 5.289 4.480 -0.000 0.000 0.283 570 M C -1.620 174.959 176.300 0.465 0.000 1.237 570 M CA -0.735 54.763 55.300 0.330 0.000 0.885 570 M CB 2.231 35.068 32.600 0.394 0.000 1.727 570 M HN 0.480 nan 8.290 nan 0.000 0.468 571 D N 0.577 121.252 120.400 0.459 0.000 2.692 571 D HA 0.655 5.295 4.640 -0.000 0.000 0.290 571 D C -2.033 174.507 176.300 0.400 0.000 1.281 571 D CA -0.392 53.957 54.000 0.581 0.000 0.804 571 D CB 3.062 44.243 40.800 0.635 0.000 1.331 571 D HN 0.852 nan 8.370 nan 0.000 0.432 572 I N 0.872 121.669 120.570 0.378 0.000 2.689 572 I HA 0.646 4.816 4.170 -0.000 0.000 0.299 572 I C -1.615 174.575 176.117 0.123 0.000 1.059 572 I CA -0.914 60.460 61.300 0.123 0.000 1.055 572 I CB 1.762 39.701 38.000 -0.101 0.000 1.243 572 I HN 0.295 nan 8.210 nan 0.000 0.425 573 F N 6.599 126.420 119.950 -0.215 0.000 2.539 573 F HA 0.512 5.039 4.527 -0.000 0.000 0.318 573 F C -0.458 175.293 175.800 -0.083 0.000 1.135 573 F CA -0.731 57.068 58.000 -0.335 0.000 0.915 573 F CB 1.223 39.586 39.000 -1.063 0.000 1.176 573 F HN 0.413 nan 8.300 nan 0.000 0.440 574 R N 4.097 124.416 120.500 -0.300 0.000 2.210 574 R HA 0.314 4.654 4.340 -0.000 0.000 0.338 574 R C 1.310 177.661 176.300 0.084 0.000 1.062 574 R CA 0.590 56.663 56.100 -0.046 0.000 0.902 574 R CB 0.780 31.124 30.300 0.074 0.000 1.050 574 R HN 0.977 nan 8.270 nan 0.000 0.461 575 G N 5.130 114.096 108.800 0.276 0.000 2.547 575 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.221 575 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.221 575 G C 1.230 176.351 174.900 0.369 0.000 1.140 575 G CA 1.159 46.578 45.100 0.532 0.000 0.760 575 G HN 0.813 nan 8.290 nan 0.000 0.583 576 R N -0.549 119.994 120.500 0.072 0.000 2.249 576 R HA -0.073 4.267 4.340 -0.000 0.000 0.230 576 R C 1.071 177.283 176.300 -0.146 0.000 1.121 576 R CA 1.295 57.357 56.100 -0.065 0.000 0.997 576 R CB -0.580 29.620 30.300 -0.166 0.000 0.867 576 R HN 0.507 nan 8.270 nan 0.000 0.465 577 Y N 0.456 120.898 120.300 0.236 0.000 2.625 577 Y HA 0.301 4.851 4.550 -0.000 0.000 0.285 577 Y C 2.121 178.149 175.900 0.213 0.000 1.168 577 Y CA -0.686 57.527 58.100 0.188 0.000 1.250 577 Y CB 0.168 38.779 38.460 0.251 0.000 1.130 577 Y HN -0.015 nan 8.280 nan 0.000 0.526 578 R N 1.031 121.780 120.500 0.415 0.000 2.096 578 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 578 R C 1.458 177.768 176.300 0.018 0.000 1.127 578 R CA 1.708 57.987 56.100 0.298 0.000 0.968 578 R CB 0.193 30.545 30.300 0.087 0.000 0.861 578 R HN 0.322 nan 8.270 nan 0.000 0.440 579 K N -1.205 119.192 120.400 -0.005 0.000 2.141 579 K HA 0.019 4.339 4.320 -0.000 0.000 0.202 579 K C -0.023 176.529 176.600 -0.080 0.000 1.045 579 K CA 0.599 56.852 56.287 -0.058 0.000 0.971 579 K CB 0.338 32.816 32.500 -0.037 0.000 0.795 579 K HN 0.008 nan 8.250 nan 0.000 0.459 580 D N -1.183 119.196 120.400 -0.036 0.000 2.970 580 D HA 0.123 4.763 4.640 -0.000 0.000 0.230 580 D C -0.179 176.175 176.300 0.090 0.000 1.276 580 D CA -0.534 53.452 54.000 -0.025 0.000 0.910 580 D CB 0.983 41.814 40.800 0.051 0.000 1.590 580 D HN -0.185 nan 8.370 nan 0.000 0.551 581 F N 1.866 121.938 119.950 0.203 0.000 2.451 581 F HA 0.081 4.608 4.527 -0.000 0.000 0.299 581 F C 2.279 178.057 175.800 -0.037 0.000 1.101 581 F CA 0.868 58.909 58.000 0.069 0.000 1.436 581 F CB -0.223 38.680 39.000 -0.162 0.000 1.074 581 F HN 0.480 nan 8.300 nan 0.000 0.553 582 A N -1.407 121.546 122.820 0.221 0.000 2.220 582 A HA 0.133 4.453 4.320 -0.000 0.000 0.211 582 A C 0.879 178.565 177.584 0.171 0.000 1.176 582 A CA 0.269 52.380 52.037 0.123 0.000 0.834 582 A CB 0.084 19.130 19.000 0.077 0.000 0.868 582 A HN -0.081 nan 8.150 nan 0.000 0.488 583 K N 1.559 122.089 120.400 0.216 0.000 2.626 583 K HA 0.319 4.639 4.320 -0.000 0.000 0.223 583 K C -3.223 173.503 176.600 0.209 0.000 0.992 583 K CA -1.867 54.529 56.287 0.181 0.000 1.024 583 K CB 1.784 34.348 32.500 0.107 0.000 1.225 583 K HN 0.170 nan 8.250 nan 0.000 0.498 584 P HA 0.204 nan 4.420 nan 0.000 0.271 584 P C -0.615 176.769 177.300 0.139 0.000 1.218 584 P CA -0.041 63.156 63.100 0.163 0.000 0.780 584 P CB 1.335 33.119 31.700 0.140 0.000 0.901 585 E N 0.198 120.383 120.200 -0.025 0.000 2.366 585 E HA 0.528 4.878 4.350 -0.000 0.000 0.278 585 E C -0.738 175.497 176.600 -0.608 0.000 0.923 585 E CA -1.089 55.096 56.400 -0.359 0.000 0.761 585 E CB 2.484 32.070 29.700 -0.189 0.000 1.231 585 E HN 0.496 nan 8.360 nan 0.000 0.443 586 A N 2.690 124.838 122.820 -1.120 0.000 2.466 586 A HA 0.292 4.612 4.320 -0.000 0.000 0.238 586 A C -0.190 177.251 177.584 -0.240 0.000 1.074 586 A CA 0.061 51.659 52.037 -0.731 0.000 0.774 586 A CB 0.160 18.793 19.000 -0.612 0.000 1.015 586 A HN 0.513 nan 8.150 nan 0.000 0.498 587 L N 0.761 121.952 121.223 -0.053 0.000 2.357 587 L HA 0.317 4.657 4.340 -0.000 0.000 0.273 587 L C 0.433 177.316 176.870 0.022 0.000 1.080 587 L CA -0.683 54.179 54.840 0.037 0.000 0.803 587 L CB 1.149 43.304 42.059 0.160 0.000 1.174 587 L HN 0.815 nan 8.230 nan 0.000 0.443 588 Q N 4.268 124.082 119.800 0.024 0.000 2.281 588 Q HA 0.214 4.554 4.340 -0.000 0.000 0.267 588 Q C -2.358 173.671 176.000 0.049 0.000 1.053 588 Q CA -1.366 54.449 55.803 0.019 0.000 0.905 588 Q CB 0.816 29.559 28.738 0.008 0.000 1.195 588 Q HN 0.161 nan 8.270 nan 0.000 0.398 589 P HA -0.027 nan 4.420 nan 0.000 0.266 589 P C -0.708 176.625 177.300 0.054 0.000 1.195 589 P CA 0.328 63.461 63.100 0.055 0.000 0.768 589 P CB 0.519 32.243 31.700 0.041 0.000 0.838 590 D N -1.355 119.087 120.400 0.069 0.000 3.077 590 D HA -0.209 4.430 4.640 -0.000 0.000 0.217 590 D C 0.095 176.430 176.300 0.059 0.000 1.162 590 D CA 1.566 55.604 54.000 0.064 0.000 0.943 590 D CB -1.383 39.444 40.800 0.046 0.000 1.122 590 D HN 0.532 nan 8.370 nan 0.000 0.413 591 A N 0.413 123.271 122.820 0.063 0.000 2.290 591 A HA 0.528 4.848 4.320 -0.000 0.000 0.310 591 A C 0.514 178.137 177.584 0.065 0.000 1.202 591 A CA -0.177 51.887 52.037 0.046 0.000 0.837 591 A CB 0.906 19.924 19.000 0.030 0.000 1.139 591 A HN -0.014 nan 8.150 nan 0.000 0.509 592 T N 3.830 118.409 114.554 0.042 0.000 2.752 592 T HA 0.423 4.773 4.350 -0.000 0.000 0.295 592 T C -0.012 174.722 174.700 0.057 0.000 0.923 592 T CA 0.536 62.672 62.100 0.059 0.000 1.112 592 T CB -0.498 68.371 68.868 0.001 0.000 0.884 592 T HN 0.420 nan 8.240 nan 0.000 0.525 593 L N 2.574 123.825 121.223 0.046 0.000 2.330 593 L HA 0.461 4.801 4.340 -0.000 0.000 0.271 593 L C 0.442 177.177 176.870 -0.225 0.000 1.013 593 L CA -1.110 53.666 54.840 -0.105 0.000 0.816 593 L CB 1.652 43.584 42.059 -0.211 0.000 1.287 593 L HN 0.635 nan 8.230 nan 0.000 0.435 594 H N 1.407 120.182 119.070 -0.492 0.000 2.552 594 H HA 0.355 4.911 4.556 -0.000 0.000 0.311 594 H C -1.593 173.289 175.328 -0.743 0.000 1.071 594 H CA -0.511 55.121 56.048 -0.693 0.000 1.307 594 H CB 0.722 30.162 29.762 -0.537 0.000 1.416 594 H HN 0.403 nan 8.280 nan 0.000 0.464 595 Y N 3.077 123.052 120.300 -0.541 0.000 2.393 595 Y HA 0.217 4.767 4.550 -0.000 0.000 0.341 595 Y C -0.380 175.207 175.900 -0.522 0.000 0.988 595 Y CA -0.828 56.960 58.100 -0.520 0.000 1.078 595 Y CB 1.591 39.807 38.460 -0.406 0.000 1.203 595 Y HN 0.687 nan 8.280 nan 0.000 0.453 596 H N 4.360 123.182 119.070 -0.412 0.000 3.172 596 H HA 0.541 5.097 4.556 -0.000 0.000 0.322 596 H C -1.789 173.467 175.328 -0.120 0.000 1.003 596 H CA -1.117 54.710 56.048 -0.370 0.000 1.466 596 H CB 0.489 29.980 29.762 -0.451 0.000 1.673 596 H HN 0.507 nan 8.280 nan 0.000 0.512 597 F N 1.207 120.904 119.950 -0.422 0.000 2.641 597 F HA 0.491 5.018 4.527 -0.000 0.000 0.308 597 F C -0.675 175.078 175.800 -0.079 0.000 1.105 597 F CA -1.141 56.727 58.000 -0.220 0.000 0.964 597 F CB 0.894 39.665 39.000 -0.382 0.000 1.294 597 F HN 0.374 nan 8.300 nan 0.000 0.442 598 T N 1.346 116.073 114.554 0.289 0.000 2.907 598 T HA 0.642 4.992 4.350 -0.000 0.000 0.298 598 T C -0.312 174.621 174.700 0.388 0.000 1.017 598 T CA -0.500 61.739 62.100 0.231 0.000 1.118 598 T CB 0.975 70.000 68.868 0.260 0.000 0.948 598 T HN 0.710 nan 8.240 nan 0.000 0.531 599 L N 2.479 123.820 121.223 0.197 0.000 2.331 599 L HA 0.544 4.883 4.340 -0.000 0.000 0.268 599 L C -2.211 174.763 176.870 0.172 0.000 1.015 599 L CA -3.169 51.813 54.840 0.237 0.000 0.807 599 L CB 1.294 43.429 42.059 0.127 0.000 1.293 599 L HN 0.419 nan 8.230 nan 0.000 0.451 600 P HA 0.019 nan 4.420 nan 0.000 0.266 600 P C -0.725 176.586 177.300 0.019 0.000 1.195 600 P CA -0.163 62.989 63.100 0.086 0.000 0.768 600 P CB 0.449 32.193 31.700 0.073 0.000 0.838 601 A N 2.855 125.671 122.820 -0.007 0.000 2.520 601 A HA 0.394 4.714 4.320 -0.000 0.000 0.235 601 A C 0.260 177.811 177.584 -0.054 0.000 1.065 601 A CA 0.177 52.218 52.037 0.008 0.000 0.764 601 A CB -0.374 18.671 19.000 0.075 0.000 1.002 601 A HN 0.484 nan 8.150 nan 0.000 0.502 602 V N -0.494 119.421 119.914 0.001 0.000 2.876 602 V HA 0.826 4.946 4.120 -0.000 0.000 0.312 602 V C -0.676 175.433 176.094 0.025 0.000 1.085 602 V CA -0.861 61.410 62.300 -0.049 0.000 0.945 602 V CB 2.183 33.999 31.823 -0.012 0.000 1.017 602 V HN 0.891 nan 8.190 nan 0.000 0.428 603 N N 1.276 119.954 118.700 -0.036 0.000 2.707 603 N HA 0.456 5.196 4.740 -0.000 0.000 0.249 603 N C -1.212 174.287 175.510 -0.019 0.000 1.299 603 N CA -0.151 52.903 53.050 0.007 0.000 0.769 603 N CB 0.535 38.998 38.487 -0.040 0.000 1.236 603 N HN 1.120 nan 8.380 nan 0.000 0.524 604 H N -0.044 118.935 119.070 -0.152 0.000 2.949 604 H HA 0.775 5.331 4.556 -0.000 0.000 0.356 604 H C -1.423 173.751 175.328 -0.256 0.000 1.212 604 H CA -0.668 55.225 56.048 -0.258 0.000 1.136 604 H CB 1.723 31.249 29.762 -0.394 0.000 1.869 604 H HN -0.033 nan 8.280 nan 0.000 0.556 605 V N 2.939 122.292 119.914 -0.935 0.000 2.569 605 V HA 0.259 4.379 4.120 -0.000 0.000 0.301 605 V C -1.069 174.554 176.094 -0.784 0.000 1.044 605 V CA -0.647 61.308 62.300 -0.576 0.000 0.874 605 V CB 1.231 32.837 31.823 -0.362 0.000 1.002 605 V HN 0.575 nan 8.190 nan 0.000 0.424 606 F N 3.811 123.641 119.950 -0.200 0.000 2.368 606 F HA 0.685 5.212 4.527 -0.000 0.000 0.362 606 F C 0.948 176.622 175.800 -0.211 0.000 1.137 606 F CA -0.165 57.755 58.000 -0.133 0.000 1.161 606 F CB 0.959 40.008 39.000 0.082 0.000 1.265 606 F HN 0.596 nan 8.300 nan 0.000 0.530 607 A N 4.107 126.705 122.820 -0.370 0.000 2.280 607 A HA 0.404 4.724 4.320 -0.000 0.000 0.268 607 A C 0.322 177.924 177.584 0.031 0.000 1.111 607 A CA -0.819 51.082 52.037 -0.227 0.000 0.814 607 A CB 0.410 19.212 19.000 -0.329 0.000 1.093 607 A HN 0.681 nan 8.150 nan 0.000 0.498 608 K N -0.440 120.009 120.400 0.080 0.000 2.448 608 K HA 0.332 4.652 4.320 -0.000 0.000 0.278 608 K C 1.094 177.832 176.600 0.229 0.000 1.009 608 K CA 1.132 57.497 56.287 0.131 0.000 0.995 608 K CB 0.158 32.707 32.500 0.083 0.000 0.917 608 K HN 1.359 nan 8.250 nan 0.000 0.481 609 G N 1.685 110.601 108.800 0.193 0.000 2.241 609 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.244 609 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.244 609 G C 0.161 175.155 174.900 0.156 0.000 0.998 609 G CA -0.211 44.982 45.100 0.155 0.000 0.621 609 G HN 0.759 nan 8.290 nan 0.000 0.519 610 H N 0.216 119.349 119.070 0.105 0.000 2.490 610 H HA 0.687 5.243 4.556 -0.000 0.000 0.354 610 H C 0.559 175.964 175.328 0.129 0.000 1.365 610 H CA -0.142 55.991 56.048 0.142 0.000 1.413 610 H CB 0.815 30.706 29.762 0.215 0.000 1.631 610 H HN 0.244 nan 8.280 nan 0.000 0.607 611 R N 0.173 120.833 120.500 0.266 0.000 2.808 611 R HA 0.448 4.788 4.340 -0.000 0.000 0.272 611 R C -0.815 175.557 176.300 0.120 0.000 0.995 611 R CA -0.822 55.365 56.100 0.144 0.000 0.917 611 R CB 2.012 32.363 30.300 0.086 0.000 1.217 611 R HN 0.397 nan 8.270 nan 0.000 0.471 612 I N 2.162 122.698 120.570 -0.057 0.000 2.437 612 I HA 0.433 4.603 4.170 -0.000 0.000 0.298 612 I C -0.116 175.952 176.117 -0.082 0.000 0.984 612 I CA -0.454 60.707 61.300 -0.231 0.000 1.214 612 I CB 1.649 39.324 38.000 -0.543 0.000 1.365 612 I HN 0.421 nan 8.210 nan 0.000 0.469 613 M N 6.464 126.052 119.600 -0.019 0.000 2.446 613 M HA 0.636 5.116 4.480 -0.000 0.000 0.294 613 M C -2.119 174.206 176.300 0.042 0.000 1.158 613 M CA -0.568 54.751 55.300 0.031 0.000 0.899 613 M CB 2.263 34.904 32.600 0.069 0.000 1.687 613 M HN 0.303 nan 8.290 nan 0.000 0.455 614 V N 3.925 123.879 119.914 0.068 0.000 2.588 614 V HA 0.510 4.630 4.120 -0.000 0.000 0.304 614 V C -0.915 175.266 176.094 0.144 0.000 1.042 614 V CA -0.531 61.813 62.300 0.073 0.000 0.877 614 V CB 2.053 33.879 31.823 0.006 0.000 0.996 614 V HN 0.884 nan 8.190 nan 0.000 0.425 615 Q N 3.971 123.831 119.800 0.100 0.000 2.365 615 Q HA 0.738 5.078 4.340 -0.000 0.000 0.269 615 Q C -1.453 174.578 176.000 0.052 0.000 1.061 615 Q CA -0.603 55.249 55.803 0.082 0.000 0.816 615 Q CB 3.181 31.944 28.738 0.040 0.000 1.325 615 Q HN 0.642 nan 8.270 nan 0.000 0.446 616 I N 2.259 122.854 120.570 0.042 0.000 2.582 616 I HA 0.358 4.528 4.170 -0.000 0.000 0.292 616 I C -0.545 175.501 176.117 -0.118 0.000 1.066 616 I CA -0.532 60.790 61.300 0.037 0.000 1.053 616 I CB 2.026 40.125 38.000 0.164 0.000 1.241 616 I HN 0.629 nan 8.210 nan 0.000 0.421 617 Q N 2.793 122.556 119.800 -0.062 0.000 2.707 617 Q HA 0.573 4.913 4.340 -0.000 0.000 0.307 617 Q C -1.279 174.774 176.000 0.088 0.000 0.934 617 Q CA -0.895 54.842 55.803 -0.111 0.000 0.753 617 Q CB 2.008 30.659 28.738 -0.144 0.000 1.478 617 Q HN 0.406 nan 8.270 nan 0.000 0.458 618 S N -0.013 115.757 115.700 0.116 0.000 2.819 618 S HA 0.290 4.760 4.470 -0.000 0.000 0.249 618 S C -0.722 173.878 174.600 0.000 0.000 1.030 618 S CA 0.262 58.455 58.200 -0.013 0.000 1.052 618 S CB 0.564 63.704 63.200 -0.100 0.000 1.017 618 S HN 0.627 nan 8.310 nan 0.000 0.576 619 S N -0.071 115.675 115.700 0.078 0.000 2.570 619 S HA 0.771 5.241 4.470 -0.000 0.000 0.270 619 S C -2.081 172.724 174.600 0.342 0.000 1.149 619 S CA -0.688 57.624 58.200 0.187 0.000 0.837 619 S CB 1.753 65.057 63.200 0.172 0.000 1.124 619 S HN 0.240 nan 8.310 nan 0.000 0.465 620 W N 1.989 123.435 121.300 0.244 0.000 2.055 620 W HA 0.511 5.171 4.660 -0.000 0.000 0.291 620 W C -2.235 174.457 176.519 0.288 0.000 1.037 620 W CA -1.621 55.895 57.345 0.284 0.000 1.061 620 W CB 0.824 30.455 29.460 0.285 0.000 0.994 620 W HN 0.688 nan 8.180 nan 0.000 0.273 621 F N 5.765 125.897 119.950 0.304 0.000 2.507 621 F HA 0.668 5.195 4.527 -0.000 0.000 0.327 621 F C -1.278 174.660 175.800 0.229 0.000 1.068 621 F CA -2.564 55.510 58.000 0.123 0.000 0.965 621 F CB 1.979 41.010 39.000 0.051 0.000 1.192 621 F HN -0.066 nan 8.300 nan 0.000 0.476 622 P HA -0.003 nan 4.420 nan 0.000 0.261 622 P C 1.489 178.212 177.300 -0.961 0.000 1.268 622 P CA 0.322 62.557 63.100 -1.441 0.000 0.833 622 P CB 0.269 31.198 31.700 -1.284 0.000 1.231 623 L N -0.069 120.543 121.223 -1.020 0.000 2.021 623 L HA -0.092 4.248 4.340 -0.000 0.000 0.215 623 L C 0.347 176.587 176.870 -1.050 0.000 1.074 623 L CA 1.791 55.907 54.840 -1.207 0.000 0.760 623 L CB -1.369 39.486 42.059 -2.005 0.000 0.889 623 L HN -0.120 nan 8.230 nan 0.000 0.433 624 Y N 0.579 120.603 120.300 -0.459 0.000 2.361 624 Y HA 0.330 4.880 4.550 -0.000 0.000 0.332 624 Y C 0.184 176.061 175.900 -0.038 0.000 1.101 624 Y CA -1.823 56.148 58.100 -0.216 0.000 1.137 624 Y CB 0.465 38.915 38.460 -0.017 0.000 1.207 624 Y HN 0.221 nan 8.280 nan 0.000 0.463 625 D N 1.999 122.528 120.400 0.215 0.000 2.382 625 D HA 0.081 4.721 4.640 -0.000 0.000 0.240 625 D C -0.381 176.144 176.300 0.375 0.000 1.146 625 D CA -0.452 53.757 54.000 0.349 0.000 0.897 625 D CB 0.694 41.757 40.800 0.437 0.000 1.197 625 D HN 0.470 nan 8.370 nan 0.000 0.432 626 R N 1.068 121.809 120.500 0.402 0.000 2.543 626 R HA 0.124 4.464 4.340 -0.000 0.000 0.277 626 R C 0.579 177.031 176.300 0.253 0.000 1.074 626 R CA -0.499 55.769 56.100 0.280 0.000 1.076 626 R CB 0.298 30.695 30.300 0.160 0.000 0.993 626 R HN 0.465 nan 8.270 nan 0.000 0.459 627 N N 3.443 122.230 118.700 0.145 0.000 2.422 627 N HA 0.085 4.825 4.740 -0.000 0.000 0.264 627 N C -1.931 173.611 175.510 0.055 0.000 1.063 627 N CA -1.926 51.159 53.050 0.058 0.000 0.959 627 N CB 1.446 39.920 38.487 -0.021 0.000 1.087 627 N HN 0.253 nan 8.380 nan 0.000 0.483 628 P HA -0.069 nan 4.420 nan 0.000 0.222 628 P C -0.335 176.914 177.300 -0.085 0.000 1.147 628 P CA 0.976 63.946 63.100 -0.216 0.000 0.790 628 P CB 0.221 31.580 31.700 -0.568 0.000 0.780 629 Q N -2.884 116.879 119.800 -0.062 0.000 2.493 629 Q HA -0.201 4.139 4.340 -0.000 0.000 0.260 629 Q C 0.096 176.088 176.000 -0.013 0.000 0.905 629 Q CA 0.810 56.592 55.803 -0.035 0.000 1.140 629 Q CB -1.721 27.001 28.738 -0.026 0.000 1.435 629 Q HN 0.322 nan 8.270 nan 0.000 0.581 630 K N 0.243 120.625 120.400 -0.030 0.000 2.513 630 K HA 0.424 4.744 4.320 -0.000 0.000 0.251 630 K C -1.243 175.368 176.600 0.019 0.000 0.939 630 K CA -0.770 55.520 56.287 0.004 0.000 0.793 630 K CB 1.024 33.502 32.500 -0.037 0.000 1.241 630 K HN -0.006 nan 8.250 nan 0.000 0.431 631 F N 5.479 125.398 119.950 -0.051 0.000 2.541 631 F HA 0.216 4.743 4.527 -0.000 0.000 0.378 631 F C -0.393 175.374 175.800 -0.055 0.000 1.068 631 F CA 0.161 58.129 58.000 -0.054 0.000 1.199 631 F CB 0.548 39.526 39.000 -0.036 0.000 1.091 631 F HN 0.226 nan 8.300 nan 0.000 0.555 632 V N 4.884 124.416 119.914 -0.637 0.000 2.914 632 V HA 0.519 4.639 4.120 -0.000 0.000 0.314 632 V C -2.194 173.477 176.094 -0.706 0.000 1.084 632 V CA -1.931 60.084 62.300 -0.474 0.000 0.963 632 V CB 1.480 33.136 31.823 -0.279 0.000 1.025 632 V HN 0.526 nan 8.190 nan 0.000 0.432 633 P HA -0.097 nan 4.420 nan 0.000 0.215 633 P C 0.182 177.330 177.300 -0.254 0.000 1.157 633 P CA 1.536 64.457 63.100 -0.298 0.000 0.874 633 P CB 0.107 31.735 31.700 -0.120 0.000 0.790 634 N N -1.300 117.284 118.700 -0.194 0.000 2.480 634 N HA 0.178 4.918 4.740 -0.000 0.000 0.289 634 N C 0.559 175.999 175.510 -0.117 0.000 1.073 634 N CA -0.402 52.568 53.050 -0.135 0.000 0.885 634 N CB 0.860 39.294 38.487 -0.088 0.000 1.421 634 N HN -0.204 nan 8.380 nan 0.000 0.503 635 I N 2.356 122.825 120.570 -0.168 0.000 2.454 635 I HA -0.198 3.972 4.170 -0.000 0.000 0.254 635 I C 1.393 177.519 176.117 0.014 0.000 1.156 635 I CA 0.998 62.224 61.300 -0.124 0.000 1.433 635 I CB -0.129 37.786 38.000 -0.141 0.000 1.082 635 I HN 0.490 nan 8.210 nan 0.000 0.432 636 F N 1.025 121.037 119.950 0.103 0.000 2.161 636 F HA -0.253 4.274 4.527 -0.000 0.000 0.300 636 F C 1.609 177.548 175.800 0.231 0.000 1.089 636 F CA 0.936 59.056 58.000 0.200 0.000 1.282 636 F CB -0.149 38.951 39.000 0.167 0.000 1.010 636 F HN 0.127 nan 8.300 nan 0.000 0.485 637 D N 0.417 121.009 120.400 0.320 0.000 2.395 637 D HA 0.190 4.830 4.640 -0.000 0.000 0.226 637 D C 0.530 176.919 176.300 0.149 0.000 1.146 637 D CA 0.132 54.281 54.000 0.249 0.000 0.830 637 D CB -0.303 40.619 40.800 0.204 0.000 0.958 637 D HN 0.037 nan 8.370 nan 0.000 0.501 638 A N 0.866 123.761 122.820 0.124 0.000 2.498 638 A HA 0.156 4.476 4.320 -0.000 0.000 0.239 638 A C 0.641 178.304 177.584 0.132 0.000 1.068 638 A CA 0.201 52.248 52.037 0.018 0.000 0.766 638 A CB 0.529 19.436 19.000 -0.156 0.000 1.003 638 A HN -0.008 nan 8.150 nan 0.000 0.497 639 K N 2.462 122.907 120.400 0.074 0.000 2.123 639 K HA 0.379 4.699 4.320 -0.000 0.000 0.248 639 K C -1.967 174.777 176.600 0.240 0.000 0.969 639 K CA -1.861 54.514 56.287 0.146 0.000 0.882 639 K CB 0.986 33.534 32.500 0.080 0.000 1.080 639 K HN 0.291 nan 8.250 nan 0.000 0.441 640 P HA -0.250 nan 4.420 nan 0.000 0.216 640 P C 0.725 178.173 177.300 0.246 0.000 1.154 640 P CA 1.413 64.671 63.100 0.264 0.000 0.865 640 P CB 0.109 31.884 31.700 0.125 0.000 0.789 641 A N -0.680 122.222 122.820 0.137 0.000 2.119 641 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 641 A C 1.736 179.356 177.584 0.060 0.000 1.153 641 A CA 1.466 53.557 52.037 0.090 0.000 0.692 641 A CB -1.016 18.017 19.000 0.056 0.000 0.799 641 A HN 0.089 nan 8.150 nan 0.000 0.458 642 D N -1.306 119.103 120.400 0.015 0.000 2.277 642 D HA 0.004 4.644 4.640 -0.000 0.000 0.208 642 D C -0.343 175.844 176.300 -0.187 0.000 0.962 642 D CA 0.501 54.428 54.000 -0.121 0.000 0.865 642 D CB -0.213 40.436 40.800 -0.251 0.000 0.939 642 D HN 0.543 nan 8.370 nan 0.000 0.510 643 Y N 1.160 121.466 120.300 0.010 0.000 2.537 643 Y HA 0.169 4.718 4.550 -0.000 0.000 0.339 643 Y C 0.725 176.625 175.900 0.001 0.000 1.066 643 Y CA 0.177 58.277 58.100 0.000 0.000 1.357 643 Y CB 0.488 38.941 38.460 -0.011 0.000 1.175 643 Y HN -0.344 nan 8.280 nan 0.000 0.525 644 T N 3.121 117.729 114.554 0.091 0.000 2.861 644 T HA 0.418 4.768 4.350 -0.000 0.000 0.287 644 T C -0.362 174.372 174.700 0.057 0.000 1.003 644 T CA -0.863 61.275 62.100 0.063 0.000 0.977 644 T CB 1.332 70.218 68.868 0.029 0.000 0.996 644 T HN 0.222 nan 8.240 nan 0.000 0.448 645 V N 2.288 122.236 119.914 0.057 0.000 2.740 645 V HA 0.598 4.718 4.120 -0.000 0.000 0.303 645 V C 0.500 176.613 176.094 0.033 0.000 1.054 645 V CA -0.129 62.201 62.300 0.051 0.000 1.106 645 V CB 0.610 32.468 31.823 0.058 0.000 0.957 645 V HN 1.151 nan 8.190 nan 0.000 0.486 646 A N 3.398 126.229 122.820 0.017 0.000 2.539 646 A HA 0.760 5.080 4.320 -0.000 0.000 0.296 646 A C -0.360 177.209 177.584 -0.025 0.000 1.073 646 A CA -0.606 51.430 52.037 -0.001 0.000 0.700 646 A CB 1.812 20.802 19.000 -0.016 0.000 1.296 646 A HN 0.667 nan 8.150 nan 0.000 0.405 647 T N 2.789 117.331 114.554 -0.020 0.000 2.767 647 T HA 0.510 4.860 4.350 -0.000 0.000 0.288 647 T C -0.527 174.126 174.700 -0.077 0.000 0.963 647 T CA -0.310 61.764 62.100 -0.044 0.000 1.019 647 T CB 0.799 69.667 68.868 0.001 0.000 0.923 647 T HN 0.555 nan 8.240 nan 0.000 0.468 648 Q N 1.774 121.433 119.800 -0.234 0.000 2.274 648 Q HA 0.600 4.940 4.340 -0.000 0.000 0.260 648 Q C -0.787 175.154 176.000 -0.098 0.000 0.974 648 Q CA -0.648 55.030 55.803 -0.208 0.000 0.876 648 Q CB 2.151 30.479 28.738 -0.684 0.000 1.297 648 Q HN 0.549 nan 8.270 nan 0.000 0.446 649 S N 1.956 117.714 115.700 0.096 0.000 2.647 649 S HA 0.534 5.004 4.470 -0.000 0.000 0.300 649 S C -0.419 174.284 174.600 0.172 0.000 1.129 649 S CA -0.569 57.712 58.200 0.136 0.000 1.029 649 S CB 0.633 63.902 63.200 0.115 0.000 1.007 649 S HN 0.367 nan 8.310 nan 0.000 0.484 650 I N 3.089 123.794 120.570 0.225 0.000 2.312 650 I HA 0.299 4.469 4.170 -0.000 0.000 0.290 650 I C 0.278 176.504 176.117 0.180 0.000 1.008 650 I CA -0.335 61.086 61.300 0.201 0.000 1.226 650 I CB 0.464 38.623 38.000 0.264 0.000 1.371 650 I HN 0.626 nan 8.210 nan 0.000 0.468 651 H N 5.448 124.558 119.070 0.066 0.000 2.582 651 H HA 0.512 5.068 4.556 -0.000 0.000 0.345 651 H C -0.671 174.654 175.328 -0.006 0.000 1.104 651 H CA 0.011 56.041 56.048 -0.029 0.000 1.390 651 H CB 0.506 30.243 29.762 -0.041 0.000 1.461 651 H HN 0.741 nan 8.280 nan 0.000 0.551 652 H N 1.581 120.465 119.070 -0.310 0.000 2.851 652 H HA 0.596 5.152 4.556 -0.000 0.000 0.372 652 H C 0.082 175.289 175.328 -0.203 0.000 1.158 652 H CA -0.766 55.179 56.048 -0.171 0.000 1.159 652 H CB 1.178 30.844 29.762 -0.159 0.000 1.757 652 H HN 1.001 nan 8.280 nan 0.000 0.546 653 G N 0.141 108.939 108.800 -0.002 0.000 2.781 653 G HA2 0.334 4.294 3.960 -0.000 0.000 0.683 653 G HA3 0.334 4.294 3.960 -0.000 0.000 0.683 653 G C 0.469 175.387 174.900 0.031 0.000 1.390 653 G CA 0.328 45.408 45.100 -0.033 0.000 0.850 653 G HN 2.225 nan 8.290 nan 0.000 0.557 654 G N -0.189 108.674 108.800 0.106 0.000 2.552 654 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.265 654 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.265 654 G C 0.927 175.847 174.900 0.034 0.000 1.234 654 G CA 1.032 46.168 45.100 0.059 0.000 0.944 654 G HN 1.595 nan 8.290 nan 0.000 0.568 655 K N 0.895 121.222 120.400 -0.121 0.000 2.486 655 K HA 0.113 4.433 4.320 -0.000 0.000 0.194 655 K C 1.138 177.421 176.600 -0.530 0.000 1.033 655 K CA 1.206 57.361 56.287 -0.220 0.000 1.004 655 K CB 0.201 32.578 32.500 -0.205 0.000 0.798 655 K HN 0.539 nan 8.250 nan 0.000 0.495 656 E N 0.733 120.535 120.200 -0.664 0.000 3.167 656 E HA 0.172 4.522 4.350 -0.000 0.000 0.210 656 E C -1.042 175.072 176.600 -0.810 0.000 1.004 656 E CA -0.370 55.162 56.400 -1.446 0.000 1.256 656 E CB 1.147 30.161 29.700 -1.143 0.000 1.193 656 E HN 0.147 nan 8.360 nan 0.000 0.448 657 A N 1.477 124.042 122.820 -0.425 0.000 2.655 657 A HA 0.107 4.427 4.320 -0.000 0.000 0.297 657 A C 0.528 178.226 177.584 0.190 0.000 1.461 657 A CA -0.020 51.972 52.037 -0.076 0.000 1.146 657 A CB -0.430 18.386 19.000 -0.305 0.000 1.108 657 A HN 0.080 nan 8.150 nan 0.000 0.550 658 T N 2.547 117.255 114.554 0.258 0.000 2.934 658 T HA 0.387 4.737 4.350 -0.000 0.000 0.306 658 T C 0.703 175.444 174.700 0.067 0.000 1.042 658 T CA 1.053 63.294 62.100 0.235 0.000 1.145 658 T CB 0.145 69.079 68.868 0.110 0.000 0.982 658 T HN 1.240 nan 8.240 nan 0.000 0.544 659 S N 2.053 117.738 115.700 -0.026 0.000 2.611 659 S HA 0.648 5.118 4.470 -0.000 0.000 0.268 659 S C -1.630 172.845 174.600 -0.209 0.000 1.156 659 S CA -1.108 56.981 58.200 -0.186 0.000 0.817 659 S CB 1.225 64.192 63.200 -0.389 0.000 1.122 659 S HN 0.424 nan 8.310 nan 0.000 0.466 660 I N 2.044 122.466 120.570 -0.246 0.000 2.362 660 I HA 0.334 4.504 4.170 -0.000 0.000 0.289 660 I C -0.589 175.407 176.117 -0.202 0.000 0.994 660 I CA -0.724 60.447 61.300 -0.214 0.000 1.158 660 I CB 1.328 39.223 38.000 -0.176 0.000 1.315 660 I HN 0.670 nan 8.210 nan 0.000 0.451 661 L N 7.019 128.136 121.223 -0.177 0.000 2.407 661 L HA 0.306 4.645 4.340 -0.000 0.000 0.282 661 L C -0.002 176.816 176.870 -0.086 0.000 1.110 661 L CA -0.161 54.603 54.840 -0.127 0.000 0.863 661 L CB 0.027 42.026 42.059 -0.099 0.000 1.207 661 L HN 0.336 nan 8.230 nan 0.000 0.454 662 L N 6.409 127.607 121.223 -0.042 0.000 2.312 662 L HA 0.367 4.707 4.340 -0.000 0.000 0.281 662 L C -1.816 175.062 176.870 0.012 0.000 1.070 662 L CA -1.741 53.105 54.840 0.011 0.000 0.805 662 L CB 1.474 43.581 42.059 0.080 0.000 1.174 662 L HN 0.361 nan 8.230 nan 0.000 0.434 663 P HA 0.095 nan 4.420 nan 0.000 0.231 663 P C -0.381 176.919 177.300 -0.000 0.000 1.811 663 P CA -0.136 62.944 63.100 -0.032 0.000 1.051 663 P CB 0.236 31.893 31.700 -0.073 0.000 1.951 664 V N 3.909 123.829 119.914 0.010 0.000 2.555 664 V HA 0.157 4.277 4.120 -0.000 0.000 0.286 664 V C 1.051 177.131 176.094 -0.023 0.000 1.044 664 V CA -0.027 62.279 62.300 0.011 0.000 1.026 664 V CB 1.287 33.095 31.823 -0.026 0.000 0.981 664 V HN 0.314 nan 8.190 nan 0.000 0.480 665 V N 2.717 122.625 119.914 -0.010 0.000 3.074 665 V HA 0.700 4.820 4.120 -0.000 0.000 0.314 665 V C -0.360 175.728 176.094 -0.011 0.000 1.117 665 V CA -1.238 61.051 62.300 -0.017 0.000 1.014 665 V CB 1.877 33.693 31.823 -0.012 0.000 1.057 665 V HN 0.723 nan 8.190 nan 0.000 0.438 666 K N 0.000 120.395 120.400 -0.009 0.000 2.780 666 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 666 K CA 0.000 56.283 56.287 -0.006 0.000 0.838 666 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543