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_J 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 0.000 0.000 1.023 50 H CB 0.000 29.762 29.762 0.000 0.000 1.292 51 D N 4.286 124.695 120.400 0.014 0.000 2.358 51 D HA 0.138 4.777 4.640 -0.000 0.000 0.258 51 D C -1.223 175.057 176.300 -0.034 0.000 1.223 51 D CA -2.026 51.955 54.000 -0.032 0.000 0.886 51 D CB 1.338 42.138 40.800 -0.001 0.000 1.120 51 D HN 0.280 nan 8.370 nan 0.000 0.482 52 P HA -0.078 nan 4.420 nan 0.000 0.221 52 P C 1.422 178.715 177.300 -0.011 0.000 1.150 52 P CA 0.601 63.672 63.100 -0.048 0.000 0.800 52 P CB 0.289 31.945 31.700 -0.075 0.000 0.787 53 L N -1.340 119.875 121.223 -0.013 0.000 2.610 53 L HA 0.049 4.389 4.340 -0.000 0.000 0.232 53 L C 1.855 178.728 176.870 0.005 0.000 1.149 53 L CA 0.690 55.528 54.840 -0.004 0.000 0.872 53 L CB -0.340 41.715 42.059 -0.007 0.000 0.992 53 L HN -0.006 nan 8.230 nan 0.000 0.447 54 S N -1.950 113.758 115.700 0.012 0.000 3.056 54 S HA 0.168 4.638 4.470 -0.000 0.000 0.255 54 S C 0.432 175.050 174.600 0.031 0.000 1.079 54 S CA -0.221 57.991 58.200 0.019 0.000 0.810 54 S CB 1.009 64.220 63.200 0.019 0.000 0.810 54 S HN -0.055 nan 8.310 nan 0.000 0.477 55 V N 3.311 123.256 119.914 0.051 0.000 2.350 55 V HA 0.548 4.668 4.120 -0.000 0.000 0.276 55 V C -0.540 175.609 176.094 0.092 0.000 1.028 55 V CA -0.430 61.915 62.300 0.075 0.000 0.860 55 V CB 1.191 33.084 31.823 0.116 0.000 0.990 55 V HN 0.271 nan 8.190 nan 0.000 0.453 56 Q N 3.430 123.268 119.800 0.063 0.000 2.394 56 Q HA 0.380 4.720 4.340 -0.000 0.000 0.259 56 Q C 0.626 176.656 176.000 0.050 0.000 1.021 56 Q CA -0.087 55.752 55.803 0.059 0.000 0.805 56 Q CB 1.553 30.311 28.738 0.035 0.000 1.226 56 Q HN 0.869 nan 8.270 nan 0.000 0.476 57 T N -0.070 114.524 114.554 0.066 0.000 3.069 57 T HA 0.420 4.770 4.350 -0.000 0.000 0.252 57 T C 0.760 175.477 174.700 0.028 0.000 1.053 57 T CA 0.217 62.333 62.100 0.028 0.000 0.964 57 T CB 0.550 69.413 68.868 -0.009 0.000 1.005 57 T HN 0.452 nan 8.240 nan 0.000 0.532 58 G N 0.935 109.759 108.800 0.039 0.000 3.019 58 G HA2 0.561 4.521 3.960 -0.000 0.000 0.152 58 G HA3 0.561 4.521 3.960 -0.000 0.000 0.152 58 G C -0.952 173.960 174.900 0.021 0.000 1.320 58 G CA -0.599 44.519 45.100 0.029 0.000 1.013 58 G HN 0.319 nan 8.290 nan 0.000 0.593 59 S N -0.956 114.755 115.700 0.018 0.000 2.472 59 S HA 0.390 4.860 4.470 -0.000 0.000 0.303 59 S C -0.019 174.589 174.600 0.013 0.000 1.099 59 S CA -0.580 57.628 58.200 0.013 0.000 1.077 59 S CB 1.577 64.784 63.200 0.011 0.000 1.031 59 S HN 0.339 nan 8.310 nan 0.000 0.487 60 D N 2.694 123.100 120.400 0.011 0.000 2.363 60 D HA 0.144 4.784 4.640 -0.000 0.000 0.220 60 D C 0.139 176.444 176.300 0.008 0.000 0.994 60 D CA 0.674 54.680 54.000 0.010 0.000 0.890 60 D CB 0.026 40.831 40.800 0.009 0.000 0.906 60 D HN 0.530 nan 8.370 nan 0.000 0.530 61 I N 3.005 123.580 120.570 0.008 0.000 2.301 61 I HA 0.139 4.309 4.170 -0.000 0.000 0.292 61 I C -1.524 174.598 176.117 0.008 0.000 1.046 61 I CA -1.676 59.628 61.300 0.007 0.000 1.282 61 I CB 0.847 38.852 38.000 0.007 0.000 1.409 61 I HN -0.196 nan 8.210 nan 0.000 0.484 73 R N 2.238 122.669 120.500 -0.115 0.000 2.738 73 R HA 0.017 4.357 4.340 -0.000 0.000 0.268 73 R C 0.238 176.469 176.300 -0.116 0.000 1.062 73 R CA 0.897 56.888 56.100 -0.182 0.000 1.158 73 R CB 0.208 30.205 30.300 -0.505 0.000 1.046 73 R HN 0.153 nan 8.270 nan 0.000 0.493 74 D N 0.759 121.158 120.400 -0.003 0.000 2.427 74 D HA 0.030 4.670 4.640 -0.000 0.000 0.224 74 D C -0.545 175.861 176.300 0.176 0.000 1.157 74 D CA -0.133 53.916 54.000 0.081 0.000 0.828 74 D CB -0.141 40.726 40.800 0.112 0.000 0.974 74 D HN 0.499 nan 8.370 nan 0.000 0.498 75 Y N -1.398 118.916 120.300 0.024 0.000 2.725 75 Y HA 0.581 5.131 4.550 -0.000 0.000 0.333 75 Y C -1.384 174.532 175.900 0.027 0.000 1.242 75 Y CA -1.861 56.256 58.100 0.028 0.000 1.059 75 Y CB 0.989 39.470 38.460 0.036 0.000 1.306 75 Y HN -0.053 nan 8.280 nan 0.000 0.454 76 I N 0.040 120.725 120.570 0.191 0.000 2.647 76 I HA 0.670 4.840 4.170 -0.000 0.000 0.295 76 I C -1.562 174.699 176.117 0.240 0.000 1.078 76 I CA -1.061 60.295 61.300 0.093 0.000 1.048 76 I CB 2.386 40.412 38.000 0.043 0.000 1.239 76 I HN 0.769 nan 8.210 nan 0.000 0.421 77 K N 5.669 126.187 120.400 0.196 0.000 2.323 77 K HA 0.585 4.905 4.320 -0.000 0.000 0.259 77 K C -1.037 175.630 176.600 0.111 0.000 0.947 77 K CA -0.688 55.716 56.287 0.195 0.000 0.819 77 K CB 1.765 34.413 32.500 0.246 0.000 1.109 77 K HN 0.742 nan 8.250 nan 0.000 0.429 78 R N 2.609 123.161 120.500 0.086 0.000 2.589 78 R HA 0.280 4.620 4.340 -0.000 0.000 0.293 78 R C -0.888 175.413 176.300 0.002 0.000 0.963 78 R CA -0.734 55.400 56.100 0.057 0.000 0.905 78 R CB 1.891 32.235 30.300 0.074 0.000 1.144 78 R HN 0.584 nan 8.270 nan 0.000 0.459 79 E N 2.129 122.317 120.200 -0.020 0.000 2.185 79 E HA 0.347 4.697 4.350 -0.000 0.000 0.261 79 E C -1.019 175.503 176.600 -0.129 0.000 0.879 79 E CA -0.612 55.706 56.400 -0.137 0.000 0.756 79 E CB 2.145 31.842 29.700 -0.005 0.000 1.152 79 E HN 0.163 nan 8.360 nan 0.000 0.416 80 V N 2.241 122.007 119.914 -0.247 0.000 3.074 80 V HA 0.462 4.582 4.120 -0.000 0.000 0.314 80 V C -0.335 175.592 176.094 -0.278 0.000 1.117 80 V CA -1.108 61.071 62.300 -0.202 0.000 1.014 80 V CB 2.145 33.822 31.823 -0.244 0.000 1.057 80 V HN 0.677 nan 8.190 nan 0.000 0.438 81 M N 2.434 121.913 119.600 -0.202 0.000 2.036 81 M HA 0.410 4.889 4.480 -0.000 0.000 0.337 81 M C -0.825 175.295 176.300 -0.300 0.000 1.012 81 M CA -0.371 54.831 55.300 -0.164 0.000 0.962 81 M CB 1.025 33.603 32.600 -0.037 0.000 1.423 81 M HN 0.401 nan 8.290 nan 0.000 0.405 82 V N 7.147 126.793 119.914 -0.446 0.000 2.432 82 V HA 0.279 4.399 4.120 -0.000 0.000 0.271 82 V C -1.824 174.106 176.094 -0.273 0.000 1.046 82 V CA -1.195 60.723 62.300 -0.637 0.000 0.945 82 V CB 0.831 32.195 31.823 -0.765 0.000 0.992 82 V HN 0.552 nan 8.190 nan 0.000 0.471 83 P HA 0.275 nan 4.420 nan 0.000 0.275 83 P C -0.617 176.695 177.300 0.019 0.000 1.227 83 P CA -0.381 62.703 63.100 -0.026 0.000 0.781 83 P CB 0.871 32.590 31.700 0.032 0.000 0.906 84 M N 2.508 122.132 119.600 0.040 0.000 2.494 84 M HA 0.273 4.753 4.480 -0.000 0.000 0.300 84 M C 2.072 178.418 176.300 0.076 0.000 1.189 84 M CA -0.776 54.567 55.300 0.072 0.000 0.982 84 M CB 0.759 33.400 32.600 0.069 0.000 1.534 84 M HN 0.411 nan 8.290 nan 0.000 0.488 85 R N 0.718 121.269 120.500 0.084 0.000 2.170 85 R HA -0.182 4.157 4.340 -0.000 0.000 0.242 85 R C 0.453 176.779 176.300 0.043 0.000 1.145 85 R CA 2.072 58.210 56.100 0.063 0.000 0.984 85 R CB -0.612 29.713 30.300 0.041 0.000 0.869 85 R HN 0.683 nan 8.270 nan 0.000 0.455 86 D N -1.011 119.415 120.400 0.042 0.000 2.349 86 D HA 0.103 4.743 4.640 -0.000 0.000 0.214 86 D C 1.164 177.486 176.300 0.037 0.000 1.063 86 D CA 0.577 54.598 54.000 0.035 0.000 0.847 86 D CB 0.562 41.383 40.800 0.035 0.000 0.933 86 D HN 0.447 nan 8.370 nan 0.000 0.513 87 G N -0.248 108.576 108.800 0.041 0.000 2.232 87 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.226 87 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.226 87 G C 0.192 175.113 174.900 0.035 0.000 0.996 87 G CA 0.055 45.178 45.100 0.037 0.000 0.626 87 G HN 0.351 nan 8.290 nan 0.000 0.509 88 V N 2.251 122.189 119.914 0.039 0.000 2.572 88 V HA 0.334 4.454 4.120 -0.000 0.000 0.291 88 V C 0.689 176.801 176.094 0.030 0.000 1.039 88 V CA 0.423 62.747 62.300 0.039 0.000 1.055 88 V CB 1.202 33.055 31.823 0.051 0.000 0.969 88 V HN 0.342 nan 8.190 nan 0.000 0.482 89 K N 6.130 126.545 120.400 0.024 0.000 2.185 89 K HA 0.615 4.935 4.320 -0.000 0.000 0.269 89 K C -0.998 175.613 176.600 0.017 0.000 0.987 89 K CA -0.451 55.837 56.287 0.001 0.000 0.865 89 K CB 1.465 33.964 32.500 -0.002 0.000 1.090 89 K HN 0.495 nan 8.250 nan 0.000 0.450 90 L N 3.325 124.542 121.223 -0.010 0.000 2.307 90 L HA 0.327 4.667 4.340 -0.000 0.000 0.284 90 L C -0.364 176.515 176.870 0.015 0.000 1.023 90 L CA -1.194 53.662 54.840 0.028 0.000 0.810 90 L CB 0.599 42.672 42.059 0.024 0.000 1.231 90 L HN 0.568 nan 8.230 nan 0.000 0.423 91 Y N 2.734 123.018 120.300 -0.026 0.000 2.605 91 Y HA 0.129 4.679 4.550 -0.000 0.000 0.336 91 Y C -0.133 175.752 175.900 -0.026 0.000 1.111 91 Y CA 0.229 58.313 58.100 -0.026 0.000 1.422 91 Y CB 0.520 38.986 38.460 0.010 0.000 1.193 91 Y HN 0.490 nan 8.280 nan 0.000 0.526 92 T N 6.401 120.607 114.554 -0.580 0.000 2.824 92 T HA 0.512 4.862 4.350 -0.000 0.000 0.282 92 T C -1.108 173.292 174.700 -0.500 0.000 0.993 92 T CA -0.703 61.150 62.100 -0.412 0.000 0.967 92 T CB 1.259 69.928 68.868 -0.331 0.000 0.960 92 T HN 0.370 nan 8.240 nan 0.000 0.441 93 V N 4.377 124.145 119.914 -0.244 0.000 2.417 93 V HA 0.548 4.668 4.120 -0.000 0.000 0.291 93 V C -0.552 175.546 176.094 0.007 0.000 1.024 93 V CA -0.807 61.423 62.300 -0.117 0.000 0.861 93 V CB 1.153 32.989 31.823 0.022 0.000 0.985 93 V HN 0.762 nan 8.190 nan 0.000 0.436 94 I N 5.157 125.739 120.570 0.019 0.000 2.389 94 I HA 0.468 4.638 4.170 -0.000 0.000 0.288 94 I C -0.352 175.817 176.117 0.086 0.000 0.999 94 I CA -0.483 60.852 61.300 0.058 0.000 1.129 94 I CB 1.978 40.023 38.000 0.074 0.000 1.288 94 I HN 0.285 nan 8.210 nan 0.000 0.444 95 V N 7.411 127.378 119.914 0.087 0.000 2.347 95 V HA 0.484 4.604 4.120 -0.000 0.000 0.280 95 V C 0.008 176.159 176.094 0.094 0.000 1.021 95 V CA -0.418 61.940 62.300 0.097 0.000 0.847 95 V CB 1.127 32.966 31.823 0.027 0.000 0.990 95 V HN 0.484 nan 8.190 nan 0.000 0.444 96 I N 7.185 127.834 120.570 0.133 0.000 2.406 96 I HA 0.430 4.600 4.170 -0.000 0.000 0.290 96 I C -2.457 173.743 176.117 0.139 0.000 0.999 96 I CA -2.272 59.092 61.300 0.108 0.000 1.124 96 I CB 2.545 40.594 38.000 0.083 0.000 1.289 96 I HN 0.393 nan 8.210 nan 0.000 0.441 97 P HA 0.097 nan 4.420 nan 0.000 0.268 97 P C -0.704 176.650 177.300 0.090 0.000 1.205 97 P CA -0.389 62.782 63.100 0.119 0.000 0.771 97 P CB 0.496 32.248 31.700 0.086 0.000 0.858 98 K N 2.325 122.777 120.400 0.086 0.000 2.469 98 K HA -0.036 4.284 4.320 -0.000 0.000 0.274 98 K C 0.532 177.151 176.600 0.032 0.000 0.983 98 K CA 0.584 56.899 56.287 0.047 0.000 0.974 98 K CB -0.522 31.995 32.500 0.029 0.000 0.913 98 K HN 0.446 nan 8.250 nan 0.000 0.493 99 N N -0.385 118.326 118.700 0.018 0.000 2.714 99 N HA -0.251 4.489 4.740 -0.000 0.000 0.250 99 N C -1.171 174.343 175.510 0.007 0.000 1.117 99 N CA 0.549 53.604 53.050 0.009 0.000 0.719 99 N CB -0.644 37.847 38.487 0.007 0.000 1.081 99 N HN 0.622 nan 8.380 nan 0.000 0.557 100 A N 0.731 123.558 122.820 0.011 0.000 2.409 100 A HA 0.578 4.898 4.320 -0.000 0.000 0.262 100 A C 0.538 178.114 177.584 -0.014 0.000 1.113 100 A CA 0.179 52.218 52.037 0.002 0.000 0.790 100 A CB 0.584 19.591 19.000 0.012 0.000 1.046 100 A HN 0.352 nan 8.150 nan 0.000 0.496 101 R N 1.958 122.442 120.500 -0.026 0.000 2.533 101 R HA 0.370 4.710 4.340 -0.000 0.000 0.288 101 R C -0.629 175.641 176.300 -0.051 0.000 1.039 101 R CA -0.348 55.730 56.100 -0.036 0.000 0.909 101 R CB 0.665 30.947 30.300 -0.029 0.000 1.195 101 R HN 0.995 nan 8.270 nan 0.000 0.438 102 N N 0.842 119.505 118.700 -0.063 0.000 2.754 102 N HA -0.237 4.503 4.740 -0.000 0.000 0.248 102 N C -1.035 174.413 175.510 -0.104 0.000 1.093 102 N CA 0.682 53.684 53.050 -0.080 0.000 0.699 102 N CB -0.610 37.834 38.487 -0.073 0.000 1.016 102 N HN 0.582 nan 8.380 nan 0.000 0.552 103 A N 0.445 123.201 122.820 -0.105 0.000 2.327 103 A HA 0.603 4.923 4.320 -0.000 0.000 0.283 103 A C -1.882 175.587 177.584 -0.192 0.000 1.127 103 A CA -1.187 50.761 52.037 -0.148 0.000 0.810 103 A CB 0.644 19.585 19.000 -0.098 0.000 1.066 103 A HN 0.067 nan 8.150 nan 0.000 0.492 104 P HA 0.341 nan 4.420 nan 0.000 0.274 104 P C -0.764 176.428 177.300 -0.181 0.000 1.237 104 P CA 0.021 62.936 63.100 -0.307 0.000 0.793 104 P CB 0.711 32.100 31.700 -0.519 0.000 0.977 105 I N 1.427 121.952 120.570 -0.075 0.000 2.377 105 I HA 0.281 4.451 4.170 -0.000 0.000 0.293 105 I C 0.064 176.202 176.117 0.036 0.000 0.987 105 I CA -0.932 60.362 61.300 -0.011 0.000 1.185 105 I CB 1.507 39.481 38.000 -0.043 0.000 1.341 105 I HN 0.150 nan 8.210 nan 0.000 0.455 106 L N 7.802 129.035 121.223 0.015 0.000 2.298 106 L HA 0.544 4.884 4.340 -0.000 0.000 0.284 106 L C -1.117 175.644 176.870 -0.183 0.000 1.013 106 L CA -0.382 54.397 54.840 -0.102 0.000 0.824 106 L CB 1.296 43.148 42.059 -0.345 0.000 1.221 106 L HN 0.470 nan 8.230 nan 0.000 0.418 107 L N 4.624 125.759 121.223 -0.146 0.000 2.334 107 L HA 0.792 5.132 4.340 -0.000 0.000 0.276 107 L C -0.626 176.133 176.870 -0.186 0.000 1.014 107 L CA 0.337 55.073 54.840 -0.173 0.000 0.815 107 L CB 2.187 44.192 42.059 -0.089 0.000 1.268 107 L HN 0.651 nan 8.230 nan 0.000 0.428 108 T N 4.641 119.042 114.554 -0.254 0.000 2.921 108 T HA 0.550 4.900 4.350 -0.000 0.000 0.297 108 T C -0.783 173.924 174.700 0.010 0.000 1.013 108 T CA -0.610 61.406 62.100 -0.141 0.000 0.990 108 T CB 1.268 69.980 68.868 -0.260 0.000 1.023 108 T HN 0.537 nan 8.240 nan 0.000 0.447 109 R N 1.596 122.159 120.500 0.104 0.000 2.338 109 R HA 0.744 5.084 4.340 -0.000 0.000 0.317 109 R C -0.329 176.100 176.300 0.215 0.000 0.968 109 R CA -0.780 55.412 56.100 0.154 0.000 0.849 109 R CB 1.841 32.228 30.300 0.144 0.000 1.128 109 R HN 0.519 nan 8.270 nan 0.000 0.448 110 T N 1.998 116.667 114.554 0.191 0.000 2.903 110 T HA 0.464 4.814 4.350 -0.000 0.000 0.299 110 T C -2.369 172.300 174.700 -0.052 0.000 1.093 110 T CA -2.113 60.057 62.100 0.116 0.000 1.002 110 T CB 1.886 70.883 68.868 0.214 0.000 1.127 110 T HN 0.364 nan 8.240 nan 0.000 0.488 111 P HA 0.275 nan 4.420 nan 0.000 0.272 111 P C -0.590 176.510 177.300 -0.333 0.000 1.408 111 P CA -0.099 62.715 63.100 -0.477 0.000 0.996 111 P CB -0.065 31.052 31.700 -0.971 0.000 1.481 112 Y N 0.483 120.788 120.300 0.009 0.000 2.774 112 Y HA 0.327 4.877 4.550 -0.000 0.000 0.305 112 Y C 0.457 176.164 175.900 -0.323 0.000 1.067 112 Y CA -1.521 56.550 58.100 -0.047 0.000 1.304 112 Y CB -1.138 37.336 38.460 0.024 0.000 1.209 112 Y HN 0.068 nan 8.280 nan 0.000 0.543 113 N N 0.338 118.717 118.700 -0.535 0.000 2.411 113 N HA -0.214 4.526 4.740 -0.000 0.000 0.286 113 N C 0.901 176.218 175.510 -0.321 0.000 1.382 113 N CA 0.210 52.737 53.050 -0.871 0.000 0.630 113 N CB -0.153 37.580 38.487 -1.257 0.000 0.904 113 N HN 0.517 nan 8.380 nan 0.000 0.516 114 A N 3.728 126.485 122.820 -0.105 0.000 1.908 114 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 114 A C 1.953 179.537 177.584 -0.000 0.000 1.181 114 A CA 1.935 53.993 52.037 0.036 0.000 0.627 114 A CB -0.293 18.851 19.000 0.241 0.000 0.818 114 A HN 0.777 nan 8.150 nan 0.000 0.445 115 K N -0.756 119.681 120.400 0.062 0.000 2.063 115 K HA -0.126 4.194 4.320 -0.000 0.000 0.208 115 K C 1.989 178.550 176.600 -0.065 0.000 1.048 115 K CA 1.486 57.816 56.287 0.072 0.000 0.928 115 K CB -0.484 32.030 32.500 0.023 0.000 0.713 115 K HN 0.407 nan 8.250 nan 0.000 0.442 116 G N 0.739 109.449 108.800 -0.150 0.000 2.403 116 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.216 116 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.216 116 G C 1.421 176.193 174.900 -0.214 0.000 1.154 116 G CA 0.035 45.039 45.100 -0.161 0.000 0.784 116 G HN 0.153 nan 8.290 nan 0.000 0.538 117 R N 0.943 121.248 120.500 -0.326 0.000 2.096 117 R HA 0.006 4.346 4.340 -0.000 0.000 0.235 117 R C 2.236 178.117 176.300 -0.699 0.000 1.127 117 R CA 1.116 56.879 56.100 -0.562 0.000 0.968 117 R CB -0.746 29.039 30.300 -0.859 0.000 0.861 117 R HN 0.333 nan 8.270 nan 0.000 0.440 118 A N 0.820 123.315 122.820 -0.542 0.000 2.532 118 A HA 0.141 4.461 4.320 -0.000 0.000 0.273 118 A C 0.137 177.644 177.584 -0.129 0.000 1.342 118 A CA -0.158 51.712 52.037 -0.277 0.000 0.929 118 A CB -0.040 18.924 19.000 -0.060 0.000 1.051 118 A HN 0.072 nan 8.150 nan 0.000 0.521 119 N N 0.042 118.663 118.700 -0.132 0.000 2.646 119 N HA 0.099 4.839 4.740 -0.000 0.000 0.296 119 N C 1.043 176.516 175.510 -0.061 0.000 1.886 119 N CA -0.283 52.728 53.050 -0.065 0.000 0.855 119 N CB 0.242 38.708 38.487 -0.036 0.000 1.336 119 N HN 0.403 nan 8.380 nan 0.000 0.496 120 R N -0.211 120.248 120.500 -0.068 0.000 2.094 120 R HA -0.006 4.334 4.340 -0.000 0.000 0.239 120 R C -0.213 176.076 176.300 -0.017 0.000 1.137 120 R CA 1.359 57.434 56.100 -0.041 0.000 0.943 120 R CB -0.029 30.253 30.300 -0.029 0.000 0.850 120 R HN -0.004 nan 8.270 nan 0.000 0.433 121 V N 4.655 124.563 119.914 -0.009 0.000 2.294 121 V HA 0.242 4.362 4.120 -0.000 0.000 0.272 121 V C -2.210 173.895 176.094 0.018 0.000 1.027 121 V CA -1.859 60.446 62.300 0.008 0.000 0.823 121 V CB 1.373 33.206 31.823 0.017 0.000 1.030 121 V HN 0.248 nan 8.190 nan 0.000 0.457 122 P HA -0.023 nan 4.420 nan 0.000 0.260 122 P C 0.337 177.669 177.300 0.053 0.000 1.172 122 P CA 0.592 63.708 63.100 0.027 0.000 0.760 122 P CB -0.046 31.665 31.700 0.018 0.000 0.773 123 N N -0.649 118.100 118.700 0.081 0.000 2.696 123 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 123 N C 0.286 175.879 175.510 0.137 0.000 1.090 123 N CA 0.454 53.574 53.050 0.117 0.000 0.716 123 N CB -1.319 37.211 38.487 0.071 0.000 1.020 123 N HN 0.641 nan 8.380 nan 0.000 0.548 124 A N -0.089 122.825 122.820 0.156 0.000 2.492 124 A HA 0.188 4.508 4.320 -0.000 0.000 0.236 124 A C 1.386 179.104 177.584 0.224 0.000 1.078 124 A CA 0.135 52.262 52.037 0.150 0.000 0.773 124 A CB 0.262 19.329 19.000 0.112 0.000 1.023 124 A HN 0.361 nan 8.150 nan 0.000 0.504 125 L N 0.257 121.570 121.223 0.150 0.000 2.418 125 L HA 0.062 4.402 4.340 -0.000 0.000 0.218 125 L C 1.268 178.259 176.870 0.201 0.000 1.125 125 L CA 1.163 56.077 54.840 0.122 0.000 0.835 125 L CB -0.643 41.450 42.059 0.058 0.000 0.953 125 L HN 0.919 nan 8.230 nan 0.000 0.454 126 T N -4.701 109.994 114.554 0.235 0.000 2.908 126 T HA 0.284 4.634 4.350 -0.000 0.000 0.290 126 T C 0.600 175.399 174.700 0.166 0.000 1.034 126 T CA -0.689 61.546 62.100 0.224 0.000 1.010 126 T CB 2.378 71.311 68.868 0.108 0.000 1.068 126 T HN -0.020 nan 8.240 nan 0.000 0.481 127 M N 0.741 120.406 119.600 0.108 0.000 2.159 127 M HA 0.006 4.486 4.480 -0.000 0.000 0.263 127 M C 2.362 178.590 176.300 -0.120 0.000 1.063 127 M CA 1.479 56.664 55.300 -0.191 0.000 1.110 127 M CB -0.211 32.348 32.600 -0.068 0.000 1.374 127 M HN 0.756 nan 8.290 nan 0.000 0.411 128 R N 0.617 121.102 120.500 -0.026 0.000 2.127 128 R HA -0.146 4.194 4.340 -0.000 0.000 0.238 128 R C 1.551 177.839 176.300 -0.020 0.000 1.134 128 R CA 2.054 58.144 56.100 -0.016 0.000 0.975 128 R CB -0.300 30.002 30.300 0.004 0.000 0.865 128 R HN 0.529 nan 8.270 nan 0.000 0.447 129 E N -1.123 119.069 120.200 -0.012 0.000 2.170 129 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 129 E C 1.734 178.317 176.600 -0.027 0.000 0.981 129 E CA 0.866 57.264 56.400 -0.004 0.000 0.830 129 E CB 0.128 29.843 29.700 0.025 0.000 0.775 129 E HN 0.125 nan 8.360 nan 0.000 0.470 130 V N 1.097 120.962 119.914 -0.082 0.000 2.719 130 V HA -0.006 4.114 4.120 -0.000 0.000 0.252 130 V C 0.810 176.840 176.094 -0.106 0.000 1.065 130 V CA 0.688 62.919 62.300 -0.114 0.000 1.086 130 V CB 0.072 31.735 31.823 -0.267 0.000 0.700 130 V HN 0.063 nan 8.190 nan 0.000 0.467 131 L N 0.744 121.912 121.223 -0.090 0.000 2.399 131 L HA 0.405 4.745 4.340 -0.000 0.000 0.265 131 L C -2.108 174.758 176.870 -0.007 0.000 1.089 131 L CA -1.962 52.863 54.840 -0.025 0.000 0.802 131 L CB 0.620 42.688 42.059 0.014 0.000 1.180 131 L HN 0.018 nan 8.230 nan 0.000 0.454 132 P HA -0.048 nan 4.420 nan 0.000 0.270 132 P C -0.003 177.293 177.300 -0.006 0.000 1.227 132 P CA -0.164 62.942 63.100 0.010 0.000 0.788 132 P CB 0.465 32.182 31.700 0.028 0.000 0.926 133 Q N 1.056 120.841 119.800 -0.025 0.000 2.124 133 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 133 Q C 1.975 177.927 176.000 -0.080 0.000 0.977 133 Q CA 2.132 57.912 55.803 -0.038 0.000 0.850 133 Q CB -1.001 27.738 28.738 0.003 0.000 0.901 133 Q HN 0.682 nan 8.270 nan 0.000 0.429 134 G N -0.056 108.651 108.800 -0.155 0.000 2.509 134 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.218 134 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.218 134 G C 0.555 175.442 174.900 -0.022 0.000 1.124 134 G CA 0.803 45.830 45.100 -0.122 0.000 0.776 134 G HN 0.366 nan 8.290 nan 0.000 0.547 135 D N 0.728 121.133 120.400 0.008 0.000 2.339 135 D HA 0.028 4.667 4.640 -0.000 0.000 0.217 135 D C 1.971 178.279 176.300 0.013 0.000 1.050 135 D CA 0.469 54.507 54.000 0.065 0.000 0.856 135 D CB 0.101 40.940 40.800 0.064 0.000 0.922 135 D HN 0.405 nan 8.370 nan 0.000 0.518 136 D N 0.942 121.320 120.400 -0.036 0.000 2.116 136 D HA -0.202 4.438 4.640 -0.000 0.000 0.193 136 D C 2.028 178.256 176.300 -0.120 0.000 0.998 136 D CA 1.757 55.728 54.000 -0.049 0.000 0.836 136 D CB -0.867 39.922 40.800 -0.017 0.000 0.951 136 D HN 0.271 nan 8.370 nan 0.000 0.449 137 V N -2.489 117.259 119.914 -0.276 0.000 2.626 137 V HA -0.070 4.050 4.120 -0.000 0.000 0.252 137 V C 2.354 178.098 176.094 -0.583 0.000 1.067 137 V CA 1.064 63.085 62.300 -0.465 0.000 1.081 137 V CB -1.246 30.156 31.823 -0.702 0.000 0.686 137 V HN -0.010 nan 8.190 nan 0.000 0.468 138 F N 0.481 120.212 119.950 -0.366 0.000 2.293 138 F HA 0.115 4.642 4.527 -0.000 0.000 0.297 138 F C 2.391 178.107 175.800 -0.140 0.000 1.089 138 F CA 1.252 58.983 58.000 -0.448 0.000 1.377 138 F CB -0.719 37.868 39.000 -0.687 0.000 1.051 138 F HN -0.013 nan 8.300 nan 0.000 0.511 139 V N 0.123 120.065 119.914 0.047 0.000 2.343 139 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 139 V C 2.076 178.198 176.094 0.046 0.000 1.051 139 V CA 1.949 64.282 62.300 0.054 0.000 1.036 139 V CB -0.633 31.201 31.823 0.018 0.000 0.654 139 V HN 0.313 nan 8.190 nan 0.000 0.451 140 E N 0.492 120.690 120.200 -0.003 0.000 2.106 140 E HA -0.119 4.231 4.350 -0.000 0.000 0.192 140 E C 2.150 178.764 176.600 0.023 0.000 0.984 140 E CA 1.138 57.534 56.400 -0.006 0.000 0.806 140 E CB -0.382 29.291 29.700 -0.045 0.000 0.750 140 E HN 0.632 nan 8.360 nan 0.000 0.458 141 G N -0.187 108.643 108.800 0.050 0.000 3.026 141 G HA2 0.141 4.101 3.960 -0.000 0.000 0.208 141 G HA3 0.141 4.101 3.960 -0.000 0.000 0.208 141 G C 0.986 176.032 174.900 0.244 0.000 1.169 141 G CA 0.174 45.369 45.100 0.158 0.000 0.788 141 G HN 0.374 nan 8.290 nan 0.000 0.533 142 G N -1.156 107.760 108.800 0.195 0.000 2.160 142 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.251 142 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.251 142 G C 0.139 175.130 174.900 0.151 0.000 1.008 142 G CA 0.093 45.275 45.100 0.135 0.000 0.724 142 G HN 0.379 nan 8.290 nan 0.000 0.514 143 Y N -0.566 119.766 120.300 0.054 0.000 2.326 143 Y HA 0.578 5.128 4.550 -0.000 0.000 0.333 143 Y C 1.463 177.370 175.900 0.011 0.000 1.240 143 Y CA -0.741 57.384 58.100 0.041 0.000 1.365 143 Y CB 0.595 39.098 38.460 0.071 0.000 1.289 143 Y HN 0.163 nan 8.280 nan 0.000 0.548 144 I N 3.008 123.653 120.570 0.124 0.000 2.396 144 I HA 0.300 4.470 4.170 -0.000 0.000 0.292 144 I C -0.142 176.006 176.117 0.052 0.000 0.999 144 I CA -0.692 60.648 61.300 0.067 0.000 1.310 144 I CB 1.150 39.164 38.000 0.023 0.000 1.404 144 I HN 0.392 nan 8.210 nan 0.000 0.496 145 R N 5.109 125.624 120.500 0.025 0.000 2.460 145 R HA 0.682 5.022 4.340 -0.000 0.000 0.303 145 R C -1.652 174.620 176.300 -0.046 0.000 0.968 145 R CA -0.478 55.596 56.100 -0.043 0.000 0.889 145 R CB 1.455 31.750 30.300 -0.009 0.000 1.123 145 R HN 0.393 nan 8.270 nan 0.000 0.455 146 V N 5.222 125.038 119.914 -0.163 0.000 2.588 146 V HA 0.545 4.665 4.120 -0.000 0.000 0.304 146 V C -1.023 174.902 176.094 -0.281 0.000 1.042 146 V CA -0.643 61.587 62.300 -0.116 0.000 0.877 146 V CB 1.589 33.369 31.823 -0.071 0.000 0.996 146 V HN 0.613 nan 8.190 nan 0.000 0.425 147 F N 2.798 122.743 119.950 -0.009 0.000 2.507 147 F HA 0.642 5.169 4.527 -0.000 0.000 0.325 147 F C 0.081 175.882 175.800 0.002 0.000 1.116 147 F CA -0.300 57.706 58.000 0.010 0.000 0.930 147 F CB 2.060 41.073 39.000 0.021 0.000 1.146 147 F HN 0.428 nan 8.300 nan 0.000 0.447 148 Q N 2.552 122.467 119.800 0.192 0.000 2.356 148 Q HA 0.291 4.631 4.340 -0.000 0.000 0.270 148 Q C -1.679 174.422 176.000 0.168 0.000 1.058 148 Q CA -0.978 54.901 55.803 0.127 0.000 0.802 148 Q CB 1.895 30.666 28.738 0.056 0.000 1.303 148 Q HN 0.483 nan 8.270 nan 0.000 0.444 149 D N 4.124 124.638 120.400 0.190 0.000 2.343 149 D HA 0.189 4.829 4.640 -0.000 0.000 0.255 149 D C 0.413 176.799 176.300 0.143 0.000 1.187 149 D CA 0.029 54.135 54.000 0.176 0.000 0.875 149 D CB 0.507 41.438 40.800 0.219 0.000 1.136 149 D HN 0.534 nan 8.370 nan 0.000 0.469 150 I N -0.863 119.785 120.570 0.129 0.000 3.060 150 I HA 0.200 4.370 4.170 -0.000 0.000 0.285 150 I C 0.836 177.049 176.117 0.159 0.000 1.190 150 I CA -0.865 60.531 61.300 0.161 0.000 1.363 150 I CB 0.658 38.790 38.000 0.220 0.000 1.396 150 I HN 0.144 nan 8.210 nan 0.000 0.607 151 R N 2.721 123.333 120.500 0.186 0.000 2.485 151 R HA 0.079 4.419 4.340 -0.000 0.000 0.304 151 R C 0.979 177.412 176.300 0.221 0.000 0.934 151 R CA 1.324 57.531 56.100 0.178 0.000 1.102 151 R CB -0.442 29.964 30.300 0.176 0.000 0.906 151 R HN 1.155 nan 8.270 nan 0.000 0.407 152 G N 3.112 111.999 108.800 0.144 0.000 2.157 152 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.248 152 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.248 152 G C -0.428 174.455 174.900 -0.028 0.000 0.979 152 G CA 0.140 45.313 45.100 0.122 0.000 0.650 152 G HN 0.518 nan 8.290 nan 0.000 0.529 153 K N -0.654 119.710 120.400 -0.060 0.000 2.324 153 K HA 0.659 4.979 4.320 -0.000 0.000 0.253 153 K C 0.850 177.455 176.600 0.008 0.000 0.932 153 K CA -0.803 55.385 56.287 -0.164 0.000 0.799 153 K CB 1.597 33.973 32.500 -0.206 0.000 1.154 153 K HN 0.196 nan 8.250 nan 0.000 0.425 154 Y N 0.337 120.558 120.300 -0.131 0.000 2.817 154 Y HA -0.450 4.100 4.550 -0.000 0.000 0.471 154 Y C 1.767 177.584 175.900 -0.137 0.000 1.142 154 Y CA 2.089 60.112 58.100 -0.128 0.000 2.725 154 Y CB -1.424 36.960 38.460 -0.127 0.000 1.169 154 Y HN 0.795 nan 8.280 nan 0.000 0.619 155 G N 0.025 108.826 108.800 0.001 0.000 2.920 155 G HA2 0.254 4.214 3.960 -0.000 0.000 0.208 155 G HA3 0.254 4.214 3.960 -0.000 0.000 0.208 155 G C 0.116 175.043 174.900 0.044 0.000 1.159 155 G CA 0.741 45.763 45.100 -0.131 0.000 0.784 155 G HN 0.281 nan 8.290 nan 0.000 0.535 156 S N -0.017 115.736 115.700 0.088 0.000 2.646 156 S HA 0.421 4.891 4.470 -0.000 0.000 0.276 156 S C 0.189 174.823 174.600 0.057 0.000 1.222 156 S CA -0.555 57.704 58.200 0.099 0.000 1.014 156 S CB 1.602 64.870 63.200 0.112 0.000 0.991 156 S HN 0.416 nan 8.310 nan 0.000 0.533 157 Q N 0.111 119.946 119.800 0.057 0.000 2.171 157 Q HA 0.658 4.998 4.340 -0.000 0.000 0.217 157 Q C 0.535 176.570 176.000 0.058 0.000 0.995 157 Q CA -0.383 55.446 55.803 0.045 0.000 0.979 157 Q CB 0.652 29.414 28.738 0.040 0.000 1.152 157 Q HN 0.976 nan 8.270 nan 0.000 0.525 158 G N 0.539 109.371 108.800 0.053 0.000 2.655 158 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.680 158 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.680 158 G C -1.590 173.357 174.900 0.079 0.000 1.302 158 G CA -0.860 44.280 45.100 0.067 0.000 0.872 158 G HN 0.550 nan 8.290 nan 0.000 0.540 159 D N -0.057 120.396 120.400 0.087 0.000 2.249 159 D HA 0.429 5.069 4.640 -0.000 0.000 0.246 159 D C -0.150 176.240 176.300 0.150 0.000 1.114 159 D CA 0.116 54.174 54.000 0.097 0.000 0.854 159 D CB 1.204 42.043 40.800 0.065 0.000 1.132 159 D HN 0.492 nan 8.370 nan 0.000 0.461 160 Y N 2.272 122.591 120.300 0.032 0.000 2.365 160 Y HA 0.345 4.895 4.550 -0.000 0.000 0.340 160 Y C -0.771 175.167 175.900 0.063 0.000 1.016 160 Y CA -0.394 57.733 58.100 0.044 0.000 1.196 160 Y CB 0.652 39.118 38.460 0.010 0.000 1.167 160 Y HN 0.060 nan 8.280 nan 0.000 0.509 161 V N 8.299 127.884 119.914 -0.549 0.000 2.487 161 V HA 0.177 4.297 4.120 -0.000 0.000 0.298 161 V C -0.097 175.545 176.094 -0.754 0.000 1.028 161 V CA -1.065 60.956 62.300 -0.464 0.000 0.860 161 V CB 1.378 33.133 31.823 -0.114 0.000 0.991 161 V HN 0.878 nan 8.190 nan 0.000 0.427 162 M N 5.645 124.840 119.600 -0.674 0.000 2.327 162 M HA 0.179 4.659 4.480 -0.000 0.000 0.353 162 M C 0.898 177.085 176.300 -0.187 0.000 1.539 162 M CA 0.822 55.830 55.300 -0.487 0.000 1.039 162 M CB -0.430 31.614 32.600 -0.926 0.000 1.967 162 M HN 1.136 nan 8.290 nan 0.000 0.459 163 T N 2.539 117.063 114.554 -0.050 0.000 3.361 163 T HA -0.253 4.097 4.350 -0.000 0.000 0.417 163 T C 0.108 174.840 174.700 0.054 0.000 0.769 163 T CA 0.924 62.813 62.100 -0.352 0.000 2.085 163 T CB -1.558 67.060 68.868 -0.416 0.000 1.689 163 T HN 0.967 nan 8.240 nan 0.000 0.639 164 R N 2.039 122.660 120.500 0.202 0.000 2.485 164 R HA 0.165 4.504 4.340 -0.000 0.000 0.304 164 R C -2.020 174.444 176.300 0.274 0.000 0.934 164 R CA -1.053 55.172 56.100 0.207 0.000 1.102 164 R CB 0.249 30.673 30.300 0.206 0.000 0.906 164 R HN 0.358 nan 8.270 nan 0.000 0.407 165 P HA 0.113 nan 4.420 nan 0.000 0.272 165 P C -2.460 174.915 177.300 0.125 0.000 1.223 165 P CA -1.238 61.940 63.100 0.130 0.000 0.784 165 P CB 0.337 32.053 31.700 0.026 0.000 0.923 166 P HA 0.026 nan 4.420 nan 0.000 0.273 166 P C -0.292 177.070 177.300 0.104 0.000 1.250 166 P CA -0.020 63.144 63.100 0.108 0.000 0.793 166 P CB 0.154 31.909 31.700 0.092 0.000 1.011 167 H N -0.544 118.546 119.070 0.033 0.000 3.034 167 H HA 0.378 4.934 4.556 -0.000 0.000 0.324 167 H C 0.782 176.119 175.328 0.015 0.000 1.015 167 H CA 2.326 58.387 56.048 0.021 0.000 1.429 167 H CB -0.526 29.242 29.762 0.011 0.000 1.429 167 H HN 0.788 nan 8.280 nan 0.000 0.585 168 G N 3.795 112.312 108.800 -0.472 0.000 2.368 168 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.269 168 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.269 168 G C -2.116 172.642 174.900 -0.235 0.000 1.291 168 G CA -0.372 44.538 45.100 -0.318 0.000 0.903 168 G HN 0.454 nan 8.290 nan 0.000 0.483 169 P HA 0.025 nan 4.420 nan 0.000 0.221 169 P C 1.636 178.891 177.300 -0.075 0.000 1.145 169 P CA 0.990 64.030 63.100 -0.099 0.000 0.795 169 P CB 0.139 31.793 31.700 -0.078 0.000 0.775 170 L N -2.045 119.135 121.223 -0.072 0.000 2.585 170 L HA 0.195 4.535 4.340 -0.000 0.000 0.226 170 L C 0.786 177.648 176.870 -0.013 0.000 1.113 170 L CA 0.239 55.058 54.840 -0.035 0.000 0.876 170 L CB -0.259 41.763 42.059 -0.063 0.000 1.072 170 L HN -0.020 nan 8.230 nan 0.000 0.468 171 N N 0.160 118.837 118.700 -0.039 0.000 2.732 171 N HA 0.154 4.894 4.740 -0.000 0.000 0.247 171 N C -2.406 173.081 175.510 -0.039 0.000 1.305 171 N CA -1.224 51.825 53.050 -0.002 0.000 0.762 171 N CB 1.364 39.878 38.487 0.045 0.000 1.361 171 N HN -0.236 nan 8.380 nan 0.000 0.545 172 P HA 0.075 nan 4.420 nan 0.000 0.255 172 P C 0.327 177.703 177.300 0.127 0.000 1.301 172 P CA 0.192 63.284 63.100 -0.014 0.000 0.817 172 P CB -0.210 31.482 31.700 -0.013 0.000 1.259 173 T N -2.610 112.030 114.554 0.145 0.000 2.788 173 T HA 0.223 4.573 4.350 -0.000 0.000 0.280 173 T C 1.208 176.001 174.700 0.154 0.000 0.984 173 T CA -0.498 61.679 62.100 0.128 0.000 0.972 173 T CB 1.049 69.970 68.868 0.088 0.000 1.039 173 T HN -0.188 nan 8.240 nan 0.000 0.530 174 K N 0.508 120.944 120.400 0.060 0.000 2.459 174 K HA 0.094 4.414 4.320 -0.000 0.000 0.193 174 K C 1.161 177.744 176.600 -0.029 0.000 1.030 174 K CA 0.461 56.734 56.287 -0.023 0.000 1.026 174 K CB -0.240 32.244 32.500 -0.026 0.000 0.809 174 K HN 0.912 nan 8.250 nan 0.000 0.504 175 T N -0.657 113.919 114.554 0.036 0.000 2.916 175 T HA 0.521 4.870 4.350 -0.000 0.000 0.292 175 T C -0.839 173.915 174.700 0.090 0.000 1.064 175 T CA -0.854 61.275 62.100 0.049 0.000 1.011 175 T CB 2.684 71.587 68.868 0.059 0.000 1.152 175 T HN 0.063 nan 8.240 nan 0.000 0.510 176 D N -0.437 120.021 120.400 0.096 0.000 2.970 176 D HA 0.269 4.909 4.640 -0.000 0.000 0.344 176 D C 0.457 176.834 176.300 0.129 0.000 1.365 176 D CA -0.626 53.447 54.000 0.122 0.000 0.910 176 D CB -0.006 40.870 40.800 0.128 0.000 1.445 176 D HN 0.369 nan 8.370 nan 0.000 0.532 177 E N -0.641 119.642 120.200 0.138 0.000 2.347 177 E HA 0.007 4.357 4.350 -0.000 0.000 0.196 177 E C 1.353 178.010 176.600 0.095 0.000 1.008 177 E CA 1.022 57.500 56.400 0.130 0.000 0.852 177 E CB -0.290 29.479 29.700 0.116 0.000 0.783 177 E HN 0.552 nan 8.360 nan 0.000 0.505 178 T N 0.475 115.081 114.554 0.088 0.000 2.894 178 T HA -0.092 4.258 4.350 -0.000 0.000 0.258 178 T C 2.133 176.931 174.700 0.163 0.000 1.043 178 T CA 1.778 63.941 62.100 0.106 0.000 1.141 178 T CB -0.242 68.677 68.868 0.086 0.000 0.873 178 T HN 0.381 nan 8.240 nan 0.000 0.449 179 T N 0.778 115.407 114.554 0.124 0.000 2.857 179 T HA -0.109 4.241 4.350 -0.000 0.000 0.266 179 T C 1.567 176.388 174.700 0.202 0.000 1.048 179 T CA 1.131 63.310 62.100 0.132 0.000 1.139 179 T CB -0.508 68.379 68.868 0.032 0.000 0.874 179 T HN 0.098 nan 8.240 nan 0.000 0.455 180 D N 2.100 122.596 120.400 0.159 0.000 2.149 180 D HA 0.024 4.664 4.640 -0.000 0.000 0.198 180 D C 2.422 178.820 176.300 0.164 0.000 0.990 180 D CA 1.510 55.601 54.000 0.152 0.000 0.839 180 D CB -0.631 40.250 40.800 0.135 0.000 0.948 180 D HN 0.591 nan 8.370 nan 0.000 0.460 181 A N -0.317 122.604 122.820 0.169 0.000 1.929 181 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 181 A C 2.164 179.849 177.584 0.168 0.000 1.176 181 A CA 1.037 53.157 52.037 0.139 0.000 0.628 181 A CB -1.113 17.957 19.000 0.117 0.000 0.816 181 A HN 0.356 nan 8.150 nan 0.000 0.444 182 W N 1.274 122.620 121.300 0.077 0.000 2.333 182 W HA -0.196 4.464 4.660 -0.000 0.000 0.316 182 W C 1.529 178.116 176.519 0.113 0.000 1.215 182 W CA 2.051 59.472 57.345 0.126 0.000 1.278 182 W CB -0.004 29.532 29.460 0.128 0.000 1.154 182 W HN 0.376 nan 8.180 nan 0.000 0.486 183 D N -1.003 119.689 120.400 0.487 0.000 2.144 183 D HA -0.164 4.476 4.640 -0.000 0.000 0.199 183 D C 2.109 178.514 176.300 0.174 0.000 0.984 183 D CA 2.094 56.310 54.000 0.360 0.000 0.834 183 D CB -0.866 40.107 40.800 0.287 0.000 0.955 183 D HN 0.155 nan 8.370 nan 0.000 0.465 184 T N 0.510 115.130 114.554 0.110 0.000 2.737 184 T HA -0.074 4.276 4.350 -0.000 0.000 0.265 184 T C 2.250 176.961 174.700 0.019 0.000 1.038 184 T CA 0.629 62.767 62.100 0.062 0.000 1.144 184 T CB -0.232 68.653 68.868 0.030 0.000 0.866 184 T HN -0.029 nan 8.240 nan 0.000 0.434 185 V N 1.626 121.463 119.914 -0.128 0.000 2.407 185 V HA -0.161 3.959 4.120 -0.000 0.000 0.248 185 V C 2.329 178.119 176.094 -0.507 0.000 1.055 185 V CA 1.840 63.950 62.300 -0.317 0.000 1.049 185 V CB -0.573 30.988 31.823 -0.436 0.000 0.662 185 V HN 0.462 nan 8.190 nan 0.000 0.455 186 D N -1.305 118.739 120.400 -0.595 0.000 2.117 186 D HA -0.250 4.390 4.640 -0.000 0.000 0.197 186 D C 1.862 178.177 176.300 0.025 0.000 0.987 186 D CA 1.487 55.251 54.000 -0.394 0.000 0.829 186 D CB -0.202 40.518 40.800 -0.132 0.000 0.961 186 D HN 0.547 nan 8.370 nan 0.000 0.460 187 W N 0.620 121.877 121.300 -0.072 0.000 2.358 187 W HA -0.101 4.559 4.660 -0.000 0.000 0.303 187 W C 1.894 178.401 176.519 -0.020 0.000 1.208 187 W CA 1.181 58.522 57.345 -0.007 0.000 1.274 187 W CB -0.225 29.230 29.460 -0.008 0.000 1.138 187 W HN 0.010 nan 8.180 nan 0.000 0.515 188 L N 0.198 121.566 121.223 0.242 0.000 2.046 188 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 188 L C 2.466 179.257 176.870 -0.132 0.000 1.077 188 L CA 1.512 56.412 54.840 0.100 0.000 0.747 188 L CB -1.333 40.776 42.059 0.082 0.000 0.896 188 L HN 0.067 nan 8.230 nan 0.000 0.432 189 V N -4.100 115.702 119.914 -0.186 0.000 2.970 189 V HA -0.185 3.935 4.120 -0.000 0.000 0.260 189 V C 1.666 177.502 176.094 -0.431 0.000 1.100 189 V CA 1.453 63.576 62.300 -0.294 0.000 1.122 189 V CB -0.856 30.770 31.823 -0.328 0.000 0.721 189 V HN 0.451 nan 8.190 nan 0.000 0.483 190 H N 0.274 119.185 119.070 -0.266 0.000 2.654 190 H HA 0.353 4.909 4.556 -0.000 0.000 0.264 190 H C 1.152 176.235 175.328 -0.409 0.000 0.954 190 H CA 0.849 56.726 56.048 -0.285 0.000 1.199 190 H CB 0.233 29.845 29.762 -0.251 0.000 1.446 190 H HN 0.501 nan 8.280 nan 0.000 0.516 191 N N -0.173 118.212 118.700 -0.525 0.000 2.238 191 N HA 0.177 4.917 4.740 -0.000 0.000 0.235 191 N C -1.208 174.044 175.510 -0.431 0.000 1.209 191 N CA 0.064 52.693 53.050 -0.702 0.000 0.879 191 N CB 2.067 39.518 38.487 -1.726 0.000 1.136 191 N HN -0.096 nan 8.380 nan 0.000 0.517 192 V N 1.727 121.486 119.914 -0.258 0.000 2.380 192 V HA 0.258 4.378 4.120 -0.000 0.000 0.272 192 V C -1.853 174.173 176.094 -0.114 0.000 1.011 192 V CA -1.171 61.053 62.300 -0.127 0.000 0.826 192 V CB 1.743 33.527 31.823 -0.065 0.000 1.040 192 V HN -0.020 nan 8.190 nan 0.000 0.441 193 P HA -0.085 nan 4.420 nan 0.000 0.220 193 P C 1.144 178.404 177.300 -0.066 0.000 1.148 193 P CA 0.969 64.020 63.100 -0.081 0.000 0.803 193 P CB 0.494 32.157 31.700 -0.062 0.000 0.782 194 E N -0.312 119.857 120.200 -0.051 0.000 2.418 194 E HA -0.037 4.313 4.350 -0.000 0.000 0.197 194 E C 0.985 177.551 176.600 -0.057 0.000 1.026 194 E CA 0.342 56.717 56.400 -0.041 0.000 0.862 194 E CB -0.452 29.237 29.700 -0.020 0.000 0.799 194 E HN 0.348 nan 8.360 nan 0.000 0.518 195 S N 0.869 116.526 115.700 -0.072 0.000 2.681 195 S HA 0.153 4.623 4.470 -0.000 0.000 0.270 195 S C 0.754 175.291 174.600 -0.104 0.000 1.209 195 S CA -0.564 57.583 58.200 -0.089 0.000 0.988 195 S CB 0.820 63.964 63.200 -0.092 0.000 1.006 195 S HN 0.184 nan 8.310 nan 0.000 0.558 196 N N -0.682 117.948 118.700 -0.116 0.000 2.235 196 N HA 0.223 4.963 4.740 -0.000 0.000 0.209 196 N C 1.091 176.528 175.510 -0.123 0.000 1.122 196 N CA 0.247 53.228 53.050 -0.115 0.000 0.845 196 N CB -0.311 38.107 38.487 -0.116 0.000 1.004 196 N HN 1.316 nan 8.380 nan 0.000 0.499 197 G N 0.536 109.254 108.800 -0.137 0.000 2.168 197 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.263 197 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.263 197 G C -0.446 174.375 174.900 -0.132 0.000 0.977 197 G CA 0.027 45.035 45.100 -0.154 0.000 0.659 197 G HN 0.424 nan 8.290 nan 0.000 0.533 198 R N -0.079 120.349 120.500 -0.121 0.000 2.338 198 R HA 0.618 4.958 4.340 -0.000 0.000 0.317 198 R C -0.502 175.732 176.300 -0.109 0.000 0.968 198 R CA -0.587 55.447 56.100 -0.109 0.000 0.849 198 R CB 2.116 32.352 30.300 -0.107 0.000 1.128 198 R HN 0.150 nan 8.270 nan 0.000 0.448 199 V N 1.311 121.161 119.914 -0.107 0.000 2.555 199 V HA 0.692 4.812 4.120 -0.000 0.000 0.302 199 V C 0.474 176.500 176.094 -0.114 0.000 1.038 199 V CA -0.854 61.388 62.300 -0.098 0.000 0.887 199 V CB 2.168 33.926 31.823 -0.108 0.000 0.991 199 V HN 0.920 nan 8.190 nan 0.000 0.434 200 G N 3.409 112.159 108.800 -0.084 0.000 2.482 200 G HA2 0.753 4.713 3.960 -0.000 0.000 0.317 200 G HA3 0.753 4.713 3.960 -0.000 0.000 0.317 200 G C -1.094 173.826 174.900 0.033 0.000 1.241 200 G CA -0.703 44.314 45.100 -0.137 0.000 0.967 200 G HN 0.516 nan 8.290 nan 0.000 0.482 201 M N 0.884 120.531 119.600 0.079 0.000 2.535 201 M HA 0.633 5.113 4.480 -0.000 0.000 0.314 201 M C -0.239 176.180 176.300 0.198 0.000 1.153 201 M CA -0.600 54.755 55.300 0.091 0.000 0.924 201 M CB 2.830 35.446 32.600 0.027 0.000 1.710 201 M HN 0.609 nan 8.290 nan 0.000 0.451 202 T N 0.607 115.220 114.554 0.098 0.000 2.739 202 T HA 0.875 5.225 4.350 -0.000 0.000 0.303 202 T C -1.410 173.324 174.700 0.058 0.000 1.389 202 T CA 0.025 62.182 62.100 0.095 0.000 1.001 202 T CB 2.111 71.059 68.868 0.133 0.000 1.436 202 T HN 1.041 nan 8.240 nan 0.000 0.500 203 G N 0.797 109.643 108.800 0.077 0.000 2.352 203 G HA2 0.435 4.395 3.960 -0.000 0.000 0.305 203 G HA3 0.435 4.395 3.960 -0.000 0.000 0.305 203 G C -1.306 173.673 174.900 0.132 0.000 1.537 203 G CA 0.103 45.278 45.100 0.124 0.000 0.959 203 G HN 0.801 nan 8.290 nan 0.000 0.668 204 S N -0.271 115.528 115.700 0.164 0.000 2.578 204 S HA 0.847 5.317 4.470 -0.000 0.000 0.301 204 S C 1.058 175.816 174.600 0.264 0.000 1.091 204 S CA 1.272 59.557 58.200 0.142 0.000 1.032 204 S CB 1.448 64.664 63.200 0.026 0.000 1.064 204 S HN 2.455 nan 8.310 nan 0.000 0.508 205 S N 1.847 117.723 115.700 0.294 0.000 4.139 205 S HA -0.332 4.138 4.470 -0.000 0.000 0.603 205 S C 0.910 175.774 174.600 0.439 0.000 1.897 205 S CA 1.648 60.122 58.200 0.456 0.000 4.241 205 S CB -1.948 61.619 63.200 0.612 0.000 0.221 205 S HN 0.991 nan 8.310 nan 0.000 0.488 206 Y N 2.298 122.842 120.300 0.406 0.000 2.242 206 Y HA -0.008 4.542 4.550 -0.000 0.000 0.291 206 Y C 2.480 178.605 175.900 0.374 0.000 1.137 206 Y CA 2.156 60.466 58.100 0.350 0.000 1.181 206 Y CB -0.180 38.428 38.460 0.246 0.000 0.989 206 Y HN 0.602 nan 8.280 nan 0.000 0.527 207 E N -0.955 119.576 120.200 0.552 0.000 2.338 207 E HA -0.139 4.211 4.350 -0.000 0.000 0.197 207 E C 2.175 178.958 176.600 0.304 0.000 1.007 207 E CA 0.696 57.338 56.400 0.404 0.000 0.849 207 E CB -0.197 29.717 29.700 0.357 0.000 0.774 207 E HN 0.619 nan 8.360 nan 0.000 0.506 208 G N 0.692 109.675 108.800 0.305 0.000 2.492 208 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.214 208 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.214 208 G C 1.278 176.327 174.900 0.247 0.000 1.147 208 G CA -0.124 45.113 45.100 0.228 0.000 0.809 208 G HN 0.266 nan 8.290 nan 0.000 0.533 209 F N 3.197 123.235 119.950 0.146 0.000 2.161 209 F HA -0.154 4.373 4.527 -0.000 0.000 0.300 209 F C 2.811 178.682 175.800 0.118 0.000 1.089 209 F CA 2.285 60.340 58.000 0.091 0.000 1.282 209 F CB -0.436 38.513 39.000 -0.085 0.000 1.010 209 F HN 0.180 nan 8.300 nan 0.000 0.485 210 T N -2.214 112.409 114.554 0.115 0.000 2.915 210 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 210 T C 1.956 176.643 174.700 -0.021 0.000 1.071 210 T CA 1.284 63.393 62.100 0.016 0.000 1.132 210 T CB -1.157 67.848 68.868 0.228 0.000 0.878 210 T HN 0.174 nan 8.240 nan 0.000 0.479 211 V N 1.366 121.295 119.914 0.025 0.000 2.307 211 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 211 V C 2.922 179.001 176.094 -0.024 0.000 1.045 211 V CA 1.200 63.502 62.300 0.003 0.000 1.024 211 V CB -0.716 31.106 31.823 -0.002 0.000 0.651 211 V HN 0.373 nan 8.190 nan 0.000 0.449 212 V N -0.442 119.463 119.914 -0.014 0.000 2.343 212 V HA -0.287 3.833 4.120 -0.000 0.000 0.247 212 V C 2.518 178.601 176.094 -0.019 0.000 1.051 212 V CA 1.821 64.151 62.300 0.049 0.000 1.036 212 V CB -0.622 31.303 31.823 0.169 0.000 0.654 212 V HN 0.417 nan 8.190 nan 0.000 0.451 213 M N -0.345 119.149 119.600 -0.178 0.000 2.296 213 M HA -0.083 4.397 4.480 -0.000 0.000 0.265 213 M C 2.323 178.607 176.300 -0.027 0.000 1.064 213 M CA 1.904 57.105 55.300 -0.165 0.000 1.109 213 M CB -1.330 31.064 32.600 -0.344 0.000 1.396 213 M HN 0.433 nan 8.290 nan 0.000 0.430 214 A N 0.273 123.092 122.820 -0.003 0.000 1.897 214 A HA -0.066 4.254 4.320 -0.000 0.000 0.215 214 A C 2.165 179.794 177.584 0.075 0.000 1.181 214 A CA 0.969 53.040 52.037 0.057 0.000 0.620 214 A CB -0.837 18.189 19.000 0.044 0.000 0.821 214 A HN 0.464 nan 8.150 nan 0.000 0.443 215 L N -0.043 121.213 121.223 0.056 0.000 2.450 215 L HA -0.128 4.212 4.340 -0.000 0.000 0.224 215 L C 2.112 179.042 176.870 0.099 0.000 1.149 215 L CA 0.307 55.194 54.840 0.078 0.000 0.816 215 L CB -0.462 41.652 42.059 0.090 0.000 0.932 215 L HN 0.394 nan 8.230 nan 0.000 0.449 216 L N -0.730 120.547 121.223 0.091 0.000 2.141 216 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 216 L C 0.415 177.342 176.870 0.095 0.000 1.094 216 L CA 0.889 55.784 54.840 0.091 0.000 0.763 216 L CB -0.112 41.993 42.059 0.076 0.000 0.908 216 L HN 0.235 nan 8.230 nan 0.000 0.437 217 D N -0.480 119.990 120.400 0.118 0.000 2.584 217 D HA 0.177 4.817 4.640 -0.000 0.000 0.238 217 D C -2.653 173.800 176.300 0.254 0.000 1.302 217 D CA -1.427 52.662 54.000 0.148 0.000 0.884 217 D CB 1.167 42.027 40.800 0.101 0.000 1.456 217 D HN -0.161 nan 8.370 nan 0.000 0.528 218 P HA 0.146 nan 4.420 nan 0.000 0.279 218 P C -0.084 177.337 177.300 0.202 0.000 1.239 218 P CA -0.313 62.899 63.100 0.186 0.000 0.789 218 P CB 0.706 32.457 31.700 0.085 0.000 0.933 219 H N 5.161 124.181 119.070 -0.083 0.000 2.790 219 H HA 0.045 4.601 4.556 -0.000 0.000 0.358 219 H C -1.193 174.029 175.328 -0.178 0.000 1.103 219 H CA -1.035 54.758 56.048 -0.426 0.000 1.426 219 H CB 0.797 30.084 29.762 -0.791 0.000 1.424 219 H HN 0.256 nan 8.280 nan 0.000 0.599 220 P HA -0.084 nan 4.420 nan 0.000 0.228 220 P C 0.697 177.986 177.300 -0.018 0.000 1.151 220 P CA 1.124 64.147 63.100 -0.127 0.000 0.770 220 P CB 0.049 31.643 31.700 -0.177 0.000 0.786 221 A N -0.590 122.326 122.820 0.161 0.000 2.178 221 A HA 0.058 4.378 4.320 -0.000 0.000 0.211 221 A C 1.143 178.710 177.584 -0.030 0.000 1.157 221 A CA -0.021 52.052 52.037 0.059 0.000 0.780 221 A CB -0.818 18.201 19.000 0.031 0.000 0.828 221 A HN 0.185 nan 8.150 nan 0.000 0.476 222 L N 0.940 122.149 121.223 -0.023 0.000 2.454 222 L HA 0.212 4.552 4.340 -0.000 0.000 0.284 222 L C 0.725 177.531 176.870 -0.107 0.000 1.139 222 L CA 0.105 54.901 54.840 -0.073 0.000 0.911 222 L CB 0.128 42.159 42.059 -0.047 0.000 1.262 222 L HN 0.018 nan 8.230 nan 0.000 0.453 223 K N 3.414 123.725 120.400 -0.148 0.000 2.361 223 K HA 0.256 4.576 4.320 -0.000 0.000 0.196 223 K C 0.026 176.419 176.600 -0.345 0.000 1.039 223 K CA 0.379 56.552 56.287 -0.191 0.000 1.001 223 K CB 0.269 32.695 32.500 -0.124 0.000 0.795 223 K HN 0.406 nan 8.250 nan 0.000 0.495 224 V N -0.839 118.848 119.914 -0.379 0.000 3.167 224 V HA 0.669 4.789 4.120 -0.000 0.000 0.293 224 V C -2.063 173.823 176.094 -0.346 0.000 1.379 224 V CA -0.784 61.217 62.300 -0.497 0.000 1.019 224 V CB 2.225 33.563 31.823 -0.808 0.000 1.115 224 V HN 0.137 nan 8.190 nan 0.000 0.442 225 A N 3.650 126.395 122.820 -0.125 0.000 2.475 225 A HA 1.023 5.343 4.320 -0.000 0.000 0.301 225 A C -0.500 177.195 177.584 0.185 0.000 1.059 225 A CA -0.142 51.917 52.037 0.037 0.000 0.710 225 A CB 2.076 21.025 19.000 -0.085 0.000 1.288 225 A HN 2.288 nan 8.150 nan 0.000 0.408 226 A N 2.618 125.552 122.820 0.190 0.000 2.943 226 A HA 0.705 5.025 4.320 -0.000 0.000 0.327 226 A C -3.095 174.397 177.584 -0.154 0.000 1.141 226 A CA -1.322 50.699 52.037 -0.028 0.000 0.773 226 A CB 0.316 19.232 19.000 -0.139 0.000 1.143 226 A HN 0.424 nan 8.150 nan 0.000 0.463 227 P HA 0.330 nan 4.420 nan 0.000 0.276 227 P C -0.509 176.765 177.300 -0.043 0.000 1.235 227 P CA 0.392 63.394 63.100 -0.165 0.000 0.772 227 P CB 0.776 32.283 31.700 -0.321 0.000 0.871 228 E N 1.340 121.556 120.200 0.027 0.000 2.176 228 E HA 0.281 4.631 4.350 -0.000 0.000 0.267 228 E C -0.149 176.523 176.600 0.121 0.000 0.893 228 E CA -0.738 55.682 56.400 0.033 0.000 0.761 228 E CB 0.778 30.459 29.700 -0.031 0.000 1.133 228 E HN 0.232 nan 8.360 nan 0.000 0.409 229 S N 2.417 118.213 115.700 0.159 0.000 3.348 229 S HA -0.142 4.328 4.470 -0.000 0.000 0.366 229 S C -2.131 172.654 174.600 0.308 0.000 0.953 229 S CA 0.266 58.613 58.200 0.244 0.000 1.255 229 S CB -1.537 61.802 63.200 0.231 0.000 0.906 229 S HN 0.472 nan 8.310 nan 0.000 0.495 230 P HA 0.245 nan 4.420 nan 0.000 0.276 230 P C -0.135 177.339 177.300 0.290 0.000 1.244 230 P CA -0.581 62.711 63.100 0.320 0.000 0.801 230 P CB 0.536 32.455 31.700 0.364 0.000 1.006 231 M N 2.035 121.791 119.600 0.261 0.000 2.108 231 M HA 0.111 4.591 4.480 -0.000 0.000 0.347 231 M C 0.834 177.305 176.300 0.285 0.000 1.326 231 M CA -0.186 55.203 55.300 0.149 0.000 1.126 231 M CB 0.621 33.192 32.600 -0.048 0.000 1.606 231 M HN 0.105 nan 8.290 nan 0.000 0.462 232 V N 0.331 120.401 119.914 0.259 0.000 2.911 232 V HA 0.137 4.257 4.120 -0.000 0.000 0.237 232 V C 0.146 176.396 176.094 0.258 0.000 1.156 232 V CA 0.814 63.297 62.300 0.304 0.000 1.180 232 V CB 0.526 32.542 31.823 0.322 0.000 0.932 232 V HN 0.758 nan 8.190 nan 0.000 0.483 233 D N 0.029 120.532 120.400 0.172 0.000 2.358 233 D HA 0.315 4.955 4.640 -0.000 0.000 0.253 233 D C 0.968 177.229 176.300 -0.065 0.000 1.288 233 D CA 0.347 54.390 54.000 0.071 0.000 0.950 233 D CB 1.577 42.325 40.800 -0.088 0.000 1.197 233 D HN 0.180 nan 8.370 nan 0.000 0.550 234 G N 1.835 110.679 108.800 0.073 0.000 2.509 234 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 234 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 234 G C 1.065 175.947 174.900 -0.031 0.000 1.124 234 G CA 0.180 45.245 45.100 -0.057 0.000 0.776 234 G HN 0.536 nan 8.290 nan 0.000 0.547 235 W N -0.023 121.088 121.300 -0.314 0.000 2.630 235 W HA 0.236 4.896 4.660 -0.000 0.000 0.275 235 W C 2.444 178.537 176.519 -0.710 0.000 1.192 235 W CA 0.248 57.291 57.345 -0.504 0.000 1.410 235 W CB 0.205 29.250 29.460 -0.691 0.000 1.075 235 W HN -0.039 nan 8.180 nan 0.000 0.581 236 M N -0.249 118.960 119.600 -0.651 0.000 2.067 236 M HA 0.065 4.545 4.480 -0.000 0.000 0.260 236 M C 1.555 176.925 176.300 -1.549 0.000 1.069 236 M CA 2.082 56.557 55.300 -1.374 0.000 1.117 236 M CB -1.517 29.810 32.600 -2.122 0.000 1.334 236 M HN 0.248 nan 8.290 nan 0.000 0.407 237 G N -1.124 106.910 108.800 -1.277 0.000 5.371 237 G HA2 0.132 4.092 3.960 -0.000 0.000 0.208 237 G HA3 0.132 4.092 3.960 -0.000 0.000 0.208 237 G C -0.174 174.423 174.900 -0.504 0.000 0.815 237 G CA -0.378 44.128 45.100 -0.991 0.000 0.735 237 G HN 0.204 nan 8.290 nan 0.000 0.284 238 D N 0.082 120.301 120.400 -0.301 0.000 2.976 238 D HA 0.144 4.784 4.640 -0.000 0.000 0.239 238 D C 0.919 177.114 176.300 -0.174 0.000 1.198 238 D CA -0.189 53.729 54.000 -0.137 0.000 1.171 238 D CB 0.665 41.388 40.800 -0.129 0.000 1.012 238 D HN -0.098 nan 8.370 nan 0.000 0.318 239 D N -0.528 119.587 120.400 -0.475 0.000 2.183 239 D HA -0.024 4.616 4.640 -0.000 0.000 0.205 239 D C 2.194 178.167 176.300 -0.546 0.000 0.962 239 D CA 0.695 54.279 54.000 -0.693 0.000 0.849 239 D CB 0.151 40.199 40.800 -1.252 0.000 0.978 239 D HN 0.385 nan 8.370 nan 0.000 0.488 240 W N -0.126 121.108 121.300 -0.109 0.000 2.525 240 W HA 0.107 4.767 4.660 0.000 0.000 0.288 240 W C 0.541 176.702 176.519 -0.598 0.000 1.200 240 W CA -0.430 56.757 57.345 -0.262 0.000 1.349 240 W CB 0.086 29.566 29.460 0.033 0.000 1.102 240 W HN -0.220 nan 8.180 nan 0.000 0.558 241 F N -1.602 118.311 119.950 -0.061 0.000 2.643 241 F HA 0.405 4.932 4.527 -0.000 0.000 0.314 241 F C -0.345 175.339 175.800 -0.193 0.000 1.096 241 F CA -1.374 56.493 58.000 -0.223 0.000 0.953 241 F CB 1.212 39.761 39.000 -0.751 0.000 1.345 241 F HN -0.301 nan 8.300 nan 0.000 0.468 242 H N 1.484 120.467 119.070 -0.145 0.000 2.887 242 H HA 0.219 4.775 4.556 -0.000 0.000 0.300 242 H C -1.156 173.927 175.328 -0.408 0.000 1.038 242 H CA -0.853 55.030 56.048 -0.275 0.000 1.352 242 H CB 0.712 30.483 29.762 0.016 0.000 1.473 242 H HN 0.669 nan 8.280 nan 0.000 0.503 243 Y N 1.727 121.654 120.300 -0.623 0.000 3.168 243 Y HA -0.305 4.245 4.550 -0.000 0.000 0.207 243 Y C 1.561 176.911 175.900 -0.916 0.000 1.280 243 Y CA 1.379 59.018 58.100 -0.769 0.000 1.235 243 Y CB -1.801 36.341 38.460 -0.529 0.000 1.370 243 Y HN 1.130 nan 8.280 nan 0.000 0.537 244 G N -2.048 105.864 108.800 -1.480 0.000 2.225 244 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.254 244 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.254 244 G C 0.392 175.194 174.900 -0.165 0.000 0.988 244 G CA -0.088 44.289 45.100 -1.205 0.000 0.625 244 G HN 1.603 nan 8.290 nan 0.000 0.527 245 A N 0.340 123.135 122.820 -0.041 0.000 2.309 245 A HA 0.659 4.979 4.320 -0.000 0.000 0.290 245 A C -0.150 177.652 177.584 0.364 0.000 1.206 245 A CA -0.319 51.815 52.037 0.163 0.000 0.850 245 A CB 0.286 19.272 19.000 -0.023 0.000 1.118 245 A HN 1.260 nan 8.150 nan 0.000 0.523 246 F N 2.838 122.890 119.950 0.170 0.000 2.443 246 F HA 0.403 4.930 4.527 -0.000 0.000 0.353 246 F C 0.746 176.438 175.800 -0.180 0.000 1.101 246 F CA -0.294 57.621 58.000 -0.140 0.000 1.226 246 F CB 0.733 39.674 39.000 -0.098 0.000 1.140 246 F HN 0.572 nan 8.300 nan 0.000 0.557 247 R N 5.670 125.443 120.500 -1.212 0.000 2.196 247 R HA 0.129 4.469 4.340 -0.000 0.000 0.340 247 R C 0.831 176.069 176.300 -1.769 0.000 1.043 247 R CA -0.240 55.066 56.100 -1.324 0.000 0.883 247 R CB 0.705 30.407 30.300 -0.998 0.000 1.078 247 R HN 0.775 nan 8.270 nan 0.000 0.462 248 Q N 1.385 120.342 119.800 -1.405 0.000 2.488 248 Q HA -0.056 4.284 4.340 -0.000 0.000 0.211 248 Q C 1.669 176.774 176.000 -1.493 0.000 0.967 248 Q CA 0.901 55.913 55.803 -1.318 0.000 0.926 248 Q CB 0.365 28.426 28.738 -1.127 0.000 0.992 248 Q HN 0.869 nan 8.270 nan 0.000 0.506 249 G N 0.783 108.522 108.800 -1.768 0.000 2.484 249 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.218 249 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.218 249 G C 1.456 175.714 174.900 -1.070 0.000 1.130 249 G CA 0.586 44.549 45.100 -1.896 0.000 0.784 249 G HN 0.384 nan 8.290 nan 0.000 0.543 250 A N 0.600 122.811 122.820 -1.016 0.000 2.024 250 A HA 0.060 4.380 4.320 -0.000 0.000 0.220 250 A C 1.995 178.900 177.584 -1.132 0.000 1.164 250 A CA 1.150 52.670 52.037 -0.861 0.000 0.643 250 A CB -0.478 18.083 19.000 -0.732 0.000 0.806 250 A HN 0.270 nan 8.150 nan 0.000 0.451 251 F N 0.672 120.215 119.950 -0.678 0.000 2.075 251 F HA -0.143 4.384 4.527 0.000 0.000 0.297 251 F C 2.199 177.830 175.800 -0.282 0.000 1.113 251 F CA 1.298 59.043 58.000 -0.425 0.000 1.218 251 F CB -0.837 38.098 39.000 -0.108 0.000 0.984 251 F HN 0.222 nan 8.300 nan 0.000 0.472 252 D N -1.038 119.328 120.400 -0.056 0.000 2.123 252 D HA -0.258 4.382 4.640 -0.000 0.000 0.196 252 D C 2.149 178.446 176.300 -0.005 0.000 0.992 252 D CA 1.423 55.406 54.000 -0.028 0.000 0.833 252 D CB -0.816 39.946 40.800 -0.064 0.000 0.954 252 D HN 0.332 nan 8.370 nan 0.000 0.455 253 Y N 0.763 120.964 120.300 -0.165 0.000 2.128 253 Y HA -0.279 4.271 4.550 -0.000 0.000 0.284 253 Y C 2.322 178.319 175.900 0.162 0.000 1.154 253 Y CA 1.668 59.763 58.100 -0.009 0.000 1.149 253 Y CB -0.579 37.881 38.460 -0.001 0.000 0.976 253 Y HN -0.075 nan 8.280 nan 0.000 0.505 254 F N -1.313 118.726 119.950 0.149 0.000 2.069 254 F HA -0.319 4.208 4.527 -0.000 0.000 0.298 254 F C 2.312 178.086 175.800 -0.044 0.000 1.113 254 F CA 1.050 59.089 58.000 0.064 0.000 1.214 254 F CB -0.772 38.278 39.000 0.084 0.000 0.978 254 F HN -0.109 nan 8.300 nan 0.000 0.474 255 V N -0.993 118.961 119.914 0.067 0.000 2.515 255 V HA -0.263 3.856 4.120 -0.000 0.000 0.250 255 V C 2.320 178.449 176.094 0.060 0.000 1.058 255 V CA 1.978 64.277 62.300 -0.001 0.000 1.064 255 V CB -0.508 31.274 31.823 -0.069 0.000 0.675 255 V HN 0.354 nan 8.190 nan 0.000 0.461 256 S N -1.217 114.486 115.700 0.005 0.000 2.436 256 S HA -0.118 4.352 4.470 -0.000 0.000 0.228 256 S C 1.873 176.431 174.600 -0.070 0.000 1.014 256 S CA 0.926 59.110 58.200 -0.026 0.000 0.950 256 S CB -0.014 63.164 63.200 -0.036 0.000 0.784 256 S HN 0.574 nan 8.310 nan 0.000 0.504 257 Q N -0.469 119.254 119.800 -0.127 0.000 2.350 257 Q HA 0.352 4.692 4.340 -0.000 0.000 0.225 257 Q C 0.911 176.876 176.000 -0.058 0.000 0.878 257 Q CA 0.393 56.092 55.803 -0.173 0.000 0.935 257 Q CB 0.350 28.866 28.738 -0.370 0.000 1.099 257 Q HN 0.554 nan 8.270 nan 0.000 0.527 258 M N -0.625 119.046 119.600 0.119 0.000 2.416 258 M HA 0.144 4.624 4.480 -0.000 0.000 0.337 258 M C 0.883 177.321 176.300 0.230 0.000 1.074 258 M CA 0.109 55.545 55.300 0.227 0.000 0.968 258 M CB 0.868 33.693 32.600 0.375 0.000 1.472 258 M HN -0.148 nan 8.290 nan 0.000 0.539 259 T N 0.949 115.616 114.554 0.188 0.000 2.978 259 T HA 0.266 4.616 4.350 -0.000 0.000 0.262 259 T C 0.688 175.382 174.700 -0.010 0.000 1.063 259 T CA 0.889 63.069 62.100 0.134 0.000 1.140 259 T CB 0.208 69.160 68.868 0.141 0.000 0.886 259 T HN 0.476 nan 8.240 nan 0.000 0.470 260 A N -0.183 122.602 122.820 -0.058 0.000 2.602 260 A HA 0.683 5.003 4.320 -0.000 0.000 0.290 260 A C 0.800 178.266 177.584 -0.197 0.000 1.114 260 A CA -0.666 51.303 52.037 -0.113 0.000 0.683 260 A CB 0.769 19.698 19.000 -0.117 0.000 1.281 260 A HN 0.036 nan 8.150 nan 0.000 0.416 261 R N -0.105 120.273 120.500 -0.202 0.000 2.083 261 R HA -0.089 4.251 4.340 -0.000 0.000 0.237 261 R C 1.258 177.234 176.300 -0.540 0.000 1.137 261 R CA 2.330 58.266 56.100 -0.273 0.000 0.951 261 R CB -0.449 29.744 30.300 -0.180 0.000 0.851 261 R HN 0.892 nan 8.270 nan 0.000 0.434 262 G N -1.066 107.408 108.800 -0.543 0.000 2.666 262 G HA2 0.358 4.318 3.960 -0.000 0.000 0.207 262 G HA3 0.358 4.318 3.960 -0.000 0.000 0.207 262 G C -0.448 173.995 174.900 -0.763 0.000 1.481 262 G CA -0.227 44.325 45.100 -0.914 0.000 1.071 262 G HN 0.425 nan 8.290 nan 0.000 0.572 263 G N -1.161 107.443 108.800 -0.325 0.000 2.491 263 G HA2 0.503 4.463 3.960 -0.000 0.000 0.242 263 G HA3 0.503 4.463 3.960 -0.000 0.000 0.242 263 G C 0.186 175.044 174.900 -0.071 0.000 1.266 263 G CA 0.597 45.666 45.100 -0.052 0.000 0.844 263 G HN 0.836 nan 8.290 nan 0.000 0.571 264 G N 0.374 109.156 108.800 -0.031 0.000 3.013 264 G HA2 0.599 4.559 3.960 -0.000 0.000 0.278 264 G HA3 0.599 4.559 3.960 -0.000 0.000 0.278 264 G C -0.677 174.227 174.900 0.006 0.000 1.353 264 G CA -0.822 44.269 45.100 -0.015 0.000 1.043 264 G HN 0.591 nan 8.290 nan 0.000 0.523 265 N N -0.673 118.034 118.700 0.012 0.000 2.531 265 N HA 0.391 5.131 4.740 -0.000 0.000 0.290 265 N C -1.177 174.338 175.510 0.008 0.000 1.257 265 N CA -0.492 52.563 53.050 0.009 0.000 0.863 265 N CB 2.103 40.593 38.487 0.005 0.000 1.320 265 N HN 0.357 nan 8.380 nan 0.000 0.538 266 D N 0.283 120.686 120.400 0.004 0.000 2.411 266 D HA 0.371 5.011 4.640 -0.000 0.000 0.251 266 D C 0.137 176.435 176.300 -0.003 0.000 1.201 266 D CA -0.117 53.886 54.000 0.004 0.000 0.996 266 D CB 1.012 41.816 40.800 0.006 0.000 1.101 266 D HN 0.290 nan 8.370 nan 0.000 0.504 267 I N 2.151 122.723 120.570 0.004 0.000 2.396 267 I HA 0.150 4.320 4.170 -0.000 0.000 0.289 267 I C -1.910 174.192 176.117 -0.025 0.000 1.056 267 I CA -1.663 59.623 61.300 -0.023 0.000 1.365 267 I CB 0.717 38.709 38.000 -0.015 0.000 1.407 267 I HN 0.035 nan 8.210 nan 0.000 0.509 268 P HA 0.096 nan 4.420 nan 0.000 0.263 268 P C -0.679 176.585 177.300 -0.059 0.000 1.195 268 P CA -0.039 63.031 63.100 -0.050 0.000 0.762 268 P CB 0.395 32.059 31.700 -0.061 0.000 0.799 269 R N 2.627 123.109 120.500 -0.031 0.000 2.668 269 R HA 0.333 4.673 4.340 -0.000 0.000 0.279 269 R C 1.142 177.425 176.300 -0.028 0.000 0.976 269 R CA -0.855 55.233 56.100 -0.021 0.000 0.978 269 R CB 1.276 31.581 30.300 0.008 0.000 1.133 269 R HN 0.336 nan 8.270 nan 0.000 0.484 270 R N 0.563 121.047 120.500 -0.027 0.000 2.057 270 R HA 0.049 4.389 4.340 -0.000 0.000 0.224 270 R C 0.131 176.428 176.300 -0.005 0.000 1.136 270 R CA 1.508 57.595 56.100 -0.022 0.000 0.968 270 R CB 0.010 30.294 30.300 -0.026 0.000 0.863 270 R HN 0.621 nan 8.270 nan 0.000 0.433 271 D N -1.552 118.854 120.400 0.009 0.000 2.272 271 D HA 0.285 4.925 4.640 -0.000 0.000 0.247 271 D C 0.069 176.376 176.300 0.012 0.000 0.990 271 D CA 0.244 54.255 54.000 0.019 0.000 0.931 271 D CB 2.163 42.988 40.800 0.043 0.000 1.195 271 D HN 0.236 nan 8.370 nan 0.000 0.477 272 A N 2.026 124.850 122.820 0.006 0.000 2.014 272 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 272 A C 0.817 178.390 177.584 -0.019 0.000 1.163 272 A CA 0.900 52.929 52.037 -0.012 0.000 0.652 272 A CB 0.039 19.031 19.000 -0.012 0.000 0.808 272 A HN 0.498 nan 8.150 nan 0.000 0.449 273 D N -0.351 120.060 120.400 0.018 0.000 2.317 273 D HA 0.270 4.910 4.640 -0.000 0.000 0.234 273 D C -0.182 176.173 176.300 0.093 0.000 1.112 273 D CA -0.473 53.554 54.000 0.046 0.000 0.840 273 D CB 0.830 41.683 40.800 0.088 0.000 1.078 273 D HN 0.018 nan 8.370 nan 0.000 0.486 274 D N 2.376 122.804 120.400 0.047 0.000 2.264 274 D HA -0.181 4.459 4.640 -0.000 0.000 0.208 274 D C 1.325 177.786 176.300 0.269 0.000 0.966 274 D CA 0.640 54.728 54.000 0.147 0.000 0.864 274 D CB -0.065 40.746 40.800 0.019 0.000 0.933 274 D HN 0.577 nan 8.370 nan 0.000 0.499 275 Y N 1.354 121.735 120.300 0.134 0.000 2.224 275 Y HA -0.226 4.324 4.550 -0.000 0.000 0.289 275 Y C 2.242 178.346 175.900 0.341 0.000 1.146 275 Y CA 1.623 59.882 58.100 0.263 0.000 1.182 275 Y CB -0.197 38.408 38.460 0.242 0.000 0.983 275 Y HN -0.115 nan 8.280 nan 0.000 0.524 276 T N 0.467 115.277 114.554 0.426 0.000 2.770 276 T HA -0.133 4.217 4.350 -0.000 0.000 0.263 276 T C 1.642 176.460 174.700 0.197 0.000 1.039 276 T CA 1.255 63.527 62.100 0.286 0.000 1.142 276 T CB -0.257 68.735 68.868 0.207 0.000 0.868 276 T HN 0.367 nan 8.240 nan 0.000 0.435 277 N N 0.989 119.791 118.700 0.169 0.000 2.069 277 N HA -0.043 4.697 4.740 -0.000 0.000 0.191 277 N C 1.601 177.148 175.510 0.062 0.000 1.031 277 N CA 1.277 54.379 53.050 0.086 0.000 0.852 277 N CB -0.525 37.984 38.487 0.037 0.000 1.018 277 N HN 0.360 nan 8.380 nan 0.000 0.423 278 F N 0.598 120.611 119.950 0.104 0.000 2.206 278 F HA -0.010 4.517 4.527 -0.000 0.000 0.298 278 F C 2.176 178.122 175.800 0.243 0.000 1.090 278 F CA 0.193 58.256 58.000 0.106 0.000 1.323 278 F CB -0.333 38.590 39.000 -0.128 0.000 1.028 278 F HN -0.022 nan 8.300 nan 0.000 0.492 279 L N 0.582 122.040 121.223 0.391 0.000 2.056 279 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 279 L C 2.080 178.973 176.870 0.039 0.000 1.078 279 L CA 1.861 56.761 54.840 0.101 0.000 0.749 279 L CB -0.679 41.331 42.059 -0.081 0.000 0.901 279 L HN -0.028 nan 8.230 nan 0.000 0.433 280 K N -0.873 119.572 120.400 0.075 0.000 2.148 280 K HA -0.024 4.296 4.320 -0.000 0.000 0.204 280 K C 1.989 178.616 176.600 0.044 0.000 1.050 280 K CA 1.034 57.345 56.287 0.040 0.000 0.942 280 K CB -0.224 32.301 32.500 0.042 0.000 0.724 280 K HN 0.427 nan 8.250 nan 0.000 0.446 281 A N 0.874 123.748 122.820 0.090 0.000 1.968 281 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 281 A C 1.458 179.112 177.584 0.117 0.000 1.169 281 A CA 1.666 53.766 52.037 0.105 0.000 0.638 281 A CB -0.443 18.677 19.000 0.200 0.000 0.812 281 A HN 0.444 nan 8.150 nan 0.000 0.446 282 G N -0.953 107.914 108.800 0.111 0.000 3.076 282 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.256 282 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.256 282 G C 0.631 175.640 174.900 0.182 0.000 1.589 282 G CA 0.711 45.841 45.100 0.050 0.000 1.044 282 G HN 1.712 nan 8.290 nan 0.000 0.563 283 S N 1.394 117.273 115.700 0.299 0.000 2.632 283 S HA 0.706 5.176 4.470 -0.000 0.000 0.267 283 S C 1.707 176.594 174.600 0.478 0.000 1.276 283 S CA 0.657 59.115 58.200 0.431 0.000 0.998 283 S CB 1.552 65.008 63.200 0.427 0.000 0.953 283 S HN 2.184 nan 8.310 nan 0.000 0.547 284 A N 1.720 124.896 122.820 0.592 0.000 1.908 284 A HA 0.106 4.426 4.320 -0.000 0.000 0.218 284 A C 2.168 180.125 177.584 0.622 0.000 1.181 284 A CA 1.751 54.244 52.037 0.760 0.000 0.627 284 A CB -1.796 17.768 19.000 0.941 0.000 0.818 284 A HN 1.152 nan 8.150 nan 0.000 0.445 285 G N -1.153 108.021 108.800 0.622 0.000 2.408 285 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.217 285 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.217 285 G C 1.884 176.945 174.900 0.268 0.000 1.150 285 G CA 1.401 46.820 45.100 0.532 0.000 0.776 285 G HN 0.570 nan 8.290 nan 0.000 0.542 286 S N -0.482 115.369 115.700 0.253 0.000 2.383 286 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 286 S C 2.012 176.632 174.600 0.033 0.000 1.026 286 S CA 1.161 59.443 58.200 0.136 0.000 0.981 286 S CB -0.367 62.929 63.200 0.160 0.000 0.818 286 S HN 0.364 nan 8.310 nan 0.000 0.472 287 F N 2.187 122.080 119.950 -0.095 0.000 2.113 287 F HA 0.096 4.623 4.527 -0.000 0.000 0.297 287 F C 2.305 177.812 175.800 -0.489 0.000 1.103 287 F CA 1.210 59.037 58.000 -0.288 0.000 1.248 287 F CB -0.800 38.023 39.000 -0.296 0.000 0.999 287 F HN 0.264 nan 8.300 nan 0.000 0.475 288 A N -0.436 122.081 122.820 -0.505 0.000 1.902 288 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 288 A C 2.180 179.489 177.584 -0.457 0.000 1.181 288 A CA 2.336 53.879 52.037 -0.823 0.000 0.623 288 A CB -1.446 16.893 19.000 -1.101 0.000 0.818 288 A HN 0.439 nan 8.150 nan 0.000 0.443 289 T N -0.005 114.411 114.554 -0.229 0.000 2.708 289 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 289 T C 2.024 176.601 174.700 -0.205 0.000 1.037 289 T CA 1.762 63.782 62.100 -0.133 0.000 1.146 289 T CB -0.280 68.559 68.868 -0.048 0.000 0.865 289 T HN 0.623 nan 8.240 nan 0.000 0.435 290 Q N 0.303 119.932 119.800 -0.285 0.000 2.291 290 Q HA 0.082 4.422 4.340 -0.000 0.000 0.206 290 Q C 2.275 178.037 176.000 -0.398 0.000 0.976 290 Q CA 1.072 56.683 55.803 -0.320 0.000 0.875 290 Q CB -0.126 28.394 28.738 -0.362 0.000 0.927 290 Q HN 0.516 nan 8.270 nan 0.000 0.450 291 A N -0.400 122.105 122.820 -0.525 0.000 2.275 291 A HA 0.330 4.650 4.320 -0.000 0.000 0.212 291 A C 1.414 178.833 177.584 -0.275 0.000 1.201 291 A CA 0.661 52.410 52.037 -0.480 0.000 0.843 291 A CB -0.046 18.564 19.000 -0.650 0.000 0.873 291 A HN 0.406 nan 8.150 nan 0.000 0.492 292 G N -0.958 107.720 108.800 -0.204 0.000 2.136 292 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.242 292 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.242 292 G C 0.676 175.591 174.900 0.024 0.000 0.989 292 G CA 0.439 45.502 45.100 -0.062 0.000 0.682 292 G HN 0.431 nan 8.290 nan 0.000 0.522 293 L N 0.063 121.210 121.223 -0.127 0.000 2.465 293 L HA 0.085 4.425 4.340 -0.000 0.000 0.224 293 L C 2.110 179.133 176.870 0.256 0.000 1.145 293 L CA 0.867 55.651 54.840 -0.094 0.000 0.834 293 L CB -0.128 41.632 42.059 -0.498 0.000 0.944 293 L HN 0.088 nan 8.230 nan 0.000 0.451 294 D N 0.182 120.701 120.400 0.198 0.000 2.309 294 D HA -0.203 4.437 4.640 -0.000 0.000 0.212 294 D C 1.998 178.402 176.300 0.172 0.000 0.968 294 D CA 0.890 55.021 54.000 0.219 0.000 0.882 294 D CB 0.059 40.906 40.800 0.078 0.000 0.918 294 D HN 0.588 nan 8.370 nan 0.000 0.503 295 Q N -0.594 119.328 119.800 0.204 0.000 2.360 295 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 295 Q C -0.193 175.850 176.000 0.072 0.000 0.915 295 Q CA -0.022 55.840 55.803 0.098 0.000 0.943 295 Q CB -0.099 28.654 28.738 0.024 0.000 1.064 295 Q HN 0.260 nan 8.270 nan 0.000 0.511 296 Y N 1.692 122.044 120.300 0.088 0.000 2.383 296 Y HA 0.225 4.775 4.550 -0.000 0.000 0.344 296 Y C -1.558 174.392 175.900 0.083 0.000 0.986 296 Y CA -2.524 55.636 58.100 0.100 0.000 1.175 296 Y CB 1.377 39.925 38.460 0.147 0.000 1.152 296 Y HN 0.050 nan 8.280 nan 0.000 0.511 297 P HA -0.281 nan 4.420 nan 0.000 0.216 297 P C 1.587 178.922 177.300 0.059 0.000 1.157 297 P CA 1.505 64.641 63.100 0.060 0.000 0.880 297 P CB 0.037 31.762 31.700 0.041 0.000 0.791 298 F N -1.023 118.908 119.950 -0.032 0.000 2.161 298 F HA -0.158 4.369 4.527 -0.000 0.000 0.300 298 F C 2.248 177.956 175.800 -0.153 0.000 1.089 298 F CA 1.282 59.207 58.000 -0.125 0.000 1.282 298 F CB -0.735 38.128 39.000 -0.229 0.000 1.010 298 F HN 0.021 nan 8.300 nan 0.000 0.485 299 W N 1.126 122.277 121.300 -0.248 0.000 2.436 299 W HA -0.182 4.478 4.660 -0.000 0.000 0.284 299 W C 1.924 178.321 176.519 -0.203 0.000 1.225 299 W CA 1.300 58.499 57.345 -0.244 0.000 1.271 299 W CB -0.327 29.116 29.460 -0.029 0.000 1.114 299 W HN 0.158 nan 8.180 nan 0.000 0.559 300 Q N 0.336 119.919 119.800 -0.361 0.000 2.061 300 Q HA -0.219 4.121 4.340 -0.000 0.000 0.204 300 Q C 2.388 178.087 176.000 -0.502 0.000 0.984 300 Q CA 2.001 57.533 55.803 -0.451 0.000 0.846 300 Q CB -0.327 28.272 28.738 -0.232 0.000 0.902 300 Q HN 0.288 nan 8.270 nan 0.000 0.421 301 R N 0.189 120.399 120.500 -0.484 0.000 2.066 301 R HA -0.092 4.248 4.340 -0.000 0.000 0.232 301 R C 2.332 178.274 176.300 -0.596 0.000 1.131 301 R CA 1.480 57.217 56.100 -0.605 0.000 0.955 301 R CB -0.424 29.480 30.300 -0.660 0.000 0.851 301 R HN 0.332 nan 8.270 nan 0.000 0.432 302 M N 0.424 119.694 119.600 -0.549 0.000 2.108 302 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 302 M C 2.413 178.560 176.300 -0.256 0.000 1.066 302 M CA 1.735 56.936 55.300 -0.164 0.000 1.107 302 M CB -0.350 32.183 32.600 -0.112 0.000 1.356 302 M HN 0.237 nan 8.290 nan 0.000 0.406 303 H N 0.043 118.517 119.070 -0.993 0.000 2.387 303 H HA -0.078 4.477 4.556 -0.000 0.000 0.299 303 H C 1.559 176.644 175.328 -0.405 0.000 1.090 303 H CA 1.852 57.261 56.048 -1.064 0.000 1.332 303 H CB 0.089 28.983 29.762 -1.447 0.000 1.386 303 H HN 0.539 nan 8.280 nan 0.000 0.516 304 A N 0.175 122.759 122.820 -0.392 0.000 2.169 304 A HA -0.023 4.297 4.320 -0.000 0.000 0.212 304 A C 0.444 177.706 177.584 -0.537 0.000 1.153 304 A CA 0.251 52.013 52.037 -0.458 0.000 0.756 304 A CB -0.064 18.584 19.000 -0.586 0.000 0.813 304 A HN 0.462 nan 8.150 nan 0.000 0.471 305 H N -0.479 118.557 119.070 -0.057 0.000 2.429 305 H HA 0.181 4.737 4.556 -0.000 0.000 0.237 305 H C -1.992 173.622 175.328 0.478 0.000 1.378 305 H CA -1.448 54.678 56.048 0.130 0.000 1.170 305 H CB 0.369 30.112 29.762 -0.032 0.000 1.671 305 H HN 0.369 nan 8.280 nan 0.000 0.541 306 P HA -0.056 nan 4.420 nan 0.000 0.220 306 P C 0.803 178.361 177.300 0.431 0.000 1.148 306 P CA 0.607 63.981 63.100 0.456 0.000 0.803 306 P CB 0.652 32.503 31.700 0.252 0.000 0.782 307 A N -0.619 122.436 122.820 0.390 0.000 2.252 307 A HA 0.296 4.616 4.320 -0.000 0.000 0.305 307 A C -0.576 176.902 177.584 -0.178 0.000 1.097 307 A CA -0.531 51.650 52.037 0.239 0.000 0.849 307 A CB -0.162 19.017 19.000 0.299 0.000 1.142 307 A HN 0.013 nan 8.150 nan 0.000 0.499 308 Y N 2.066 121.778 120.300 -0.980 0.000 2.735 308 Y HA 0.203 4.753 4.550 -0.000 0.000 0.354 308 Y C 0.222 175.885 175.900 -0.395 0.000 1.288 308 Y CA -1.231 56.151 58.100 -1.197 0.000 1.836 308 Y CB -0.951 36.496 38.460 -1.689 0.000 1.920 308 Y HN 0.774 nan 8.280 nan 0.000 0.438 309 D N -0.057 120.216 120.400 -0.213 0.000 2.469 309 D HA 0.226 4.866 4.640 -0.000 0.000 0.278 309 D C 1.551 177.688 176.300 -0.272 0.000 1.231 309 D CA 0.115 54.022 54.000 -0.155 0.000 1.075 309 D CB 0.027 40.830 40.800 0.005 0.000 1.121 309 D HN 0.206 nan 8.370 nan 0.000 0.571 310 A N -0.926 121.776 122.820 -0.197 0.000 1.978 310 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 310 A C 1.993 179.417 177.584 -0.267 0.000 1.170 310 A CA 1.427 53.339 52.037 -0.208 0.000 0.636 310 A CB -1.236 17.686 19.000 -0.130 0.000 0.810 310 A HN 0.530 nan 8.150 nan 0.000 0.448 311 F N -0.857 118.755 119.950 -0.564 0.000 2.095 311 F HA -0.197 4.330 4.527 0.000 0.000 0.298 311 F C 1.922 177.334 175.800 -0.646 0.000 1.104 311 F CA 1.782 59.315 58.000 -0.779 0.000 1.232 311 F CB -0.506 37.617 39.000 -1.461 0.000 0.987 311 F HN 0.424 nan 8.300 nan 0.000 0.475 312 W N 0.251 121.316 121.300 -0.392 0.000 2.481 312 W HA -0.022 4.638 4.660 -0.000 0.000 0.293 312 W C 2.547 178.779 176.519 -0.478 0.000 1.201 312 W CA 0.666 57.777 57.345 -0.390 0.000 1.328 312 W CB -0.745 28.555 29.460 -0.267 0.000 1.112 312 W HN -0.036 nan 8.180 nan 0.000 0.546 313 Q N 0.048 119.535 119.800 -0.522 0.000 2.112 313 Q HA -0.161 4.179 4.340 -0.000 0.000 0.206 313 Q C 2.429 178.319 176.000 -0.183 0.000 0.987 313 Q CA 1.583 57.109 55.803 -0.462 0.000 0.858 313 Q CB -0.856 27.607 28.738 -0.457 0.000 0.905 313 Q HN 0.425 nan 8.270 nan 0.000 0.420 314 G N 0.271 108.957 108.800 -0.192 0.000 2.559 314 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 314 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 314 G C 0.924 175.782 174.900 -0.070 0.000 1.126 314 G CA 0.262 45.286 45.100 -0.125 0.000 0.778 314 G HN 0.324 nan 8.290 nan 0.000 0.543 315 Q N -0.396 119.376 119.800 -0.047 0.000 2.179 315 Q HA 0.383 4.723 4.340 -0.000 0.000 0.213 315 Q C 0.663 176.771 176.000 0.180 0.000 0.833 315 Q CA -0.347 55.499 55.803 0.072 0.000 0.990 315 Q CB 1.213 29.990 28.738 0.065 0.000 1.132 315 Q HN 0.308 nan 8.270 nan 0.000 0.493 316 A N 1.437 124.350 122.820 0.156 0.000 2.671 316 A HA 0.198 4.518 4.320 -0.000 0.000 0.306 316 A C 0.980 178.676 177.584 0.187 0.000 1.473 316 A CA -0.124 52.035 52.037 0.205 0.000 1.155 316 A CB -0.318 18.813 19.000 0.219 0.000 1.123 316 A HN 0.407 nan 8.150 nan 0.000 0.545 317 L N 1.063 122.414 121.223 0.214 0.000 2.191 317 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 317 L C 2.182 179.159 176.870 0.177 0.000 1.103 317 L CA 1.312 56.269 54.840 0.195 0.000 0.769 317 L CB -0.504 41.690 42.059 0.225 0.000 0.908 317 L HN 0.792 nan 8.230 nan 0.000 0.438 318 D N 0.125 120.637 120.400 0.188 0.000 2.117 318 D HA -0.205 4.435 4.640 -0.000 0.000 0.197 318 D C 1.810 178.180 176.300 0.116 0.000 0.987 318 D CA 1.149 55.233 54.000 0.139 0.000 0.829 318 D CB -0.277 40.625 40.800 0.169 0.000 0.961 318 D HN 0.175 nan 8.370 nan 0.000 0.460 319 K N 0.323 120.806 120.400 0.138 0.000 2.025 319 K HA -0.012 4.308 4.320 -0.000 0.000 0.207 319 K C 2.357 179.011 176.600 0.091 0.000 1.049 319 K CA 0.284 56.639 56.287 0.112 0.000 0.933 319 K CB -0.337 32.236 32.500 0.121 0.000 0.714 319 K HN 0.262 nan 8.250 nan 0.000 0.438 320 I N 1.206 121.835 120.570 0.097 0.000 2.127 320 I HA -0.247 3.923 4.170 -0.000 0.000 0.241 320 I C 2.443 178.614 176.117 0.090 0.000 1.075 320 I CA 0.913 62.264 61.300 0.086 0.000 1.334 320 I CB -1.025 37.029 38.000 0.090 0.000 1.040 320 I HN 0.058 nan 8.210 nan 0.000 0.405 321 L N 1.429 122.717 121.223 0.109 0.000 2.083 321 L HA -0.099 4.240 4.340 -0.000 0.000 0.209 321 L C 2.558 179.485 176.870 0.095 0.000 1.083 321 L CA 1.982 56.895 54.840 0.121 0.000 0.752 321 L CB -0.839 41.324 42.059 0.174 0.000 0.899 321 L HN 0.199 nan 8.230 nan 0.000 0.433 322 A N -1.317 121.545 122.820 0.071 0.000 1.972 322 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 322 A C 2.175 179.787 177.584 0.045 0.000 1.169 322 A CA 1.737 53.800 52.037 0.045 0.000 0.635 322 A CB -0.476 18.541 19.000 0.027 0.000 0.810 322 A HN 0.647 nan 8.150 nan 0.000 0.446 323 Q N -1.048 118.783 119.800 0.052 0.000 2.172 323 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 323 Q C 2.132 178.161 176.000 0.048 0.000 0.964 323 Q CA 0.896 56.727 55.803 0.046 0.000 0.855 323 Q CB -0.059 28.707 28.738 0.047 0.000 0.918 323 Q HN 0.438 nan 8.270 nan 0.000 0.444 324 R N 0.937 121.473 120.500 0.060 0.000 2.161 324 R HA 0.043 4.383 4.340 -0.000 0.000 0.213 324 R C 0.151 176.488 176.300 0.062 0.000 1.055 324 R CA 0.390 56.527 56.100 0.062 0.000 0.996 324 R CB -0.077 30.268 30.300 0.074 0.000 0.901 324 R HN 0.166 nan 8.270 nan 0.000 0.456 325 K N 1.236 121.675 120.400 0.066 0.000 3.974 325 K HA -0.115 4.205 4.320 -0.000 0.000 0.280 325 K C -2.313 174.330 176.600 0.071 0.000 0.949 325 K CA 0.086 56.412 56.287 0.064 0.000 0.817 325 K CB -1.091 31.437 32.500 0.047 0.000 1.535 325 K HN 0.267 nan 8.250 nan 0.000 0.444 326 P HA -0.018 nan 4.420 nan 0.000 0.272 326 P C 0.666 178.010 177.300 0.073 0.000 1.230 326 P CA 0.074 63.225 63.100 0.084 0.000 0.788 326 P CB 0.860 32.624 31.700 0.106 0.000 0.949 327 T N -3.271 111.311 114.554 0.047 0.000 3.044 327 T HA 0.162 4.512 4.350 -0.000 0.000 0.260 327 T C 0.525 175.220 174.700 -0.008 0.000 1.019 327 T CA -0.194 61.924 62.100 0.030 0.000 0.921 327 T CB -0.376 68.507 68.868 0.024 0.000 1.053 327 T HN 0.079 nan 8.240 nan 0.000 0.533 328 V N 4.024 123.927 119.914 -0.018 0.000 2.508 328 V HA 0.275 4.395 4.120 -0.000 0.000 0.281 328 V C -2.173 173.864 176.094 -0.094 0.000 1.041 328 V CA -1.864 60.380 62.300 -0.094 0.000 1.016 328 V CB 0.622 32.399 31.823 -0.076 0.000 0.984 328 V HN 0.276 nan 8.190 nan 0.000 0.478 329 P HA 0.099 nan 4.420 nan 0.000 0.262 329 P C -0.515 176.852 177.300 0.112 0.000 1.182 329 P CA 0.610 63.650 63.100 -0.099 0.000 0.761 329 P CB 0.269 31.594 31.700 -0.625 0.000 0.795 330 M N 3.141 122.888 119.600 0.245 0.000 2.395 330 M HA 0.401 4.881 4.480 -0.000 0.000 0.307 330 M C -0.919 175.405 176.300 0.040 0.000 1.091 330 M CA -0.829 54.529 55.300 0.096 0.000 0.919 330 M CB 2.167 34.782 32.600 0.024 0.000 1.662 330 M HN 0.071 nan 8.290 nan 0.000 0.440 331 L N 3.270 124.424 121.223 -0.115 0.000 2.324 331 L HA 0.522 4.862 4.340 -0.000 0.000 0.274 331 L C -1.962 174.776 176.870 -0.219 0.000 1.012 331 L CA -0.006 54.725 54.840 -0.181 0.000 0.859 331 L CB 0.628 42.569 42.059 -0.197 0.000 1.224 331 L HN 0.616 nan 8.230 nan 0.000 0.429 332 W N 4.538 125.809 121.300 -0.048 0.000 2.338 332 W HA 0.544 5.204 4.660 -0.000 0.000 0.307 332 W C 0.457 176.888 176.519 -0.147 0.000 1.167 332 W CA -0.221 57.099 57.345 -0.042 0.000 1.208 332 W CB 0.973 30.454 29.460 0.035 0.000 1.228 332 W HN 0.385 nan 8.180 nan 0.000 0.499 333 E N 4.050 124.304 120.200 0.090 0.000 2.293 333 E HA 0.364 4.714 4.350 -0.000 0.000 0.270 333 E C -1.104 175.532 176.600 0.060 0.000 0.879 333 E CA -0.654 55.732 56.400 -0.024 0.000 0.756 333 E CB 2.146 31.744 29.700 -0.171 0.000 1.208 333 E HN 0.697 nan 8.360 nan 0.000 0.428 334 Q N 1.433 121.265 119.800 0.054 0.000 2.534 334 Q HA 0.681 5.021 4.340 -0.000 0.000 0.290 334 Q C -0.698 175.380 176.000 0.130 0.000 0.991 334 Q CA -1.219 54.649 55.803 0.109 0.000 0.783 334 Q CB 1.051 29.847 28.738 0.097 0.000 1.470 334 Q HN 0.453 nan 8.270 nan 0.000 0.406 335 G N 0.783 109.693 108.800 0.184 0.000 2.420 335 G HA2 0.384 4.344 3.960 -0.000 0.000 0.284 335 G HA3 0.384 4.344 3.960 -0.000 0.000 0.284 335 G C 0.296 175.143 174.900 -0.088 0.000 1.177 335 G CA -0.846 44.338 45.100 0.141 0.000 0.841 335 G HN 0.646 nan 8.290 nan 0.000 0.527 336 L N 0.510 121.536 121.223 -0.329 0.000 2.191 336 L HA 0.004 4.344 4.340 -0.000 0.000 0.212 336 L C 1.108 177.644 176.870 -0.556 0.000 1.103 336 L CA 0.753 55.261 54.840 -0.554 0.000 0.769 336 L CB 0.025 41.523 42.059 -0.934 0.000 0.908 336 L HN 0.558 nan 8.230 nan 0.000 0.438 337 W N 0.074 121.311 121.300 -0.105 0.000 2.159 337 W HA 0.208 4.867 4.660 -0.000 0.000 0.375 337 W C 0.036 176.503 176.519 -0.087 0.000 0.794 337 W CA -1.005 56.270 57.345 -0.117 0.000 2.716 337 W CB -0.077 29.301 29.460 -0.137 0.000 1.583 337 W HN -0.060 nan 8.180 nan 0.000 0.702 338 D N 2.395 122.869 120.400 0.123 0.000 2.363 338 D HA -0.053 4.587 4.640 -0.000 0.000 0.263 338 D C 1.536 177.890 176.300 0.090 0.000 1.258 338 D CA 0.617 54.713 54.000 0.160 0.000 0.907 338 D CB 1.134 42.050 40.800 0.193 0.000 1.107 338 D HN 0.157 nan 8.370 nan 0.000 0.495 339 Q N 2.840 122.648 119.800 0.015 0.000 2.403 339 Q HA -0.012 4.328 4.340 -0.000 0.000 0.203 339 Q C 0.236 176.255 176.000 0.030 0.000 0.932 339 Q CA 0.795 56.540 55.803 -0.096 0.000 0.945 339 Q CB 0.332 28.814 28.738 -0.426 0.000 1.045 339 Q HN 0.588 nan 8.270 nan 0.000 0.511 340 E N 0.101 120.292 120.200 -0.014 0.000 2.399 340 E HA 0.122 4.472 4.350 -0.000 0.000 0.206 340 E C -0.238 176.288 176.600 -0.124 0.000 0.812 340 E CA 0.121 56.437 56.400 -0.140 0.000 1.138 340 E CB 0.740 30.106 29.700 -0.556 0.000 1.140 340 E HN 0.240 nan 8.360 nan 0.000 0.536 341 D N 0.741 121.121 120.400 -0.033 0.000 2.613 341 D HA 0.112 4.752 4.640 -0.000 0.000 0.312 341 D C 0.255 176.665 176.300 0.184 0.000 1.202 341 D CA -0.007 54.048 54.000 0.091 0.000 0.825 341 D CB 1.151 42.043 40.800 0.154 0.000 1.113 341 D HN 0.025 nan 8.370 nan 0.000 0.502 342 M N 0.185 119.898 119.600 0.188 0.000 2.419 342 M HA 0.022 4.502 4.480 -0.000 0.000 0.264 342 M C 1.564 177.991 176.300 0.212 0.000 1.082 342 M CA 1.107 56.519 55.300 0.187 0.000 1.119 342 M CB 0.118 32.841 32.600 0.206 0.000 1.398 342 M HN 0.392 nan 8.290 nan 0.000 0.453 343 W N 0.262 121.562 121.300 0.000 0.000 2.441 343 W HA 0.057 4.717 4.660 0.000 0.000 0.302 343 W C 1.711 178.322 176.519 0.154 0.000 1.191 343 W CA 1.560 58.920 57.345 0.025 0.000 1.327 343 W CB -0.966 28.355 29.460 -0.232 0.000 1.128 343 W HN 0.306 nan 8.180 nan 0.000 0.522 344 G N 1.602 110.614 108.800 0.354 0.000 2.875 344 G HA2 -0.437 3.523 3.960 -0.000 0.000 0.220 344 G HA3 -0.437 3.523 3.960 -0.000 0.000 0.220 344 G C 1.667 176.682 174.900 0.191 0.000 1.293 344 G CA 2.792 48.068 45.100 0.293 0.000 0.789 344 G HN 0.408 nan 8.290 nan 0.000 0.677 345 A N 0.172 123.123 122.820 0.219 0.000 1.892 345 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 345 A C 2.521 180.105 177.584 0.001 0.000 1.188 345 A CA 1.966 54.132 52.037 0.216 0.000 0.631 345 A CB -0.490 18.677 19.000 0.277 0.000 0.822 345 A HN 0.586 nan 8.150 nan 0.000 0.447 346 I N -1.764 118.802 120.570 -0.007 0.000 2.315 346 I HA -0.233 3.937 4.170 -0.000 0.000 0.248 346 I C 2.293 178.333 176.117 -0.129 0.000 1.117 346 I CA 1.723 62.995 61.300 -0.046 0.000 1.404 346 I CB -0.124 37.816 38.000 -0.101 0.000 1.071 346 I HN 0.478 nan 8.210 nan 0.000 0.419 347 H N 0.265 119.182 119.070 -0.256 0.000 2.428 347 H HA 0.039 4.595 4.556 -0.000 0.000 0.296 347 H C 2.200 177.396 175.328 -0.221 0.000 1.062 347 H CA 1.357 57.217 56.048 -0.313 0.000 1.350 347 H CB -0.112 29.291 29.762 -0.599 0.000 1.403 347 H HN 0.424 nan 8.280 nan 0.000 0.533 348 A N 0.165 122.872 122.820 -0.189 0.000 1.898 348 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 348 A C 2.109 179.300 177.584 -0.656 0.000 1.181 348 A CA 1.317 53.090 52.037 -0.441 0.000 0.620 348 A CB -1.033 17.503 19.000 -0.774 0.000 0.819 348 A HN 0.679 nan 8.150 nan 0.000 0.442 349 W N 0.616 121.350 121.300 -0.944 0.000 2.381 349 W HA -0.175 4.484 4.660 -0.000 0.000 0.301 349 W C 2.145 178.472 176.519 -0.320 0.000 1.205 349 W CA 1.964 58.859 57.345 -0.751 0.000 1.285 349 W CB -0.192 28.939 29.460 -0.549 0.000 1.133 349 W HN 0.378 nan 8.180 nan 0.000 0.521 350 Q N 0.991 120.603 119.800 -0.314 0.000 2.119 350 Q HA -0.097 4.243 4.340 -0.000 0.000 0.201 350 Q C 2.223 177.993 176.000 -0.383 0.000 0.972 350 Q CA 2.580 58.088 55.803 -0.492 0.000 0.847 350 Q CB -0.842 27.760 28.738 -0.227 0.000 0.903 350 Q HN 0.295 nan 8.270 nan 0.000 0.433 351 A N 0.062 122.733 122.820 -0.249 0.000 1.902 351 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 351 A C 2.092 179.576 177.584 -0.167 0.000 1.181 351 A CA 1.408 53.355 52.037 -0.150 0.000 0.623 351 A CB -0.747 18.213 19.000 -0.066 0.000 0.818 351 A HN 0.450 nan 8.150 nan 0.000 0.443 352 L N -0.733 120.360 121.223 -0.216 0.000 2.093 352 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 352 L C 2.643 179.395 176.870 -0.197 0.000 1.085 352 L CA 1.802 56.554 54.840 -0.147 0.000 0.755 352 L CB -0.375 41.639 42.059 -0.076 0.000 0.904 352 L HN 0.463 nan 8.230 nan 0.000 0.435 353 K N 0.099 120.269 120.400 -0.384 0.000 2.057 353 K HA -0.186 4.133 4.320 -0.000 0.000 0.206 353 K C 1.523 177.982 176.600 -0.236 0.000 1.050 353 K CA 1.627 57.684 56.287 -0.382 0.000 0.935 353 K CB 0.054 32.123 32.500 -0.719 0.000 0.715 353 K HN 0.224 nan 8.250 nan 0.000 0.439 354 D N 0.236 120.501 120.400 -0.225 0.000 2.219 354 D HA -0.083 4.557 4.640 -0.000 0.000 0.205 354 D C 1.310 177.561 176.300 -0.082 0.000 0.970 354 D CA 0.960 54.878 54.000 -0.136 0.000 0.851 354 D CB 0.079 40.808 40.800 -0.118 0.000 0.943 354 D HN 0.320 nan 8.370 nan 0.000 0.488 355 A N 0.226 123.001 122.820 -0.075 0.000 2.251 355 A HA -0.025 4.294 4.320 -0.000 0.000 0.209 355 A C 0.464 178.032 177.584 -0.026 0.000 1.187 355 A CA 0.134 52.150 52.037 -0.036 0.000 0.823 355 A CB 0.016 19.004 19.000 -0.020 0.000 0.846 355 A HN 0.050 nan 8.150 nan 0.000 0.486 356 D N -0.388 119.987 120.400 -0.041 0.000 2.746 356 D HA -0.142 4.498 4.640 -0.000 0.000 0.241 356 D C -0.026 176.274 176.300 0.000 0.000 1.140 356 D CA 0.844 54.831 54.000 -0.022 0.000 0.707 356 D CB -1.355 39.440 40.800 -0.009 0.000 1.034 356 D HN 0.368 nan 8.370 nan 0.000 0.423 357 V N 1.939 121.853 119.914 0.000 0.000 2.694 357 V HA -0.061 4.059 4.120 -0.000 0.000 0.306 357 V C 0.818 176.942 176.094 0.050 0.000 1.054 357 V CA 0.466 62.786 62.300 0.034 0.000 1.161 357 V CB 0.884 32.739 31.823 0.054 0.000 0.916 357 V HN 0.105 nan 8.190 nan 0.000 0.490 358 K N 6.349 126.782 120.400 0.055 0.000 2.765 358 K HA 0.638 4.958 4.320 -0.000 0.000 0.246 358 K C -0.228 176.413 176.600 0.070 0.000 1.254 358 K CA 0.400 56.722 56.287 0.059 0.000 1.219 358 K CB 0.282 32.810 32.500 0.048 0.000 1.747 358 K HN 0.860 nan 8.250 nan 0.000 0.372 359 A N 1.253 124.127 122.820 0.091 0.000 2.569 359 A HA 0.462 4.782 4.320 -0.000 0.000 0.292 359 A C -2.980 174.697 177.584 0.155 0.000 1.032 359 A CA -1.222 50.876 52.037 0.102 0.000 0.669 359 A CB 0.769 19.810 19.000 0.068 0.000 1.290 359 A HN 0.085 nan 8.150 nan 0.000 0.422 360 P HA 0.253 nan 4.420 nan 0.000 0.262 360 P C -0.741 176.734 177.300 0.292 0.000 1.182 360 P CA 0.634 63.903 63.100 0.281 0.000 0.761 360 P CB 0.230 32.184 31.700 0.424 0.000 0.795 361 N N 1.543 120.429 118.700 0.310 0.000 2.607 361 N HA 0.245 4.985 4.740 -0.000 0.000 0.271 361 N C -1.579 174.260 175.510 0.547 0.000 1.142 361 N CA -0.300 53.007 53.050 0.427 0.000 0.810 361 N CB 0.759 39.450 38.487 0.339 0.000 1.306 361 N HN 0.062 nan 8.380 nan 0.000 0.536 362 T N 2.410 117.199 114.554 0.392 0.000 2.829 362 T HA 0.469 4.819 4.350 -0.000 0.000 0.280 362 T C -0.819 173.855 174.700 -0.043 0.000 0.999 362 T CA -0.446 61.766 62.100 0.186 0.000 0.983 362 T CB 1.255 70.101 68.868 -0.037 0.000 0.968 362 T HN 0.358 nan 8.240 nan 0.000 0.446 363 L N 4.245 125.160 121.223 -0.515 0.000 2.309 363 L HA 0.767 5.107 4.340 -0.000 0.000 0.282 363 L C -1.157 175.406 176.870 -0.512 0.000 1.036 363 L CA -0.348 54.037 54.840 -0.759 0.000 0.806 363 L CB 1.135 42.224 42.059 -1.618 0.000 1.220 363 L HN 0.439 nan 8.230 nan 0.000 0.429 364 V N 6.201 125.893 119.914 -0.370 0.000 2.531 364 V HA 0.564 4.684 4.120 -0.000 0.000 0.301 364 V C -0.285 175.629 176.094 -0.299 0.000 1.034 364 V CA -0.499 61.599 62.300 -0.337 0.000 0.865 364 V CB 1.687 33.302 31.823 -0.348 0.000 0.995 364 V HN 0.784 nan 8.190 nan 0.000 0.424 365 M N 3.797 123.200 119.600 -0.328 0.000 2.165 365 M HA 0.608 5.088 4.480 -0.000 0.000 0.283 365 M C 0.180 176.107 176.300 -0.622 0.000 0.978 365 M CA -0.183 54.879 55.300 -0.397 0.000 0.948 365 M CB 2.188 34.539 32.600 -0.414 0.000 1.599 365 M HN 0.796 nan 8.290 nan 0.000 0.450 366 G N 2.230 110.297 108.800 -1.222 0.000 2.601 366 G HA2 0.763 4.723 3.960 -0.000 0.000 0.317 366 G HA3 0.763 4.723 3.960 -0.000 0.000 0.317 366 G C -2.793 171.086 174.900 -1.702 0.000 1.246 366 G CA -1.313 42.530 45.100 -2.096 0.000 1.012 366 G HN 0.415 nan 8.290 nan 0.000 0.494 367 P HA 0.203 nan 4.420 nan 0.000 0.214 367 P C -0.987 175.948 177.300 -0.608 0.000 1.826 367 P CA -0.179 62.225 63.100 -1.159 0.000 0.977 367 P CB -0.075 30.449 31.700 -1.961 0.000 1.930 368 W N 1.896 123.141 121.300 -0.091 0.000 2.850 368 W HA 0.441 5.101 4.660 -0.000 0.000 0.349 368 W C 0.692 177.286 176.519 0.124 0.000 1.133 368 W CA -0.770 56.594 57.345 0.032 0.000 1.117 368 W CB 0.681 30.132 29.460 -0.016 0.000 1.442 368 W HN 0.026 nan 8.180 nan 0.000 0.575 369 R N -0.254 120.467 120.500 0.368 0.000 2.527 369 R HA 0.352 4.692 4.340 -0.000 0.000 0.243 369 R C -0.213 176.241 176.300 0.257 0.000 1.206 369 R CA -0.753 55.492 56.100 0.243 0.000 1.134 369 R CB -0.480 29.901 30.300 0.135 0.000 1.347 369 R HN 0.357 nan 8.270 nan 0.000 0.580 370 H N 0.080 119.226 119.070 0.128 0.000 3.107 370 H HA 0.052 4.608 4.556 -0.000 0.000 0.301 370 H C -0.283 175.147 175.328 0.170 0.000 0.981 370 H CA 1.553 57.688 56.048 0.146 0.000 1.443 370 H CB 0.015 29.862 29.762 0.142 0.000 1.479 370 H HN 0.698 nan 8.280 nan 0.000 0.564 371 S N 1.885 117.413 115.700 -0.287 0.000 3.261 371 S HA -0.228 4.242 4.470 -0.000 0.000 0.287 371 S C 1.804 176.413 174.600 0.015 0.000 1.281 371 S CA 0.868 58.961 58.200 -0.179 0.000 1.053 371 S CB -1.643 61.472 63.200 -0.142 0.000 1.251 371 S HN 1.017 nan 8.310 nan 0.000 0.659 372 G N 0.378 109.200 108.800 0.037 0.000 2.471 372 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.219 372 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.219 372 G C 1.188 175.841 174.900 -0.412 0.000 1.125 372 G CA 0.881 45.999 45.100 0.030 0.000 0.775 372 G HN 0.675 nan 8.290 nan 0.000 0.548 373 V N 1.056 120.528 119.914 -0.737 0.000 2.867 373 V HA -0.087 4.033 4.120 -0.000 0.000 0.260 373 V C 1.645 177.424 176.094 -0.526 0.000 1.099 373 V CA 1.689 63.327 62.300 -1.103 0.000 1.122 373 V CB -0.308 30.941 31.823 -0.956 0.000 0.708 373 V HN 0.328 nan 8.190 nan 0.000 0.490 374 N N -1.464 116.978 118.700 -0.429 0.000 2.270 374 N HA 0.151 4.891 4.740 -0.000 0.000 0.198 374 N C -0.047 174.969 175.510 -0.823 0.000 1.117 374 N CA 0.266 52.981 53.050 -0.559 0.000 0.845 374 N CB 0.324 38.435 38.487 -0.627 0.000 0.980 374 N HN 0.618 nan 8.380 nan 0.000 0.486 375 Y N -0.465 119.775 120.300 -0.099 0.000 3.338 375 Y HA 0.317 4.867 4.550 -0.000 0.000 0.293 375 Y C 0.606 176.488 175.900 -0.031 0.000 1.809 375 Y CA -1.142 56.931 58.100 -0.045 0.000 0.882 375 Y CB 0.184 38.628 38.460 -0.028 0.000 1.367 375 Y HN -0.234 nan 8.280 nan 0.000 0.672 376 N N 0.466 119.287 118.700 0.201 0.000 2.419 376 N HA 0.219 4.959 4.740 -0.000 0.000 0.277 376 N C -0.246 175.373 175.510 0.182 0.000 1.006 376 N CA 0.059 53.197 53.050 0.147 0.000 0.923 376 N CB 1.580 40.137 38.487 0.117 0.000 1.140 376 N HN 0.857 nan 8.380 nan 0.000 0.488 377 G N 1.657 110.596 108.800 0.232 0.000 3.820 377 G HA2 0.051 4.011 3.960 -0.000 0.000 0.293 377 G HA3 0.051 4.011 3.960 -0.000 0.000 0.293 377 G C 0.677 175.813 174.900 0.394 0.000 1.152 377 G CA -0.262 45.068 45.100 0.384 0.000 0.921 377 G HN 0.543 nan 8.290 nan 0.000 0.544 378 S N -0.072 115.797 115.700 0.282 0.000 2.470 378 S HA 0.088 4.558 4.470 -0.000 0.000 0.225 378 S C 1.390 176.084 174.600 0.157 0.000 1.006 378 S CA 0.975 59.309 58.200 0.224 0.000 0.934 378 S CB 0.193 63.466 63.200 0.122 0.000 0.778 378 S HN 0.721 nan 8.310 nan 0.000 0.517 379 T N -0.999 113.647 114.554 0.153 0.000 2.787 379 T HA 0.706 5.056 4.350 -0.000 0.000 0.297 379 T C -1.784 172.974 174.700 0.097 0.000 1.221 379 T CA -0.826 61.221 62.100 -0.089 0.000 1.006 379 T CB 1.776 70.578 68.868 -0.109 0.000 1.328 379 T HN -0.029 nan 8.240 nan 0.000 0.509 380 L N 0.895 122.071 121.223 -0.079 0.000 2.737 380 L HA 0.614 4.954 4.340 -0.000 0.000 0.261 380 L C 0.542 177.312 176.870 -0.167 0.000 0.949 380 L CA 1.502 56.341 54.840 -0.002 0.000 0.952 380 L CB 0.916 43.078 42.059 0.171 0.000 1.337 380 L HN 1.690 nan 8.230 nan 0.000 0.430 381 G N 5.607 114.334 108.800 -0.122 0.000 2.583 381 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.292 381 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.292 381 G C -1.748 173.056 174.900 -0.161 0.000 1.203 381 G CA 0.221 45.242 45.100 -0.130 0.000 0.987 381 G HN 0.630 nan 8.290 nan 0.000 0.554 382 P HA 0.259 nan 4.420 nan 0.000 0.249 382 P C 0.798 177.905 177.300 -0.323 0.000 1.229 382 P CA 0.256 63.222 63.100 -0.222 0.000 0.788 382 P CB 0.029 31.600 31.700 -0.215 0.000 1.072 383 L N 0.513 121.491 121.223 -0.408 0.000 2.395 383 L HA 0.268 4.608 4.340 -0.000 0.000 0.269 383 L C 0.571 177.002 176.870 -0.731 0.000 1.133 383 L CA -0.102 54.403 54.840 -0.558 0.000 0.812 383 L CB 0.438 42.124 42.059 -0.622 0.000 1.125 383 L HN -0.124 nan 8.230 nan 0.000 0.452 384 E N 2.057 121.837 120.200 -0.700 0.000 2.218 384 E HA 0.454 4.804 4.350 -0.000 0.000 0.263 384 E C -1.304 174.971 176.600 -0.542 0.000 0.879 384 E CA -0.498 55.555 56.400 -0.578 0.000 0.762 384 E CB 1.818 31.361 29.700 -0.261 0.000 1.166 384 E HN 0.205 nan 8.360 nan 0.000 0.415 385 F N 0.567 120.513 119.950 -0.006 0.000 2.461 385 F HA 0.267 4.794 4.527 -0.000 0.000 0.337 385 F C 1.149 176.982 175.800 0.055 0.000 1.079 385 F CA -1.029 56.977 58.000 0.012 0.000 1.032 385 F CB 0.611 39.518 39.000 -0.154 0.000 1.327 385 F HN 0.221 nan 8.300 nan 0.000 0.491 386 E N 1.683 122.081 120.200 0.331 0.000 1.852 386 E HA 0.384 4.734 4.350 -0.000 0.000 0.276 386 E C 0.520 177.255 176.600 0.225 0.000 1.163 386 E CA 0.169 56.711 56.400 0.237 0.000 1.117 386 E CB -0.222 29.620 29.700 0.237 0.000 1.124 386 E HN 0.775 nan 8.360 nan 0.000 0.458 387 G N 2.761 111.672 108.800 0.186 0.000 2.728 387 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.294 387 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.294 387 G C -0.411 174.620 174.900 0.217 0.000 1.342 387 G CA -0.619 44.590 45.100 0.183 0.000 0.866 387 G HN 0.454 nan 8.290 nan 0.000 0.534 388 D N 0.940 121.469 120.400 0.216 0.000 2.441 388 D HA 0.323 4.963 4.640 -0.000 0.000 0.243 388 D C 2.204 178.706 176.300 0.336 0.000 1.257 388 D CA 0.861 55.010 54.000 0.248 0.000 1.027 388 D CB -0.122 40.801 40.800 0.204 0.000 1.084 388 D HN 0.762 nan 8.370 nan 0.000 0.514 389 T N 0.460 115.238 114.554 0.373 0.000 2.849 389 T HA -0.165 4.185 4.350 -0.000 0.000 0.270 389 T C 1.795 176.941 174.700 0.742 0.000 1.066 389 T CA 1.002 63.426 62.100 0.540 0.000 1.130 389 T CB -0.039 68.949 68.868 0.200 0.000 0.864 389 T HN 0.253 nan 8.240 nan 0.000 0.481 390 A N 1.245 124.396 122.820 0.552 0.000 1.897 390 A HA -0.016 4.304 4.320 -0.000 0.000 0.215 390 A C 2.209 179.925 177.584 0.221 0.000 1.181 390 A CA 1.715 53.882 52.037 0.215 0.000 0.620 390 A CB -1.145 17.745 19.000 -0.184 0.000 0.821 390 A HN 0.688 nan 8.150 nan 0.000 0.443 391 H N -0.137 119.008 119.070 0.124 0.000 2.387 391 H HA -0.095 4.461 4.556 -0.000 0.000 0.299 391 H C 2.114 177.480 175.328 0.063 0.000 1.090 391 H CA 2.146 58.227 56.048 0.055 0.000 1.332 391 H CB -0.172 29.615 29.762 0.042 0.000 1.386 391 H HN 0.587 nan 8.280 nan 0.000 0.516 392 Q N -0.950 118.925 119.800 0.125 0.000 2.030 392 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 392 Q C 2.062 178.013 176.000 -0.082 0.000 0.986 392 Q CA 2.005 57.834 55.803 0.045 0.000 0.843 392 Q CB -0.445 28.448 28.738 0.259 0.000 0.904 392 Q HN 0.662 nan 8.270 nan 0.000 0.420 393 Y N 1.234 121.475 120.300 -0.098 0.000 2.097 393 Y HA -0.258 4.292 4.550 -0.000 0.000 0.282 393 Y C 2.207 178.027 175.900 -0.134 0.000 1.152 393 Y CA 1.587 59.572 58.100 -0.192 0.000 1.136 393 Y CB 0.006 38.466 38.460 0.000 0.000 0.975 393 Y HN -0.067 nan 8.280 nan 0.000 0.498 394 R N -0.043 120.258 120.500 -0.332 0.000 2.103 394 R HA -0.216 4.124 4.340 -0.000 0.000 0.242 394 R C 2.538 178.523 176.300 -0.526 0.000 1.142 394 R CA 1.939 57.780 56.100 -0.432 0.000 0.960 394 R CB -0.407 29.752 30.300 -0.235 0.000 0.858 394 R HN 0.404 nan 8.270 nan 0.000 0.439 395 R N 0.443 120.638 120.500 -0.508 0.000 2.080 395 R HA -0.077 4.263 4.340 -0.000 0.000 0.222 395 R C 0.850 176.959 176.300 -0.319 0.000 1.107 395 R CA 1.482 57.304 56.100 -0.462 0.000 0.980 395 R CB 0.223 30.198 30.300 -0.542 0.000 0.879 395 R HN 0.105 nan 8.270 nan 0.000 0.439 396 D N -0.675 119.560 120.400 -0.276 0.000 2.346 396 D HA 0.020 4.660 4.640 -0.000 0.000 0.206 396 D C 1.334 177.546 176.300 -0.146 0.000 1.001 396 D CA 0.532 54.424 54.000 -0.180 0.000 0.871 396 D CB 0.951 41.665 40.800 -0.144 0.000 0.943 396 D HN 0.118 nan 8.370 nan 0.000 0.518 397 V N -0.268 119.508 119.914 -0.230 0.000 3.102 397 V HA 0.020 4.140 4.120 -0.000 0.000 0.225 397 V C 1.632 177.660 176.094 -0.110 0.000 1.301 397 V CA -0.176 62.033 62.300 -0.151 0.000 1.308 397 V CB -0.005 31.725 31.823 -0.156 0.000 1.129 397 V HN -0.040 nan 8.190 nan 0.000 0.502 398 F N 2.523 122.082 119.950 -0.652 0.000 2.051 398 F HA -0.124 4.403 4.527 -0.000 0.000 0.296 398 F C 2.566 178.231 175.800 -0.224 0.000 1.122 398 F CA 2.524 60.214 58.000 -0.516 0.000 1.201 398 F CB -0.561 37.922 39.000 -0.861 0.000 0.978 398 F HN 0.105 nan 8.300 nan 0.000 0.472 399 R N 0.851 121.162 120.500 -0.315 0.000 2.082 399 R HA -0.129 4.211 4.340 -0.000 0.000 0.234 399 R C -0.810 175.480 176.300 -0.015 0.000 1.136 399 R CA 2.202 58.053 56.100 -0.415 0.000 0.935 399 R CB -1.946 27.989 30.300 -0.607 0.000 0.842 399 R HN 0.180 nan 8.270 nan 0.000 0.430 400 P HA -0.114 nan 4.420 nan 0.000 0.216 400 P C 1.088 178.494 177.300 0.177 0.000 1.150 400 P CA 1.209 64.349 63.100 0.066 0.000 0.837 400 P CB -0.241 31.477 31.700 0.030 0.000 0.786 401 F N -1.181 118.862 119.950 0.154 0.000 2.134 401 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 401 F C 1.967 178.031 175.800 0.440 0.000 1.097 401 F CA 1.322 59.484 58.000 0.269 0.000 1.264 401 F CB -0.492 38.704 39.000 0.325 0.000 1.001 401 F HN -0.242 nan 8.300 nan 0.000 0.479 402 F N 1.160 121.272 119.950 0.270 0.000 2.186 402 F HA -0.161 4.366 4.527 -0.000 0.000 0.299 402 F C 2.224 178.129 175.800 0.175 0.000 1.090 402 F CA 1.501 59.647 58.000 0.243 0.000 1.307 402 F CB -0.995 38.248 39.000 0.404 0.000 1.019 402 F HN -0.027 nan 8.300 nan 0.000 0.489 403 D N -0.229 120.357 120.400 0.310 0.000 2.178 403 D HA -0.185 4.455 4.640 -0.000 0.000 0.201 403 D C 2.193 178.465 176.300 -0.047 0.000 0.980 403 D CA 1.028 55.120 54.000 0.152 0.000 0.842 403 D CB -0.334 40.532 40.800 0.111 0.000 0.948 403 D HN 0.412 nan 8.370 nan 0.000 0.472 404 E N -0.606 119.483 120.200 -0.186 0.000 2.077 404 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 404 E C 1.138 177.402 176.600 -0.560 0.000 0.989 404 E CA 0.970 57.099 56.400 -0.453 0.000 0.800 404 E CB -0.020 29.238 29.700 -0.737 0.000 0.746 404 E HN 0.415 nan 8.360 nan 0.000 0.452 405 Y N -0.724 119.447 120.300 -0.215 0.000 2.462 405 Y HA 0.197 4.747 4.550 -0.000 0.000 0.261 405 Y C 1.635 177.424 175.900 -0.185 0.000 1.146 405 Y CA -0.047 57.920 58.100 -0.222 0.000 1.283 405 Y CB 0.586 38.851 38.460 -0.324 0.000 1.090 405 Y HN 0.017 nan 8.280 nan 0.000 0.526 406 L N -0.776 120.426 121.223 -0.035 0.000 2.642 406 L HA 0.184 4.524 4.340 -0.000 0.000 0.233 406 L C 0.218 177.021 176.870 -0.111 0.000 1.077 406 L CA 0.450 55.250 54.840 -0.067 0.000 0.879 406 L CB 0.391 42.437 42.059 -0.021 0.000 1.151 406 L HN -0.159 nan 8.230 nan 0.000 0.495 407 K N 1.285 121.628 120.400 -0.096 0.000 2.540 407 K HA 0.318 4.638 4.320 -0.000 0.000 0.218 407 K C -2.472 174.071 176.600 -0.095 0.000 1.017 407 K CA -1.831 54.392 56.287 -0.107 0.000 1.029 407 K CB 1.284 33.731 32.500 -0.089 0.000 1.348 407 K HN -0.218 nan 8.250 nan 0.000 0.508 408 P HA -0.113 nan 4.420 nan 0.000 0.261 408 P C 0.784 178.041 177.300 -0.073 0.000 1.173 408 P CA 1.194 64.245 63.100 -0.082 0.000 0.760 408 P CB 0.609 32.267 31.700 -0.070 0.000 0.783 409 G N 1.534 110.290 108.800 -0.073 0.000 2.194 409 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.236 409 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.236 409 G C 0.408 175.270 174.900 -0.063 0.000 0.987 409 G CA -0.101 44.963 45.100 -0.060 0.000 0.635 409 G HN 0.576 nan 8.290 nan 0.000 0.520 410 S N 0.816 116.468 115.700 -0.080 0.000 2.592 410 S HA 0.647 5.117 4.470 -0.000 0.000 0.271 410 S C 0.924 175.470 174.600 -0.090 0.000 1.326 410 S CA 0.208 58.361 58.200 -0.077 0.000 1.024 410 S CB 1.379 64.530 63.200 -0.082 0.000 0.921 410 S HN 1.584 nan 8.310 nan 0.000 0.527 411 A N 2.605 125.384 122.820 -0.069 0.000 2.498 411 A HA 0.365 4.685 4.320 -0.000 0.000 0.239 411 A C 0.554 178.077 177.584 -0.102 0.000 1.068 411 A CA -0.159 51.840 52.037 -0.063 0.000 0.766 411 A CB 0.009 18.988 19.000 -0.036 0.000 1.003 411 A HN 0.662 nan 8.150 nan 0.000 0.497 412 S N -0.337 115.299 115.700 -0.106 0.000 2.586 412 S HA 0.490 4.960 4.470 -0.000 0.000 0.274 412 S C 0.101 174.588 174.600 -0.188 0.000 1.281 412 S CA -0.169 57.913 58.200 -0.196 0.000 1.035 412 S CB 1.065 64.140 63.200 -0.209 0.000 0.962 412 S HN 1.347 nan 8.310 nan 0.000 0.512 413 V N 1.356 121.127 119.914 -0.237 0.000 2.628 413 V HA 0.595 4.715 4.120 -0.000 0.000 0.306 413 V C -0.878 175.079 176.094 -0.228 0.000 1.045 413 V CA -0.666 61.573 62.300 -0.101 0.000 0.905 413 V CB 1.571 33.446 31.823 0.085 0.000 0.997 413 V HN 0.909 nan 8.190 nan 0.000 0.436 414 H N 5.170 124.322 119.070 0.136 0.000 2.645 414 H HA 0.474 5.030 4.556 -0.000 0.000 0.257 414 H C -0.538 174.886 175.328 0.160 0.000 1.269 414 H CA -0.317 55.820 56.048 0.147 0.000 1.409 414 H CB 1.308 31.132 29.762 0.103 0.000 1.434 414 H HN 0.590 nan 8.280 nan 0.000 0.505 415 L N 4.159 125.532 121.223 0.250 0.000 2.417 415 L HA 0.222 4.562 4.340 -0.000 0.000 0.268 415 L C -1.371 175.624 176.870 0.208 0.000 1.158 415 L CA -1.542 53.420 54.840 0.203 0.000 0.819 415 L CB 0.485 42.604 42.059 0.100 0.000 1.112 415 L HN 0.325 nan 8.230 nan 0.000 0.458 416 P HA 0.155 nan 4.420 nan 0.000 0.297 416 P C -0.199 177.222 177.300 0.201 0.000 1.303 416 P CA -0.426 62.796 63.100 0.203 0.000 0.753 416 P CB 0.892 32.720 31.700 0.212 0.000 1.281 417 D N -0.978 119.580 120.400 0.263 0.000 2.117 417 D HA 0.072 4.712 4.640 -0.000 0.000 0.197 417 D C 0.533 176.977 176.300 0.240 0.000 0.987 417 D CA 1.485 55.716 54.000 0.385 0.000 0.829 417 D CB -0.249 40.854 40.800 0.505 0.000 0.961 417 D HN 0.517 nan 8.370 nan 0.000 0.460 418 A N -0.549 122.308 122.820 0.063 0.000 2.520 418 A HA 0.646 4.966 4.320 -0.000 0.000 0.298 418 A C -1.306 176.088 177.584 -0.317 0.000 1.051 418 A CA -0.595 51.276 52.037 -0.278 0.000 0.690 418 A CB 1.290 19.935 19.000 -0.591 0.000 1.281 418 A HN 0.034 nan 8.150 nan 0.000 0.402 419 I N 2.850 123.156 120.570 -0.439 0.000 2.437 419 I HA 0.399 4.569 4.170 -0.000 0.000 0.279 419 I C -1.074 174.861 176.117 -0.302 0.000 1.028 419 I CA -0.030 60.962 61.300 -0.514 0.000 1.142 419 I CB 0.978 38.582 38.000 -0.659 0.000 1.266 419 I HN 0.463 nan 8.210 nan 0.000 0.461 420 I N 5.589 125.995 120.570 -0.273 0.000 2.466 420 I HA 0.279 4.449 4.170 -0.000 0.000 0.289 420 I C -0.684 175.269 176.117 -0.274 0.000 1.026 420 I CA -0.966 60.172 61.300 -0.270 0.000 1.078 420 I CB 2.059 39.807 38.000 -0.419 0.000 1.249 420 I HN 0.393 nan 8.210 nan 0.000 0.429 421 Y N 6.296 126.168 120.300 -0.714 0.000 2.425 421 Y HA 0.133 4.683 4.550 -0.000 0.000 0.331 421 Y C 0.426 175.954 175.900 -0.621 0.000 1.157 421 Y CA 0.192 57.664 58.100 -1.047 0.000 1.372 421 Y CB 0.582 38.059 38.460 -1.638 0.000 1.253 421 Y HN 0.513 nan 8.280 nan 0.000 0.536 422 N N 3.699 121.806 118.700 -0.988 0.000 2.420 422 N HA 0.015 4.755 4.740 -0.000 0.000 0.249 422 N C 0.538 175.730 175.510 -0.531 0.000 1.033 422 N CA 0.357 53.057 53.050 -0.583 0.000 0.944 422 N CB 1.173 39.398 38.487 -0.437 0.000 1.113 422 N HN 0.887 nan 8.380 nan 0.000 0.502 423 T N -0.156 114.296 114.554 -0.170 0.000 3.163 423 T HA 0.054 4.404 4.350 -0.000 0.000 0.260 423 T C 1.373 176.116 174.700 0.071 0.000 1.156 423 T CA 0.743 62.922 62.100 0.132 0.000 1.072 423 T CB 0.144 69.168 68.868 0.262 0.000 0.937 423 T HN 0.429 nan 8.240 nan 0.000 0.528 424 G N 0.961 109.600 108.800 -0.268 0.000 2.789 424 G HA2 0.088 4.048 3.960 -0.000 0.000 0.207 424 G HA3 0.088 4.048 3.960 -0.000 0.000 0.207 424 G C 1.120 175.854 174.900 -0.275 0.000 1.153 424 G CA 0.087 44.905 45.100 -0.470 0.000 0.847 424 G HN 0.379 nan 8.290 nan 0.000 0.615 425 D N 0.553 120.790 120.400 -0.272 0.000 2.269 425 D HA 0.054 4.694 4.640 -0.000 0.000 0.208 425 D C 0.535 176.709 176.300 -0.209 0.000 0.963 425 D CA 0.431 54.302 54.000 -0.214 0.000 0.864 425 D CB 0.110 40.785 40.800 -0.208 0.000 0.936 425 D HN 0.126 nan 8.370 nan 0.000 0.505 426 Q N -0.533 119.087 119.800 -0.299 0.000 2.459 426 Q HA -0.203 4.137 4.340 -0.000 0.000 0.314 426 Q C -0.506 175.259 176.000 -0.391 0.000 1.432 426 Q CA 0.791 56.432 55.803 -0.270 0.000 0.823 426 Q CB -2.024 26.725 28.738 0.019 0.000 1.124 426 Q HN 0.585 nan 8.270 nan 0.000 0.392 427 K N -2.592 117.320 120.400 -0.813 0.000 2.607 427 K HA 0.605 4.925 4.320 -0.000 0.000 0.287 427 K C -1.292 174.882 176.600 -0.709 0.000 0.996 427 K CA -1.024 54.950 56.287 -0.520 0.000 0.876 427 K CB 0.714 33.090 32.500 -0.206 0.000 1.496 427 K HN -0.023 nan 8.250 nan 0.000 0.415 428 W N 1.779 122.960 121.300 -0.197 0.000 2.311 428 W HA 0.264 4.924 4.660 -0.000 0.000 0.310 428 W C -0.511 175.910 176.519 -0.163 0.000 1.274 428 W CA 0.297 57.556 57.345 -0.144 0.000 1.215 428 W CB 0.907 30.393 29.460 0.044 0.000 1.227 428 W HN 0.378 nan 8.180 nan 0.000 0.523 429 D N 2.480 122.824 120.400 -0.094 0.000 2.217 429 D HA 0.189 4.829 4.640 -0.000 0.000 0.243 429 D C -1.206 174.822 176.300 -0.452 0.000 1.054 429 D CA -0.555 53.242 54.000 -0.338 0.000 0.838 429 D CB 1.058 41.448 40.800 -0.684 0.000 1.162 429 D HN 0.250 nan 8.370 nan 0.000 0.472 430 Y N 1.564 121.595 120.300 -0.447 0.000 2.369 430 Y HA 0.256 4.806 4.550 -0.000 0.000 0.337 430 Y C -0.355 175.356 175.900 -0.314 0.000 0.961 430 Y CA -0.806 57.119 58.100 -0.291 0.000 1.186 430 Y CB 0.798 39.185 38.460 -0.122 0.000 1.139 430 Y HN 0.276 nan 8.280 nan 0.000 0.494 431 Y N 3.536 123.878 120.300 0.070 0.000 2.417 431 Y HA 0.269 4.819 4.550 -0.000 0.000 0.336 431 Y C 1.449 177.449 175.900 0.167 0.000 0.961 431 Y CA -0.775 57.401 58.100 0.126 0.000 1.215 431 Y CB 1.077 39.622 38.460 0.143 0.000 1.120 431 Y HN 0.635 nan 8.280 nan 0.000 0.499 432 R N 1.291 121.981 120.500 0.316 0.000 2.096 432 R HA -0.106 4.234 4.340 -0.000 0.000 0.240 432 R C -0.158 176.301 176.300 0.265 0.000 1.139 432 R CA 1.415 57.663 56.100 0.247 0.000 0.952 432 R CB 0.079 30.493 30.300 0.191 0.000 0.854 432 R HN 0.486 nan 8.270 nan 0.000 0.436 433 S N -1.271 114.596 115.700 0.277 0.000 2.502 433 S HA 0.415 4.885 4.470 -0.000 0.000 0.304 433 S C -1.757 173.047 174.600 0.340 0.000 1.097 433 S CA -0.602 57.751 58.200 0.256 0.000 1.045 433 S CB 1.873 65.163 63.200 0.150 0.000 1.019 433 S HN 0.386 nan 8.310 nan 0.000 0.481 434 W N 4.466 125.853 121.300 0.145 0.000 3.573 434 W HA 0.503 5.163 4.660 -0.000 0.000 0.306 434 W C -3.043 173.582 176.519 0.176 0.000 1.227 434 W CA -1.473 55.921 57.345 0.083 0.000 1.212 434 W CB 1.059 30.568 29.460 0.082 0.000 1.331 434 W HN 0.415 nan 8.180 nan 0.000 0.524 435 P HA 0.227 nan 4.420 nan 0.000 0.276 435 P C 0.309 177.301 177.300 -0.514 0.000 1.261 435 P CA -0.083 62.242 63.100 -1.292 0.000 0.800 435 P CB 1.401 32.308 31.700 -1.321 0.000 1.066 436 S N -1.244 114.201 115.700 -0.425 0.000 2.517 436 S HA 0.220 4.689 4.470 -0.000 0.000 0.214 436 S C 0.495 174.982 174.600 -0.189 0.000 0.991 436 S CA 0.019 58.095 58.200 -0.208 0.000 0.906 436 S CB -0.714 62.407 63.200 -0.132 0.000 0.789 436 S HN 0.386 nan 8.310 nan 0.000 0.513 437 V N -0.502 119.262 119.914 -0.250 0.000 2.841 437 V HA 0.909 5.029 4.120 -0.000 0.000 0.310 437 V C -0.346 175.622 176.094 -0.210 0.000 1.090 437 V CA -0.817 61.374 62.300 -0.182 0.000 0.930 437 V CB 0.492 32.233 31.823 -0.136 0.000 1.014 437 V HN 0.876 nan 8.190 nan 0.000 0.425 438 C N 1.431 120.642 119.300 -0.148 0.000 3.253 438 C HA 0.557 5.017 4.460 -0.000 0.000 0.362 438 C C 1.061 176.007 174.990 -0.073 0.000 1.487 438 C CA 0.035 58.974 59.018 -0.132 0.000 1.179 438 C CB 1.154 28.796 27.740 -0.163 0.000 1.660 438 C HN 0.985 nan 8.230 nan 0.000 0.438 439 E N 1.207 121.381 120.200 -0.043 0.000 2.110 439 E HA 0.011 4.361 4.350 -0.000 0.000 0.193 439 E C 0.756 177.351 176.600 -0.009 0.000 0.988 439 E CA 1.947 58.345 56.400 -0.003 0.000 0.804 439 E CB 0.039 29.767 29.700 0.047 0.000 0.745 439 E HN 0.876 nan 8.360 nan 0.000 0.458 440 S N -1.342 114.344 115.700 -0.023 0.000 2.550 440 S HA 0.292 4.762 4.470 -0.000 0.000 0.270 440 S C -0.479 174.099 174.600 -0.037 0.000 1.145 440 S CA -0.818 57.368 58.200 -0.022 0.000 0.852 440 S CB 1.342 64.537 63.200 -0.009 0.000 1.119 440 S HN 0.300 nan 8.310 nan 0.000 0.465 441 N N -0.613 118.067 118.700 -0.034 0.000 2.740 441 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 441 N C -0.723 174.755 175.510 -0.054 0.000 1.062 441 N CA 0.675 53.701 53.050 -0.039 0.000 0.704 441 N CB -1.653 36.812 38.487 -0.038 0.000 0.968 441 N HN 0.680 nan 8.380 nan 0.000 0.547 442 C N -1.593 117.673 119.300 -0.057 0.000 2.913 442 C HA 0.342 4.802 4.460 -0.000 0.000 0.322 442 C C 2.233 177.192 174.990 -0.053 0.000 1.292 442 C CA -0.487 58.489 59.018 -0.071 0.000 1.649 442 C CB 1.674 29.352 27.740 -0.103 0.000 2.139 442 C HN 0.439 nan 8.230 nan 0.000 0.475 443 T N 0.803 115.325 114.554 -0.053 0.000 2.759 443 T HA 0.066 4.416 4.350 -0.000 0.000 0.269 443 T C 0.723 175.400 174.700 -0.039 0.000 1.042 443 T CA 1.837 63.915 62.100 -0.037 0.000 1.140 443 T CB -0.199 68.650 68.868 -0.032 0.000 0.864 443 T HN 0.936 nan 8.240 nan 0.000 0.455 444 G N -1.009 107.759 108.800 -0.054 0.000 2.733 444 G HA2 0.620 4.580 3.960 -0.000 0.000 0.288 444 G HA3 0.620 4.580 3.960 -0.000 0.000 0.288 444 G C -0.583 174.284 174.900 -0.055 0.000 1.373 444 G CA -0.325 44.746 45.100 -0.048 0.000 0.895 444 G HN 0.367 nan 8.290 nan 0.000 0.479 445 G N -1.279 107.496 108.800 -0.041 0.000 2.552 445 G HA2 0.554 4.514 3.960 -0.000 0.000 0.324 445 G HA3 0.554 4.514 3.960 -0.000 0.000 0.324 445 G C -0.821 174.056 174.900 -0.038 0.000 1.217 445 G CA -0.643 44.435 45.100 -0.036 0.000 0.989 445 G HN 0.463 nan 8.290 nan 0.000 0.490 446 L N -0.034 121.170 121.223 -0.031 0.000 2.436 446 L HA 0.395 4.735 4.340 -0.000 0.000 0.265 446 L C 0.876 177.741 176.870 -0.009 0.000 1.168 446 L CA 0.082 54.904 54.840 -0.029 0.000 0.815 446 L CB 1.260 43.299 42.059 -0.034 0.000 1.109 446 L HN 0.368 nan 8.230 nan 0.000 0.462 447 T N 3.523 118.080 114.554 0.005 0.000 2.788 447 T HA 0.417 4.767 4.350 -0.000 0.000 0.296 447 T C -2.479 172.247 174.700 0.045 0.000 1.009 447 T CA -1.233 60.894 62.100 0.045 0.000 0.949 447 T CB 1.341 70.234 68.868 0.043 0.000 0.946 447 T HN 0.298 nan 8.240 nan 0.000 0.453 448 P HA 0.259 nan 4.420 nan 0.000 0.271 448 P C -0.839 176.233 177.300 -0.381 0.000 1.216 448 P CA -0.736 62.157 63.100 -0.344 0.000 0.771 448 P CB 0.510 31.790 31.700 -0.700 0.000 0.864 449 L N 5.324 126.256 121.223 -0.486 0.000 2.301 449 L HA 0.398 4.738 4.340 -0.000 0.000 0.278 449 L C -1.291 175.278 176.870 -0.503 0.000 1.022 449 L CA -0.811 53.680 54.840 -0.583 0.000 0.854 449 L CB -0.394 41.331 42.059 -0.557 0.000 1.226 449 L HN 0.205 nan 8.230 nan 0.000 0.429 450 Y N 4.289 124.426 120.300 -0.272 0.000 2.319 450 Y HA 0.378 4.928 4.550 -0.000 0.000 0.328 450 Y C 0.235 175.978 175.900 -0.262 0.000 1.133 450 Y CA -0.423 57.533 58.100 -0.239 0.000 1.265 450 Y CB 0.771 39.098 38.460 -0.222 0.000 1.218 450 Y HN 0.378 nan 8.280 nan 0.000 0.508 451 L N 2.695 123.836 121.223 -0.137 0.000 2.452 451 L HA 0.506 4.846 4.340 -0.000 0.000 0.267 451 L C 0.329 177.078 176.870 -0.202 0.000 1.188 451 L CA 0.249 54.894 54.840 -0.324 0.000 0.821 451 L CB 0.239 41.930 42.059 -0.614 0.000 1.102 451 L HN 0.852 nan 8.230 nan 0.000 0.470 452 A N 1.432 124.094 122.820 -0.264 0.000 2.567 452 A HA 0.454 4.774 4.320 -0.000 0.000 0.289 452 A C -0.917 176.350 177.584 -0.528 0.000 1.177 452 A CA -0.736 51.098 52.037 -0.337 0.000 0.694 452 A CB 0.650 19.570 19.000 -0.134 0.000 1.292 452 A HN 0.594 nan 8.150 nan 0.000 0.425 453 D N -0.346 119.814 120.400 -0.401 0.000 2.390 453 D HA 0.357 4.997 4.640 -0.000 0.000 0.236 453 D C 1.273 177.486 176.300 -0.146 0.000 1.189 453 D CA 2.082 55.932 54.000 -0.250 0.000 0.887 453 D CB 0.565 41.328 40.800 -0.061 0.000 1.198 453 D HN 1.526 nan 8.370 nan 0.000 0.444 454 G N 2.044 110.782 108.800 -0.103 0.000 2.198 454 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.260 454 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.260 454 G C 0.282 175.206 174.900 0.041 0.000 1.025 454 G CA 0.875 45.973 45.100 -0.003 0.000 0.769 454 G HN 0.855 nan 8.290 nan 0.000 0.507 455 H N -2.193 116.794 119.070 -0.138 0.000 2.626 455 H HA -0.067 4.489 4.556 -0.000 0.000 0.317 455 H C 1.452 176.753 175.328 -0.045 0.000 1.140 455 H CA 1.968 57.867 56.048 -0.249 0.000 1.134 455 H CB -1.240 28.300 29.762 -0.369 0.000 1.486 455 H HN 1.280 nan 8.280 nan 0.000 0.417 456 G N -0.529 108.331 108.800 0.100 0.000 2.552 456 G HA2 0.710 4.670 3.960 -0.000 0.000 0.324 456 G HA3 0.710 4.670 3.960 -0.000 0.000 0.324 456 G C -0.750 174.193 174.900 0.072 0.000 1.217 456 G CA -0.914 44.226 45.100 0.067 0.000 0.989 456 G HN 0.184 nan 8.290 nan 0.000 0.490 457 L N 0.253 121.469 121.223 -0.011 0.000 2.464 457 L HA 0.618 4.958 4.340 -0.000 0.000 0.266 457 L C -0.413 176.368 176.870 -0.148 0.000 0.965 457 L CA -0.668 54.111 54.840 -0.101 0.000 0.833 457 L CB 2.350 44.326 42.059 -0.138 0.000 1.296 457 L HN 0.630 nan 8.230 nan 0.000 0.405 458 S N 0.867 116.463 115.700 -0.172 0.000 2.556 458 S HA 0.543 5.013 4.470 -0.000 0.000 0.271 458 S C 0.090 174.596 174.600 -0.157 0.000 1.135 458 S CA -0.469 57.649 58.200 -0.138 0.000 0.858 458 S CB 1.164 64.359 63.200 -0.008 0.000 1.114 458 S HN 0.449 nan 8.310 nan 0.000 0.468 459 F N 1.576 121.581 119.950 0.092 0.000 2.661 459 F HA 0.127 4.654 4.527 -0.000 0.000 0.298 459 F C 1.531 177.477 175.800 0.243 0.000 1.137 459 F CA 0.381 58.460 58.000 0.132 0.000 1.454 459 F CB 0.130 39.165 39.000 0.058 0.000 1.103 459 F HN 0.383 nan 8.300 nan 0.000 0.577 460 T N -0.737 113.984 114.554 0.279 0.000 2.817 460 T HA 0.021 4.370 4.350 -0.000 0.000 0.293 460 T C -0.462 174.227 174.700 -0.018 0.000 0.964 460 T CA -0.346 61.847 62.100 0.155 0.000 1.085 460 T CB 0.241 69.161 68.868 0.086 0.000 0.921 460 T HN 0.141 nan 8.240 nan 0.000 0.502 461 H N 4.912 123.773 119.070 -0.348 0.000 3.017 461 H HA 0.238 4.794 4.556 -0.000 0.000 0.276 461 H C -2.137 172.932 175.328 -0.431 0.000 1.062 461 H CA -1.731 53.789 56.048 -0.880 0.000 1.486 461 H CB 0.269 29.619 29.762 -0.688 0.000 1.507 461 H HN 0.294 nan 8.280 nan 0.000 0.508 462 P HA 0.035 nan 4.420 nan 0.000 0.271 462 P C 0.001 177.346 177.300 0.075 0.000 1.226 462 P CA -0.025 63.050 63.100 -0.042 0.000 0.765 462 P CB 1.304 32.973 31.700 -0.050 0.000 0.835 463 A N 3.766 126.601 122.820 0.025 0.000 1.873 463 A HA 0.153 4.473 4.320 -0.000 0.000 0.215 463 A C 1.230 178.813 177.584 -0.002 0.000 1.186 463 A CA 1.372 53.405 52.037 -0.006 0.000 0.616 463 A CB -1.037 17.941 19.000 -0.035 0.000 0.823 463 A HN 0.626 nan 8.150 nan 0.000 0.442 464 A N 0.317 123.137 122.820 -0.002 0.000 2.332 464 A HA 0.447 4.767 4.320 -0.000 0.000 0.258 464 A C -0.357 177.216 177.584 -0.019 0.000 1.087 464 A CA -0.415 51.617 52.037 -0.009 0.000 0.802 464 A CB 0.118 19.113 19.000 -0.008 0.000 1.042 464 A HN 0.467 nan 8.150 nan 0.000 0.489 465 D N -0.346 120.033 120.400 -0.035 0.000 2.312 465 D HA 0.571 5.211 4.640 -0.000 0.000 0.248 465 D C 0.266 176.389 176.300 -0.295 0.000 1.086 465 D CA 0.810 54.758 54.000 -0.087 0.000 0.948 465 D CB 1.771 42.618 40.800 0.080 0.000 1.162 465 D HN 0.810 nan 8.370 nan 0.000 0.446 466 G N -1.183 107.143 108.800 -0.790 0.000 2.523 466 G HA2 0.604 4.564 3.960 -0.000 0.000 0.291 466 G HA3 0.604 4.564 3.960 -0.000 0.000 0.291 466 G C -2.029 172.109 174.900 -1.270 0.000 1.450 466 G CA -0.371 44.217 45.100 -0.854 0.000 0.790 466 G HN 0.604 nan 8.290 nan 0.000 0.496 467 A N 0.258 122.702 122.820 -0.627 0.000 2.594 467 A HA 0.743 5.063 4.320 -0.000 0.000 0.296 467 A C -2.046 175.551 177.584 0.021 0.000 1.061 467 A CA -0.678 51.183 52.037 -0.294 0.000 0.689 467 A CB 1.931 20.844 19.000 -0.144 0.000 1.280 467 A HN 0.499 nan 8.150 nan 0.000 0.406 468 D N 1.298 121.791 120.400 0.155 0.000 2.375 468 D HA 0.643 5.283 4.640 -0.000 0.000 0.247 468 D C -0.417 176.020 176.300 0.227 0.000 1.061 468 D CA 0.038 54.149 54.000 0.186 0.000 0.834 468 D CB 2.116 43.025 40.800 0.181 0.000 1.247 468 D HN 0.401 nan 8.370 nan 0.000 0.489 469 S N 1.026 116.847 115.700 0.202 0.000 2.621 469 S HA 0.762 5.232 4.470 -0.000 0.000 0.302 469 S C -0.756 174.011 174.600 0.277 0.000 1.093 469 S CA -0.834 57.475 58.200 0.182 0.000 1.017 469 S CB 1.293 64.556 63.200 0.104 0.000 1.077 469 S HN 0.510 nan 8.310 nan 0.000 0.517 470 Y N -2.144 118.238 120.300 0.136 0.000 2.521 470 Y HA 0.694 5.244 4.550 -0.000 0.000 0.332 470 Y C -1.575 174.387 175.900 0.104 0.000 1.121 470 Y CA -1.405 56.763 58.100 0.114 0.000 1.037 470 Y CB 0.253 38.786 38.460 0.122 0.000 1.330 470 Y HN 0.336 nan 8.280 nan 0.000 0.452 471 V N 2.921 122.941 119.914 0.177 0.000 2.465 471 V HA 0.473 4.593 4.120 -0.000 0.000 0.279 471 V C -0.050 176.146 176.094 0.170 0.000 1.045 471 V CA -0.302 62.051 62.300 0.089 0.000 0.938 471 V CB 1.371 33.245 31.823 0.085 0.000 0.986 471 V HN 0.826 nan 8.190 nan 0.000 0.467 472 S N 3.296 119.049 115.700 0.088 0.000 2.498 472 S HA 0.337 4.807 4.470 -0.000 0.000 0.324 472 S C -0.781 173.871 174.600 0.087 0.000 1.071 472 S CA -0.659 57.615 58.200 0.124 0.000 1.113 472 S CB 0.585 63.824 63.200 0.065 0.000 0.976 472 S HN 0.825 nan 8.310 nan 0.000 0.462 473 D N 5.509 125.978 120.400 0.116 0.000 2.441 473 D HA 0.453 5.093 4.640 -0.000 0.000 0.231 473 D C -1.808 174.541 176.300 0.081 0.000 1.073 473 D CA -2.291 51.777 54.000 0.113 0.000 0.850 473 D CB 1.909 42.814 40.800 0.175 0.000 1.062 473 D HN 0.225 nan 8.370 nan 0.000 0.524 474 P HA -0.049 nan 4.420 nan 0.000 0.221 474 P C 0.885 178.084 177.300 -0.168 0.000 1.145 474 P CA 0.739 63.825 63.100 -0.023 0.000 0.795 474 P CB 0.266 32.030 31.700 0.107 0.000 0.775 475 A N -1.325 121.404 122.820 -0.152 0.000 2.066 475 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 475 A C 0.540 177.828 177.584 -0.492 0.000 1.157 475 A CA 1.156 52.991 52.037 -0.336 0.000 0.670 475 A CB -1.115 17.688 19.000 -0.328 0.000 0.804 475 A HN 0.294 nan 8.150 nan 0.000 0.453 476 H N -0.533 118.526 119.070 -0.019 0.000 2.379 476 H HA 0.279 4.835 4.556 -0.000 0.000 0.229 476 H C -2.771 172.606 175.328 0.081 0.000 1.423 476 H CA -1.676 54.411 56.048 0.065 0.000 1.375 476 H CB 0.635 30.442 29.762 0.075 0.000 1.592 476 H HN 0.299 nan 8.280 nan 0.000 0.507 477 P HA 0.018 nan 4.420 nan 0.000 0.274 477 P C 0.133 177.625 177.300 0.319 0.000 1.231 477 P CA -0.380 62.777 63.100 0.095 0.000 0.790 477 P CB 1.702 33.270 31.700 -0.220 0.000 0.951 478 V N 3.975 124.074 119.914 0.308 0.000 2.479 478 V HA 0.088 4.208 4.120 -0.000 0.000 0.281 478 V C -1.907 174.467 176.094 0.467 0.000 1.031 478 V CA -1.237 61.263 62.300 0.333 0.000 1.038 478 V CB -0.152 31.831 31.823 0.266 0.000 0.981 478 V HN 0.553 nan 8.190 nan 0.000 0.478 479 P HA 0.064 nan 4.420 nan 0.000 0.267 479 P C 0.503 177.986 177.300 0.305 0.000 1.205 479 P CA -0.195 63.129 63.100 0.373 0.000 0.765 479 P CB 0.322 32.078 31.700 0.093 0.000 0.828 480 F N 4.983 124.968 119.950 0.058 0.000 2.234 480 F HA 0.068 4.594 4.527 -0.000 0.000 0.299 480 F C 0.629 176.350 175.800 -0.132 0.000 1.087 480 F CA 0.438 58.357 58.000 -0.135 0.000 1.340 480 F CB -0.658 37.847 39.000 -0.826 0.000 1.031 480 F HN 0.146 nan 8.300 nan 0.000 0.500 481 I N -2.834 117.173 120.570 -0.939 0.000 3.095 481 I HA 0.515 4.685 4.170 -0.000 0.000 0.310 481 I C -0.241 175.619 176.117 -0.428 0.000 1.196 481 I CA -1.434 59.447 61.300 -0.698 0.000 0.985 481 I CB 1.735 39.163 38.000 -0.954 0.000 1.250 481 I HN -0.270 nan 8.210 nan 0.000 0.446 482 S N 2.149 117.695 115.700 -0.257 0.000 2.558 482 S HA 0.137 4.607 4.470 -0.000 0.000 0.293 482 S C 0.197 174.714 174.600 -0.138 0.000 1.292 482 S CA -0.310 57.793 58.200 -0.160 0.000 1.063 482 S CB -0.052 63.081 63.200 -0.112 0.000 0.831 482 S HN 0.459 nan 8.310 nan 0.000 0.499 483 R N 2.849 123.274 120.500 -0.126 0.000 2.594 483 R HA 0.314 4.654 4.340 -0.000 0.000 0.272 483 R C -1.970 174.298 176.300 -0.053 0.000 1.074 483 R CA -1.172 54.871 56.100 -0.096 0.000 1.105 483 R CB -0.146 30.044 30.300 -0.185 0.000 1.008 483 R HN 0.455 nan 8.270 nan 0.000 0.472 484 P HA 0.286 nan 4.420 nan 0.000 0.282 484 P C -1.366 175.983 177.300 0.083 0.000 1.259 484 P CA -0.366 62.745 63.100 0.020 0.000 0.826 484 P CB 0.830 32.535 31.700 0.009 0.000 1.064 485 F N 0.578 120.473 119.950 -0.092 0.000 2.596 485 F HA 0.633 5.160 4.527 -0.000 0.000 0.311 485 F C -1.788 173.912 175.800 -0.166 0.000 1.116 485 F CA -0.600 57.315 58.000 -0.142 0.000 0.957 485 F CB 1.769 40.634 39.000 -0.224 0.000 1.250 485 F HN 0.549 nan 8.300 nan 0.000 0.444 486 A N 5.272 127.403 122.820 -1.148 0.000 2.355 486 A HA 0.549 4.869 4.320 -0.000 0.000 0.317 486 A C -0.251 176.522 177.584 -1.352 0.000 1.094 486 A CA -0.624 50.842 52.037 -0.951 0.000 0.764 486 A CB 0.476 19.241 19.000 -0.392 0.000 1.230 486 A HN 0.864 nan 8.150 nan 0.000 0.448 487 F N 1.683 121.145 119.950 -0.813 0.000 2.236 487 F HA -0.217 4.310 4.527 -0.000 0.000 0.302 487 F C 2.598 178.164 175.800 -0.391 0.000 1.073 487 F CA 1.959 59.605 58.000 -0.590 0.000 1.336 487 F CB -0.033 38.712 39.000 -0.425 0.000 1.040 487 F HN 0.665 nan 8.300 nan 0.000 0.507 488 A N -0.543 122.186 122.820 -0.151 0.000 2.019 488 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 488 A C 1.308 178.850 177.584 -0.070 0.000 1.164 488 A CA 0.700 52.685 52.037 -0.086 0.000 0.644 488 A CB -0.687 18.269 19.000 -0.073 0.000 0.805 488 A HN 0.390 nan 8.150 nan 0.000 0.449 489 Q N 0.899 120.617 119.800 -0.137 0.000 2.613 489 Q HA 0.202 4.542 4.340 -0.000 0.000 0.228 489 Q C 0.824 176.918 176.000 0.158 0.000 1.318 489 Q CA -0.182 55.613 55.803 -0.012 0.000 0.907 489 Q CB 0.195 28.909 28.738 -0.040 0.000 1.593 489 Q HN 0.535 nan 8.270 nan 0.000 0.559 490 S N 0.544 116.333 115.700 0.148 0.000 2.370 490 S HA -0.205 4.265 4.470 -0.000 0.000 0.226 490 S C 2.028 176.774 174.600 0.243 0.000 1.033 490 S CA 1.550 59.893 58.200 0.238 0.000 1.011 490 S CB -0.067 63.222 63.200 0.148 0.000 0.852 490 S HN 0.782 nan 8.310 nan 0.000 0.457 491 S N 1.864 117.655 115.700 0.151 0.000 2.419 491 S HA -0.072 4.398 4.470 -0.000 0.000 0.235 491 S C 1.688 176.369 174.600 0.136 0.000 1.019 491 S CA 0.775 59.041 58.200 0.111 0.000 0.982 491 S CB -0.285 62.954 63.200 0.065 0.000 0.789 491 S HN 0.470 nan 8.310 nan 0.000 0.490 492 R N -0.971 119.655 120.500 0.211 0.000 2.206 492 R HA 0.171 4.511 4.340 -0.000 0.000 0.198 492 R C 2.081 178.559 176.300 0.298 0.000 0.986 492 R CA 0.532 56.763 56.100 0.217 0.000 1.029 492 R CB -0.268 30.184 30.300 0.253 0.000 0.966 492 R HN 0.664 nan 8.270 nan 0.000 0.487 493 W N 2.825 124.282 121.300 0.263 0.000 2.407 493 W HA -0.133 4.527 4.660 -0.000 0.000 0.305 493 W C 1.106 177.809 176.519 0.306 0.000 1.196 493 W CA 1.199 58.723 57.345 0.298 0.000 1.311 493 W CB 0.019 29.687 29.460 0.347 0.000 1.135 493 W HN -0.078 nan 8.180 nan 0.000 0.514 494 K N 0.047 120.511 120.400 0.105 0.000 2.044 494 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 494 K C -1.078 175.456 176.600 -0.109 0.000 1.049 494 K CA 2.008 58.265 56.287 -0.050 0.000 0.927 494 K CB -1.495 31.049 32.500 0.072 0.000 0.713 494 K HN 0.164 nan 8.250 nan 0.000 0.443 495 P HA -0.026 nan 4.420 nan 0.000 0.254 495 P C 0.313 177.524 177.300 -0.149 0.000 1.620 495 P CA -0.173 62.855 63.100 -0.120 0.000 1.050 495 P CB -0.541 31.110 31.700 -0.081 0.000 1.539 496 W N 0.270 121.407 121.300 -0.272 0.000 2.374 496 W HA -0.085 4.575 4.660 0.000 0.000 0.288 496 W C 0.550 176.951 176.519 -0.196 0.000 1.218 496 W CA 0.227 57.408 57.345 -0.273 0.000 1.245 496 W CB -1.424 27.837 29.460 -0.332 0.000 1.126 496 W HN -0.148 nan 8.180 nan 0.000 0.545 497 L N 2.048 122.681 121.223 -0.985 0.000 2.456 497 L HA -0.135 4.205 4.340 -0.000 0.000 0.224 497 L C 2.143 178.742 176.870 -0.453 0.000 1.148 497 L CA 1.010 55.319 54.840 -0.885 0.000 0.825 497 L CB -0.503 41.156 42.059 -0.667 0.000 0.937 497 L HN -0.002 nan 8.230 nan 0.000 0.450 498 V N -4.810 114.825 119.914 -0.465 0.000 3.376 498 V HA 0.197 4.317 4.120 -0.000 0.000 0.313 498 V C 0.800 176.834 176.094 -0.100 0.000 1.393 498 V CA -0.451 61.584 62.300 -0.442 0.000 1.125 498 V CB -0.252 31.124 31.823 -0.745 0.000 1.037 498 V HN 0.129 nan 8.190 nan 0.000 0.440 499 Q N 1.602 121.369 119.800 -0.054 0.000 2.354 499 Q HA 0.271 4.611 4.340 -0.000 0.000 0.244 499 Q C -0.327 175.635 176.000 -0.062 0.000 0.969 499 Q CA -0.004 55.807 55.803 0.014 0.000 0.885 499 Q CB 1.099 29.831 28.738 -0.010 0.000 1.241 499 Q HN 0.504 nan 8.270 nan 0.000 0.461 500 D N 1.415 121.626 120.400 -0.316 0.000 2.458 500 D HA -0.060 4.580 4.640 -0.000 0.000 0.243 500 D C 0.178 176.312 176.300 -0.276 0.000 1.146 500 D CA 0.258 53.841 54.000 -0.696 0.000 0.877 500 D CB 0.765 40.994 40.800 -0.951 0.000 1.176 500 D HN 0.191 nan 8.370 nan 0.000 0.461 501 Q N 3.306 122.994 119.800 -0.187 0.000 2.222 501 Q HA 0.098 4.438 4.340 -0.000 0.000 0.206 501 Q C 1.374 177.335 176.000 -0.065 0.000 0.877 501 Q CA -0.042 55.731 55.803 -0.051 0.000 0.958 501 Q CB 0.252 29.008 28.738 0.030 0.000 1.075 501 Q HN 0.490 nan 8.270 nan 0.000 0.483 502 R N 0.663 121.089 120.500 -0.124 0.000 2.120 502 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 502 R C 1.984 178.244 176.300 -0.066 0.000 1.123 502 R CA 1.091 57.135 56.100 -0.095 0.000 0.975 502 R CB 0.154 30.386 30.300 -0.114 0.000 0.866 502 R HN 0.379 nan 8.270 nan 0.000 0.446 503 E N 0.671 120.834 120.200 -0.062 0.000 2.051 503 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 503 E C 1.901 178.490 176.600 -0.018 0.000 0.991 503 E CA 1.308 57.683 56.400 -0.040 0.000 0.799 503 E CB -0.053 29.623 29.700 -0.040 0.000 0.748 503 E HN 0.343 nan 8.360 nan 0.000 0.449 504 A N 1.339 124.162 122.820 0.004 0.000 1.908 504 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 504 A C 2.084 179.660 177.584 -0.014 0.000 1.181 504 A CA 1.814 53.864 52.037 0.022 0.000 0.627 504 A CB -0.717 18.320 19.000 0.063 0.000 0.818 504 A HN 0.506 nan 8.150 nan 0.000 0.445 505 E N 0.438 120.621 120.200 -0.028 0.000 2.160 505 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 505 E C 1.955 178.518 176.600 -0.062 0.000 0.991 505 E CA 1.461 57.830 56.400 -0.052 0.000 0.810 505 E CB -0.118 29.550 29.700 -0.054 0.000 0.742 505 E HN 0.752 nan 8.360 nan 0.000 0.466 506 S N -0.189 115.481 115.700 -0.049 0.000 2.522 506 S HA 0.010 4.480 4.470 -0.000 0.000 0.227 506 S C 0.787 175.363 174.600 -0.041 0.000 0.986 506 S CA -0.146 58.024 58.200 -0.049 0.000 0.929 506 S CB -0.090 63.085 63.200 -0.042 0.000 0.769 506 S HN 0.098 nan 8.310 nan 0.000 0.529 507 R N 1.956 122.437 120.500 -0.032 0.000 2.457 507 R HA 0.335 4.675 4.340 -0.000 0.000 0.284 507 R C -1.823 174.466 176.300 -0.018 0.000 1.024 507 R CA -1.987 54.103 56.100 -0.017 0.000 1.025 507 R CB 0.348 30.651 30.300 0.005 0.000 1.063 507 R HN 0.140 nan 8.270 nan 0.000 0.493 508 P HA -0.074 nan 4.420 nan 0.000 0.241 508 P C -0.292 177.060 177.300 0.087 0.000 1.191 508 P CA 0.866 63.986 63.100 0.032 0.000 0.771 508 P CB 0.227 31.949 31.700 0.036 0.000 0.929 509 D N -0.507 119.940 120.400 0.078 0.000 2.427 509 D HA 0.125 4.764 4.640 -0.000 0.000 0.224 509 D C -0.091 176.147 176.300 -0.103 0.000 1.157 509 D CA -0.745 53.345 54.000 0.149 0.000 0.828 509 D CB -0.285 40.624 40.800 0.182 0.000 0.974 509 D HN -0.050 nan 8.370 nan 0.000 0.498 510 V N 0.493 120.271 119.914 -0.226 0.000 2.733 510 V HA 0.374 4.494 4.120 -0.000 0.000 0.306 510 V C -0.202 175.712 176.094 -0.299 0.000 1.084 510 V CA -1.235 60.857 62.300 -0.346 0.000 0.905 510 V CB 2.215 33.952 31.823 -0.142 0.000 1.010 510 V HN 0.165 nan 8.190 nan 0.000 0.424 511 V N 1.302 121.022 119.914 -0.322 0.000 2.435 511 V HA 0.865 4.985 4.120 -0.000 0.000 0.290 511 V C -0.109 175.974 176.094 -0.017 0.000 1.030 511 V CA -0.158 62.093 62.300 -0.081 0.000 0.881 511 V CB 1.435 33.341 31.823 0.139 0.000 0.983 511 V HN 0.842 nan 8.190 nan 0.000 0.445 512 T N 4.892 119.373 114.554 -0.122 0.000 2.824 512 T HA 0.727 5.077 4.350 -0.000 0.000 0.282 512 T C -1.268 173.306 174.700 -0.211 0.000 0.993 512 T CA -0.153 61.904 62.100 -0.072 0.000 0.967 512 T CB 1.187 70.000 68.868 -0.092 0.000 0.960 512 T HN 0.655 nan 8.240 nan 0.000 0.441 513 Y N 1.415 121.745 120.300 0.051 0.000 2.499 513 Y HA 0.592 5.142 4.550 -0.000 0.000 0.347 513 Y C 0.335 176.229 175.900 -0.010 0.000 0.987 513 Y CA -1.152 56.967 58.100 0.032 0.000 1.044 513 Y CB 1.862 40.311 38.460 -0.018 0.000 1.245 513 Y HN 0.721 nan 8.280 nan 0.000 0.461 514 E N -0.740 119.530 120.200 0.116 0.000 2.390 514 E HA 0.546 4.896 4.350 -0.000 0.000 0.277 514 E C -1.162 175.446 176.600 0.014 0.000 0.939 514 E CA -1.217 55.210 56.400 0.045 0.000 0.769 514 E CB 1.910 31.628 29.700 0.030 0.000 1.251 514 E HN 0.530 nan 8.360 nan 0.000 0.450 515 T N -0.436 114.106 114.554 -0.020 0.000 2.754 515 T HA 0.224 4.574 4.350 -0.000 0.000 0.286 515 T C 0.400 175.105 174.700 0.009 0.000 0.997 515 T CA -0.805 61.279 62.100 -0.027 0.000 0.982 515 T CB 0.769 69.606 68.868 -0.051 0.000 1.027 515 T HN 0.446 nan 8.240 nan 0.000 0.529 516 E N 0.267 120.478 120.200 0.019 0.000 2.392 516 E HA 0.203 4.553 4.350 -0.000 0.000 0.256 516 E C 0.291 176.918 176.600 0.046 0.000 1.145 516 E CA -0.414 56.004 56.400 0.031 0.000 0.929 516 E CB 1.046 30.767 29.700 0.034 0.000 0.998 516 E HN 0.639 nan 8.360 nan 0.000 0.442 517 V N 2.065 122.009 119.914 0.050 0.000 2.599 517 V HA 0.008 4.128 4.120 -0.000 0.000 0.300 517 V C 0.117 176.259 176.094 0.080 0.000 1.034 517 V CA -0.148 62.194 62.300 0.069 0.000 1.115 517 V CB -0.214 31.645 31.823 0.059 0.000 0.934 517 V HN 0.411 nan 8.190 nan 0.000 0.485 518 L N 5.983 127.271 121.223 0.109 0.000 2.410 518 L HA 0.294 4.634 4.340 -0.000 0.000 0.273 518 L C 0.988 177.914 176.870 0.093 0.000 1.152 518 L CA -0.139 54.767 54.840 0.110 0.000 0.855 518 L CB 0.396 42.541 42.059 0.142 0.000 1.129 518 L HN 0.701 nan 8.230 nan 0.000 0.463 519 D N 0.793 121.238 120.400 0.075 0.000 2.327 519 D HA 0.047 4.687 4.640 -0.000 0.000 0.205 519 D C 0.265 176.597 176.300 0.052 0.000 0.989 519 D CA 0.920 54.955 54.000 0.058 0.000 0.873 519 D CB 0.617 41.446 40.800 0.047 0.000 0.955 519 D HN 0.439 nan 8.370 nan 0.000 0.515 520 E N 0.707 120.941 120.200 0.057 0.000 2.308 520 E HA 0.302 4.652 4.350 -0.000 0.000 0.275 520 E C -2.503 174.129 176.600 0.055 0.000 0.890 520 E CA -1.875 54.551 56.400 0.043 0.000 0.754 520 E CB 2.710 32.427 29.700 0.027 0.000 1.207 520 E HN -0.067 nan 8.360 nan 0.000 0.426 521 P HA 0.094 nan 4.420 nan 0.000 0.272 521 P C -0.263 177.076 177.300 0.065 0.000 1.223 521 P CA -0.378 62.751 63.100 0.049 0.000 0.784 521 P CB 0.698 32.399 31.700 0.001 0.000 0.923 522 V N 1.224 121.218 119.914 0.134 0.000 2.487 522 V HA 0.563 4.683 4.120 -0.000 0.000 0.298 522 V C -0.339 175.872 176.094 0.195 0.000 1.028 522 V CA -0.917 61.471 62.300 0.147 0.000 0.860 522 V CB 1.523 33.458 31.823 0.187 0.000 0.991 522 V HN 0.371 nan 8.190 nan 0.000 0.427 523 R N 4.047 124.608 120.500 0.102 0.000 2.407 523 R HA 0.825 5.165 4.340 -0.000 0.000 0.303 523 R C -0.720 175.645 176.300 0.108 0.000 0.981 523 R CA -0.585 55.558 56.100 0.072 0.000 0.905 523 R CB 2.066 32.381 30.300 0.024 0.000 1.099 523 R HN 0.938 nan 8.270 nan 0.000 0.459 524 V N -1.440 118.547 119.914 0.122 0.000 2.789 524 V HA 0.764 4.884 4.120 -0.000 0.000 0.311 524 V C -0.539 175.609 176.094 0.090 0.000 1.073 524 V CA -0.684 61.694 62.300 0.131 0.000 0.921 524 V CB 2.120 34.090 31.823 0.246 0.000 1.009 524 V HN 0.717 nan 8.190 nan 0.000 0.426 525 S N 2.085 117.822 115.700 0.061 0.000 2.382 525 S HA 0.804 5.274 4.470 -0.000 0.000 0.228 525 S C -0.237 174.372 174.600 0.016 0.000 0.996 525 S CA 0.628 58.891 58.200 0.104 0.000 1.094 525 S CB 0.261 63.514 63.200 0.089 0.000 1.209 525 S HN 2.496 nan 8.310 nan 0.000 0.420 526 G N 1.341 110.174 108.800 0.054 0.000 2.351 526 G HA2 0.357 4.317 3.960 -0.000 0.000 0.279 526 G HA3 0.357 4.317 3.960 -0.000 0.000 0.279 526 G C -1.153 173.693 174.900 -0.090 0.000 1.297 526 G CA 0.070 45.032 45.100 -0.230 0.000 0.886 526 G HN 1.680 nan 8.290 nan 0.000 0.493 527 V N 0.130 119.947 119.914 -0.161 0.000 2.370 527 V HA 0.805 4.925 4.120 -0.000 0.000 0.283 527 V C -2.462 173.591 176.094 -0.068 0.000 1.023 527 V CA -1.832 60.420 62.300 -0.080 0.000 0.857 527 V CB 1.342 33.108 31.823 -0.096 0.000 0.985 527 V HN 0.608 nan 8.190 nan 0.000 0.443 528 P HA 0.486 nan 4.420 nan 0.000 0.276 528 P C -0.980 176.264 177.300 -0.094 0.000 1.244 528 P CA -0.334 62.734 63.100 -0.053 0.000 0.801 528 P CB 1.316 33.003 31.700 -0.021 0.000 1.006 529 V N 0.663 120.477 119.914 -0.167 0.000 2.638 529 V HA 0.599 4.719 4.120 -0.000 0.000 0.306 529 V C -0.006 175.834 176.094 -0.424 0.000 1.052 529 V CA -1.035 61.083 62.300 -0.303 0.000 0.885 529 V CB 1.600 33.225 31.823 -0.330 0.000 0.999 529 V HN 0.676 nan 8.190 nan 0.000 0.424 530 A N 2.525 124.947 122.820 -0.664 0.000 2.362 530 A HA 0.597 4.917 4.320 -0.000 0.000 0.276 530 A C -0.272 176.894 177.584 -0.695 0.000 1.153 530 A CA -0.069 51.523 52.037 -0.742 0.000 0.813 530 A CB 0.149 18.399 19.000 -1.250 0.000 1.081 530 A HN 0.872 nan 8.150 nan 0.000 0.507 531 D N 2.385 122.555 120.400 -0.383 0.000 2.460 531 D HA 0.420 5.060 4.640 -0.000 0.000 0.268 531 D C -1.082 175.130 176.300 -0.147 0.000 1.153 531 D CA -0.104 53.795 54.000 -0.167 0.000 0.929 531 D CB 0.410 41.227 40.800 0.027 0.000 1.015 531 D HN 0.347 nan 8.370 nan 0.000 0.502 532 L N 3.290 124.369 121.223 -0.241 0.000 2.295 532 L HA 0.592 4.932 4.340 -0.000 0.000 0.285 532 L C -1.477 175.250 176.870 -0.238 0.000 1.035 532 L CA -0.325 54.404 54.840 -0.184 0.000 0.806 532 L CB 0.626 42.548 42.059 -0.228 0.000 1.214 532 L HN 0.135 nan 8.230 nan 0.000 0.426 533 F N 5.258 125.220 119.950 0.019 0.000 2.366 533 F HA 0.749 5.276 4.527 -0.000 0.000 0.366 533 F C 0.278 176.051 175.800 -0.045 0.000 1.096 533 F CA -0.257 57.755 58.000 0.019 0.000 1.060 533 F CB 1.383 40.373 39.000 -0.018 0.000 1.282 533 F HN 0.639 nan 8.300 nan 0.000 0.450 534 A N 2.142 124.972 122.820 0.017 0.000 2.475 534 A HA 0.964 5.284 4.320 -0.000 0.000 0.301 534 A C -1.419 176.183 177.584 0.031 0.000 1.059 534 A CA -0.689 51.239 52.037 -0.182 0.000 0.710 534 A CB 1.412 19.800 19.000 -1.020 0.000 1.288 534 A HN 0.786 nan 8.150 nan 0.000 0.408 535 A N 0.347 123.240 122.820 0.121 0.000 2.401 535 A HA 0.897 5.217 4.320 -0.000 0.000 0.310 535 A C -0.297 177.478 177.584 0.318 0.000 1.075 535 A CA -0.229 51.940 52.037 0.219 0.000 0.746 535 A CB 1.639 20.726 19.000 0.144 0.000 1.277 535 A HN 1.488 nan 8.150 nan 0.000 0.425 536 T N -0.373 114.364 114.554 0.305 0.000 2.900 536 T HA 0.456 4.806 4.350 -0.000 0.000 0.295 536 T C 1.146 175.920 174.700 0.123 0.000 1.044 536 T CA 0.251 62.482 62.100 0.218 0.000 0.995 536 T CB 1.228 70.220 68.868 0.206 0.000 1.072 536 T HN 1.284 nan 8.240 nan 0.000 0.473 537 S N 2.310 118.053 115.700 0.070 0.000 2.515 537 S HA 0.222 4.692 4.470 -0.000 0.000 0.231 537 S C 1.206 175.835 174.600 0.049 0.000 0.987 537 S CA 0.223 58.455 58.200 0.053 0.000 0.936 537 S CB -0.344 62.878 63.200 0.036 0.000 0.766 537 S HN 0.899 nan 8.310 nan 0.000 0.528 538 G N 1.069 109.898 108.800 0.048 0.000 2.510 538 G HA2 0.425 4.385 3.960 -0.000 0.000 0.280 538 G HA3 0.425 4.385 3.960 -0.000 0.000 0.280 538 G C 0.541 175.480 174.900 0.064 0.000 1.386 538 G CA 0.113 45.239 45.100 0.044 0.000 1.047 538 G HN 0.388 nan 8.290 nan 0.000 0.527 539 T N -3.044 111.552 114.554 0.070 0.000 3.085 539 T HA 0.329 4.679 4.350 -0.000 0.000 0.264 539 T C -0.175 174.606 174.700 0.134 0.000 1.019 539 T CA 0.016 62.170 62.100 0.089 0.000 0.910 539 T CB 0.334 69.256 68.868 0.090 0.000 1.059 539 T HN 0.415 nan 8.240 nan 0.000 0.542 540 D N -0.494 119.973 120.400 0.111 0.000 2.648 540 D HA 0.634 5.274 4.640 -0.000 0.000 0.244 540 D C -1.616 174.683 176.300 -0.002 0.000 1.244 540 D CA -0.189 53.876 54.000 0.109 0.000 0.772 540 D CB 2.070 42.941 40.800 0.117 0.000 1.379 540 D HN 0.035 nan 8.370 nan 0.000 0.428 541 S N 0.379 116.034 115.700 -0.074 0.000 2.614 541 S HA 0.376 4.846 4.470 -0.000 0.000 0.280 541 S C -2.038 172.278 174.600 -0.474 0.000 1.111 541 S CA -0.793 57.197 58.200 -0.351 0.000 0.847 541 S CB 1.382 64.191 63.200 -0.652 0.000 1.079 541 S HN 0.387 nan 8.310 nan 0.000 0.452 542 D N 0.480 120.548 120.400 -0.554 0.000 2.217 542 D HA 0.608 5.248 4.640 -0.000 0.000 0.248 542 D C -1.237 174.652 176.300 -0.685 0.000 1.008 542 D CA 0.016 53.769 54.000 -0.412 0.000 0.914 542 D CB 0.828 41.524 40.800 -0.174 0.000 1.182 542 D HN 0.427 nan 8.370 nan 0.000 0.451 543 W N 0.981 122.253 121.300 -0.046 0.000 2.647 543 W HA 0.477 5.137 4.660 -0.000 0.000 0.328 543 W C -1.019 175.462 176.519 -0.062 0.000 1.018 543 W CA -0.904 56.404 57.345 -0.062 0.000 1.245 543 W CB 1.272 30.630 29.460 -0.170 0.000 1.356 543 W HN -0.069 nan 8.180 nan 0.000 0.443 544 V N 4.490 124.455 119.914 0.085 0.000 2.398 544 V HA 0.537 4.657 4.120 -0.000 0.000 0.286 544 V C -0.315 175.754 176.094 -0.040 0.000 1.026 544 V CA -0.957 61.246 62.300 -0.163 0.000 0.868 544 V CB 1.365 32.840 31.823 -0.579 0.000 0.982 544 V HN 0.296 nan 8.190 nan 0.000 0.443 545 V N 5.650 125.585 119.914 0.036 0.000 2.487 545 V HA 0.521 4.641 4.120 -0.000 0.000 0.298 545 V C -0.284 175.843 176.094 0.055 0.000 1.028 545 V CA -0.903 61.440 62.300 0.072 0.000 0.860 545 V CB 1.923 33.824 31.823 0.130 0.000 0.991 545 V HN 0.868 nan 8.190 nan 0.000 0.427 546 K N 4.503 124.930 120.400 0.045 0.000 2.345 546 K HA 0.652 4.972 4.320 -0.000 0.000 0.255 546 K C -1.327 175.327 176.600 0.090 0.000 0.934 546 K CA -0.854 55.489 56.287 0.093 0.000 0.801 546 K CB 2.672 35.234 32.500 0.104 0.000 1.137 546 K HN 0.443 nan 8.250 nan 0.000 0.424 547 L N 4.832 126.122 121.223 0.112 0.000 2.265 547 L HA 0.493 4.833 4.340 -0.000 0.000 0.289 547 L C -1.218 175.755 176.870 0.172 0.000 1.033 547 L CA -0.231 54.677 54.840 0.114 0.000 0.814 547 L CB 0.503 42.630 42.059 0.113 0.000 1.203 547 L HN 0.586 nan 8.230 nan 0.000 0.423 548 I N 3.849 124.527 120.570 0.180 0.000 2.530 548 I HA 0.341 4.511 4.170 -0.000 0.000 0.297 548 I C -0.892 175.435 176.117 0.351 0.000 1.011 548 I CA -0.706 60.728 61.300 0.224 0.000 1.107 548 I CB 2.052 40.147 38.000 0.158 0.000 1.285 548 I HN 0.511 nan 8.210 nan 0.000 0.436 549 D N 5.646 126.283 120.400 0.395 0.000 2.412 549 D HA 0.269 4.908 4.640 -0.000 0.000 0.224 549 D C -0.816 175.715 176.300 0.386 0.000 1.093 549 D CA -0.294 54.033 54.000 0.544 0.000 0.850 549 D CB 1.318 42.387 40.800 0.447 0.000 1.046 549 D HN 0.072 nan 8.370 nan 0.000 0.507 550 V N 5.213 125.323 119.914 0.326 0.000 2.427 550 V HA 0.125 4.245 4.120 -0.000 0.000 0.268 550 V C 0.777 176.940 176.094 0.116 0.000 1.046 550 V CA -0.678 61.738 62.300 0.194 0.000 0.970 550 V CB 0.797 32.694 31.823 0.123 0.000 1.001 550 V HN 0.485 nan 8.190 nan 0.000 0.476 551 Q N 5.422 125.244 119.800 0.037 0.000 2.454 551 Q HA 0.269 4.609 4.340 -0.000 0.000 0.247 551 Q C -2.263 173.577 176.000 -0.267 0.000 1.028 551 Q CA -2.022 53.636 55.803 -0.241 0.000 0.910 551 Q CB -0.023 28.674 28.738 -0.068 0.000 1.276 551 Q HN 0.433 nan 8.270 nan 0.000 0.489 552 P HA -0.083 nan 4.420 nan 0.000 0.265 552 P C 0.105 177.359 177.300 -0.076 0.000 1.187 552 P CA 0.531 63.525 63.100 -0.178 0.000 0.766 552 P CB 0.408 32.030 31.700 -0.131 0.000 0.820 553 A N 3.890 126.688 122.820 -0.037 0.000 1.940 553 A HA -0.182 4.138 4.320 -0.000 0.000 0.221 553 A C 0.958 178.535 177.584 -0.013 0.000 1.190 553 A CA 1.861 53.888 52.037 -0.016 0.000 0.647 553 A CB -0.661 18.336 19.000 -0.006 0.000 0.821 553 A HN 0.506 nan 8.150 nan 0.000 0.457 554 M N -0.134 119.456 119.600 -0.016 0.000 2.327 554 M HA 0.298 4.778 4.480 -0.000 0.000 0.298 554 M C -0.919 175.370 176.300 -0.017 0.000 1.065 554 M CA -0.110 55.183 55.300 -0.011 0.000 0.916 554 M CB 1.660 34.256 32.600 -0.006 0.000 1.630 554 M HN 0.267 nan 8.290 nan 0.000 0.442 555 T N -0.355 114.189 114.554 -0.017 0.000 3.155 555 T HA 0.430 4.780 4.350 -0.000 0.000 0.384 555 T C -1.989 172.702 174.700 -0.015 0.000 1.351 555 T CA -1.432 60.656 62.100 -0.020 0.000 1.198 555 T CB 0.667 69.516 68.868 -0.031 0.000 1.106 555 T HN 0.381 nan 8.240 nan 0.000 0.564 556 P HA -0.027 nan 4.420 nan 0.000 0.222 556 P C 0.525 177.818 177.300 -0.010 0.000 1.147 556 P CA 0.873 63.968 63.100 -0.008 0.000 0.790 556 P CB 0.294 31.991 31.700 -0.004 0.000 0.780 557 D N -0.568 119.825 120.400 -0.012 0.000 2.277 557 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 557 D C 0.434 176.720 176.300 -0.022 0.000 0.962 557 D CA 1.284 55.276 54.000 -0.014 0.000 0.865 557 D CB -0.245 40.548 40.800 -0.012 0.000 0.939 557 D HN 0.190 nan 8.370 nan 0.000 0.510 558 D N -1.222 119.162 120.400 -0.028 0.000 2.586 558 D HA 0.154 4.794 4.640 -0.000 0.000 0.254 558 D C -2.088 174.192 176.300 -0.032 0.000 1.248 558 D CA -1.895 52.081 54.000 -0.038 0.000 0.843 558 D CB 1.314 42.079 40.800 -0.059 0.000 1.332 558 D HN -0.239 nan 8.370 nan 0.000 0.523 559 P HA -0.211 nan 4.420 nan 0.000 0.217 559 P C 1.249 178.548 177.300 -0.003 0.000 1.151 559 P CA 1.509 64.603 63.100 -0.011 0.000 0.849 559 P CB 0.105 31.799 31.700 -0.009 0.000 0.787 560 K N -1.169 119.228 120.400 -0.005 0.000 2.360 560 K HA -0.054 4.266 4.320 -0.000 0.000 0.201 560 K C 1.436 178.066 176.600 0.051 0.000 1.046 560 K CA 1.217 57.515 56.287 0.019 0.000 0.945 560 K CB -0.550 31.955 32.500 0.009 0.000 0.750 560 K HN 0.060 nan 8.250 nan 0.000 0.464 561 M N 1.620 121.222 119.600 0.003 0.000 2.618 561 M HA 0.109 4.589 4.480 -0.000 0.000 0.240 561 M C 0.690 177.029 176.300 0.065 0.000 1.123 561 M CA 0.200 55.501 55.300 0.003 0.000 1.060 561 M CB -0.382 32.143 32.600 -0.126 0.000 1.535 561 M HN 0.217 nan 8.290 nan 0.000 0.507 562 G N 0.419 109.243 108.800 0.041 0.000 2.248 562 G HA2 0.309 4.269 3.960 -0.000 0.000 0.260 562 G HA3 0.309 4.269 3.960 -0.000 0.000 0.260 562 G C 1.110 176.036 174.900 0.043 0.000 1.214 562 G CA 0.364 45.478 45.100 0.024 0.000 0.979 562 G HN 0.702 nan 8.290 nan 0.000 0.454 563 G N 1.616 110.434 108.800 0.029 0.000 2.168 563 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.257 563 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.257 563 G C 0.413 175.357 174.900 0.073 0.000 0.997 563 G CA 0.694 45.813 45.100 0.033 0.000 0.708 563 G HN 1.099 nan 8.290 nan 0.000 0.520 564 Y N 1.440 121.725 120.300 -0.024 0.000 2.632 564 Y HA 0.373 4.923 4.550 -0.000 0.000 0.329 564 Y C 0.780 176.688 175.900 0.013 0.000 1.174 564 Y CA 0.270 58.362 58.100 -0.012 0.000 1.469 564 Y CB 0.508 38.955 38.460 -0.023 0.000 1.242 564 Y HN 0.337 nan 8.280 nan 0.000 0.540 565 E N 6.805 126.957 120.200 -0.080 0.000 1.936 565 E HA 0.145 4.495 4.350 -0.000 0.000 0.267 565 E C -1.291 175.357 176.600 0.079 0.000 1.076 565 E CA -0.580 55.837 56.400 0.028 0.000 0.870 565 E CB 0.492 30.175 29.700 -0.027 0.000 1.093 565 E HN 0.411 nan 8.360 nan 0.000 0.411 566 L N 5.594 126.995 121.223 0.297 0.000 2.283 566 L HA 0.328 4.668 4.340 -0.000 0.000 0.287 566 L C -2.560 174.441 176.870 0.218 0.000 1.073 566 L CA -2.264 52.766 54.840 0.316 0.000 0.822 566 L CB 0.394 42.636 42.059 0.304 0.000 1.186 566 L HN 0.176 nan 8.230 nan 0.000 0.436 567 P HA 0.074 nan 4.420 nan 0.000 0.276 567 P C 0.695 178.178 177.300 0.305 0.000 1.264 567 P CA -0.200 63.026 63.100 0.210 0.000 0.769 567 P CB 0.937 32.749 31.700 0.186 0.000 0.840 568 V N 0.953 120.992 119.914 0.208 0.000 2.992 568 V HA 0.171 4.291 4.120 -0.000 0.000 0.250 568 V C 0.656 176.783 176.094 0.055 0.000 1.090 568 V CA 0.850 63.215 62.300 0.110 0.000 1.101 568 V CB -0.202 31.514 31.823 -0.177 0.000 0.743 568 V HN 0.531 nan 8.190 nan 0.000 0.468 569 S N 1.010 116.781 115.700 0.119 0.000 2.626 569 S HA 0.751 5.221 4.470 -0.000 0.000 0.275 569 S C -0.949 173.760 174.600 0.181 0.000 1.175 569 S CA -0.722 57.547 58.200 0.115 0.000 0.982 569 S CB 1.163 64.407 63.200 0.075 0.000 1.093 569 S HN 0.594 nan 8.310 nan 0.000 0.472 570 M N 2.828 122.579 119.600 0.251 0.000 2.531 570 M HA 0.778 5.258 4.480 -0.000 0.000 0.286 570 M C -1.673 174.907 176.300 0.465 0.000 1.232 570 M CA -0.769 54.730 55.300 0.332 0.000 0.877 570 M CB 2.250 35.080 32.600 0.384 0.000 1.726 570 M HN 0.498 nan 8.290 nan 0.000 0.463 571 D N 0.695 121.360 120.400 0.442 0.000 2.671 571 D HA 0.635 5.275 4.640 -0.000 0.000 0.273 571 D C -2.039 174.478 176.300 0.362 0.000 1.264 571 D CA -0.405 53.935 54.000 0.568 0.000 0.788 571 D CB 3.131 44.313 40.800 0.636 0.000 1.324 571 D HN 0.846 nan 8.370 nan 0.000 0.424 572 I N 1.034 121.806 120.570 0.337 0.000 2.603 572 I HA 0.649 4.819 4.170 -0.000 0.000 0.300 572 I C -1.528 174.628 176.117 0.065 0.000 1.017 572 I CA -0.893 60.449 61.300 0.069 0.000 1.098 572 I CB 1.586 39.499 38.000 -0.144 0.000 1.279 572 I HN 0.290 nan 8.210 nan 0.000 0.437 573 F N 6.762 126.563 119.950 -0.249 0.000 2.536 573 F HA 0.502 5.029 4.527 -0.000 0.000 0.322 573 F C -0.446 175.310 175.800 -0.073 0.000 1.144 573 F CA -0.778 57.023 58.000 -0.331 0.000 0.924 573 F CB 1.163 39.544 39.000 -1.031 0.000 1.181 573 F HN 0.416 nan 8.300 nan 0.000 0.438 574 R N 4.159 124.515 120.500 -0.241 0.000 2.248 574 R HA 0.290 4.630 4.340 -0.000 0.000 0.337 574 R C 1.325 177.694 176.300 0.116 0.000 1.085 574 R CA 0.635 56.722 56.100 -0.021 0.000 0.934 574 R CB 0.714 31.058 30.300 0.073 0.000 1.034 574 R HN 0.988 nan 8.270 nan 0.000 0.465 575 G N 5.143 114.117 108.800 0.291 0.000 2.545 575 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.222 575 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.222 575 G C 1.281 176.411 174.900 0.383 0.000 1.126 575 G CA 1.135 46.566 45.100 0.551 0.000 0.754 575 G HN 0.804 nan 8.290 nan 0.000 0.583 576 R N -0.540 119.999 120.500 0.066 0.000 2.159 576 R HA -0.079 4.261 4.340 -0.000 0.000 0.237 576 R C 1.298 177.520 176.300 -0.128 0.000 1.131 576 R CA 1.351 57.410 56.100 -0.069 0.000 0.982 576 R CB -0.654 29.550 30.300 -0.160 0.000 0.868 576 R HN 0.494 nan 8.270 nan 0.000 0.453 577 Y N 0.734 121.184 120.300 0.251 0.000 2.537 577 Y HA 0.266 4.816 4.550 -0.000 0.000 0.303 577 Y C 2.254 178.280 175.900 0.210 0.000 1.176 577 Y CA -0.583 57.636 58.100 0.198 0.000 1.273 577 Y CB -0.005 38.615 38.460 0.266 0.000 1.110 577 Y HN 0.016 nan 8.280 nan 0.000 0.518 578 R N 1.205 121.948 120.500 0.405 0.000 2.096 578 R HA -0.202 4.138 4.340 -0.000 0.000 0.240 578 R C 1.592 177.893 176.300 0.001 0.000 1.139 578 R CA 1.966 58.218 56.100 0.253 0.000 0.952 578 R CB 0.120 30.417 30.300 -0.004 0.000 0.854 578 R HN 0.313 nan 8.270 nan 0.000 0.436 579 K N -1.240 119.147 120.400 -0.023 0.000 2.099 579 K HA -0.001 4.319 4.320 -0.000 0.000 0.203 579 K C 0.040 176.586 176.600 -0.090 0.000 1.047 579 K CA 0.738 56.984 56.287 -0.069 0.000 0.963 579 K CB 0.249 32.722 32.500 -0.045 0.000 0.759 579 K HN 0.049 nan 8.250 nan 0.000 0.451 580 D N -1.220 119.154 120.400 -0.044 0.000 2.855 580 D HA 0.129 4.769 4.640 -0.000 0.000 0.241 580 D C -0.019 176.331 176.300 0.084 0.000 1.277 580 D CA -0.529 53.452 54.000 -0.031 0.000 0.918 580 D CB 0.948 41.776 40.800 0.046 0.000 1.462 580 D HN -0.196 nan 8.370 nan 0.000 0.559 581 F N 1.997 122.063 119.950 0.193 0.000 2.216 581 F HA 0.000 4.527 4.527 -0.000 0.000 0.300 581 F C 2.387 178.169 175.800 -0.030 0.000 1.085 581 F CA 1.125 59.156 58.000 0.051 0.000 1.326 581 F CB -0.386 38.510 39.000 -0.172 0.000 1.027 581 F HN 0.496 nan 8.300 nan 0.000 0.497 582 A N -1.406 121.536 122.820 0.203 0.000 2.178 582 A HA 0.079 4.399 4.320 -0.000 0.000 0.211 582 A C 0.868 178.549 177.584 0.162 0.000 1.157 582 A CA 0.446 52.550 52.037 0.112 0.000 0.780 582 A CB -0.029 19.008 19.000 0.062 0.000 0.828 582 A HN -0.049 nan 8.150 nan 0.000 0.476 583 K N 1.360 121.885 120.400 0.208 0.000 2.626 583 K HA 0.320 4.640 4.320 -0.000 0.000 0.223 583 K C -3.219 173.519 176.600 0.229 0.000 0.992 583 K CA -1.905 54.495 56.287 0.187 0.000 1.024 583 K CB 1.782 34.348 32.500 0.111 0.000 1.225 583 K HN 0.157 nan 8.250 nan 0.000 0.498 584 P HA 0.201 nan 4.420 nan 0.000 0.272 584 P C -0.584 176.816 177.300 0.166 0.000 1.223 584 P CA -0.056 63.179 63.100 0.224 0.000 0.784 584 P CB 1.331 33.160 31.700 0.216 0.000 0.923 585 E N -0.146 120.058 120.200 0.007 0.000 2.366 585 E HA 0.546 4.896 4.350 -0.000 0.000 0.278 585 E C -0.750 175.496 176.600 -0.590 0.000 0.923 585 E CA -1.091 55.114 56.400 -0.325 0.000 0.761 585 E CB 2.465 32.057 29.700 -0.181 0.000 1.231 585 E HN 0.497 nan 8.360 nan 0.000 0.443 586 A N 2.330 124.492 122.820 -1.096 0.000 2.386 586 A HA 0.364 4.684 4.320 -0.000 0.000 0.246 586 A C -0.313 177.123 177.584 -0.248 0.000 1.089 586 A CA -0.018 51.547 52.037 -0.787 0.000 0.790 586 A CB 0.215 18.786 19.000 -0.715 0.000 1.042 586 A HN 0.502 nan 8.150 nan 0.000 0.497 587 L N 0.655 121.841 121.223 -0.061 0.000 2.307 587 L HA 0.311 4.651 4.340 -0.000 0.000 0.282 587 L C 0.264 177.146 176.870 0.019 0.000 1.051 587 L CA -0.746 54.114 54.840 0.034 0.000 0.804 587 L CB 1.374 43.530 42.059 0.162 0.000 1.197 587 L HN 0.806 nan 8.230 nan 0.000 0.431 588 Q N 4.902 124.713 119.800 0.018 0.000 2.263 588 Q HA 0.179 4.519 4.340 -0.000 0.000 0.270 588 Q C -2.340 173.688 176.000 0.047 0.000 1.104 588 Q CA -1.282 54.530 55.803 0.015 0.000 0.909 588 Q CB 0.634 29.375 28.738 0.005 0.000 1.214 588 Q HN 0.166 nan 8.270 nan 0.000 0.400 589 P HA -0.032 nan 4.420 nan 0.000 0.266 589 P C -0.690 176.643 177.300 0.054 0.000 1.195 589 P CA 0.321 63.454 63.100 0.055 0.000 0.768 589 P CB 0.515 32.240 31.700 0.040 0.000 0.838 590 D N -1.433 119.008 120.400 0.069 0.000 3.059 590 D HA -0.200 4.440 4.640 -0.000 0.000 0.220 590 D C 0.040 176.376 176.300 0.060 0.000 1.169 590 D CA 1.531 55.570 54.000 0.064 0.000 0.902 590 D CB -1.381 39.446 40.800 0.045 0.000 1.116 590 D HN 0.523 nan 8.370 nan 0.000 0.417 591 A N 0.205 123.065 122.820 0.067 0.000 2.305 591 A HA 0.562 4.882 4.320 -0.000 0.000 0.322 591 A C 0.482 178.108 177.584 0.071 0.000 1.187 591 A CA -0.253 51.814 52.037 0.050 0.000 0.825 591 A CB 1.002 20.021 19.000 0.032 0.000 1.164 591 A HN -0.021 nan 8.150 nan 0.000 0.498 592 T N 3.762 118.344 114.554 0.046 0.000 2.727 592 T HA 0.438 4.788 4.350 -0.000 0.000 0.295 592 T C -0.081 174.663 174.700 0.073 0.000 0.915 592 T CA 0.428 62.567 62.100 0.065 0.000 1.066 592 T CB -0.545 68.321 68.868 -0.002 0.000 0.891 592 T HN 0.413 nan 8.240 nan 0.000 0.516 593 L N 2.778 124.046 121.223 0.075 0.000 2.334 593 L HA 0.437 4.777 4.340 -0.000 0.000 0.273 593 L C 0.501 177.259 176.870 -0.186 0.000 1.013 593 L CA -1.074 53.725 54.840 -0.069 0.000 0.816 593 L CB 1.628 43.579 42.059 -0.181 0.000 1.278 593 L HN 0.642 nan 8.230 nan 0.000 0.431 594 H N 2.213 121.019 119.070 -0.440 0.000 2.652 594 H HA 0.311 4.866 4.556 -0.000 0.000 0.298 594 H C -1.526 173.386 175.328 -0.694 0.000 1.076 594 H CA -0.497 55.151 56.048 -0.667 0.000 1.360 594 H CB 0.563 30.012 29.762 -0.522 0.000 1.421 594 H HN 0.414 nan 8.280 nan 0.000 0.464 595 Y N 3.370 123.326 120.300 -0.573 0.000 2.352 595 Y HA 0.205 4.755 4.550 -0.000 0.000 0.339 595 Y C -0.250 175.316 175.900 -0.556 0.000 0.992 595 Y CA -0.796 56.981 58.100 -0.539 0.000 1.100 595 Y CB 1.412 39.617 38.460 -0.425 0.000 1.192 595 Y HN 0.684 nan 8.280 nan 0.000 0.458 596 H N 4.525 123.332 119.070 -0.439 0.000 3.013 596 H HA 0.554 5.110 4.556 -0.000 0.000 0.326 596 H C -1.700 173.557 175.328 -0.119 0.000 0.973 596 H CA -1.105 54.717 56.048 -0.377 0.000 1.369 596 H CB 0.582 30.080 29.762 -0.440 0.000 1.598 596 H HN 0.517 nan 8.280 nan 0.000 0.518 597 F N 1.137 120.832 119.950 -0.426 0.000 2.641 597 F HA 0.484 5.011 4.527 -0.000 0.000 0.308 597 F C -0.776 174.972 175.800 -0.087 0.000 1.105 597 F CA -1.136 56.738 58.000 -0.211 0.000 0.964 597 F CB 0.862 39.648 39.000 -0.357 0.000 1.294 597 F HN 0.390 nan 8.300 nan 0.000 0.442 598 T N 1.212 115.949 114.554 0.304 0.000 2.907 598 T HA 0.676 5.026 4.350 -0.000 0.000 0.298 598 T C -0.368 174.577 174.700 0.408 0.000 1.017 598 T CA -0.537 61.708 62.100 0.241 0.000 1.118 598 T CB 1.093 70.119 68.868 0.263 0.000 0.948 598 T HN 0.715 nan 8.240 nan 0.000 0.531 599 L N 2.413 123.770 121.223 0.222 0.000 2.304 599 L HA 0.542 4.882 4.340 -0.000 0.000 0.268 599 L C -2.214 174.769 176.870 0.188 0.000 1.010 599 L CA -3.130 51.867 54.840 0.262 0.000 0.813 599 L CB 1.444 43.590 42.059 0.144 0.000 1.315 599 L HN 0.414 nan 8.230 nan 0.000 0.445 600 P HA -0.020 nan 4.420 nan 0.000 0.267 600 P C -0.783 176.536 177.300 0.033 0.000 1.201 600 P CA -0.074 63.086 63.100 0.101 0.000 0.775 600 P CB 0.413 32.165 31.700 0.087 0.000 0.854 601 A N 2.248 125.069 122.820 0.001 0.000 2.425 601 A HA 0.461 4.781 4.320 -0.000 0.000 0.242 601 A C 0.099 177.653 177.584 -0.050 0.000 1.077 601 A CA -0.025 52.021 52.037 0.015 0.000 0.781 601 A CB -0.186 18.866 19.000 0.087 0.000 1.020 601 A HN 0.459 nan 8.150 nan 0.000 0.494 602 V N -0.553 119.361 119.914 0.000 0.000 2.876 602 V HA 0.829 4.949 4.120 -0.000 0.000 0.312 602 V C -0.714 175.391 176.094 0.018 0.000 1.085 602 V CA -0.866 61.406 62.300 -0.047 0.000 0.945 602 V CB 2.092 33.916 31.823 0.002 0.000 1.017 602 V HN 0.881 nan 8.190 nan 0.000 0.428 603 N N 1.286 119.960 118.700 -0.044 0.000 2.710 603 N HA 0.459 5.199 4.740 -0.000 0.000 0.244 603 N C -1.240 174.251 175.510 -0.032 0.000 1.321 603 N CA -0.157 52.889 53.050 -0.006 0.000 0.758 603 N CB 0.624 39.075 38.487 -0.059 0.000 1.284 603 N HN 1.133 nan 8.380 nan 0.000 0.530 604 H N 0.098 119.076 119.070 -0.154 0.000 2.977 604 H HA 0.770 5.326 4.556 -0.000 0.000 0.350 604 H C -1.469 173.714 175.328 -0.242 0.000 1.238 604 H CA -0.646 55.248 56.048 -0.256 0.000 1.124 604 H CB 1.706 31.240 29.762 -0.380 0.000 1.866 604 H HN -0.024 nan 8.280 nan 0.000 0.550 605 V N 2.977 122.330 119.914 -0.936 0.000 2.569 605 V HA 0.266 4.386 4.120 -0.000 0.000 0.301 605 V C -1.024 174.609 176.094 -0.768 0.000 1.044 605 V CA -0.649 61.310 62.300 -0.570 0.000 0.874 605 V CB 1.196 32.801 31.823 -0.362 0.000 1.002 605 V HN 0.573 nan 8.190 nan 0.000 0.424 606 F N 3.775 123.608 119.950 -0.196 0.000 2.368 606 F HA 0.675 5.202 4.527 -0.000 0.000 0.362 606 F C 0.952 176.630 175.800 -0.203 0.000 1.137 606 F CA -0.149 57.777 58.000 -0.123 0.000 1.161 606 F CB 0.910 39.962 39.000 0.087 0.000 1.265 606 F HN 0.595 nan 8.300 nan 0.000 0.530 607 A N 4.103 126.709 122.820 -0.356 0.000 2.272 607 A HA 0.416 4.736 4.320 -0.000 0.000 0.275 607 A C 0.318 177.927 177.584 0.043 0.000 1.096 607 A CA -0.849 51.063 52.037 -0.209 0.000 0.822 607 A CB 0.420 19.235 19.000 -0.308 0.000 1.088 607 A HN 0.686 nan 8.150 nan 0.000 0.495 608 K N -0.361 120.089 120.400 0.084 0.000 2.489 608 K HA 0.301 4.621 4.320 -0.000 0.000 0.278 608 K C 1.158 177.894 176.600 0.226 0.000 1.000 608 K CA 1.184 57.549 56.287 0.131 0.000 1.012 608 K CB 0.065 32.614 32.500 0.083 0.000 0.903 608 K HN 1.392 nan 8.250 nan 0.000 0.485 609 G N 1.565 110.477 108.800 0.188 0.000 2.253 609 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.251 609 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.251 609 G C 0.136 175.131 174.900 0.159 0.000 0.998 609 G CA -0.145 45.047 45.100 0.154 0.000 0.621 609 G HN 0.768 nan 8.290 nan 0.000 0.524 610 H N 0.287 119.422 119.070 0.108 0.000 2.505 610 H HA 0.661 5.216 4.556 -0.000 0.000 0.358 610 H C 0.550 175.960 175.328 0.136 0.000 1.304 610 H CA -0.172 55.965 56.048 0.148 0.000 1.393 610 H CB 0.810 30.704 29.762 0.221 0.000 1.591 610 H HN 0.244 nan 8.280 nan 0.000 0.595 611 R N 0.345 121.004 120.500 0.265 0.000 2.837 611 R HA 0.454 4.794 4.340 -0.000 0.000 0.271 611 R C -0.722 175.662 176.300 0.141 0.000 0.993 611 R CA -0.830 55.360 56.100 0.150 0.000 0.931 611 R CB 1.958 32.311 30.300 0.089 0.000 1.206 611 R HN 0.399 nan 8.270 nan 0.000 0.474 612 I N 2.205 122.751 120.570 -0.039 0.000 2.437 612 I HA 0.432 4.602 4.170 -0.000 0.000 0.298 612 I C -0.016 176.058 176.117 -0.073 0.000 0.984 612 I CA -0.462 60.707 61.300 -0.219 0.000 1.214 612 I CB 1.657 39.330 38.000 -0.546 0.000 1.365 612 I HN 0.437 nan 8.210 nan 0.000 0.469 613 M N 6.028 125.623 119.600 -0.009 0.000 2.593 613 M HA 0.722 5.202 4.480 -0.000 0.000 0.290 613 M C -2.097 174.226 176.300 0.039 0.000 1.244 613 M CA -0.585 54.735 55.300 0.034 0.000 0.857 613 M CB 2.478 35.120 32.600 0.070 0.000 1.738 613 M HN 0.314 nan 8.290 nan 0.000 0.461 614 V N 2.932 122.889 119.914 0.072 0.000 2.623 614 V HA 0.451 4.571 4.120 -0.000 0.000 0.304 614 V C -1.183 174.997 176.094 0.143 0.000 1.054 614 V CA -0.553 61.792 62.300 0.075 0.000 0.882 614 V CB 2.132 33.961 31.823 0.010 0.000 1.002 614 V HN 0.891 nan 8.190 nan 0.000 0.424 615 Q N 4.193 124.052 119.800 0.098 0.000 2.337 615 Q HA 0.735 5.075 4.340 -0.000 0.000 0.266 615 Q C -1.376 174.654 176.000 0.050 0.000 1.023 615 Q CA -0.586 55.264 55.803 0.079 0.000 0.829 615 Q CB 3.141 31.902 28.738 0.040 0.000 1.306 615 Q HN 0.643 nan 8.270 nan 0.000 0.449 616 I N 2.728 123.323 120.570 0.043 0.000 2.499 616 I HA 0.326 4.496 4.170 -0.000 0.000 0.288 616 I C -0.463 175.586 176.117 -0.113 0.000 1.048 616 I CA -0.517 60.808 61.300 0.042 0.000 1.062 616 I CB 1.810 39.910 38.000 0.167 0.000 1.238 616 I HN 0.614 nan 8.210 nan 0.000 0.426 617 Q N 3.044 122.806 119.800 -0.062 0.000 2.693 617 Q HA 0.568 4.908 4.340 -0.000 0.000 0.306 617 Q C -1.224 174.832 176.000 0.093 0.000 0.969 617 Q CA -0.896 54.842 55.803 -0.108 0.000 0.757 617 Q CB 2.067 30.724 28.738 -0.136 0.000 1.494 617 Q HN 0.410 nan 8.270 nan 0.000 0.459 618 S N 0.135 115.915 115.700 0.132 0.000 2.749 618 S HA 0.285 4.755 4.470 -0.000 0.000 0.246 618 S C -0.692 173.915 174.600 0.011 0.000 1.023 618 S CA 0.226 58.427 58.200 0.002 0.000 1.012 618 S CB 0.414 63.561 63.200 -0.088 0.000 0.942 618 S HN 0.626 nan 8.310 nan 0.000 0.531 619 S N -0.170 115.581 115.700 0.085 0.000 2.596 619 S HA 0.766 5.236 4.470 -0.000 0.000 0.270 619 S C -2.066 172.750 174.600 0.360 0.000 1.155 619 S CA -0.698 57.620 58.200 0.196 0.000 0.827 619 S CB 1.669 64.978 63.200 0.181 0.000 1.130 619 S HN 0.243 nan 8.310 nan 0.000 0.467 620 W N 1.853 123.303 121.300 0.250 0.000 1.768 620 W HA 0.473 5.133 4.660 -0.000 0.000 0.306 620 W C -2.144 174.540 176.519 0.275 0.000 1.025 620 W CA -1.646 55.872 57.345 0.288 0.000 0.993 620 W CB 0.636 30.264 29.460 0.279 0.000 0.966 620 W HN 0.685 nan 8.180 nan 0.000 0.285 621 F N 5.361 125.493 119.950 0.303 0.000 2.425 621 F HA 0.641 5.168 4.527 -0.000 0.000 0.331 621 F C -1.198 174.741 175.800 0.230 0.000 1.085 621 F CA -2.512 55.560 58.000 0.120 0.000 1.028 621 F CB 1.765 40.793 39.000 0.047 0.000 1.177 621 F HN -0.080 nan 8.300 nan 0.000 0.487 622 P HA -0.019 nan 4.420 nan 0.000 0.255 622 P C 1.509 178.246 177.300 -0.938 0.000 1.248 622 P CA 0.339 62.616 63.100 -1.372 0.000 0.807 622 P CB 0.256 31.260 31.700 -1.160 0.000 1.150 623 L N 0.073 120.717 121.223 -0.965 0.000 1.997 623 L HA -0.099 4.241 4.340 -0.000 0.000 0.216 623 L C 0.414 176.676 176.870 -1.013 0.000 1.074 623 L CA 1.816 55.961 54.840 -1.159 0.000 0.763 623 L CB -1.442 39.420 42.059 -1.996 0.000 0.890 623 L HN -0.114 nan 8.230 nan 0.000 0.434 624 Y N 0.659 120.682 120.300 -0.463 0.000 2.342 624 Y HA 0.315 4.864 4.550 -0.000 0.000 0.334 624 Y C 0.206 176.086 175.900 -0.033 0.000 1.067 624 Y CA -1.801 56.170 58.100 -0.215 0.000 1.128 624 Y CB 0.366 38.817 38.460 -0.015 0.000 1.200 624 Y HN 0.257 nan 8.280 nan 0.000 0.464 625 D N 2.050 122.570 120.400 0.199 0.000 2.400 625 D HA 0.049 4.689 4.640 -0.000 0.000 0.238 625 D C -0.397 176.124 176.300 0.369 0.000 1.157 625 D CA -0.387 53.813 54.000 0.333 0.000 0.889 625 D CB 0.666 41.717 40.800 0.418 0.000 1.199 625 D HN 0.472 nan 8.370 nan 0.000 0.436 626 R N 1.064 121.805 120.500 0.403 0.000 2.438 626 R HA 0.159 4.499 4.340 -0.000 0.000 0.287 626 R C 0.536 176.984 176.300 0.247 0.000 1.077 626 R CA -0.609 55.662 56.100 0.285 0.000 1.034 626 R CB 0.338 30.743 30.300 0.176 0.000 0.993 626 R HN 0.462 nan 8.270 nan 0.000 0.459 627 N N 3.505 122.286 118.700 0.135 0.000 2.458 627 N HA 0.071 4.811 4.740 -0.000 0.000 0.270 627 N C -1.889 173.637 175.510 0.027 0.000 1.102 627 N CA -1.846 51.227 53.050 0.039 0.000 0.967 627 N CB 1.390 39.856 38.487 -0.035 0.000 1.078 627 N HN 0.268 nan 8.380 nan 0.000 0.471 628 P HA -0.068 nan 4.420 nan 0.000 0.225 628 P C -0.343 176.888 177.300 -0.115 0.000 1.148 628 P CA 0.934 63.864 63.100 -0.283 0.000 0.779 628 P CB 0.216 31.555 31.700 -0.602 0.000 0.780 629 Q N -2.834 116.920 119.800 -0.077 0.000 2.493 629 Q HA -0.203 4.137 4.340 -0.000 0.000 0.260 629 Q C 0.087 176.075 176.000 -0.020 0.000 0.905 629 Q CA 0.847 56.623 55.803 -0.044 0.000 1.140 629 Q CB -1.768 26.950 28.738 -0.033 0.000 1.435 629 Q HN 0.317 nan 8.270 nan 0.000 0.581 630 K N 0.264 120.642 120.400 -0.037 0.000 2.513 630 K HA 0.414 4.734 4.320 -0.000 0.000 0.251 630 K C -1.392 175.217 176.600 0.014 0.000 0.939 630 K CA -0.778 55.508 56.287 -0.001 0.000 0.793 630 K CB 0.988 33.462 32.500 -0.043 0.000 1.241 630 K HN 0.016 nan 8.250 nan 0.000 0.431 631 F N 6.048 125.966 119.950 -0.054 0.000 2.462 631 F HA 0.207 4.734 4.527 -0.000 0.000 0.360 631 F C -0.350 175.418 175.800 -0.053 0.000 1.134 631 F CA -0.115 57.852 58.000 -0.055 0.000 1.148 631 F CB 0.427 39.405 39.000 -0.037 0.000 1.147 631 F HN 0.211 nan 8.300 nan 0.000 0.550 632 V N 5.022 124.612 119.914 -0.540 0.000 2.769 632 V HA 0.517 4.637 4.120 -0.000 0.000 0.312 632 V C -2.031 173.706 176.094 -0.594 0.000 1.058 632 V CA -1.946 60.114 62.300 -0.400 0.000 0.952 632 V CB 1.382 33.053 31.823 -0.253 0.000 1.019 632 V HN 0.517 nan 8.190 nan 0.000 0.445 633 P HA -0.083 nan 4.420 nan 0.000 0.216 633 P C 0.184 177.343 177.300 -0.236 0.000 1.153 633 P CA 1.482 64.425 63.100 -0.263 0.000 0.858 633 P CB 0.098 31.738 31.700 -0.100 0.000 0.789 634 N N -1.318 117.272 118.700 -0.184 0.000 2.480 634 N HA 0.185 4.925 4.740 -0.000 0.000 0.289 634 N C 0.576 176.015 175.510 -0.118 0.000 1.073 634 N CA -0.419 52.553 53.050 -0.130 0.000 0.885 634 N CB 0.854 39.293 38.487 -0.080 0.000 1.421 634 N HN -0.219 nan 8.380 nan 0.000 0.503 635 I N 2.260 122.725 120.570 -0.175 0.000 2.361 635 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 635 I C 1.397 177.510 176.117 -0.007 0.000 1.133 635 I CA 1.034 62.251 61.300 -0.139 0.000 1.413 635 I CB -0.151 37.755 38.000 -0.157 0.000 1.073 635 I HN 0.492 nan 8.210 nan 0.000 0.424 636 F N 1.071 121.076 119.950 0.092 0.000 2.154 636 F HA -0.269 4.258 4.527 -0.000 0.000 0.301 636 F C 1.658 177.593 175.800 0.225 0.000 1.087 636 F CA 0.985 59.096 58.000 0.185 0.000 1.274 636 F CB -0.206 38.877 39.000 0.137 0.000 1.009 636 F HN 0.142 nan 8.300 nan 0.000 0.485 637 D N 0.276 120.864 120.400 0.312 0.000 2.358 637 D HA 0.192 4.832 4.640 -0.000 0.000 0.224 637 D C 0.629 177.021 176.300 0.154 0.000 1.123 637 D CA 0.144 54.291 54.000 0.246 0.000 0.833 637 D CB -0.290 40.626 40.800 0.194 0.000 0.946 637 D HN 0.048 nan 8.370 nan 0.000 0.505 638 A N 0.896 123.793 122.820 0.129 0.000 2.531 638 A HA 0.143 4.463 4.320 -0.000 0.000 0.236 638 A C 0.630 178.306 177.584 0.154 0.000 1.062 638 A CA 0.294 52.351 52.037 0.032 0.000 0.760 638 A CB 0.474 19.395 19.000 -0.133 0.000 0.995 638 A HN -0.007 nan 8.150 nan 0.000 0.501 639 K N 2.326 122.786 120.400 0.100 0.000 2.185 639 K HA 0.404 4.724 4.320 -0.000 0.000 0.240 639 K C -2.012 174.750 176.600 0.270 0.000 0.983 639 K CA -1.876 54.513 56.287 0.169 0.000 0.873 639 K CB 1.052 33.608 32.500 0.094 0.000 1.118 639 K HN 0.279 nan 8.250 nan 0.000 0.441 640 P HA -0.244 nan 4.420 nan 0.000 0.216 640 P C 0.732 178.171 177.300 0.233 0.000 1.150 640 P CA 1.399 64.644 63.100 0.241 0.000 0.843 640 P CB 0.112 31.879 31.700 0.113 0.000 0.787 641 A N -0.505 122.399 122.820 0.140 0.000 2.066 641 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 641 A C 1.757 179.385 177.584 0.072 0.000 1.157 641 A CA 1.512 53.606 52.037 0.095 0.000 0.670 641 A CB -1.075 17.961 19.000 0.060 0.000 0.804 641 A HN 0.094 nan 8.150 nan 0.000 0.453 642 D N -1.242 119.178 120.400 0.034 0.000 2.312 642 D HA -0.027 4.613 4.640 -0.000 0.000 0.211 642 D C -0.365 175.829 176.300 -0.176 0.000 0.964 642 D CA 0.583 54.521 54.000 -0.104 0.000 0.877 642 D CB -0.242 40.420 40.800 -0.229 0.000 0.924 642 D HN 0.556 nan 8.370 nan 0.000 0.515 643 Y N 1.243 121.550 120.300 0.010 0.000 2.531 643 Y HA 0.167 4.717 4.550 -0.000 0.000 0.347 643 Y C 0.717 176.618 175.900 0.001 0.000 1.024 643 Y CA 0.079 58.179 58.100 0.000 0.000 1.306 643 Y CB 0.400 38.854 38.460 -0.010 0.000 1.149 643 Y HN -0.338 nan 8.280 nan 0.000 0.527 644 T N 3.026 117.633 114.554 0.089 0.000 2.829 644 T HA 0.451 4.801 4.350 -0.000 0.000 0.280 644 T C -0.185 174.550 174.700 0.058 0.000 0.999 644 T CA -0.863 61.275 62.100 0.062 0.000 0.983 644 T CB 1.430 70.315 68.868 0.029 0.000 0.968 644 T HN 0.198 nan 8.240 nan 0.000 0.446 645 V N 2.035 121.983 119.914 0.057 0.000 2.811 645 V HA 0.620 4.740 4.120 -0.000 0.000 0.302 645 V C 0.470 176.583 176.094 0.032 0.000 1.063 645 V CA -0.196 62.135 62.300 0.052 0.000 1.088 645 V CB 0.728 32.587 31.823 0.059 0.000 0.982 645 V HN 1.171 nan 8.190 nan 0.000 0.485 646 A N 3.021 125.852 122.820 0.017 0.000 2.574 646 A HA 0.719 5.039 4.320 -0.000 0.000 0.297 646 A C -0.437 177.130 177.584 -0.028 0.000 1.062 646 A CA -0.586 51.449 52.037 -0.003 0.000 0.686 646 A CB 1.787 20.775 19.000 -0.020 0.000 1.285 646 A HN 0.664 nan 8.150 nan 0.000 0.403 647 T N 3.147 117.687 114.554 -0.024 0.000 2.744 647 T HA 0.491 4.841 4.350 -0.000 0.000 0.291 647 T C -0.523 174.132 174.700 -0.075 0.000 0.957 647 T CA -0.298 61.774 62.100 -0.047 0.000 1.002 647 T CB 0.702 69.569 68.868 -0.001 0.000 0.919 647 T HN 0.549 nan 8.240 nan 0.000 0.468 648 Q N 1.933 121.593 119.800 -0.232 0.000 2.282 648 Q HA 0.585 4.925 4.340 -0.000 0.000 0.260 648 Q C -0.697 175.237 176.000 -0.111 0.000 0.964 648 Q CA -0.598 55.086 55.803 -0.198 0.000 0.880 648 Q CB 2.054 30.416 28.738 -0.626 0.000 1.286 648 Q HN 0.526 nan 8.270 nan 0.000 0.445 649 S N 2.129 117.880 115.700 0.085 0.000 2.605 649 S HA 0.527 4.997 4.470 -0.000 0.000 0.308 649 S C -0.363 174.328 174.600 0.152 0.000 1.113 649 S CA -0.583 57.690 58.200 0.122 0.000 1.049 649 S CB 0.654 63.917 63.200 0.105 0.000 1.001 649 S HN 0.373 nan 8.310 nan 0.000 0.480 650 I N 3.048 123.741 120.570 0.204 0.000 2.315 650 I HA 0.309 4.479 4.170 -0.000 0.000 0.291 650 I C 0.287 176.499 176.117 0.158 0.000 1.006 650 I CA -0.279 61.128 61.300 0.179 0.000 1.265 650 I CB 0.493 38.641 38.000 0.246 0.000 1.387 650 I HN 0.625 nan 8.210 nan 0.000 0.475 651 H N 5.226 124.319 119.070 0.038 0.000 2.525 651 H HA 0.563 5.119 4.556 -0.000 0.000 0.339 651 H C -0.765 174.535 175.328 -0.048 0.000 1.109 651 H CA -0.208 55.799 56.048 -0.069 0.000 1.352 651 H CB 0.581 30.301 29.762 -0.069 0.000 1.461 651 H HN 0.746 nan 8.280 nan 0.000 0.533 652 H N 1.698 120.637 119.070 -0.219 0.000 2.851 652 H HA 0.615 5.171 4.556 -0.000 0.000 0.372 652 H C 0.184 175.412 175.328 -0.167 0.000 1.158 652 H CA -0.732 55.233 56.048 -0.138 0.000 1.159 652 H CB 1.232 30.903 29.762 -0.151 0.000 1.757 652 H HN 1.007 nan 8.280 nan 0.000 0.546 653 G N 0.150 108.943 108.800 -0.011 0.000 2.795 653 G HA2 0.317 4.277 3.960 -0.000 0.000 0.664 653 G HA3 0.317 4.277 3.960 -0.000 0.000 0.664 653 G C 0.537 175.437 174.900 0.001 0.000 1.381 653 G CA 0.340 45.406 45.100 -0.056 0.000 0.853 653 G HN 2.127 nan 8.290 nan 0.000 0.545 654 G N -0.411 108.442 108.800 0.087 0.000 2.574 654 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.282 654 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.282 654 G C 1.008 175.935 174.900 0.046 0.000 1.257 654 G CA 1.239 46.383 45.100 0.073 0.000 0.956 654 G HN 1.615 nan 8.290 nan 0.000 0.560 655 K N 0.958 121.292 120.400 -0.110 0.000 2.432 655 K HA 0.086 4.406 4.320 -0.000 0.000 0.196 655 K C 1.101 177.376 176.600 -0.542 0.000 1.038 655 K CA 1.261 57.416 56.287 -0.220 0.000 0.986 655 K CB 0.170 32.548 32.500 -0.202 0.000 0.782 655 K HN 0.559 nan 8.250 nan 0.000 0.485 656 E N 0.870 120.672 120.200 -0.663 0.000 3.105 656 E HA 0.183 4.533 4.350 -0.000 0.000 0.219 656 E C -1.068 175.104 176.600 -0.714 0.000 1.064 656 E CA -0.381 55.210 56.400 -1.348 0.000 1.342 656 E CB 1.138 30.203 29.700 -1.058 0.000 1.295 656 E HN 0.142 nan 8.360 nan 0.000 0.438 657 A N 1.530 124.075 122.820 -0.458 0.000 2.666 657 A HA 0.131 4.451 4.320 -0.000 0.000 0.301 657 A C 0.527 178.210 177.584 0.165 0.000 1.470 657 A CA -0.137 51.836 52.037 -0.107 0.000 1.159 657 A CB -0.373 18.432 19.000 -0.325 0.000 1.116 657 A HN 0.107 nan 8.150 nan 0.000 0.548 658 T N 2.442 117.134 114.554 0.230 0.000 2.946 658 T HA 0.391 4.741 4.350 -0.000 0.000 0.311 658 T C 0.680 175.403 174.700 0.039 0.000 1.063 658 T CA 1.079 63.306 62.100 0.211 0.000 1.139 658 T CB 0.157 69.076 68.868 0.086 0.000 0.994 658 T HN 1.281 nan 8.240 nan 0.000 0.547 659 S N 1.803 117.466 115.700 -0.063 0.000 2.615 659 S HA 0.593 5.063 4.470 -0.000 0.000 0.268 659 S C -1.701 172.755 174.600 -0.239 0.000 1.146 659 S CA -1.105 56.958 58.200 -0.228 0.000 0.818 659 S CB 1.132 64.055 63.200 -0.462 0.000 1.111 659 S HN 0.422 nan 8.310 nan 0.000 0.465 660 I N 2.193 122.601 120.570 -0.270 0.000 2.354 660 I HA 0.318 4.488 4.170 -0.000 0.000 0.286 660 I C -0.509 175.479 176.117 -0.215 0.000 1.007 660 I CA -0.656 60.504 61.300 -0.232 0.000 1.167 660 I CB 1.123 39.011 38.000 -0.187 0.000 1.320 660 I HN 0.660 nan 8.210 nan 0.000 0.458 661 L N 7.029 128.137 121.223 -0.191 0.000 2.485 661 L HA 0.238 4.578 4.340 -0.000 0.000 0.279 661 L C 0.090 176.907 176.870 -0.088 0.000 1.124 661 L CA -0.028 54.731 54.840 -0.135 0.000 0.888 661 L CB -0.096 41.900 42.059 -0.105 0.000 1.217 661 L HN 0.344 nan 8.230 nan 0.000 0.464 662 L N 6.605 127.802 121.223 -0.043 0.000 2.312 662 L HA 0.351 4.691 4.340 -0.000 0.000 0.281 662 L C -1.756 175.123 176.870 0.015 0.000 1.070 662 L CA -1.726 53.121 54.840 0.012 0.000 0.805 662 L CB 1.456 43.565 42.059 0.083 0.000 1.174 662 L HN 0.364 nan 8.230 nan 0.000 0.434 663 P HA 0.084 nan 4.420 nan 0.000 0.231 663 P C -0.355 176.946 177.300 0.002 0.000 1.811 663 P CA -0.140 62.943 63.100 -0.029 0.000 1.051 663 P CB 0.130 31.789 31.700 -0.068 0.000 1.951 664 V N 3.571 123.491 119.914 0.011 0.000 2.572 664 V HA 0.144 4.264 4.120 -0.000 0.000 0.291 664 V C 1.069 177.147 176.094 -0.026 0.000 1.039 664 V CA 0.011 62.315 62.300 0.007 0.000 1.055 664 V CB 1.186 32.988 31.823 -0.034 0.000 0.969 664 V HN 0.326 nan 8.190 nan 0.000 0.482 665 V N 2.508 122.414 119.914 -0.014 0.000 2.914 665 V HA 0.692 4.812 4.120 -0.000 0.000 0.314 665 V C -0.388 175.699 176.094 -0.012 0.000 1.084 665 V CA -1.223 61.065 62.300 -0.021 0.000 0.963 665 V CB 1.862 33.675 31.823 -0.016 0.000 1.025 665 V HN 0.737 nan 8.190 nan 0.000 0.432 666 K N 0.000 120.393 120.400 -0.011 0.000 2.780 666 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 666 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 666 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543