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 1t9d_1_A DATA FIRST_RESID 85 DATA SEQUENCE MDTSFVGLTG GQIFNEMMSR QNVDTVFGYP GGAILPVYDA IHNSDKFNFV DATA SEQUENCE LPKHEQGAGH MAEGYARASG KPGVVLVTSG PGATNVVTPM ADAFADGIPM DATA SEQUENCE VVFTGQVPTS AIGTDAFQEA DVVGISRSCT KWNVMVKSVE ELPLRINEAF DATA SEQUENCE EIATSGRPGP VLVDLPKDVT AAILRNPIPT KTTLPXXXXX XXTSRAQDEF DATA SEQUENCE VMQSINKAAD LINLAKKPVL YVGAGILNHA DGPRLLKELS DRAQIPVTTT DATA SEQUENCE LQGLGSFDQE DPKSLDMLGM HGCATANLAV QNADLIIAVG ARFDDRVTGN DATA SEQUENCE ISKFAPEARR AAAEGRGGII HFEVSPKNIN KVVQTQIAVE GDATTNLGKM DATA SEQUENCE MSKIFPVKER SEWFAQINKW KKEYPYAYME ETPGSKIKPQ TVIKKLSKVA DATA SEQUENCE NDTGRHVIVT TGVGQHQMWA AQHWTWRNPH TFITSGGLGT MGYGLPAAIG DATA SEQUENCE AQVAKPESLV IDIDGDASFN MTLTELSSAV QAGTPVKILI LNNEEQGMVT DATA SEQUENCE QWQSLFYEHR YSHTHQLNPD FIKLAEAMGL KGLRVKKQEE LDAKLKEFVS DATA SEQUENCE TKGPVLLEVE VDKKVPVLPM VAGGSGLDEF INFDPEVERQ QTELRHKRTG DATA SEQUENCE GKH 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 85 M HA 0.000 nan 4.480 nan 0.000 0.227 85 M C 0.000 176.276 176.300 -0.040 0.000 1.140 85 M CA 0.000 55.287 55.300 -0.022 0.000 0.988 85 M CB 0.000 32.593 32.600 -0.012 0.000 1.302 86 D N 0.554 120.923 120.400 -0.052 0.000 2.629 86 D HA 0.663 5.303 4.640 0.000 0.000 0.250 86 D C 0.325 176.582 176.300 -0.071 0.000 1.126 86 D CA 0.081 54.027 54.000 -0.090 0.000 0.852 86 D CB 1.598 42.304 40.800 -0.157 0.000 1.335 86 D HN 0.698 nan 8.370 nan 0.000 0.518 87 T N -0.819 113.698 114.554 -0.061 0.000 3.044 87 T HA 0.051 4.401 4.350 0.000 0.000 0.260 87 T C 1.533 176.228 174.700 -0.009 0.000 1.019 87 T CA 0.415 62.503 62.100 -0.019 0.000 0.921 87 T CB -0.175 68.691 68.868 -0.005 0.000 1.053 87 T HN 0.225 nan 8.240 nan 0.000 0.533 88 S N 0.741 116.396 115.700 -0.075 0.000 2.469 88 S HA 0.055 4.525 4.470 0.000 0.000 0.238 88 S C 1.379 176.070 174.600 0.152 0.000 0.998 88 S CA 0.331 58.508 58.200 -0.039 0.000 0.957 88 S CB -1.067 62.042 63.200 -0.152 0.000 0.764 88 S HN 0.649 nan 8.310 nan 0.000 0.514 89 F N 1.180 121.134 119.950 0.007 0.000 2.749 89 F HA 0.294 4.821 4.527 0.000 0.000 0.300 89 F C 0.444 176.251 175.800 0.013 0.000 1.103 89 F CA -0.727 57.279 58.000 0.010 0.000 1.342 89 F CB 0.495 39.504 39.000 0.015 0.000 1.098 89 F HN -0.008 nan 8.300 nan 0.000 0.586 90 V N 1.333 121.360 119.914 0.189 0.000 2.557 90 V HA 0.113 4.233 4.120 0.000 0.000 0.301 90 V C 1.094 177.239 176.094 0.086 0.000 1.026 90 V CA 1.575 63.941 62.300 0.111 0.000 1.137 90 V CB 0.076 31.941 31.823 0.071 0.000 0.917 90 V HN 0.659 nan 8.190 nan 0.000 0.484 91 G N 3.783 112.621 108.800 0.062 0.000 2.232 91 G HA2 -0.185 3.775 3.960 0.000 0.000 0.226 91 G HA3 -0.185 3.775 3.960 0.000 0.000 0.226 91 G C 0.048 174.965 174.900 0.028 0.000 0.996 91 G CA -0.051 45.074 45.100 0.041 0.000 0.626 91 G HN 0.541 nan 8.290 nan 0.000 0.509 92 L N 1.957 123.197 121.223 0.029 0.000 2.421 92 L HA 0.597 4.937 4.340 0.000 0.000 0.263 92 L C 1.535 178.390 176.870 -0.025 0.000 1.122 92 L CA -0.115 54.716 54.840 -0.016 0.000 0.804 92 L CB 1.095 43.110 42.059 -0.074 0.000 1.150 92 L HN 0.411 nan 8.230 nan 0.000 0.457 93 T N -2.033 112.498 114.554 -0.038 0.000 2.847 93 T HA 0.249 4.599 4.350 0.000 0.000 0.279 93 T C 1.204 175.877 174.700 -0.045 0.000 0.984 93 T CA -0.173 61.910 62.100 -0.028 0.000 0.988 93 T CB 1.486 70.340 68.868 -0.022 0.000 1.040 93 T HN 0.687 nan 8.240 nan 0.000 0.528 94 G N 0.079 108.864 108.800 -0.024 0.000 2.422 94 G HA2 0.028 3.988 3.960 0.000 0.000 0.218 94 G HA3 0.028 3.988 3.960 0.000 0.000 0.218 94 G C 1.545 176.437 174.900 -0.013 0.000 1.146 94 G CA 0.600 45.689 45.100 -0.017 0.000 0.769 94 G HN 1.018 nan 8.290 nan 0.000 0.547 95 G N 0.375 109.161 108.800 -0.022 0.000 2.421 95 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 95 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 95 G C 1.802 176.718 174.900 0.028 0.000 1.171 95 G CA 1.103 46.195 45.100 -0.014 0.000 0.775 95 G HN 0.519 nan 8.290 nan 0.000 0.543 96 Q N -0.235 119.547 119.800 -0.029 0.000 2.124 96 Q HA 0.024 4.364 4.340 0.000 0.000 0.202 96 Q C 2.588 178.496 176.000 -0.153 0.000 0.977 96 Q CA 0.885 56.649 55.803 -0.064 0.000 0.850 96 Q CB -0.184 28.507 28.738 -0.078 0.000 0.901 96 Q HN 0.520 nan 8.270 nan 0.000 0.429 97 I N 0.027 120.460 120.570 -0.228 0.000 2.286 97 I HA -0.253 3.917 4.170 0.000 0.000 0.248 97 I C 2.132 178.105 176.117 -0.240 0.000 1.115 97 I CA 0.952 61.978 61.300 -0.457 0.000 1.392 97 I CB -0.209 37.544 38.000 -0.412 0.000 1.065 97 I HN 0.176 nan 8.210 nan 0.000 0.418 98 F N 1.847 121.669 119.950 -0.213 0.000 2.075 98 F HA -0.287 4.240 4.527 -0.000 0.000 0.297 98 F C 2.329 178.044 175.800 -0.142 0.000 1.113 98 F CA 2.117 60.003 58.000 -0.191 0.000 1.218 98 F CB -0.598 38.267 39.000 -0.225 0.000 0.984 98 F HN 0.076 nan 8.300 nan 0.000 0.472 99 N N -0.166 118.572 118.700 0.062 0.000 2.061 99 N HA -0.277 4.463 4.740 0.000 0.000 0.193 99 N C 1.820 177.292 175.510 -0.064 0.000 1.030 99 N CA 1.589 54.677 53.050 0.063 0.000 0.856 99 N CB -0.203 38.336 38.487 0.087 0.000 1.023 99 N HN 0.299 nan 8.380 nan 0.000 0.424 100 E N 0.242 120.369 120.200 -0.121 0.000 2.110 100 E HA -0.079 4.271 4.350 0.000 0.000 0.193 100 E C 1.948 178.496 176.600 -0.086 0.000 0.988 100 E CA 1.031 57.373 56.400 -0.097 0.000 0.804 100 E CB -0.051 29.551 29.700 -0.163 0.000 0.745 100 E HN 0.366 nan 8.360 nan 0.000 0.458 101 M N -0.526 118.970 119.600 -0.172 0.000 2.229 101 M HA -0.066 4.414 4.480 0.000 0.000 0.264 101 M C 1.843 177.976 176.300 -0.279 0.000 1.063 101 M CA 1.018 56.217 55.300 -0.169 0.000 1.114 101 M CB -0.640 31.855 32.600 -0.176 0.000 1.387 101 M HN 0.210 nan 8.290 nan 0.000 0.420 102 M N 0.248 119.631 119.600 -0.361 0.000 2.108 102 M HA -0.136 4.344 4.480 0.000 0.000 0.261 102 M C 2.358 178.565 176.300 -0.156 0.000 1.066 102 M CA 1.996 57.101 55.300 -0.325 0.000 1.107 102 M CB -1.735 30.689 32.600 -0.293 0.000 1.356 102 M HN 0.423 nan 8.290 nan 0.000 0.406 103 S N -0.074 115.592 115.700 -0.058 0.000 2.428 103 S HA -0.067 4.403 4.470 0.000 0.000 0.230 103 S C 2.239 176.803 174.600 -0.059 0.000 1.014 103 S CA 1.308 59.496 58.200 -0.021 0.000 0.957 103 S CB -0.887 62.315 63.200 0.005 0.000 0.784 103 S HN 0.532 nan 8.310 nan 0.000 0.499 104 R N 0.985 121.435 120.500 -0.083 0.000 2.189 104 R HA 0.224 4.564 4.340 0.000 0.000 0.218 104 R C 2.002 178.214 176.300 -0.145 0.000 1.074 104 R CA 1.175 57.227 56.100 -0.080 0.000 0.991 104 R CB -1.207 29.068 30.300 -0.042 0.000 0.883 104 R HN 0.503 nan 8.270 nan 0.000 0.457 105 Q N 0.284 119.928 119.800 -0.260 0.000 2.246 105 Q HA 0.067 4.407 4.340 0.000 0.000 0.202 105 Q C -0.304 175.544 176.000 -0.253 0.000 0.883 105 Q CA 0.041 55.599 55.803 -0.409 0.000 0.952 105 Q CB 0.300 28.433 28.738 -1.008 0.000 1.078 105 Q HN 0.674 nan 8.270 nan 0.000 0.493 106 N N -0.204 118.419 118.700 -0.128 0.000 2.740 106 N HA -0.163 4.577 4.740 0.000 0.000 0.248 106 N C -1.366 174.147 175.510 0.005 0.000 1.062 106 N CA 0.278 53.304 53.050 -0.039 0.000 0.704 106 N CB -1.214 37.263 38.487 -0.016 0.000 0.968 106 N HN -0.035 nan 8.380 nan 0.000 0.547 107 V N 1.334 121.238 119.914 -0.017 0.000 2.406 107 V HA 0.208 4.328 4.120 0.000 0.000 0.272 107 V C 1.129 177.270 176.094 0.078 0.000 1.043 107 V CA 0.284 62.600 62.300 0.027 0.000 0.915 107 V CB 1.459 33.246 31.823 -0.059 0.000 0.988 107 V HN 0.490 nan 8.190 nan 0.000 0.466 108 D N 1.831 122.290 120.400 0.099 0.000 2.407 108 D HA 0.113 4.753 4.640 0.000 0.000 0.208 108 D C 0.325 176.675 176.300 0.084 0.000 1.083 108 D CA 0.045 54.126 54.000 0.135 0.000 0.844 108 D CB 0.573 41.451 40.800 0.130 0.000 0.967 108 D HN 0.486 nan 8.370 nan 0.000 0.506 109 T N -0.152 114.340 114.554 -0.104 0.000 2.952 109 T HA 0.547 4.897 4.350 0.000 0.000 0.305 109 T C -1.230 173.137 174.700 -0.554 0.000 1.064 109 T CA -0.674 61.205 62.100 -0.367 0.000 1.008 109 T CB 2.460 70.939 68.868 -0.647 0.000 1.078 109 T HN -0.146 nan 8.240 nan 0.000 0.459 110 V N 3.361 122.883 119.914 -0.652 0.000 2.638 110 V HA 0.593 4.713 4.120 0.000 0.000 0.306 110 V C -1.283 174.255 176.094 -0.928 0.000 1.052 110 V CA -0.900 61.032 62.300 -0.613 0.000 0.885 110 V CB 1.481 33.000 31.823 -0.507 0.000 0.999 110 V HN 0.834 nan 8.190 nan 0.000 0.424 111 F N 2.793 122.496 119.950 -0.412 0.000 2.427 111 F HA 0.883 5.410 4.527 0.000 0.000 0.346 111 F C 0.817 176.450 175.800 -0.279 0.000 1.120 111 F CA -0.164 57.593 58.000 -0.405 0.000 1.033 111 F CB 2.045 40.920 39.000 -0.209 0.000 1.126 111 F HN 0.675 nan 8.300 nan 0.000 0.462 112 G N 1.675 110.386 108.800 -0.149 0.000 2.550 112 G HA2 0.476 4.436 3.960 0.000 0.000 0.293 112 G HA3 0.476 4.436 3.960 0.000 0.000 0.293 112 G C -2.670 172.547 174.900 0.529 0.000 1.402 112 G CA -0.706 44.566 45.100 0.288 0.000 0.784 112 G HN 0.429 nan 8.290 nan 0.000 0.482 113 Y N 1.331 121.868 120.300 0.395 0.000 2.362 113 Y HA 0.560 5.110 4.550 0.000 0.000 0.326 113 Y C -2.323 173.566 175.900 -0.018 0.000 1.083 113 Y CA -1.533 56.689 58.100 0.204 0.000 1.073 113 Y CB 3.087 41.596 38.460 0.081 0.000 1.211 113 Y HN 0.520 nan 8.280 nan 0.000 0.433 114 P HA 0.476 nan 4.420 nan 0.000 0.272 114 P C -0.511 176.594 177.300 -0.325 0.000 1.240 114 P CA 0.166 62.702 63.100 -0.940 0.000 0.791 114 P CB 1.723 32.735 31.700 -1.146 0.000 0.978 115 G N -1.060 107.558 108.800 -0.305 0.000 2.576 115 G HA2 0.436 4.396 3.960 0.000 0.000 0.290 115 G HA3 0.436 4.396 3.960 0.000 0.000 0.290 115 G C 0.652 175.495 174.900 -0.096 0.000 1.442 115 G CA -0.100 44.930 45.100 -0.117 0.000 0.792 115 G HN 0.482 nan 8.290 nan 0.000 0.491 116 G N 0.355 109.132 108.800 -0.038 0.000 2.545 116 G HA2 0.081 4.041 3.960 0.000 0.000 0.217 116 G HA3 0.081 4.041 3.960 0.000 0.000 0.217 116 G C 2.110 177.008 174.900 -0.004 0.000 1.218 116 G CA 2.337 47.436 45.100 -0.001 0.000 0.787 116 G HN 1.629 nan 8.290 nan 0.000 0.571 117 A N -0.111 122.702 122.820 -0.012 0.000 2.024 117 A HA 0.029 4.349 4.320 0.000 0.000 0.220 117 A C 2.190 179.773 177.584 -0.001 0.000 1.164 117 A CA 1.587 53.619 52.037 -0.008 0.000 0.643 117 A CB -0.233 18.751 19.000 -0.027 0.000 0.806 117 A HN 0.449 nan 8.150 nan 0.000 0.451 118 I N -0.797 119.778 120.570 0.007 0.000 3.928 118 I HA 0.183 4.353 4.170 0.000 0.000 0.335 118 I C 1.523 177.703 176.117 0.106 0.000 1.325 118 I CA -0.015 61.318 61.300 0.055 0.000 1.107 118 I CB -0.209 37.867 38.000 0.127 0.000 1.014 118 I HN 0.255 nan 8.210 nan 0.000 0.400 119 L N 1.298 122.541 121.223 0.033 0.000 2.043 119 L HA -0.160 4.180 4.340 0.000 0.000 0.212 119 L C -0.325 176.575 176.870 0.049 0.000 1.075 119 L CA 1.653 56.513 54.840 0.033 0.000 0.752 119 L CB -1.798 40.252 42.059 -0.016 0.000 0.891 119 L HN 0.248 nan 8.230 nan 0.000 0.432 120 P HA -0.148 nan 4.420 nan 0.000 0.216 120 P C 1.843 179.130 177.300 -0.022 0.000 1.150 120 P CA 1.190 64.286 63.100 -0.007 0.000 0.837 120 P CB 0.084 31.773 31.700 -0.017 0.000 0.786 121 V N -2.203 117.680 119.914 -0.052 0.000 2.453 121 V HA -0.214 3.906 4.120 0.000 0.000 0.247 121 V C 2.065 178.075 176.094 -0.139 0.000 1.048 121 V CA 1.561 63.762 62.300 -0.164 0.000 1.049 121 V CB -1.371 30.204 31.823 -0.414 0.000 0.672 121 V HN 0.043 nan 8.190 nan 0.000 0.457 122 Y N 0.672 120.905 120.300 -0.111 0.000 2.293 122 Y HA -0.197 4.353 4.550 -0.000 0.000 0.291 122 Y C 2.367 178.222 175.900 -0.075 0.000 1.137 122 Y CA 1.885 59.923 58.100 -0.104 0.000 1.202 122 Y CB -0.296 38.085 38.460 -0.131 0.000 0.990 122 Y HN 0.368 nan 8.280 nan 0.000 0.537 123 D N -0.586 119.847 120.400 0.055 0.000 2.183 123 D HA -0.123 4.517 4.640 0.000 0.000 0.203 123 D C 2.149 178.465 176.300 0.027 0.000 0.969 123 D CA 1.100 55.106 54.000 0.010 0.000 0.842 123 D CB -0.080 40.710 40.800 -0.017 0.000 0.957 123 D HN 0.230 nan 8.370 nan 0.000 0.484 124 A N 0.411 123.235 122.820 0.007 0.000 2.014 124 A HA 0.001 4.321 4.320 0.000 0.000 0.218 124 A C 2.154 179.749 177.584 0.017 0.000 1.163 124 A CA 1.118 53.161 52.037 0.010 0.000 0.652 124 A CB -0.779 18.226 19.000 0.009 0.000 0.808 124 A HN 0.544 nan 8.150 nan 0.000 0.449 125 I N -3.786 116.789 120.570 0.008 0.000 3.928 125 I HA 0.241 4.411 4.170 0.000 0.000 0.335 125 I C 0.633 176.713 176.117 -0.061 0.000 1.325 125 I CA -0.597 60.700 61.300 -0.004 0.000 1.107 125 I CB -0.528 37.541 38.000 0.116 0.000 1.014 125 I HN 0.192 nan 8.210 nan 0.000 0.400 126 H N 3.494 122.495 119.070 -0.114 0.000 3.107 126 H HA 0.071 4.627 4.556 0.000 0.000 0.301 126 H C 0.700 175.956 175.328 -0.119 0.000 0.981 126 H CA 0.718 56.699 56.048 -0.112 0.000 1.443 126 H CB 0.168 29.886 29.762 -0.074 0.000 1.479 126 H HN 0.349 nan 8.280 nan 0.000 0.564 127 N N 1.940 120.336 118.700 -0.506 0.000 2.713 127 N HA -0.263 4.477 4.740 0.000 0.000 0.251 127 N C -0.423 174.907 175.510 -0.299 0.000 1.117 127 N CA 1.176 53.967 53.050 -0.432 0.000 0.770 127 N CB -1.350 36.828 38.487 -0.514 0.000 1.137 127 N HN 0.559 nan 8.380 nan 0.000 0.566 128 S N 0.981 116.494 115.700 -0.311 0.000 2.549 128 S HA 0.068 4.538 4.470 0.000 0.000 0.283 128 S C 1.075 175.427 174.600 -0.414 0.000 1.320 128 S CA 0.062 58.038 58.200 -0.373 0.000 1.058 128 S CB 0.642 63.523 63.200 -0.530 0.000 0.882 128 S HN 0.289 nan 8.310 nan 0.000 0.498 129 D N 3.594 123.803 120.400 -0.318 0.000 2.340 129 D HA 0.074 4.714 4.640 0.000 0.000 0.217 129 D C 0.876 177.020 176.300 -0.260 0.000 1.081 129 D CA -0.021 53.829 54.000 -0.249 0.000 0.842 129 D CB 0.021 40.729 40.800 -0.153 0.000 0.934 129 D HN 0.550 nan 8.370 nan 0.000 0.511 130 K N -0.210 119.952 120.400 -0.397 0.000 2.283 130 K HA 0.081 4.401 4.320 0.000 0.000 0.202 130 K C -0.064 176.465 176.600 -0.118 0.000 1.048 130 K CA 0.710 56.845 56.287 -0.253 0.000 0.948 130 K CB -0.057 32.318 32.500 -0.208 0.000 0.742 130 K HN 0.290 nan 8.250 nan 0.000 0.458 131 F N -2.574 117.359 119.950 -0.030 0.000 2.744 131 F HA 0.244 4.771 4.527 0.000 0.000 0.311 131 F C -1.323 174.462 175.800 -0.024 0.000 1.144 131 F CA -1.800 56.181 58.000 -0.032 0.000 0.938 131 F CB 0.581 39.556 39.000 -0.041 0.000 1.292 131 F HN -0.258 nan 8.300 nan 0.000 0.444 132 N N 0.843 119.674 118.700 0.219 0.000 2.514 132 N HA 0.382 5.122 4.740 0.000 0.000 0.277 132 N C -1.730 173.875 175.510 0.158 0.000 1.126 132 N CA -0.393 52.729 53.050 0.120 0.000 0.978 132 N CB 0.827 39.325 38.487 0.017 0.000 1.106 132 N HN 0.621 nan 8.380 nan 0.000 0.461 133 F N 4.318 124.290 119.950 0.037 0.000 2.436 133 F HA 0.425 4.952 4.527 0.000 0.000 0.340 133 F C -0.783 174.970 175.800 -0.078 0.000 1.113 133 F CA -0.593 57.409 58.000 0.003 0.000 1.022 133 F CB 1.071 40.125 39.000 0.091 0.000 1.128 133 F HN 0.100 nan 8.300 nan 0.000 0.466 134 V N 7.447 126.940 119.914 -0.701 0.000 2.409 134 V HA 0.357 4.477 4.120 0.000 0.000 0.291 134 V C -0.835 175.117 176.094 -0.238 0.000 1.020 134 V CA -0.801 61.291 62.300 -0.346 0.000 0.848 134 V CB 1.432 33.029 31.823 -0.376 0.000 0.990 134 V HN 0.615 nan 8.190 nan 0.000 0.430 135 L N 9.683 130.957 121.223 0.086 0.000 2.272 135 L HA 0.740 5.080 4.340 0.000 0.000 0.289 135 L C -2.152 174.846 176.870 0.214 0.000 1.032 135 L CA -1.130 53.839 54.840 0.214 0.000 0.810 135 L CB 1.711 43.934 42.059 0.273 0.000 1.205 135 L HN 0.457 nan 8.230 nan 0.000 0.422 136 P HA 0.369 nan 4.420 nan 0.000 0.314 136 P C -0.718 176.775 177.300 0.321 0.000 1.306 136 P CA -0.441 62.807 63.100 0.246 0.000 0.782 136 P CB 1.405 33.233 31.700 0.214 0.000 1.337 137 K N -1.817 118.721 120.400 0.231 0.000 2.354 137 K HA 0.132 4.452 4.320 0.000 0.000 0.194 137 K C 0.449 177.088 176.600 0.065 0.000 1.045 137 K CA 0.672 57.089 56.287 0.217 0.000 1.026 137 K CB -0.064 32.523 32.500 0.145 0.000 0.866 137 K HN 0.565 nan 8.250 nan 0.000 0.530 138 H N 0.108 119.136 119.070 -0.069 0.000 2.865 138 H HA 0.172 4.728 4.556 0.000 0.000 0.362 138 H C -0.061 175.188 175.328 -0.132 0.000 1.114 138 H CA -0.084 55.855 56.048 -0.181 0.000 1.208 138 H CB 1.896 31.592 29.762 -0.109 0.000 1.727 138 H HN -0.216 nan 8.280 nan 0.000 0.534 139 E N 2.136 122.264 120.200 -0.121 0.000 2.160 139 E HA -0.208 4.142 4.350 0.000 0.000 0.195 139 E C 1.861 178.518 176.600 0.095 0.000 0.991 139 E CA 1.391 57.794 56.400 0.005 0.000 0.810 139 E CB 0.164 29.811 29.700 -0.088 0.000 0.742 139 E HN 0.622 nan 8.360 nan 0.000 0.466 140 Q N -0.142 119.832 119.800 0.290 0.000 2.124 140 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 140 Q C 2.110 178.037 176.000 -0.122 0.000 0.977 140 Q CA 1.580 57.360 55.803 -0.039 0.000 0.850 140 Q CB -0.300 28.349 28.738 -0.147 0.000 0.901 140 Q HN 0.388 nan 8.270 nan 0.000 0.429 141 G N 0.196 109.009 108.800 0.021 0.000 2.408 141 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 141 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 141 G C 1.440 176.340 174.900 0.000 0.000 1.150 141 G CA 0.789 45.909 45.100 0.032 0.000 0.776 141 G HN 0.486 nan 8.290 nan 0.000 0.542 142 A N 0.931 123.769 122.820 0.030 0.000 1.902 142 A HA 0.143 4.463 4.320 0.000 0.000 0.217 142 A C 2.695 180.215 177.584 -0.106 0.000 1.181 142 A CA 2.137 54.195 52.037 0.035 0.000 0.623 142 A CB -1.073 17.999 19.000 0.120 0.000 0.818 142 A HN 0.505 nan 8.150 nan 0.000 0.443 143 G N -1.318 107.403 108.800 -0.132 0.000 2.421 143 G HA2 -0.245 3.715 3.960 0.000 0.000 0.216 143 G HA3 -0.245 3.715 3.960 0.000 0.000 0.216 143 G C 1.492 176.280 174.900 -0.188 0.000 1.171 143 G CA 1.115 46.101 45.100 -0.189 0.000 0.775 143 G HN 0.633 nan 8.290 nan 0.000 0.543 144 H N -0.036 118.981 119.070 -0.089 0.000 2.423 144 H HA 0.119 4.675 4.556 0.000 0.000 0.297 144 H C 2.681 177.842 175.328 -0.277 0.000 1.075 144 H CA 0.985 56.965 56.048 -0.113 0.000 1.342 144 H CB -0.278 29.423 29.762 -0.102 0.000 1.395 144 H HN 0.334 nan 8.280 nan 0.000 0.530 145 M N -0.100 119.354 119.600 -0.244 0.000 2.117 145 M HA -0.100 4.380 4.480 0.000 0.000 0.262 145 M C 2.672 178.475 176.300 -0.827 0.000 1.065 145 M CA 1.453 56.460 55.300 -0.489 0.000 1.114 145 M CB -0.146 32.135 32.600 -0.531 0.000 1.361 145 M HN 0.242 nan 8.290 nan 0.000 0.408 146 A N 0.236 122.501 122.820 -0.926 0.000 1.933 146 A HA -0.184 4.136 4.320 0.000 0.000 0.218 146 A C 1.904 179.389 177.584 -0.165 0.000 1.175 146 A CA 1.726 53.366 52.037 -0.661 0.000 0.628 146 A CB -0.651 18.164 19.000 -0.308 0.000 0.814 146 A HN 0.549 nan 8.150 nan 0.000 0.444 147 E N -0.750 119.394 120.200 -0.092 0.000 2.047 147 E HA -0.101 4.249 4.350 0.000 0.000 0.191 147 E C 2.211 178.832 176.600 0.035 0.000 0.987 147 E CA 0.778 57.208 56.400 0.050 0.000 0.799 147 E CB -0.417 29.410 29.700 0.212 0.000 0.752 147 E HN 0.594 nan 8.360 nan 0.000 0.449 148 G N 0.648 109.410 108.800 -0.064 0.000 2.442 148 G HA2 -0.309 3.651 3.960 0.000 0.000 0.219 148 G HA3 -0.309 3.651 3.960 0.000 0.000 0.219 148 G C 1.422 176.319 174.900 -0.005 0.000 1.141 148 G CA 0.917 45.969 45.100 -0.080 0.000 0.763 148 G HN 0.293 nan 8.290 nan 0.000 0.554 149 Y N 1.889 122.125 120.300 -0.107 0.000 2.181 149 Y HA 0.042 4.591 4.550 -0.000 0.000 0.288 149 Y C 2.868 178.781 175.900 0.022 0.000 1.146 149 Y CA 1.548 59.651 58.100 0.005 0.000 1.164 149 Y CB -0.304 38.210 38.460 0.090 0.000 0.982 149 Y HN 0.238 nan 8.280 nan 0.000 0.515 150 A N 0.791 123.668 122.820 0.095 0.000 1.898 150 A HA -0.152 4.168 4.320 0.000 0.000 0.216 150 A C 2.381 179.924 177.584 -0.069 0.000 1.181 150 A CA 2.340 54.386 52.037 0.016 0.000 0.620 150 A CB -1.329 17.728 19.000 0.096 0.000 0.819 150 A HN 0.513 nan 8.150 nan 0.000 0.442 151 R N -0.639 119.846 120.500 -0.025 0.000 2.120 151 R HA 0.208 4.548 4.340 0.000 0.000 0.234 151 R C 2.354 178.632 176.300 -0.038 0.000 1.123 151 R CA 2.103 58.198 56.100 -0.009 0.000 0.975 151 R CB -1.494 28.824 30.300 0.029 0.000 0.866 151 R HN 0.884 nan 8.270 nan 0.000 0.446 152 A N 0.465 123.234 122.820 -0.085 0.000 2.030 152 A HA 0.047 4.367 4.320 0.000 0.000 0.215 152 A C 2.398 179.863 177.584 -0.198 0.000 1.164 152 A CA 1.673 53.661 52.037 -0.082 0.000 0.697 152 A CB -0.037 18.935 19.000 -0.047 0.000 0.827 152 A HN 0.736 nan 8.150 nan 0.000 0.457 153 S N -2.739 112.765 115.700 -0.327 0.000 2.497 153 S HA 0.400 4.870 4.470 0.000 0.000 0.218 153 S C 1.492 175.918 174.600 -0.290 0.000 1.023 153 S CA 1.172 59.157 58.200 -0.358 0.000 0.913 153 S CB 0.059 62.900 63.200 -0.598 0.000 0.800 153 S HN 1.805 nan 8.310 nan 0.000 0.505 154 G N 1.133 109.777 108.800 -0.260 0.000 2.159 154 G HA2 -0.244 3.716 3.960 0.000 0.000 0.256 154 G HA3 -0.244 3.716 3.960 0.000 0.000 0.256 154 G C -0.105 174.741 174.900 -0.090 0.000 0.977 154 G CA 0.399 45.383 45.100 -0.193 0.000 0.652 154 G HN 0.617 nan 8.290 nan 0.000 0.531 155 K N 1.179 121.538 120.400 -0.068 0.000 2.156 155 K HA 0.563 4.883 4.320 0.000 0.000 0.250 155 K C -2.350 174.344 176.600 0.156 0.000 0.955 155 K CA -2.077 54.251 56.287 0.068 0.000 0.855 155 K CB 2.126 34.708 32.500 0.137 0.000 1.101 155 K HN 0.027 nan 8.250 nan 0.000 0.434 156 P HA 0.014 nan 4.420 nan 0.000 0.271 156 P C -0.417 177.038 177.300 0.259 0.000 1.216 156 P CA -0.282 62.919 63.100 0.168 0.000 0.776 156 P CB 0.736 32.501 31.700 0.108 0.000 0.881 157 G N 1.753 110.670 108.800 0.196 0.000 2.353 157 G HA2 0.440 4.400 3.960 0.000 0.000 0.284 157 G HA3 0.440 4.400 3.960 0.000 0.000 0.284 157 G C -0.617 174.346 174.900 0.104 0.000 1.172 157 G CA -0.395 44.831 45.100 0.210 0.000 0.854 157 G HN 0.350 nan 8.290 nan 0.000 0.485 158 V N 3.006 123.007 119.914 0.145 0.000 2.398 158 V HA 0.400 4.520 4.120 0.000 0.000 0.286 158 V C -0.030 176.178 176.094 0.190 0.000 1.026 158 V CA -0.621 61.767 62.300 0.147 0.000 0.868 158 V CB 1.440 33.376 31.823 0.188 0.000 0.982 158 V HN 0.515 nan 8.190 nan 0.000 0.443 159 V N 5.967 125.986 119.914 0.175 0.000 2.581 159 V HA 0.568 4.688 4.120 0.000 0.000 0.303 159 V C -0.609 175.647 176.094 0.270 0.000 1.041 159 V CA -0.667 61.740 62.300 0.178 0.000 0.907 159 V CB 1.907 33.781 31.823 0.086 0.000 0.994 159 V HN 0.657 nan 8.190 nan 0.000 0.442 160 L N 6.757 128.135 121.223 0.259 0.000 2.471 160 L HA 0.743 5.083 4.340 0.000 0.000 0.263 160 L C -0.492 176.584 176.870 0.342 0.000 0.985 160 L CA -0.076 54.940 54.840 0.293 0.000 0.868 160 L CB 1.443 43.638 42.059 0.227 0.000 1.203 160 L HN 0.579 nan 8.230 nan 0.000 0.429 161 V N 0.571 120.636 119.914 0.253 0.000 3.155 161 V HA 0.741 4.861 4.120 0.000 0.000 0.313 161 V C 0.209 176.389 176.094 0.144 0.000 1.162 161 V CA -0.453 61.976 62.300 0.214 0.000 1.048 161 V CB 1.514 33.411 31.823 0.124 0.000 1.092 161 V HN 0.608 nan 8.190 nan 0.000 0.447 162 T N 0.681 115.283 114.554 0.080 0.000 2.833 162 T HA 0.476 4.826 4.350 0.000 0.000 0.292 162 T C 0.636 175.324 174.700 -0.020 0.000 1.031 162 T CA 0.405 62.516 62.100 0.019 0.000 0.937 162 T CB 0.963 69.817 68.868 -0.024 0.000 1.256 162 T HN 1.538 nan 8.240 nan 0.000 0.551 163 S N -0.461 115.206 115.700 -0.055 0.000 2.661 163 S HA 0.604 5.074 4.470 0.000 0.000 0.265 163 S C 1.293 175.820 174.600 -0.123 0.000 1.225 163 S CA -0.021 58.130 58.200 -0.081 0.000 0.986 163 S CB -0.009 63.136 63.200 -0.090 0.000 1.008 163 S HN 1.577 nan 8.310 nan 0.000 0.565 164 G N 1.520 110.243 108.800 -0.129 0.000 2.629 164 G HA2 -0.293 3.667 3.960 0.000 0.000 0.313 164 G HA3 -0.293 3.667 3.960 0.000 0.000 0.313 164 G C -0.994 173.828 174.900 -0.130 0.000 1.217 164 G CA 0.416 45.427 45.100 -0.148 0.000 0.994 164 G HN 0.753 nan 8.290 nan 0.000 0.549 165 P HA -0.074 nan 4.420 nan 0.000 0.218 165 P C 1.918 179.132 177.300 -0.144 0.000 1.148 165 P CA 2.679 65.695 63.100 -0.139 0.000 0.822 165 P CB -0.729 30.879 31.700 -0.152 0.000 0.784 166 G N 0.435 109.154 108.800 -0.135 0.000 2.422 166 G HA2 -0.190 3.770 3.960 0.000 0.000 0.218 166 G HA3 -0.190 3.770 3.960 0.000 0.000 0.218 166 G C 1.784 176.637 174.900 -0.078 0.000 1.146 166 G CA 0.996 46.029 45.100 -0.112 0.000 0.769 166 G HN 0.398 nan 8.290 nan 0.000 0.547 167 A N 0.713 123.490 122.820 -0.072 0.000 1.903 167 A HA 0.070 4.390 4.320 0.000 0.000 0.213 167 A C 2.629 180.173 177.584 -0.067 0.000 1.185 167 A CA 2.301 54.302 52.037 -0.060 0.000 0.628 167 A CB -0.936 18.027 19.000 -0.061 0.000 0.830 167 A HN 0.473 nan 8.150 nan 0.000 0.446 168 T N -1.737 112.772 114.554 -0.075 0.000 2.915 168 T HA -0.123 4.227 4.350 0.000 0.000 0.269 168 T C 1.437 176.106 174.700 -0.052 0.000 1.071 168 T CA 1.458 63.518 62.100 -0.066 0.000 1.132 168 T CB -0.525 68.303 68.868 -0.067 0.000 0.878 168 T HN 0.315 nan 8.240 nan 0.000 0.479 169 N N 1.595 120.260 118.700 -0.057 0.000 2.520 169 N HA -0.007 4.733 4.740 0.000 0.000 0.185 169 N C 1.605 177.111 175.510 -0.006 0.000 1.068 169 N CA 1.057 54.102 53.050 -0.009 0.000 0.911 169 N CB -0.010 38.423 38.487 -0.090 0.000 0.961 169 N HN 0.660 nan 8.380 nan 0.000 0.446 170 V N -3.186 116.700 119.914 -0.046 0.000 3.376 170 V HA 0.231 4.351 4.120 0.000 0.000 0.313 170 V C 1.629 177.676 176.094 -0.078 0.000 1.393 170 V CA 0.020 62.277 62.300 -0.071 0.000 1.125 170 V CB -0.194 31.592 31.823 -0.062 0.000 1.037 170 V HN -0.167 nan 8.190 nan 0.000 0.440 171 V N 1.192 121.067 119.914 -0.065 0.000 2.358 171 V HA -0.201 3.919 4.120 0.000 0.000 0.246 171 V C 2.751 178.810 176.094 -0.058 0.000 1.047 171 V CA 2.924 65.183 62.300 -0.067 0.000 1.035 171 V CB -0.921 30.864 31.823 -0.063 0.000 0.658 171 V HN 0.667 nan 8.190 nan 0.000 0.452 172 T N 0.309 114.834 114.554 -0.049 0.000 2.708 172 T HA -0.104 4.246 4.350 0.000 0.000 0.266 172 T C -0.042 174.654 174.700 -0.007 0.000 1.037 172 T CA 1.979 64.068 62.100 -0.018 0.000 1.146 172 T CB -1.138 67.737 68.868 0.010 0.000 0.865 172 T HN 0.424 nan 8.240 nan 0.000 0.435 173 P HA 0.001 nan 4.420 nan 0.000 0.216 173 P C 1.590 178.884 177.300 -0.011 0.000 1.150 173 P CA 1.153 64.185 63.100 -0.113 0.000 0.837 173 P CB -0.128 31.379 31.700 -0.321 0.000 0.786 174 M N -1.287 118.293 119.600 -0.035 0.000 2.132 174 M HA -0.095 4.385 4.480 0.000 0.000 0.263 174 M C 2.159 178.479 176.300 0.033 0.000 1.065 174 M CA 1.913 57.206 55.300 -0.012 0.000 1.122 174 M CB -0.864 31.704 32.600 -0.054 0.000 1.365 174 M HN -0.099 nan 8.290 nan 0.000 0.411 175 A N -0.043 122.780 122.820 0.006 0.000 1.972 175 A HA -0.210 4.110 4.320 0.000 0.000 0.219 175 A C 1.907 179.542 177.584 0.085 0.000 1.169 175 A CA 1.850 53.907 52.037 0.033 0.000 0.635 175 A CB -0.824 18.169 19.000 -0.011 0.000 0.810 175 A HN 0.551 nan 8.150 nan 0.000 0.446 176 D N 0.061 120.495 120.400 0.058 0.000 2.097 176 D HA -0.068 4.572 4.640 0.000 0.000 0.197 176 D C 2.106 178.420 176.300 0.023 0.000 0.984 176 D CA 1.321 55.337 54.000 0.026 0.000 0.826 176 D CB -0.031 40.808 40.800 0.065 0.000 0.973 176 D HN 0.331 nan 8.370 nan 0.000 0.460 177 A N 0.127 122.985 122.820 0.064 0.000 1.969 177 A HA -0.131 4.189 4.320 0.000 0.000 0.218 177 A C 2.029 179.657 177.584 0.073 0.000 1.169 177 A CA 0.710 52.780 52.037 0.055 0.000 0.635 177 A CB -0.961 18.076 19.000 0.061 0.000 0.810 177 A HN 0.372 nan 8.150 nan 0.000 0.445 178 F N 0.922 120.852 119.950 -0.033 0.000 2.113 178 F HA -0.047 4.480 4.527 -0.000 0.000 0.297 178 F C 2.526 178.305 175.800 -0.033 0.000 1.103 178 F CA 1.144 59.127 58.000 -0.029 0.000 1.248 178 F CB -0.390 38.593 39.000 -0.028 0.000 0.999 178 F HN 0.243 nan 8.300 nan 0.000 0.475 179 A N -0.618 122.244 122.820 0.070 0.000 1.933 179 A HA -0.163 4.157 4.320 0.000 0.000 0.218 179 A C 1.626 179.145 177.584 -0.109 0.000 1.175 179 A CA 1.966 53.981 52.037 -0.036 0.000 0.628 179 A CB -0.710 18.288 19.000 -0.003 0.000 0.814 179 A HN 0.409 nan 8.150 nan 0.000 0.444 180 D N -1.202 119.138 120.400 -0.100 0.000 2.340 180 D HA 0.293 4.933 4.640 0.000 0.000 0.217 180 D C 1.028 177.268 176.300 -0.100 0.000 1.081 180 D CA 0.858 54.792 54.000 -0.111 0.000 0.842 180 D CB -0.015 40.707 40.800 -0.131 0.000 0.934 180 D HN 0.527 nan 8.370 nan 0.000 0.511 181 G N 1.685 110.412 108.800 -0.121 0.000 2.314 181 G HA2 -0.248 3.712 3.960 0.000 0.000 0.292 181 G HA3 -0.248 3.712 3.960 0.000 0.000 0.292 181 G C 0.024 174.892 174.900 -0.052 0.000 1.059 181 G CA -0.288 44.747 45.100 -0.108 0.000 0.982 181 G HN 0.212 nan 8.290 nan 0.000 0.505 182 I N 1.575 122.129 120.570 -0.027 0.000 2.315 182 I HA 0.313 4.483 4.170 0.000 0.000 0.291 182 I C -1.640 174.482 176.117 0.008 0.000 1.006 182 I CA -3.440 57.861 61.300 0.000 0.000 1.265 182 I CB 1.016 39.029 38.000 0.022 0.000 1.387 182 I HN 0.012 nan 8.210 nan 0.000 0.475 183 P HA 0.244 nan 4.420 nan 0.000 0.271 183 P C -0.743 176.557 177.300 0.000 0.000 1.226 183 P CA -0.228 62.875 63.100 0.005 0.000 0.765 183 P CB 1.278 32.989 31.700 0.017 0.000 0.835 184 M N 3.627 123.202 119.600 -0.042 0.000 2.365 184 M HA 0.304 4.784 4.480 0.000 0.000 0.288 184 M C -2.055 174.140 176.300 -0.175 0.000 1.152 184 M CA -0.777 54.480 55.300 -0.071 0.000 0.948 184 M CB 2.330 34.911 32.600 -0.031 0.000 1.729 184 M HN -0.063 nan 8.290 nan 0.000 0.487 185 V N 4.887 124.635 119.914 -0.277 0.000 2.350 185 V HA 0.485 4.605 4.120 0.000 0.000 0.285 185 V C -0.711 175.141 176.094 -0.404 0.000 1.014 185 V CA -0.685 61.332 62.300 -0.471 0.000 0.831 185 V CB 1.573 32.880 31.823 -0.859 0.000 1.000 185 V HN 0.655 nan 8.190 nan 0.000 0.433 186 V N 5.861 125.545 119.914 -0.383 0.000 2.370 186 V HA 0.473 4.593 4.120 0.000 0.000 0.279 186 V C -0.483 175.408 176.094 -0.338 0.000 1.029 186 V CA -0.344 61.811 62.300 -0.243 0.000 0.870 186 V CB 1.128 32.870 31.823 -0.136 0.000 0.984 186 V HN 0.662 nan 8.190 nan 0.000 0.451 187 F N 3.196 123.172 119.950 0.043 0.000 2.385 187 F HA 0.514 5.041 4.527 0.000 0.000 0.360 187 F C 0.786 176.591 175.800 0.008 0.000 1.122 187 F CA -0.502 57.523 58.000 0.042 0.000 1.090 187 F CB 1.815 40.862 39.000 0.078 0.000 1.150 187 F HN 0.500 nan 8.300 nan 0.000 0.472 188 T N 0.450 115.084 114.554 0.133 0.000 2.779 188 T HA 0.661 5.011 4.350 0.000 0.000 0.280 188 T C 0.313 175.044 174.700 0.051 0.000 0.987 188 T CA -0.929 61.212 62.100 0.068 0.000 0.966 188 T CB 1.400 70.271 68.868 0.004 0.000 0.933 188 T HN 0.730 nan 8.240 nan 0.000 0.442 189 G N 1.473 110.297 108.800 0.040 0.000 2.614 189 G HA2 0.460 4.420 3.960 0.000 0.000 0.239 189 G HA3 0.460 4.420 3.960 0.000 0.000 0.239 189 G C -0.541 174.354 174.900 -0.007 0.000 1.240 189 G CA -0.193 44.916 45.100 0.015 0.000 0.842 189 G HN 0.868 nan 8.290 nan 0.000 0.584 190 Q N -0.756 119.037 119.800 -0.012 0.000 2.416 190 Q HA 0.475 4.815 4.340 0.000 0.000 0.281 190 Q C -0.060 175.929 176.000 -0.018 0.000 1.067 190 Q CA -0.725 55.065 55.803 -0.022 0.000 0.809 190 Q CB 1.951 30.678 28.738 -0.018 0.000 1.418 190 Q HN 0.957 nan 8.270 nan 0.000 0.411 191 V N 0.332 120.233 119.914 -0.022 0.000 3.287 191 V HA 0.492 4.612 4.120 0.000 0.000 0.306 191 V C -2.174 173.922 176.094 0.002 0.000 1.103 191 V CA -1.286 61.011 62.300 -0.005 0.000 1.159 191 V CB -0.436 31.386 31.823 -0.002 0.000 1.036 191 V HN 0.789 nan 8.190 nan 0.000 0.487 192 P HA 0.093 nan 4.420 nan 0.000 0.267 192 P C 1.213 178.517 177.300 0.007 0.000 1.200 192 P CA 0.844 63.950 63.100 0.010 0.000 0.772 192 P CB 0.362 32.071 31.700 0.014 0.000 0.855 193 T N -1.268 113.290 114.554 0.007 0.000 2.778 193 T HA -0.213 4.137 4.350 0.000 0.000 0.269 193 T C 1.598 176.301 174.700 0.005 0.000 1.050 193 T CA 1.833 63.936 62.100 0.005 0.000 1.137 193 T CB -1.131 67.741 68.868 0.008 0.000 0.860 193 T HN 0.454 nan 8.240 nan 0.000 0.468 194 S N 1.121 116.825 115.700 0.007 0.000 2.522 194 S HA 0.435 4.905 4.470 0.000 0.000 0.227 194 S C 2.099 176.704 174.600 0.007 0.000 0.986 194 S CA 0.236 58.441 58.200 0.007 0.000 0.929 194 S CB -0.349 62.855 63.200 0.007 0.000 0.769 194 S HN 0.742 nan 8.310 nan 0.000 0.529 195 A N 0.910 123.736 122.820 0.009 0.000 2.169 195 A HA 0.483 4.803 4.320 0.000 0.000 0.210 195 A C 0.781 178.369 177.584 0.006 0.000 1.168 195 A CA -0.397 51.647 52.037 0.012 0.000 0.813 195 A CB -0.318 18.695 19.000 0.022 0.000 0.861 195 A HN 0.539 nan 8.150 nan 0.000 0.481 196 I N 0.569 121.139 120.570 0.001 0.000 2.683 196 I HA 0.224 4.394 4.170 0.000 0.000 0.286 196 I C 1.536 177.649 176.117 -0.007 0.000 1.175 196 I CA 1.418 62.714 61.300 -0.007 0.000 1.429 196 I CB 0.317 38.311 38.000 -0.010 0.000 1.371 196 I HN 0.468 nan 8.210 nan 0.000 0.569 197 G N 3.870 112.664 108.800 -0.010 0.000 2.143 197 G HA2 -0.284 3.676 3.960 0.000 0.000 0.249 197 G HA3 -0.284 3.676 3.960 0.000 0.000 0.249 197 G C 0.620 175.517 174.900 -0.004 0.000 0.981 197 G CA 0.491 45.585 45.100 -0.009 0.000 0.665 197 G HN 0.790 nan 8.290 nan 0.000 0.528 198 T N -2.438 112.116 114.554 0.000 0.000 3.085 198 T HA 0.395 4.745 4.350 0.000 0.000 0.264 198 T C 0.626 175.332 174.700 0.009 0.000 1.019 198 T CA 0.879 62.982 62.100 0.005 0.000 0.910 198 T CB 0.222 69.096 68.868 0.010 0.000 1.059 198 T HN 0.521 nan 8.240 nan 0.000 0.542 199 D N 1.165 121.568 120.400 0.005 0.000 2.775 199 D HA -0.120 4.520 4.640 0.000 0.000 0.235 199 D C 0.509 176.825 176.300 0.027 0.000 1.120 199 D CA 0.808 54.813 54.000 0.008 0.000 0.708 199 D CB -1.650 39.155 40.800 0.009 0.000 1.084 199 D HN 0.831 nan 8.370 nan 0.000 0.434 200 A N -0.055 122.783 122.820 0.029 0.000 2.429 200 A HA 0.335 4.655 4.320 0.000 0.000 0.242 200 A C 0.411 178.054 177.584 0.098 0.000 1.088 200 A CA -0.265 51.810 52.037 0.064 0.000 0.784 200 A CB 0.188 19.219 19.000 0.051 0.000 1.038 200 A HN 0.219 nan 8.150 nan 0.000 0.501 201 F N 0.895 120.835 119.950 -0.018 0.000 2.602 201 F HA 0.158 4.685 4.527 0.000 0.000 0.385 201 F C 1.174 176.961 175.800 -0.021 0.000 1.063 201 F CA 1.008 58.997 58.000 -0.020 0.000 1.233 201 F CB -0.383 38.606 39.000 -0.019 0.000 1.067 201 F HN 0.769 nan 8.300 nan 0.000 0.564 202 Q N 2.330 121.774 119.800 -0.594 0.000 2.453 202 Q HA -0.301 4.039 4.340 0.000 0.000 0.294 202 Q C -0.315 175.527 176.000 -0.264 0.000 1.295 202 Q CA 1.206 56.676 55.803 -0.554 0.000 0.853 202 Q CB -1.318 26.913 28.738 -0.845 0.000 1.193 202 Q HN 0.852 nan 8.270 nan 0.000 0.461 203 E N -0.146 119.963 120.200 -0.153 0.000 2.179 203 E HA 0.710 5.060 4.350 0.000 0.000 0.275 203 E C -1.006 175.545 176.600 -0.082 0.000 0.945 203 E CA -0.044 56.301 56.400 -0.092 0.000 0.792 203 E CB 1.339 31.009 29.700 -0.048 0.000 1.125 203 E HN 0.311 nan 8.360 nan 0.000 0.397 204 A N 3.589 126.363 122.820 -0.075 0.000 2.515 204 A HA 0.270 4.590 4.320 0.000 0.000 0.298 204 A C -1.195 176.351 177.584 -0.063 0.000 1.059 204 A CA -0.805 51.191 52.037 -0.069 0.000 0.698 204 A CB 1.703 20.657 19.000 -0.078 0.000 1.289 204 A HN 0.691 nan 8.150 nan 0.000 0.404 205 D N 2.362 122.727 120.400 -0.059 0.000 2.619 205 D HA 0.207 4.847 4.640 0.000 0.000 0.224 205 D C 1.467 177.724 176.300 -0.072 0.000 1.133 205 D CA 0.409 54.372 54.000 -0.061 0.000 1.017 205 D CB 0.194 40.961 40.800 -0.054 0.000 1.077 205 D HN 0.521 nan 8.370 nan 0.000 0.503 206 V N 1.690 121.558 119.914 -0.076 0.000 2.490 206 V HA -0.220 3.900 4.120 0.000 0.000 0.250 206 V C 2.098 178.129 176.094 -0.104 0.000 1.061 206 V CA 1.777 64.025 62.300 -0.087 0.000 1.064 206 V CB -1.113 30.661 31.823 -0.082 0.000 0.670 206 V HN 0.368 nan 8.190 nan 0.000 0.461 207 V N -0.053 119.795 119.914 -0.109 0.000 2.515 207 V HA 0.140 4.260 4.120 0.000 0.000 0.250 207 V C 2.545 178.565 176.094 -0.123 0.000 1.058 207 V CA 1.984 64.202 62.300 -0.136 0.000 1.064 207 V CB -1.613 30.124 31.823 -0.143 0.000 0.675 207 V HN 0.508 nan 8.190 nan 0.000 0.461 208 G N 0.411 109.151 108.800 -0.099 0.000 2.404 208 G HA2 -0.072 3.888 3.960 0.000 0.000 0.213 208 G HA3 -0.072 3.888 3.960 0.000 0.000 0.213 208 G C 1.551 176.394 174.900 -0.094 0.000 1.189 208 G CA 0.965 46.012 45.100 -0.088 0.000 0.796 208 G HN 0.493 nan 8.290 nan 0.000 0.532 209 I N 1.870 122.385 120.570 -0.091 0.000 2.151 209 I HA -0.224 3.946 4.170 0.000 0.000 0.243 209 I C 2.879 178.928 176.117 -0.113 0.000 1.080 209 I CA 1.794 63.039 61.300 -0.092 0.000 1.339 209 I CB -0.168 37.782 38.000 -0.084 0.000 1.039 209 I HN 0.358 nan 8.210 nan 0.000 0.409 210 S N 0.133 115.757 115.700 -0.127 0.000 2.593 210 S HA 0.003 4.473 4.470 0.000 0.000 0.217 210 S C 1.843 176.331 174.600 -0.187 0.000 0.966 210 S CA -0.148 57.959 58.200 -0.154 0.000 0.914 210 S CB -0.247 62.866 63.200 -0.145 0.000 0.776 210 S HN 0.327 nan 8.310 nan 0.000 0.523 211 R N 2.066 122.467 120.500 -0.167 0.000 2.091 211 R HA -0.111 4.229 4.340 0.000 0.000 0.238 211 R C 2.291 178.460 176.300 -0.218 0.000 1.136 211 R CA 1.919 57.918 56.100 -0.168 0.000 0.959 211 R CB -0.480 29.746 30.300 -0.124 0.000 0.856 211 R HN 0.642 nan 8.270 nan 0.000 0.437 212 S N -0.943 114.615 115.700 -0.237 0.000 2.522 212 S HA -0.068 4.402 4.470 0.000 0.000 0.227 212 S C 1.557 175.776 174.600 -0.636 0.000 0.986 212 S CA 0.398 58.410 58.200 -0.314 0.000 0.929 212 S CB -0.225 62.856 63.200 -0.199 0.000 0.769 212 S HN 0.564 nan 8.310 nan 0.000 0.529 213 C N 1.401 120.337 119.300 -0.606 0.000 2.638 213 C HA 0.670 5.130 4.460 0.000 0.000 0.282 213 C C 0.507 175.116 174.990 -0.634 0.000 1.473 213 C CA -0.362 58.174 59.018 -0.803 0.000 1.781 213 C CB -1.652 25.882 27.740 -0.345 0.000 2.780 213 C HN 0.529 nan 8.230 nan 0.000 0.531 214 T N -3.385 110.824 114.554 -0.575 0.000 2.900 214 T HA 0.444 4.794 4.350 0.000 0.000 0.303 214 T C 0.213 174.983 174.700 0.117 0.000 1.142 214 T CA -0.555 61.488 62.100 -0.095 0.000 1.007 214 T CB 1.613 70.431 68.868 -0.084 0.000 1.156 214 T HN 0.204 nan 8.240 nan 0.000 0.490 215 K N -0.277 120.322 120.400 0.331 0.000 2.217 215 K HA 0.148 4.468 4.320 0.000 0.000 0.202 215 K C -0.163 176.640 176.600 0.337 0.000 1.051 215 K CA 0.666 57.169 56.287 0.359 0.000 0.952 215 K CB 0.156 32.805 32.500 0.248 0.000 0.736 215 K HN 0.666 nan 8.250 nan 0.000 0.453 216 W N 0.707 122.022 121.300 0.025 0.000 3.319 216 W HA 0.171 4.831 4.660 -0.000 0.000 0.300 216 W C -2.226 174.272 176.519 -0.035 0.000 1.244 216 W CA -0.911 56.432 57.345 -0.004 0.000 1.193 216 W CB 0.861 30.323 29.460 0.005 0.000 1.359 216 W HN 0.014 nan 8.180 nan 0.000 0.568 217 N N 2.637 120.874 118.700 -0.773 0.000 2.708 217 N HA 0.761 5.501 4.740 0.000 0.000 0.257 217 N C -2.307 172.511 175.510 -1.154 0.000 1.373 217 N CA -0.637 51.941 53.050 -0.786 0.000 0.843 217 N CB 2.206 40.458 38.487 -0.393 0.000 1.503 217 N HN 0.732 nan 8.380 nan 0.000 0.504 218 V N -0.519 118.925 119.914 -0.783 0.000 3.225 218 V HA 0.612 4.732 4.120 0.000 0.000 0.293 218 V C -1.720 174.213 176.094 -0.268 0.000 1.405 218 V CA -0.879 61.079 62.300 -0.570 0.000 1.038 218 V CB 2.164 33.584 31.823 -0.671 0.000 1.123 218 V HN 0.911 nan 8.190 nan 0.000 0.447 219 M N 4.850 124.357 119.600 -0.155 0.000 2.181 219 M HA 0.583 5.063 4.480 0.000 0.000 0.323 219 M C -1.287 175.003 176.300 -0.017 0.000 1.004 219 M CA -0.683 54.575 55.300 -0.071 0.000 0.941 219 M CB 1.551 34.114 32.600 -0.062 0.000 1.579 219 M HN 0.584 nan 8.290 nan 0.000 0.427 220 V N 6.838 126.767 119.914 0.026 0.000 2.479 220 V HA 0.061 4.181 4.120 0.000 0.000 0.281 220 V C 1.104 177.223 176.094 0.043 0.000 1.031 220 V CA -0.000 62.336 62.300 0.060 0.000 1.038 220 V CB 0.376 32.258 31.823 0.097 0.000 0.981 220 V HN 0.860 nan 8.190 nan 0.000 0.478 221 K N 2.721 123.147 120.400 0.043 0.000 2.243 221 K HA 0.095 4.415 4.320 0.000 0.000 0.201 221 K C 0.814 177.437 176.600 0.038 0.000 1.051 221 K CA 0.746 57.054 56.287 0.034 0.000 0.970 221 K CB 0.307 32.827 32.500 0.032 0.000 0.755 221 K HN 0.828 nan 8.250 nan 0.000 0.465 222 S N -1.636 114.094 115.700 0.050 0.000 2.570 222 S HA 0.206 4.676 4.470 0.000 0.000 0.270 222 S C 0.640 175.277 174.600 0.061 0.000 1.149 222 S CA -0.688 57.541 58.200 0.049 0.000 0.837 222 S CB 1.733 64.961 63.200 0.047 0.000 1.124 222 S HN -0.180 nan 8.310 nan 0.000 0.465 223 V N 1.220 121.167 119.914 0.055 0.000 2.594 223 V HA -0.096 4.024 4.120 0.000 0.000 0.253 223 V C 2.118 178.262 176.094 0.083 0.000 1.069 223 V CA 2.527 64.864 62.300 0.062 0.000 1.082 223 V CB -1.113 30.738 31.823 0.046 0.000 0.680 223 V HN 0.942 nan 8.190 nan 0.000 0.469 224 E N 1.053 121.301 120.200 0.079 0.000 2.130 224 E HA -0.246 4.104 4.350 0.000 0.000 0.196 224 E C 1.989 178.652 176.600 0.105 0.000 0.998 224 E CA 1.872 58.326 56.400 0.090 0.000 0.806 224 E CB -0.224 29.518 29.700 0.071 0.000 0.738 224 E HN 0.960 nan 8.360 nan 0.000 0.459 225 E N 0.012 120.274 120.200 0.103 0.000 2.474 225 E HA 0.014 4.364 4.350 0.000 0.000 0.195 225 E C 1.610 178.298 176.600 0.147 0.000 1.039 225 E CA -0.121 56.351 56.400 0.119 0.000 0.881 225 E CB -0.012 29.755 29.700 0.111 0.000 0.970 225 E HN 0.112 nan 8.360 nan 0.000 0.486 226 L N 2.118 123.428 121.223 0.145 0.000 2.012 226 L HA -0.046 4.294 4.340 0.000 0.000 0.210 226 L C -0.774 176.214 176.870 0.198 0.000 1.073 226 L CA 1.994 56.935 54.840 0.169 0.000 0.748 226 L CB -0.882 41.258 42.059 0.134 0.000 0.891 226 L HN 0.040 nan 8.230 nan 0.000 0.431 227 P HA -0.156 nan 4.420 nan 0.000 0.217 227 P C 1.930 179.343 177.300 0.187 0.000 1.150 227 P CA 1.155 64.383 63.100 0.213 0.000 0.832 227 P CB -0.112 31.756 31.700 0.280 0.000 0.787 228 L N -0.454 120.871 121.223 0.170 0.000 1.994 228 L HA -0.137 4.203 4.340 0.000 0.000 0.208 228 L C 2.165 179.156 176.870 0.202 0.000 1.071 228 L CA 2.040 56.973 54.840 0.154 0.000 0.745 228 L CB -0.845 41.295 42.059 0.134 0.000 0.892 228 L HN -0.221 nan 8.230 nan 0.000 0.431 229 R N -0.001 120.650 120.500 0.252 0.000 2.120 229 R HA -0.035 4.305 4.340 0.000 0.000 0.234 229 R C 2.313 178.851 176.300 0.397 0.000 1.123 229 R CA 1.710 58.022 56.100 0.352 0.000 0.975 229 R CB -1.027 29.464 30.300 0.318 0.000 0.866 229 R HN 0.492 nan 8.270 nan 0.000 0.446 230 I N 1.304 122.100 120.570 0.378 0.000 2.252 230 I HA -0.251 3.919 4.170 0.000 0.000 0.245 230 I C 1.665 178.045 176.117 0.438 0.000 1.102 230 I CA 1.076 62.665 61.300 0.483 0.000 1.385 230 I CB -0.325 37.913 38.000 0.396 0.000 1.064 230 I HN 0.122 nan 8.210 nan 0.000 0.414 231 N N 0.879 119.740 118.700 0.268 0.000 2.188 231 N HA -0.167 4.573 4.740 0.000 0.000 0.184 231 N C 1.683 177.294 175.510 0.168 0.000 1.018 231 N CA 1.252 54.416 53.050 0.189 0.000 0.858 231 N CB -0.221 38.328 38.487 0.104 0.000 0.989 231 N HN 0.472 nan 8.380 nan 0.000 0.426 232 E N 0.878 121.153 120.200 0.125 0.000 2.106 232 E HA -0.043 4.307 4.350 0.000 0.000 0.192 232 E C 1.985 178.560 176.600 -0.041 0.000 0.984 232 E CA 0.893 57.259 56.400 -0.057 0.000 0.806 232 E CB -0.050 29.521 29.700 -0.215 0.000 0.750 232 E HN 0.320 nan 8.360 nan 0.000 0.458 233 A N 1.069 124.025 122.820 0.227 0.000 1.858 233 A HA -0.181 4.139 4.320 0.000 0.000 0.216 233 A C 1.921 179.555 177.584 0.083 0.000 1.190 233 A CA 1.260 53.448 52.037 0.251 0.000 0.617 233 A CB -0.855 18.286 19.000 0.235 0.000 0.827 233 A HN 0.170 nan 8.150 nan 0.000 0.443 234 F N -0.116 119.885 119.950 0.086 0.000 2.171 234 F HA -0.114 4.413 4.527 0.000 0.000 0.300 234 F C 2.389 178.204 175.800 0.024 0.000 1.090 234 F CA 1.738 59.773 58.000 0.059 0.000 1.293 234 F CB -0.255 38.785 39.000 0.068 0.000 1.013 234 F HN 0.390 nan 8.300 nan 0.000 0.486 235 E N 0.621 120.924 120.200 0.172 0.000 2.051 235 E HA -0.206 4.144 4.350 0.000 0.000 0.192 235 E C 2.299 178.902 176.600 0.006 0.000 0.991 235 E CA 1.466 57.905 56.400 0.065 0.000 0.799 235 E CB -0.228 29.479 29.700 0.013 0.000 0.748 235 E HN 0.381 nan 8.360 nan 0.000 0.449 236 I N 0.786 121.329 120.570 -0.045 0.000 2.226 236 I HA -0.242 3.928 4.170 0.000 0.000 0.245 236 I C 2.522 178.636 176.117 -0.005 0.000 1.100 236 I CA 0.955 62.216 61.300 -0.065 0.000 1.374 236 I CB -0.275 37.640 38.000 -0.141 0.000 1.057 236 I HN 0.168 nan 8.210 nan 0.000 0.413 237 A N 0.544 123.366 122.820 0.004 0.000 1.972 237 A HA -0.189 4.131 4.320 0.000 0.000 0.219 237 A C 2.280 179.867 177.584 0.005 0.000 1.169 237 A CA 2.206 54.240 52.037 -0.005 0.000 0.635 237 A CB -0.954 18.000 19.000 -0.077 0.000 0.810 237 A HN 0.521 nan 8.150 nan 0.000 0.446 238 T N -2.248 112.322 114.554 0.025 0.000 3.086 238 T HA 0.261 4.611 4.350 0.000 0.000 0.250 238 T C 0.789 175.503 174.700 0.023 0.000 1.074 238 T CA 0.520 62.641 62.100 0.035 0.000 0.988 238 T CB -0.429 68.482 68.868 0.071 0.000 0.988 238 T HN 0.542 nan 8.240 nan 0.000 0.530 239 S N -0.330 115.376 115.700 0.012 0.000 2.747 239 S HA 0.770 5.240 4.470 0.000 0.000 0.300 239 S C 1.135 175.735 174.600 -0.001 0.000 1.121 239 S CA -0.235 57.968 58.200 0.006 0.000 0.995 239 S CB 0.968 64.166 63.200 -0.003 0.000 1.113 239 S HN 0.922 nan 8.310 nan 0.000 0.547 240 G N 1.456 110.256 108.800 0.000 0.000 2.652 240 G HA2 -0.335 3.625 3.960 0.000 0.000 0.318 240 G HA3 -0.335 3.625 3.960 0.000 0.000 0.318 240 G C -0.070 174.825 174.900 -0.009 0.000 1.295 240 G CA 0.580 45.677 45.100 -0.005 0.000 0.999 240 G HN 1.045 nan 8.290 nan 0.000 0.548 241 R N 1.792 122.277 120.500 -0.025 0.000 2.216 241 R HA 0.451 4.791 4.340 0.000 0.000 0.332 241 R C -2.259 174.016 176.300 -0.042 0.000 1.056 241 R CA -1.471 54.605 56.100 -0.040 0.000 0.901 241 R CB 0.705 30.962 30.300 -0.072 0.000 1.039 241 R HN 0.261 nan 8.270 nan 0.000 0.456 242 P HA 0.140 nan 4.420 nan 0.000 0.269 242 P C -0.573 176.706 177.300 -0.036 0.000 1.217 242 P CA 0.018 63.107 63.100 -0.019 0.000 0.783 242 P CB 0.914 32.609 31.700 -0.008 0.000 0.898 243 G N 0.625 109.420 108.800 -0.008 0.000 2.495 243 G HA2 0.493 4.453 3.960 0.000 0.000 0.294 243 G HA3 0.493 4.453 3.960 0.000 0.000 0.294 243 G C -3.321 171.611 174.900 0.052 0.000 1.397 243 G CA -0.905 44.204 45.100 0.015 0.000 0.790 243 G HN 0.277 nan 8.290 nan 0.000 0.486 244 P HA 0.556 nan 4.420 nan 0.000 0.284 244 P C -0.417 176.917 177.300 0.057 0.000 1.258 244 P CA -0.449 62.681 63.100 0.050 0.000 0.824 244 P CB 1.956 33.689 31.700 0.055 0.000 1.038 245 V N 0.325 120.225 119.914 -0.022 0.000 3.007 245 V HA 0.699 4.819 4.120 0.000 0.000 0.311 245 V C -1.045 174.967 176.094 -0.135 0.000 1.120 245 V CA -1.161 61.137 62.300 -0.003 0.000 0.980 245 V CB 2.003 33.885 31.823 0.100 0.000 1.033 245 V HN 0.509 nan 8.190 nan 0.000 0.429 246 L N 3.141 124.262 121.223 -0.170 0.000 2.385 246 L HA 0.869 5.209 4.340 0.000 0.000 0.273 246 L C -1.315 175.396 176.870 -0.264 0.000 0.990 246 L CA -0.612 54.090 54.840 -0.230 0.000 0.821 246 L CB 2.055 44.003 42.059 -0.185 0.000 1.279 246 L HN 0.687 nan 8.230 nan 0.000 0.412 247 V N 3.485 123.244 119.914 -0.257 0.000 2.350 247 V HA 0.316 4.436 4.120 0.000 0.000 0.285 247 V C -0.709 175.390 176.094 0.010 0.000 1.014 247 V CA -0.567 61.664 62.300 -0.115 0.000 0.831 247 V CB 1.429 33.249 31.823 -0.004 0.000 1.000 247 V HN 0.663 nan 8.190 nan 0.000 0.433 248 D N 4.346 124.732 120.400 -0.025 0.000 2.312 248 D HA 0.455 5.095 4.640 0.000 0.000 0.252 248 D C -0.505 175.822 176.300 0.045 0.000 1.150 248 D CA 0.097 54.095 54.000 -0.002 0.000 0.870 248 D CB 1.139 41.910 40.800 -0.050 0.000 1.153 248 D HN 0.416 nan 8.370 nan 0.000 0.457 249 L N 5.845 127.100 121.223 0.053 0.000 2.337 249 L HA 0.373 4.713 4.340 0.000 0.000 0.269 249 L C -2.223 174.656 176.870 0.015 0.000 1.018 249 L CA -1.949 52.918 54.840 0.046 0.000 0.876 249 L CB 1.659 43.741 42.059 0.039 0.000 1.236 249 L HN 0.172 nan 8.230 nan 0.000 0.436 250 P HA -0.017 nan 4.420 nan 0.000 0.265 250 P C 0.541 177.843 177.300 0.003 0.000 1.193 250 P CA -0.001 63.102 63.100 0.005 0.000 0.765 250 P CB 0.850 32.555 31.700 0.008 0.000 0.823 251 K N 3.693 124.093 120.400 0.001 0.000 2.113 251 K HA -0.226 4.094 4.320 0.000 0.000 0.208 251 K C 1.212 177.814 176.600 0.002 0.000 1.047 251 K CA 1.965 58.252 56.287 0.000 0.000 0.928 251 K CB -0.191 32.312 32.500 0.005 0.000 0.716 251 K HN 0.518 nan 8.250 nan 0.000 0.446 252 D N -0.172 120.232 120.400 0.006 0.000 2.224 252 D HA -0.111 4.529 4.640 0.000 0.000 0.205 252 D C 1.839 178.145 176.300 0.009 0.000 0.965 252 D CA 0.670 54.675 54.000 0.007 0.000 0.852 252 D CB -0.216 40.590 40.800 0.009 0.000 0.947 252 D HN 0.129 nan 8.370 nan 0.000 0.494 253 V N 1.570 121.491 119.914 0.012 0.000 2.379 253 V HA -0.181 3.939 4.120 0.000 0.000 0.245 253 V C 2.872 178.973 176.094 0.012 0.000 1.044 253 V CA 2.220 64.531 62.300 0.019 0.000 1.036 253 V CB -0.716 31.124 31.823 0.028 0.000 0.664 253 V HN 0.471 nan 8.190 nan 0.000 0.453 254 T N -1.466 113.088 114.554 -0.000 0.000 2.985 254 T HA 0.032 4.382 4.350 0.000 0.000 0.266 254 T C 1.741 176.432 174.700 -0.015 0.000 1.076 254 T CA 1.182 63.273 62.100 -0.016 0.000 1.135 254 T CB -0.169 68.670 68.868 -0.047 0.000 0.890 254 T HN 0.408 nan 8.240 nan 0.000 0.480 255 A N 1.377 124.192 122.820 -0.008 0.000 2.132 255 A HA 0.718 5.038 4.320 0.000 0.000 0.213 255 A C 1.587 179.170 177.584 -0.002 0.000 1.154 255 A CA 0.309 52.342 52.037 -0.007 0.000 0.753 255 A CB -0.793 18.204 19.000 -0.004 0.000 0.826 255 A HN 0.769 nan 8.150 nan 0.000 0.469 256 A N -0.098 122.723 122.820 0.003 0.000 2.483 256 A HA 0.493 4.813 4.320 0.000 0.000 0.238 256 A C -0.017 177.572 177.584 0.008 0.000 1.070 256 A CA 0.044 52.086 52.037 0.008 0.000 0.770 256 A CB -0.140 18.870 19.000 0.015 0.000 1.008 256 A HN 0.382 nan 8.150 nan 0.000 0.497 257 I N 1.616 122.193 120.570 0.012 0.000 2.359 257 I HA 0.168 4.338 4.170 0.000 0.000 0.294 257 I C -0.148 175.984 176.117 0.026 0.000 0.987 257 I CA -0.637 60.671 61.300 0.014 0.000 1.225 257 I CB 1.521 39.529 38.000 0.013 0.000 1.366 257 I HN 0.617 nan 8.210 nan 0.000 0.466 258 L N 7.770 129.014 121.223 0.035 0.000 2.433 258 L HA 0.191 4.531 4.340 0.000 0.000 0.275 258 L C 0.619 177.521 176.870 0.054 0.000 1.128 258 L CA 0.766 55.640 54.840 0.056 0.000 0.875 258 L CB -0.175 41.938 42.059 0.090 0.000 1.171 258 L HN 0.547 nan 8.230 nan 0.000 0.463 259 R N 3.422 123.950 120.500 0.046 0.000 2.577 259 R HA 0.354 4.694 4.340 0.000 0.000 0.344 259 R C -0.613 175.710 176.300 0.038 0.000 1.037 259 R CA -0.260 55.863 56.100 0.039 0.000 1.102 259 R CB 0.168 30.486 30.300 0.029 0.000 1.313 259 R HN 0.628 nan 8.270 nan 0.000 0.561 260 N N 0.899 119.626 118.700 0.046 0.000 2.235 260 N HA 0.332 5.072 4.740 0.000 0.000 0.293 260 N C -2.895 172.643 175.510 0.047 0.000 1.083 260 N CA -1.646 51.428 53.050 0.041 0.000 0.801 260 N CB 2.535 41.045 38.487 0.039 0.000 1.559 260 N HN -0.231 nan 8.380 nan 0.000 0.472 261 P HA 0.325 nan 4.420 nan 0.000 0.272 261 P C -0.477 176.841 177.300 0.030 0.000 1.230 261 P CA -0.175 62.941 63.100 0.027 0.000 0.788 261 P CB 0.702 32.410 31.700 0.013 0.000 0.949 262 I N -3.062 117.520 120.570 0.021 0.000 2.865 262 I HA 0.602 4.772 4.170 0.000 0.000 0.302 262 I C -2.916 173.201 176.117 0.001 0.000 1.140 262 I CA -3.598 57.717 61.300 0.026 0.000 1.021 262 I CB 2.226 40.260 38.000 0.056 0.000 1.233 262 I HN 0.030 nan 8.210 nan 0.000 0.427 263 P HA 0.045 nan 4.420 nan 0.000 0.260 263 P C 0.531 177.818 177.300 -0.021 0.000 1.172 263 P CA 0.321 63.419 63.100 -0.003 0.000 0.760 263 P CB 0.591 32.297 31.700 0.010 0.000 0.773 264 T N 3.430 117.962 114.554 -0.037 0.000 2.759 264 T HA -0.211 4.139 4.350 0.000 0.000 0.269 264 T C 1.555 176.229 174.700 -0.043 0.000 1.042 264 T CA 1.683 63.748 62.100 -0.059 0.000 1.140 264 T CB -0.348 68.487 68.868 -0.055 0.000 0.864 264 T HN 0.576 nan 8.240 nan 0.000 0.455 265 K N 1.493 121.880 120.400 -0.023 0.000 2.147 265 K HA -0.119 4.201 4.320 0.000 0.000 0.205 265 K C 2.316 178.916 176.600 -0.000 0.000 1.049 265 K CA 1.792 58.072 56.287 -0.012 0.000 0.936 265 K CB -0.852 31.645 32.500 -0.005 0.000 0.722 265 K HN 0.474 nan 8.250 nan 0.000 0.446 266 T N -1.019 113.541 114.554 0.010 0.000 2.995 266 T HA -0.090 4.260 4.350 0.000 0.000 0.269 266 T C 2.015 176.742 174.700 0.045 0.000 1.091 266 T CA 1.319 63.440 62.100 0.036 0.000 1.128 266 T CB -0.473 68.427 68.868 0.053 0.000 0.891 266 T HN 0.484 nan 8.240 nan 0.000 0.492 267 T N -0.636 113.921 114.554 0.006 0.000 3.044 267 T HA 0.388 4.738 4.350 0.000 0.000 0.250 267 T C 0.500 175.192 174.700 -0.013 0.000 1.081 267 T CA -0.424 61.675 62.100 -0.002 0.000 1.040 267 T CB -0.368 68.410 68.868 -0.151 0.000 0.962 267 T HN 0.370 nan 8.240 nan 0.000 0.506 268 L N 2.601 123.813 121.223 -0.018 0.000 2.272 268 L HA 0.487 4.827 4.340 0.000 0.000 0.289 268 L C -2.131 174.735 176.870 -0.006 0.000 1.032 268 L CA -2.479 52.349 54.840 -0.020 0.000 0.810 268 L CB 1.194 43.235 42.059 -0.029 0.000 1.205 268 L HN 0.003 nan 8.230 nan 0.000 0.422 278 S N 1.413 117.123 115.700 0.017 0.000 2.533 278 S HA 0.307 4.777 4.470 0.000 0.000 0.282 278 S C 1.450 176.064 174.600 0.025 0.000 1.304 278 S CA 0.246 58.455 58.200 0.016 0.000 1.063 278 S CB 0.941 64.147 63.200 0.011 0.000 0.881 278 S HN 0.546 nan 8.310 nan 0.000 0.493 279 R N 3.635 124.148 120.500 0.021 0.000 2.092 279 R HA -0.079 4.261 4.340 0.000 0.000 0.231 279 R C 2.148 178.470 176.300 0.037 0.000 1.119 279 R CA 1.535 57.651 56.100 0.026 0.000 0.970 279 R CB -0.650 29.662 30.300 0.020 0.000 0.864 279 R HN 0.783 nan 8.270 nan 0.000 0.440 280 A N 0.407 123.247 122.820 0.033 0.000 1.898 280 A HA -0.192 4.128 4.320 0.000 0.000 0.216 280 A C 2.032 179.667 177.584 0.084 0.000 1.181 280 A CA 1.321 53.384 52.037 0.044 0.000 0.620 280 A CB -0.455 18.553 19.000 0.013 0.000 0.819 280 A HN 0.380 nan 8.150 nan 0.000 0.442 281 Q N 0.443 120.285 119.800 0.071 0.000 2.079 281 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 281 Q C 1.402 177.499 176.000 0.161 0.000 0.974 281 Q CA 2.089 57.966 55.803 0.122 0.000 0.840 281 Q CB -0.345 28.435 28.738 0.069 0.000 0.898 281 Q HN 0.621 nan 8.270 nan 0.000 0.430 282 D N 0.197 120.653 120.400 0.093 0.000 2.097 282 D HA -0.168 4.472 4.640 0.000 0.000 0.195 282 D C 1.600 177.937 176.300 0.062 0.000 0.989 282 D CA 1.413 55.453 54.000 0.067 0.000 0.827 282 D CB -0.051 40.775 40.800 0.044 0.000 0.966 282 D HN 0.515 nan 8.370 nan 0.000 0.456 283 E N -0.355 119.890 120.200 0.074 0.000 2.204 283 E HA -0.140 4.210 4.350 0.000 0.000 0.194 283 E C 1.868 178.514 176.600 0.076 0.000 0.989 283 E CA 0.238 56.675 56.400 0.060 0.000 0.824 283 E CB -0.129 29.608 29.700 0.062 0.000 0.756 283 E HN 0.235 nan 8.360 nan 0.000 0.477 284 F N 1.159 121.102 119.950 -0.011 0.000 2.113 284 F HA -0.163 4.364 4.527 0.000 0.000 0.297 284 F C 2.038 177.823 175.800 -0.024 0.000 1.103 284 F CA 0.926 58.916 58.000 -0.018 0.000 1.248 284 F CB -0.300 38.689 39.000 -0.019 0.000 0.999 284 F HN -0.230 nan 8.300 nan 0.000 0.475 285 V N 0.462 120.297 119.914 -0.131 0.000 2.343 285 V HA -0.320 3.800 4.120 0.000 0.000 0.247 285 V C 2.408 178.375 176.094 -0.211 0.000 1.051 285 V CA 2.058 64.225 62.300 -0.221 0.000 1.036 285 V CB -0.709 31.090 31.823 -0.040 0.000 0.654 285 V HN 0.437 nan 8.190 nan 0.000 0.451 286 M N -0.214 119.317 119.600 -0.114 0.000 2.159 286 M HA -0.183 4.297 4.480 0.000 0.000 0.263 286 M C 2.087 178.313 176.300 -0.123 0.000 1.063 286 M CA 1.727 56.977 55.300 -0.084 0.000 1.110 286 M CB -0.701 31.878 32.600 -0.034 0.000 1.374 286 M HN 0.330 nan 8.290 nan 0.000 0.411 287 Q N -1.013 118.685 119.800 -0.169 0.000 2.079 287 Q HA -0.144 4.196 4.340 0.000 0.000 0.200 287 Q C 2.095 177.951 176.000 -0.239 0.000 0.974 287 Q CA 2.031 57.731 55.803 -0.172 0.000 0.840 287 Q CB -0.235 28.404 28.738 -0.165 0.000 0.898 287 Q HN 0.763 nan 8.270 nan 0.000 0.430 288 S N 0.193 115.655 115.700 -0.396 0.000 2.402 288 S HA -0.094 4.376 4.470 0.000 0.000 0.229 288 S C 1.899 176.347 174.600 -0.253 0.000 1.021 288 S CA 0.656 58.630 58.200 -0.376 0.000 0.974 288 S CB -0.356 62.526 63.200 -0.530 0.000 0.800 288 S HN 0.287 nan 8.310 nan 0.000 0.484 289 I N 2.281 122.730 120.570 -0.202 0.000 2.252 289 I HA -0.150 4.020 4.170 0.000 0.000 0.245 289 I C 2.312 178.384 176.117 -0.076 0.000 1.102 289 I CA 1.040 62.275 61.300 -0.109 0.000 1.385 289 I CB -0.513 37.459 38.000 -0.048 0.000 1.064 289 I HN 0.317 nan 8.210 nan 0.000 0.414 290 N N 1.176 119.825 118.700 -0.084 0.000 2.166 290 N HA -0.156 4.584 4.740 0.000 0.000 0.186 290 N C 1.745 177.208 175.510 -0.078 0.000 1.019 290 N CA 1.202 54.212 53.050 -0.067 0.000 0.856 290 N CB -0.192 38.262 38.487 -0.055 0.000 0.993 290 N HN 0.373 nan 8.380 nan 0.000 0.426 291 K N 0.840 121.183 120.400 -0.095 0.000 2.057 291 K HA 0.008 4.328 4.320 0.000 0.000 0.207 291 K C 2.089 178.640 176.600 -0.082 0.000 1.049 291 K CA 1.146 57.381 56.287 -0.088 0.000 0.931 291 K CB -0.108 32.331 32.500 -0.102 0.000 0.714 291 K HN 0.110 nan 8.250 nan 0.000 0.440 292 A N 1.615 124.380 122.820 -0.091 0.000 1.877 292 A HA -0.148 4.172 4.320 0.000 0.000 0.216 292 A C 2.394 179.962 177.584 -0.026 0.000 1.186 292 A CA 1.943 53.947 52.037 -0.055 0.000 0.620 292 A CB -0.762 18.198 19.000 -0.067 0.000 0.822 292 A HN 0.341 nan 8.150 nan 0.000 0.443 293 A N 0.119 122.914 122.820 -0.041 0.000 1.883 293 A HA -0.226 4.094 4.320 0.000 0.000 0.217 293 A C 1.787 179.275 177.584 -0.161 0.000 1.186 293 A CA 2.016 54.002 52.037 -0.085 0.000 0.624 293 A CB -0.725 18.218 19.000 -0.095 0.000 0.822 293 A HN 0.478 nan 8.150 nan 0.000 0.444 294 D N -0.058 120.256 120.400 -0.144 0.000 2.104 294 D HA -0.152 4.488 4.640 0.000 0.000 0.194 294 D C 1.933 178.162 176.300 -0.119 0.000 0.994 294 D CA 1.018 54.926 54.000 -0.154 0.000 0.830 294 D CB -0.431 40.314 40.800 -0.092 0.000 0.959 294 D HN 0.409 nan 8.370 nan 0.000 0.452 295 L N 0.469 121.646 121.223 -0.076 0.000 2.046 295 L HA -0.146 4.194 4.340 0.000 0.000 0.208 295 L C 2.464 179.306 176.870 -0.046 0.000 1.077 295 L CA 0.828 55.639 54.840 -0.048 0.000 0.747 295 L CB -0.197 41.847 42.059 -0.026 0.000 0.896 295 L HN 0.052 nan 8.230 nan 0.000 0.432 296 I N -0.201 120.342 120.570 -0.046 0.000 2.226 296 I HA -0.302 3.868 4.170 0.000 0.000 0.245 296 I C 1.908 177.987 176.117 -0.063 0.000 1.100 296 I CA 0.985 62.268 61.300 -0.030 0.000 1.374 296 I CB -0.417 37.579 38.000 -0.006 0.000 1.057 296 I HN 0.342 nan 8.210 nan 0.000 0.413 297 N N 1.112 119.721 118.700 -0.153 0.000 2.443 297 N HA -0.117 4.623 4.740 0.000 0.000 0.184 297 N C 1.499 176.977 175.510 -0.053 0.000 1.037 297 N CA 1.074 54.008 53.050 -0.193 0.000 0.896 297 N CB -0.098 38.021 38.487 -0.613 0.000 0.959 297 N HN 0.401 nan 8.380 nan 0.000 0.442 298 L N -2.969 118.225 121.223 -0.048 0.000 2.693 298 L HA 0.542 4.882 4.340 0.000 0.000 0.235 298 L C 0.626 177.481 176.870 -0.025 0.000 1.127 298 L CA -0.476 54.355 54.840 -0.015 0.000 0.914 298 L CB -0.393 41.657 42.059 -0.016 0.000 1.193 298 L HN -0.202 nan 8.230 nan 0.000 0.502 299 A N 0.646 123.446 122.820 -0.032 0.000 2.425 299 A HA 0.461 4.781 4.320 0.000 0.000 0.249 299 A C 1.025 178.566 177.584 -0.071 0.000 1.084 299 A CA -0.190 51.815 52.037 -0.054 0.000 0.781 299 A CB 0.423 19.399 19.000 -0.039 0.000 1.019 299 A HN 0.241 nan 8.150 nan 0.000 0.490 300 K N 0.780 121.098 120.400 -0.137 0.000 2.365 300 K HA 0.117 4.437 4.320 0.000 0.000 0.195 300 K C -0.078 176.304 176.600 -0.363 0.000 1.079 300 K CA 0.943 57.130 56.287 -0.167 0.000 0.979 300 K CB 0.423 32.836 32.500 -0.145 0.000 0.929 300 K HN 0.710 nan 8.250 nan 0.000 0.523 301 K N 2.008 122.060 120.400 -0.581 0.000 3.084 301 K HA 0.228 4.548 4.320 0.000 0.000 0.172 301 K C -2.687 173.519 176.600 -0.657 0.000 1.078 301 K CA -1.344 54.115 56.287 -1.380 0.000 0.875 301 K CB 1.739 33.210 32.500 -1.714 0.000 1.064 301 K HN -0.014 nan 8.250 nan 0.000 0.597 302 P HA 0.180 nan 4.420 nan 0.000 0.277 302 P C -0.406 177.096 177.300 0.336 0.000 1.240 302 P CA -0.352 62.810 63.100 0.105 0.000 0.798 302 P CB 1.663 33.429 31.700 0.111 0.000 0.979 303 V N 3.272 123.324 119.914 0.230 0.000 2.668 303 V HA 0.255 4.375 4.120 0.000 0.000 0.304 303 V C 0.129 176.306 176.094 0.139 0.000 1.071 303 V CA -0.627 61.802 62.300 0.215 0.000 0.894 303 V CB 1.977 33.932 31.823 0.221 0.000 1.008 303 V HN 0.415 nan 8.190 nan 0.000 0.425 304 L N 4.950 126.219 121.223 0.076 0.000 2.265 304 L HA 0.444 4.784 4.340 0.000 0.000 0.288 304 L C -0.952 175.958 176.870 0.066 0.000 1.058 304 L CA -0.522 54.342 54.840 0.039 0.000 0.809 304 L CB 0.822 42.844 42.059 -0.060 0.000 1.179 304 L HN 0.746 nan 8.230 nan 0.000 0.429 305 Y N 5.471 125.743 120.300 -0.047 0.000 2.587 305 Y HA 0.510 5.060 4.550 -0.000 0.000 0.328 305 Y C -0.923 174.923 175.900 -0.089 0.000 0.980 305 Y CA -1.201 56.850 58.100 -0.081 0.000 1.272 305 Y CB 0.632 39.035 38.460 -0.094 0.000 1.094 305 Y HN 0.185 nan 8.280 nan 0.000 0.503 306 V N 5.920 125.744 119.914 -0.150 0.000 2.481 306 V HA 0.842 4.962 4.120 0.000 0.000 0.286 306 V C 0.600 176.557 176.094 -0.229 0.000 1.042 306 V CA 0.060 62.232 62.300 -0.214 0.000 0.928 306 V CB 1.026 32.776 31.823 -0.120 0.000 0.986 306 V HN 0.924 nan 8.190 nan 0.000 0.462 307 G N 1.765 110.420 108.800 -0.242 0.000 3.211 307 G HA2 0.580 4.540 3.960 0.000 0.000 0.262 307 G HA3 0.580 4.540 3.960 0.000 0.000 0.262 307 G C 0.859 175.695 174.900 -0.107 0.000 1.352 307 G CA 0.008 44.999 45.100 -0.181 0.000 1.004 307 G HN 0.851 nan 8.290 nan 0.000 0.559 308 A N -0.798 121.971 122.820 -0.085 0.000 1.986 308 A HA 0.038 4.358 4.320 0.000 0.000 0.220 308 A C 2.527 180.093 177.584 -0.030 0.000 1.171 308 A CA 2.633 54.638 52.037 -0.055 0.000 0.640 308 A CB -1.107 17.861 19.000 -0.053 0.000 0.811 308 A HN 1.348 nan 8.150 nan 0.000 0.451 309 G N -0.192 108.586 108.800 -0.036 0.000 2.450 309 G HA2 -0.219 3.741 3.960 0.000 0.000 0.220 309 G HA3 -0.219 3.741 3.960 0.000 0.000 0.220 309 G C 1.387 176.291 174.900 0.007 0.000 1.130 309 G CA 1.194 46.288 45.100 -0.009 0.000 0.760 309 G HN 0.507 nan 8.290 nan 0.000 0.557 310 I N 0.399 120.958 120.570 -0.017 0.000 2.614 310 I HA 0.056 4.226 4.170 0.000 0.000 0.258 310 I C 2.198 178.333 176.117 0.031 0.000 1.189 310 I CA 0.634 61.929 61.300 -0.009 0.000 1.462 310 I CB 0.020 37.998 38.000 -0.036 0.000 1.092 310 I HN 0.114 nan 8.210 nan 0.000 0.442 311 L N -0.476 120.762 121.223 0.025 0.000 2.558 311 L HA 0.062 4.402 4.340 0.000 0.000 0.225 311 L C 1.326 178.324 176.870 0.214 0.000 1.128 311 L CA 0.396 55.270 54.840 0.057 0.000 0.868 311 L CB -0.651 41.379 42.059 -0.049 0.000 1.006 311 L HN 0.211 nan 8.230 nan 0.000 0.454 312 N N -1.060 117.723 118.700 0.140 0.000 2.434 312 N HA -0.042 4.698 4.740 0.000 0.000 0.196 312 N C -0.102 175.490 175.510 0.137 0.000 1.183 312 N CA 0.000 53.123 53.050 0.122 0.000 0.849 312 N CB 0.140 38.672 38.487 0.075 0.000 0.992 312 N HN 0.299 nan 8.380 nan 0.000 0.460 313 H N -1.505 117.612 119.070 0.078 0.000 2.865 313 H HA 0.398 4.954 4.556 0.000 0.000 0.362 313 H C 0.350 175.729 175.328 0.086 0.000 1.114 313 H CA -0.478 55.607 56.048 0.062 0.000 1.208 313 H CB 1.379 31.164 29.762 0.038 0.000 1.727 313 H HN -0.043 nan 8.280 nan 0.000 0.534 314 A N 2.691 125.520 122.820 0.015 0.000 1.940 314 A HA -0.174 4.146 4.320 0.000 0.000 0.219 314 A C 1.310 179.036 177.584 0.237 0.000 1.176 314 A CA 1.968 54.081 52.037 0.126 0.000 0.631 314 A CB -0.161 18.843 19.000 0.008 0.000 0.814 314 A HN 0.837 nan 8.150 nan 0.000 0.446 315 D N -0.710 119.960 120.400 0.450 0.000 2.339 315 D HA 0.121 4.761 4.640 0.000 0.000 0.217 315 D C 1.796 178.162 176.300 0.109 0.000 1.050 315 D CA 0.761 54.895 54.000 0.223 0.000 0.856 315 D CB -0.291 40.601 40.800 0.154 0.000 0.922 315 D HN 0.410 nan 8.370 nan 0.000 0.518 316 G N 2.605 111.490 108.800 0.143 0.000 2.545 316 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 316 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 316 G C -0.660 174.260 174.900 0.034 0.000 1.218 316 G CA 0.588 45.720 45.100 0.052 0.000 0.787 316 G HN 0.263 nan 8.290 nan 0.000 0.571 317 P HA -0.113 nan 4.420 nan 0.000 0.216 317 P C 1.904 179.239 177.300 0.058 0.000 1.153 317 P CA 1.500 64.634 63.100 0.057 0.000 0.858 317 P CB -0.094 31.629 31.700 0.039 0.000 0.789 318 R N -0.163 120.366 120.500 0.048 0.000 2.073 318 R HA -0.109 4.231 4.340 0.000 0.000 0.234 318 R C 2.193 178.513 176.300 0.033 0.000 1.134 318 R CA 1.455 57.578 56.100 0.039 0.000 0.952 318 R CB -0.958 29.367 30.300 0.041 0.000 0.850 318 R HN 0.149 nan 8.270 nan 0.000 0.433 319 L N 0.668 121.899 121.223 0.013 0.000 2.093 319 L HA -0.150 4.190 4.340 0.000 0.000 0.208 319 L C 2.445 179.314 176.870 -0.003 0.000 1.085 319 L CA 0.448 55.281 54.840 -0.011 0.000 0.755 319 L CB -0.411 41.613 42.059 -0.059 0.000 0.904 319 L HN 0.293 nan 8.230 nan 0.000 0.435 320 L N 0.272 121.502 121.223 0.013 0.000 2.046 320 L HA -0.235 4.105 4.340 0.000 0.000 0.208 320 L C 2.488 179.438 176.870 0.134 0.000 1.077 320 L CA 1.863 56.725 54.840 0.038 0.000 0.747 320 L CB -0.618 41.483 42.059 0.070 0.000 0.896 320 L HN 0.137 nan 8.230 nan 0.000 0.432 321 K N -0.510 119.990 120.400 0.167 0.000 2.057 321 K HA -0.239 4.081 4.320 0.000 0.000 0.206 321 K C 2.173 178.854 176.600 0.135 0.000 1.050 321 K CA 1.634 58.042 56.287 0.202 0.000 0.935 321 K CB -0.207 32.344 32.500 0.085 0.000 0.715 321 K HN 0.555 nan 8.250 nan 0.000 0.439 322 E N 0.467 120.714 120.200 0.079 0.000 2.085 322 E HA -0.219 4.131 4.350 0.000 0.000 0.194 322 E C 2.062 178.700 176.600 0.064 0.000 0.994 322 E CA 1.087 57.524 56.400 0.061 0.000 0.801 322 E CB -0.047 29.675 29.700 0.037 0.000 0.743 322 E HN 0.244 nan 8.360 nan 0.000 0.453 323 L N 0.505 121.757 121.223 0.049 0.000 2.056 323 L HA -0.120 4.220 4.340 0.000 0.000 0.207 323 L C 2.389 179.303 176.870 0.073 0.000 1.078 323 L CA 2.084 56.947 54.840 0.039 0.000 0.749 323 L CB -0.787 41.266 42.059 -0.010 0.000 0.901 323 L HN 0.043 nan 8.230 nan 0.000 0.433 324 S N -0.867 114.896 115.700 0.105 0.000 2.368 324 S HA -0.180 4.290 4.470 0.000 0.000 0.225 324 S C 1.686 176.388 174.600 0.171 0.000 1.030 324 S CA 1.551 59.837 58.200 0.142 0.000 0.999 324 S CB -0.394 62.934 63.200 0.214 0.000 0.844 324 S HN 0.609 nan 8.310 nan 0.000 0.459 325 D N 0.736 121.231 120.400 0.158 0.000 2.123 325 D HA -0.043 4.597 4.640 0.000 0.000 0.200 325 D C 2.165 178.529 176.300 0.106 0.000 0.976 325 D CA 0.710 54.792 54.000 0.137 0.000 0.831 325 D CB -0.439 40.426 40.800 0.109 0.000 0.974 325 D HN 0.398 nan 8.370 nan 0.000 0.469 326 R N 0.696 121.250 120.500 0.090 0.000 2.091 326 R HA -0.084 4.256 4.340 0.000 0.000 0.238 326 R C 1.499 177.850 176.300 0.085 0.000 1.136 326 R CA 1.644 57.791 56.100 0.078 0.000 0.959 326 R CB -0.011 30.330 30.300 0.069 0.000 0.856 326 R HN 0.094 nan 8.270 nan 0.000 0.437 327 A N -0.253 122.624 122.820 0.095 0.000 2.430 327 A HA 0.135 4.455 4.320 0.000 0.000 0.243 327 A C -0.242 177.418 177.584 0.128 0.000 1.254 327 A CA -0.286 51.811 52.037 0.100 0.000 0.914 327 A CB 0.577 19.630 19.000 0.088 0.000 0.998 327 A HN 0.380 nan 8.150 nan 0.000 0.515 328 Q N -0.423 119.467 119.800 0.151 0.000 2.453 328 Q HA -0.176 4.164 4.340 0.000 0.000 0.330 328 Q C -0.722 175.499 176.000 0.369 0.000 1.417 328 Q CA 0.995 56.938 55.803 0.233 0.000 0.902 328 Q CB -1.821 26.956 28.738 0.065 0.000 1.154 328 Q HN 0.749 nan 8.270 nan 0.000 0.395 329 I N 2.010 122.749 120.570 0.282 0.000 2.339 329 I HA 0.299 4.469 4.170 0.000 0.000 0.290 329 I C -1.680 174.521 176.117 0.140 0.000 0.994 329 I CA -2.127 59.323 61.300 0.251 0.000 1.191 329 I CB 1.630 39.721 38.000 0.152 0.000 1.343 329 I HN -0.073 nan 8.210 nan 0.000 0.458 330 P HA 0.085 nan 4.420 nan 0.000 0.269 330 P C -0.767 176.432 177.300 -0.169 0.000 1.215 330 P CA -0.075 62.947 63.100 -0.131 0.000 0.780 330 P CB 1.403 32.940 31.700 -0.272 0.000 0.898 331 V N 2.152 121.857 119.914 -0.348 0.000 2.444 331 V HA 0.386 4.506 4.120 0.000 0.000 0.294 331 V C 0.500 176.407 176.094 -0.312 0.000 1.022 331 V CA -0.291 61.716 62.300 -0.488 0.000 0.850 331 V CB 1.581 32.643 31.823 -1.269 0.000 0.992 331 V HN 0.656 nan 8.190 nan 0.000 0.426 332 T N 3.250 117.715 114.554 -0.148 0.000 2.885 332 T HA 0.760 5.110 4.350 0.000 0.000 0.285 332 T C -0.171 174.532 174.700 0.005 0.000 1.019 332 T CA -0.070 62.002 62.100 -0.047 0.000 1.010 332 T CB 1.572 70.435 68.868 -0.010 0.000 1.022 332 T HN 0.962 nan 8.240 nan 0.000 0.466 333 T N 0.540 115.115 114.554 0.035 0.000 2.916 333 T HA 0.704 5.054 4.350 0.000 0.000 0.292 333 T C 0.516 175.254 174.700 0.064 0.000 1.055 333 T CA -0.575 61.549 62.100 0.040 0.000 1.009 333 T CB 1.247 70.128 68.868 0.021 0.000 1.118 333 T HN 0.800 nan 8.240 nan 0.000 0.497 334 T N 0.150 114.736 114.554 0.053 0.000 2.770 334 T HA 0.316 4.666 4.350 0.000 0.000 0.281 334 T C 1.380 176.088 174.700 0.014 0.000 0.981 334 T CA -0.594 61.538 62.100 0.054 0.000 0.955 334 T CB 0.346 69.234 68.868 0.035 0.000 1.060 334 T HN 0.558 nan 8.240 nan 0.000 0.531 335 L N 0.426 121.658 121.223 0.015 0.000 2.042 335 L HA -0.065 4.275 4.340 0.000 0.000 0.210 335 L C 2.504 179.375 176.870 0.001 0.000 1.076 335 L CA 1.739 56.597 54.840 0.031 0.000 0.749 335 L CB -0.879 41.195 42.059 0.026 0.000 0.893 335 L HN 0.602 nan 8.230 nan 0.000 0.432 336 Q N -0.704 119.066 119.800 -0.050 0.000 2.444 336 Q HA 0.107 4.447 4.340 0.000 0.000 0.206 336 Q C 1.738 177.693 176.000 -0.075 0.000 0.948 336 Q CA 0.915 56.667 55.803 -0.084 0.000 0.946 336 Q CB 0.027 28.708 28.738 -0.095 0.000 1.027 336 Q HN 0.638 nan 8.270 nan 0.000 0.513 337 G N -0.289 108.473 108.800 -0.064 0.000 3.020 337 G HA2 0.172 4.132 3.960 0.000 0.000 0.217 337 G HA3 0.172 4.132 3.960 0.000 0.000 0.217 337 G C 0.504 175.363 174.900 -0.069 0.000 1.144 337 G CA -0.342 44.719 45.100 -0.064 0.000 0.760 337 G HN 0.153 nan 8.290 nan 0.000 0.548 338 L N 0.858 122.004 121.223 -0.128 0.000 2.578 338 L HA 0.309 4.649 4.340 0.000 0.000 0.279 338 L C 1.637 178.376 176.870 -0.218 0.000 1.227 338 L CA 1.314 55.988 54.840 -0.276 0.000 0.900 338 L CB 0.545 42.134 42.059 -0.782 0.000 1.144 338 L HN 0.342 nan 8.230 nan 0.000 0.496 339 G N 1.319 110.119 108.800 0.001 0.000 2.232 339 G HA2 -0.326 3.634 3.960 0.000 0.000 0.226 339 G HA3 -0.326 3.634 3.960 0.000 0.000 0.226 339 G C 0.985 175.921 174.900 0.060 0.000 0.996 339 G CA 0.449 45.611 45.100 0.103 0.000 0.626 339 G HN 0.716 nan 8.290 nan 0.000 0.509 340 S N -1.135 114.591 115.700 0.042 0.000 2.470 340 S HA 0.510 4.980 4.470 0.000 0.000 0.225 340 S C 0.539 175.239 174.600 0.167 0.000 1.006 340 S CA 0.835 59.065 58.200 0.049 0.000 0.934 340 S CB 0.159 63.373 63.200 0.023 0.000 0.778 340 S HN 1.007 nan 8.310 nan 0.000 0.517 341 F N 2.193 122.159 119.950 0.026 0.000 2.529 341 F HA 0.454 4.981 4.527 0.000 0.000 0.320 341 F C -0.722 175.122 175.800 0.075 0.000 1.118 341 F CA -1.509 56.515 58.000 0.041 0.000 0.915 341 F CB 1.683 40.702 39.000 0.032 0.000 1.161 341 F HN -0.098 nan 8.300 nan 0.000 0.445 342 D N 4.616 124.711 120.400 -0.507 0.000 2.368 342 D HA 0.001 4.641 4.640 0.000 0.000 0.268 342 D C 0.681 176.886 176.300 -0.159 0.000 1.298 342 D CA 0.579 54.404 54.000 -0.292 0.000 0.938 342 D CB 0.897 41.482 40.800 -0.359 0.000 1.101 342 D HN 0.700 nan 8.370 nan 0.000 0.509 343 Q N 2.334 122.174 119.800 0.066 0.000 2.541 343 Q HA -0.141 4.199 4.340 0.000 0.000 0.215 343 Q C 0.908 176.943 176.000 0.057 0.000 0.977 343 Q CA 0.520 56.406 55.803 0.137 0.000 0.934 343 Q CB 0.296 29.143 28.738 0.182 0.000 0.988 343 Q HN 0.458 nan 8.270 nan 0.000 0.521 344 E N 0.973 121.169 120.200 -0.007 0.000 2.371 344 E HA -0.053 4.297 4.350 0.000 0.000 0.194 344 E C 0.109 176.698 176.600 -0.018 0.000 1.012 344 E CA 0.066 56.455 56.400 -0.019 0.000 0.860 344 E CB 0.274 29.950 29.700 -0.040 0.000 0.811 344 E HN 0.169 nan 8.360 nan 0.000 0.502 345 D N 0.120 120.497 120.400 -0.039 0.000 2.389 345 D HA -0.019 4.621 4.640 0.000 0.000 0.247 345 D C -1.485 174.859 176.300 0.073 0.000 1.128 345 D CA -1.605 52.390 54.000 -0.009 0.000 0.884 345 D CB 1.383 42.121 40.800 -0.103 0.000 1.194 345 D HN -0.004 nan 8.370 nan 0.000 0.441 346 P HA -0.139 nan 4.420 nan 0.000 0.219 346 P C 0.594 177.898 177.300 0.007 0.000 1.146 346 P CA 1.023 64.148 63.100 0.042 0.000 0.808 346 P CB 0.300 32.037 31.700 0.061 0.000 0.779 347 K N -0.140 120.313 120.400 0.088 0.000 2.487 347 K HA 0.093 4.413 4.320 0.000 0.000 0.192 347 K C 1.039 177.671 176.600 0.055 0.000 1.027 347 K CA -0.044 56.251 56.287 0.012 0.000 1.054 347 K CB -0.025 32.574 32.500 0.164 0.000 0.824 347 K HN 0.033 nan 8.250 nan 0.000 0.510 348 S N 0.797 116.622 115.700 0.209 0.000 2.528 348 S HA 0.191 4.661 4.470 0.000 0.000 0.277 348 S C 0.802 175.414 174.600 0.019 0.000 1.297 348 S CA -0.506 57.824 58.200 0.217 0.000 1.052 348 S CB 0.550 63.959 63.200 0.349 0.000 0.917 348 S HN 0.207 nan 8.310 nan 0.000 0.492 349 L N 3.498 124.700 121.223 -0.035 0.000 2.664 349 L HA 0.303 4.643 4.340 0.000 0.000 0.233 349 L C 0.960 177.814 176.870 -0.026 0.000 1.113 349 L CA 0.060 54.861 54.840 -0.066 0.000 0.896 349 L CB -0.356 41.643 42.059 -0.099 0.000 1.163 349 L HN 0.826 nan 8.230 nan 0.000 0.497 350 D N -0.107 120.320 120.400 0.045 0.000 3.876 350 D HA -0.262 4.378 4.640 0.000 0.000 0.275 350 D C -0.227 176.123 176.300 0.083 0.000 2.055 350 D CA 0.685 54.746 54.000 0.102 0.000 1.173 350 D CB -0.100 40.754 40.800 0.091 0.000 0.929 350 D HN -0.026 nan 8.370 nan 0.000 1.134 351 M N 1.192 120.870 119.600 0.130 0.000 2.233 351 M HA 0.400 4.880 4.480 0.000 0.000 0.350 351 M C 0.161 176.493 176.300 0.054 0.000 1.176 351 M CA -0.256 55.104 55.300 0.099 0.000 1.150 351 M CB 0.522 33.198 32.600 0.127 0.000 1.530 351 M HN 0.357 nan 8.290 nan 0.000 0.459 352 L N 2.573 123.813 121.223 0.028 0.000 2.298 352 L HA 1.107 5.447 4.340 0.000 0.000 0.268 352 L C -0.038 176.825 176.870 -0.011 0.000 1.010 352 L CA -0.211 54.618 54.840 -0.019 0.000 0.812 352 L CB 1.467 43.496 42.059 -0.049 0.000 1.331 352 L HN 0.836 nan 8.230 nan 0.000 0.450 353 G N -0.016 108.762 108.800 -0.037 0.000 2.409 353 G HA2 -0.220 3.740 3.960 0.000 0.000 0.421 353 G HA3 -0.220 3.740 3.960 0.000 0.000 0.421 353 G C 0.051 174.925 174.900 -0.044 0.000 1.259 353 G CA 0.028 45.106 45.100 -0.036 0.000 1.011 353 G HN 1.103 nan 8.290 nan 0.000 0.497 354 M N -0.848 118.708 119.600 -0.073 0.000 2.103 354 M HA -0.149 4.331 4.480 0.000 0.000 0.255 354 M C 1.384 177.519 176.300 -0.275 0.000 1.074 354 M CA 2.550 57.745 55.300 -0.176 0.000 1.090 354 M CB -0.225 32.242 32.600 -0.223 0.000 1.325 354 M HN 0.581 nan 8.290 nan 0.000 0.403 355 H N -0.482 118.608 119.070 0.033 0.000 2.510 355 H HA 0.381 4.937 4.556 0.000 0.000 0.266 355 H C 0.343 175.703 175.328 0.054 0.000 1.146 355 H CA 0.268 56.336 56.048 0.033 0.000 0.993 355 H CB -0.388 29.371 29.762 -0.004 0.000 1.727 355 H HN 0.422 nan 8.280 nan 0.000 0.590 356 G N 0.090 108.953 108.800 0.104 0.000 2.562 356 G HA2 0.158 4.118 3.960 0.000 0.000 0.275 356 G HA3 0.158 4.118 3.960 0.000 0.000 0.275 356 G C 0.023 174.948 174.900 0.043 0.000 1.196 356 G CA -0.395 44.761 45.100 0.094 0.000 0.908 356 G HN 0.412 nan 8.290 nan 0.000 0.524 357 C N 0.740 120.041 119.300 0.003 0.000 2.634 357 C HA 0.375 4.835 4.460 0.000 0.000 0.417 357 C C 2.151 176.911 174.990 -0.383 0.000 1.334 357 C CA 0.254 59.089 59.018 -0.305 0.000 1.829 357 C CB -0.288 27.220 27.740 -0.387 0.000 2.665 357 C HN 0.900 nan 8.230 nan 0.000 0.614 358 A N 4.354 126.836 122.820 -0.563 0.000 1.933 358 A HA -0.087 4.233 4.320 0.000 0.000 0.218 358 A C 2.158 179.383 177.584 -0.599 0.000 1.175 358 A CA 2.480 53.977 52.037 -0.900 0.000 0.628 358 A CB -0.976 17.244 19.000 -1.300 0.000 0.814 358 A HN 0.958 nan 8.150 nan 0.000 0.444 359 T N 0.261 114.609 114.554 -0.343 0.000 2.746 359 T HA -0.022 4.328 4.350 0.000 0.000 0.267 359 T C 2.237 176.809 174.700 -0.213 0.000 1.039 359 T CA 1.558 63.548 62.100 -0.184 0.000 1.142 359 T CB -0.431 68.422 68.868 -0.024 0.000 0.866 359 T HN 0.603 nan 8.240 nan 0.000 0.444 360 A N 2.450 125.150 122.820 -0.201 0.000 1.877 360 A HA -0.161 4.159 4.320 0.000 0.000 0.216 360 A C 2.269 179.751 177.584 -0.170 0.000 1.186 360 A CA 1.565 53.514 52.037 -0.147 0.000 0.620 360 A CB -0.661 18.276 19.000 -0.106 0.000 0.822 360 A HN 0.378 nan 8.150 nan 0.000 0.443 361 N N 0.084 118.647 118.700 -0.228 0.000 2.166 361 N HA -0.083 4.657 4.740 0.000 0.000 0.186 361 N C 1.644 177.005 175.510 -0.248 0.000 1.019 361 N CA 1.294 54.223 53.050 -0.202 0.000 0.856 361 N CB -0.490 37.872 38.487 -0.208 0.000 0.993 361 N HN 0.510 nan 8.380 nan 0.000 0.426 362 L N 0.483 121.444 121.223 -0.437 0.000 2.056 362 L HA -0.046 4.294 4.340 0.000 0.000 0.207 362 L C 2.377 178.964 176.870 -0.472 0.000 1.078 362 L CA 0.942 55.365 54.840 -0.695 0.000 0.749 362 L CB -0.436 40.684 42.059 -1.566 0.000 0.901 362 L HN 0.096 nan 8.230 nan 0.000 0.433 363 A N -0.410 122.268 122.820 -0.236 0.000 1.902 363 A HA -0.157 4.163 4.320 0.000 0.000 0.217 363 A C 2.321 180.034 177.584 0.216 0.000 1.181 363 A CA 1.778 53.923 52.037 0.180 0.000 0.623 363 A CB -0.789 18.249 19.000 0.062 0.000 0.818 363 A HN 0.198 nan 8.150 nan 0.000 0.443 364 V N -0.061 119.863 119.914 0.016 0.000 2.427 364 V HA -0.199 3.921 4.120 0.000 0.000 0.248 364 V C 2.515 178.533 176.094 -0.126 0.000 1.051 364 V CA 1.841 64.109 62.300 -0.054 0.000 1.048 364 V CB -0.597 31.151 31.823 -0.126 0.000 0.666 364 V HN 0.535 nan 8.190 nan 0.000 0.456 365 Q N -0.276 119.458 119.800 -0.111 0.000 2.369 365 Q HA -0.003 4.337 4.340 0.000 0.000 0.206 365 Q C 1.516 177.503 176.000 -0.021 0.000 0.963 365 Q CA 0.783 56.517 55.803 -0.115 0.000 0.894 365 Q CB -0.194 28.484 28.738 -0.099 0.000 0.965 365 Q HN 0.650 nan 8.270 nan 0.000 0.475 366 N N -0.541 118.222 118.700 0.105 0.000 2.181 366 N HA 0.138 4.878 4.740 0.000 0.000 0.207 366 N C -0.074 175.494 175.510 0.096 0.000 1.182 366 N CA 0.083 53.249 53.050 0.194 0.000 0.893 366 N CB 0.867 39.643 38.487 0.481 0.000 1.032 366 N HN 0.005 nan 8.380 nan 0.000 0.513 367 A N 1.564 124.443 122.820 0.098 0.000 2.445 367 A HA 0.095 4.415 4.320 0.000 0.000 0.242 367 A C 1.000 178.509 177.584 -0.125 0.000 1.075 367 A CA -0.057 51.947 52.037 -0.054 0.000 0.777 367 A CB 0.330 19.390 19.000 0.100 0.000 1.013 367 A HN 0.223 nan 8.150 nan 0.000 0.493 368 D N 0.405 120.688 120.400 -0.195 0.000 2.346 368 D HA 0.113 4.753 4.640 0.000 0.000 0.206 368 D C 0.049 176.300 176.300 -0.081 0.000 1.001 368 D CA 0.269 54.188 54.000 -0.135 0.000 0.871 368 D CB 0.013 40.717 40.800 -0.160 0.000 0.943 368 D HN 0.266 nan 8.370 nan 0.000 0.518 369 L N 0.464 121.650 121.223 -0.062 0.000 2.438 369 L HA 0.482 4.822 4.340 0.000 0.000 0.270 369 L C -1.687 175.212 176.870 0.049 0.000 0.972 369 L CA -0.774 54.065 54.840 -0.001 0.000 0.831 369 L CB 2.264 44.325 42.059 0.004 0.000 1.273 369 L HN -0.115 nan 8.230 nan 0.000 0.405 370 I N 6.367 126.988 120.570 0.085 0.000 2.382 370 I HA 0.390 4.560 4.170 0.000 0.000 0.286 370 I C -0.600 175.641 176.117 0.207 0.000 1.002 370 I CA -0.395 60.992 61.300 0.144 0.000 1.135 370 I CB 1.522 39.613 38.000 0.151 0.000 1.288 370 I HN 0.504 nan 8.210 nan 0.000 0.448 371 I N 6.540 127.233 120.570 0.206 0.000 2.310 371 I HA 0.342 4.512 4.170 0.000 0.000 0.287 371 I C 0.611 176.876 176.117 0.247 0.000 1.073 371 I CA -0.263 61.180 61.300 0.240 0.000 1.216 371 I CB 0.939 39.049 38.000 0.184 0.000 1.415 371 I HN 0.560 nan 8.210 nan 0.000 0.480 372 A N 6.709 129.721 122.820 0.319 0.000 2.354 372 A HA 0.591 4.911 4.320 0.000 0.000 0.281 372 A C -0.185 177.541 177.584 0.236 0.000 1.174 372 A CA -0.268 51.873 52.037 0.174 0.000 0.828 372 A CB 0.393 19.511 19.000 0.197 0.000 1.099 372 A HN 0.470 nan 8.150 nan 0.000 0.516 373 V N 2.682 122.587 119.914 -0.014 0.000 2.349 373 V HA 0.568 4.688 4.120 0.000 0.000 0.284 373 V C 1.015 177.062 176.094 -0.079 0.000 1.014 373 V CA 0.374 62.672 62.300 -0.003 0.000 0.826 373 V CB 0.680 32.415 31.823 -0.148 0.000 1.009 373 V HN 1.805 nan 8.190 nan 0.000 0.431 374 G N 4.041 112.851 108.800 0.017 0.000 2.295 374 G HA2 0.070 4.030 3.960 0.000 0.000 0.287 374 G HA3 0.070 4.030 3.960 0.000 0.000 0.287 374 G C 0.113 174.949 174.900 -0.106 0.000 1.055 374 G CA 0.470 45.554 45.100 -0.026 0.000 0.922 374 G HN 1.565 nan 8.290 nan 0.000 0.503 375 A N -0.520 122.213 122.820 -0.144 0.000 2.475 375 A HA 0.895 5.215 4.320 0.000 0.000 0.301 375 A C 0.691 178.260 177.584 -0.024 0.000 1.059 375 A CA -0.070 51.786 52.037 -0.302 0.000 0.710 375 A CB 0.954 19.328 19.000 -1.044 0.000 1.288 375 A HN 1.112 nan 8.150 nan 0.000 0.408 376 R N 0.597 121.126 120.500 0.049 0.000 2.552 376 R HA 0.404 4.744 4.340 0.000 0.000 0.314 376 R C -1.102 175.418 176.300 0.366 0.000 1.041 376 R CA -0.164 56.087 56.100 0.252 0.000 1.076 376 R CB -0.574 29.808 30.300 0.137 0.000 1.290 376 R HN 0.586 nan 8.270 nan 0.000 0.563 377 F N 2.796 122.810 119.950 0.106 0.000 3.004 377 F HA -0.282 4.245 4.527 0.000 0.000 0.264 377 F C 0.197 175.943 175.800 -0.089 0.000 0.979 377 F CA 1.114 59.107 58.000 -0.011 0.000 0.896 377 F CB -1.834 37.093 39.000 -0.122 0.000 0.813 377 F HN 0.475 nan 8.300 nan 0.000 0.804 378 D N 0.645 121.082 120.400 0.062 0.000 2.371 378 D HA 0.078 4.718 4.640 0.000 0.000 0.242 378 D C 1.088 177.363 176.300 -0.042 0.000 1.218 378 D CA 0.296 54.301 54.000 0.008 0.000 0.945 378 D CB 0.750 41.547 40.800 -0.006 0.000 1.137 378 D HN 0.373 nan 8.370 nan 0.000 0.464 379 D N -0.702 119.673 120.400 -0.042 0.000 2.371 379 D HA -0.143 4.497 4.640 0.000 0.000 0.221 379 D C 1.178 177.448 176.300 -0.051 0.000 0.986 379 D CA 0.421 54.389 54.000 -0.054 0.000 0.899 379 D CB 0.018 40.794 40.800 -0.040 0.000 0.902 379 D HN 0.114 nan 8.370 nan 0.000 0.530 380 R N 0.001 120.472 120.500 -0.048 0.000 2.317 380 R HA 0.226 4.566 4.340 0.000 0.000 0.208 380 R C 1.254 177.523 176.300 -0.052 0.000 0.914 380 R CA 0.105 56.179 56.100 -0.042 0.000 1.060 380 R CB 0.263 30.542 30.300 -0.034 0.000 1.015 380 R HN 0.274 nan 8.270 nan 0.000 0.498 381 V N -0.246 119.622 119.914 -0.077 0.000 2.911 381 V HA -0.067 4.053 4.120 0.000 0.000 0.237 381 V C 2.136 178.126 176.094 -0.173 0.000 1.156 381 V CA 1.712 63.946 62.300 -0.109 0.000 1.180 381 V CB 0.248 32.005 31.823 -0.110 0.000 0.932 381 V HN 0.307 nan 8.190 nan 0.000 0.483 382 T N -1.666 112.729 114.554 -0.266 0.000 3.055 382 T HA 0.273 4.623 4.350 0.000 0.000 0.265 382 T C 1.300 175.938 174.700 -0.104 0.000 1.111 382 T CA 1.002 62.849 62.100 -0.422 0.000 1.118 382 T CB -0.183 68.304 68.868 -0.635 0.000 0.909 382 T HN 1.063 nan 8.240 nan 0.000 0.501 383 G N 2.102 110.869 108.800 -0.056 0.000 2.601 383 G HA2 -0.293 3.667 3.960 0.000 0.000 0.252 383 G HA3 -0.293 3.667 3.960 0.000 0.000 0.252 383 G C -0.316 174.588 174.900 0.008 0.000 1.294 383 G CA -0.217 44.885 45.100 0.003 0.000 0.912 383 G HN 0.760 nan 8.290 nan 0.000 0.574 384 N N 1.021 119.740 118.700 0.032 0.000 2.417 384 N HA 0.085 4.825 4.740 0.000 0.000 0.272 384 N C 1.996 177.540 175.510 0.055 0.000 1.304 384 N CA 0.592 53.660 53.050 0.030 0.000 0.906 384 N CB 0.015 38.519 38.487 0.029 0.000 1.135 384 N HN 0.483 nan 8.380 nan 0.000 0.483 385 I N 2.098 122.683 120.570 0.025 0.000 2.248 385 I HA -0.346 3.824 4.170 0.000 0.000 0.248 385 I C 2.108 178.282 176.117 0.096 0.000 1.107 385 I CA 1.290 62.614 61.300 0.040 0.000 1.373 385 I CB -0.395 37.597 38.000 -0.014 0.000 1.055 385 I HN 0.585 nan 8.210 nan 0.000 0.418 386 S N 0.459 116.195 115.700 0.060 0.000 2.515 386 S HA -0.079 4.391 4.470 0.000 0.000 0.231 386 S C 1.640 176.279 174.600 0.065 0.000 0.987 386 S CA 0.575 58.808 58.200 0.054 0.000 0.936 386 S CB -0.241 62.976 63.200 0.028 0.000 0.766 386 S HN 0.482 nan 8.310 nan 0.000 0.528 387 K N -0.075 120.375 120.400 0.083 0.000 2.358 387 K HA 0.284 4.604 4.320 0.000 0.000 0.197 387 K C -0.281 176.384 176.600 0.107 0.000 1.025 387 K CA -0.445 55.884 56.287 0.069 0.000 1.104 387 K CB 0.152 32.681 32.500 0.048 0.000 0.855 387 K HN 0.401 nan 8.250 nan 0.000 0.531 388 F N 2.560 122.505 119.950 -0.009 0.000 2.495 388 F HA 0.195 4.722 4.527 -0.000 0.000 0.365 388 F C 0.634 176.433 175.800 -0.001 0.000 1.090 388 F CA -0.565 57.430 58.000 -0.008 0.000 1.235 388 F CB 0.394 39.397 39.000 0.005 0.000 1.119 388 F HN 0.238 nan 8.300 nan 0.000 0.562 389 A N 6.500 128.829 122.820 -0.819 0.000 2.261 389 A HA -0.196 4.124 4.320 0.000 0.000 0.282 389 A C -1.690 175.734 177.584 -0.266 0.000 1.403 389 A CA 0.551 52.197 52.037 -0.652 0.000 0.753 389 A CB -1.885 16.560 19.000 -0.925 0.000 1.125 389 A HN 0.690 nan 8.150 nan 0.000 0.358 390 P HA -0.169 nan 4.420 nan 0.000 0.217 390 P C 1.176 178.437 177.300 -0.065 0.000 1.150 390 P CA 1.369 64.424 63.100 -0.075 0.000 0.832 390 P CB 0.178 31.851 31.700 -0.045 0.000 0.787 391 E N -0.217 119.939 120.200 -0.072 0.000 2.208 391 E HA -0.029 4.321 4.350 0.000 0.000 0.193 391 E C 2.096 178.654 176.600 -0.070 0.000 0.988 391 E CA 0.965 57.330 56.400 -0.058 0.000 0.828 391 E CB -0.485 29.188 29.700 -0.045 0.000 0.763 391 E HN 0.232 nan 8.360 nan 0.000 0.478 392 A N 1.272 124.037 122.820 -0.091 0.000 1.930 392 A HA -0.079 4.241 4.320 0.000 0.000 0.215 392 A C 2.474 180.029 177.584 -0.049 0.000 1.176 392 A CA 1.737 53.731 52.037 -0.072 0.000 0.632 392 A CB -0.556 18.393 19.000 -0.086 0.000 0.819 392 A HN 0.267 nan 8.150 nan 0.000 0.445 393 R N 0.047 120.516 120.500 -0.051 0.000 2.092 393 R HA -0.018 4.322 4.340 0.000 0.000 0.231 393 R C 2.280 178.565 176.300 -0.025 0.000 1.119 393 R CA 1.631 57.714 56.100 -0.028 0.000 0.970 393 R CB -1.032 29.255 30.300 -0.022 0.000 0.864 393 R HN 0.569 nan 8.270 nan 0.000 0.440 394 R N -0.194 120.288 120.500 -0.030 0.000 2.075 394 R HA 0.031 4.371 4.340 0.000 0.000 0.232 394 R C 2.596 178.880 176.300 -0.027 0.000 1.126 394 R CA 1.507 57.592 56.100 -0.025 0.000 0.963 394 R CB -0.533 29.752 30.300 -0.025 0.000 0.858 394 R HN 0.501 nan 8.270 nan 0.000 0.435 395 A N 0.655 123.454 122.820 -0.035 0.000 1.933 395 A HA -0.101 4.219 4.320 0.000 0.000 0.218 395 A C 2.305 179.874 177.584 -0.026 0.000 1.175 395 A CA 1.701 53.717 52.037 -0.036 0.000 0.628 395 A CB -0.529 18.442 19.000 -0.048 0.000 0.814 395 A HN 0.473 nan 8.150 nan 0.000 0.444 396 A N -0.088 122.719 122.820 -0.022 0.000 1.902 396 A HA 0.178 4.498 4.320 0.000 0.000 0.217 396 A C 2.482 180.058 177.584 -0.013 0.000 1.181 396 A CA 1.947 53.975 52.037 -0.015 0.000 0.623 396 A CB -0.996 17.998 19.000 -0.011 0.000 0.818 396 A HN 1.084 nan 8.150 nan 0.000 0.443 397 A N -0.367 122.445 122.820 -0.014 0.000 2.019 397 A HA -0.137 4.183 4.320 0.000 0.000 0.219 397 A C 1.695 179.272 177.584 -0.011 0.000 1.164 397 A CA 1.600 53.630 52.037 -0.011 0.000 0.644 397 A CB -0.364 18.629 19.000 -0.011 0.000 0.805 397 A HN 0.632 nan 8.150 nan 0.000 0.449 398 E N -1.333 118.858 120.200 -0.014 0.000 2.465 398 E HA 0.317 4.667 4.350 0.000 0.000 0.195 398 E C 0.859 177.450 176.600 -0.014 0.000 1.028 398 E CA 0.127 56.519 56.400 -0.014 0.000 0.899 398 E CB -0.020 29.670 29.700 -0.016 0.000 1.032 398 E HN 0.644 nan 8.360 nan 0.000 0.468 399 G N 2.954 111.745 108.800 -0.014 0.000 2.283 399 G HA2 -0.359 3.601 3.960 0.000 0.000 0.280 399 G HA3 -0.359 3.601 3.960 0.000 0.000 0.280 399 G C 0.667 175.557 174.900 -0.016 0.000 1.029 399 G CA 0.981 46.073 45.100 -0.013 0.000 0.840 399 G HN 0.455 nan 8.290 nan 0.000 0.505 400 R N -1.226 119.262 120.500 -0.021 0.000 2.600 400 R HA 0.566 4.906 4.340 0.000 0.000 0.392 400 R C 0.824 177.105 176.300 -0.031 0.000 1.032 400 R CA 0.374 56.459 56.100 -0.025 0.000 1.139 400 R CB 0.586 30.869 30.300 -0.027 0.000 1.400 400 R HN 1.191 nan 8.270 nan 0.000 0.566 401 G N -0.916 107.868 108.800 -0.026 0.000 2.392 401 G HA2 0.452 4.412 3.960 0.000 0.000 0.260 401 G HA3 0.452 4.412 3.960 0.000 0.000 0.260 401 G C -0.356 174.536 174.900 -0.014 0.000 1.226 401 G CA -0.073 45.012 45.100 -0.025 0.000 0.913 401 G HN 0.522 nan 8.290 nan 0.000 0.483 402 G N -1.081 107.714 108.800 -0.009 0.000 2.348 402 G HA2 0.298 4.258 3.960 0.000 0.000 0.199 402 G HA3 0.298 4.258 3.960 0.000 0.000 0.199 402 G C -1.160 173.762 174.900 0.037 0.000 1.235 402 G CA -0.095 45.008 45.100 0.005 0.000 1.264 402 G HN 1.329 nan 8.290 nan 0.000 0.543 403 I N 1.154 121.759 120.570 0.058 0.000 2.499 403 I HA 0.536 4.705 4.170 0.000 0.000 0.288 403 I C -0.379 175.808 176.117 0.117 0.000 1.048 403 I CA -0.670 60.701 61.300 0.119 0.000 1.062 403 I CB 1.952 40.041 38.000 0.149 0.000 1.238 403 I HN 0.382 nan 8.210 nan 0.000 0.426 404 I N 5.056 125.724 120.570 0.163 0.000 2.412 404 I HA 0.349 4.519 4.170 0.000 0.000 0.296 404 I C -0.405 175.871 176.117 0.264 0.000 0.987 404 I CA -0.478 60.904 61.300 0.136 0.000 1.180 404 I CB 1.596 39.674 38.000 0.131 0.000 1.340 404 I HN 0.579 nan 8.210 nan 0.000 0.455 405 H N 6.189 125.280 119.070 0.035 0.000 2.906 405 H HA 0.371 4.927 4.556 -0.000 0.000 0.324 405 H C -1.473 173.837 175.328 -0.031 0.000 0.973 405 H CA -0.773 55.348 56.048 0.122 0.000 1.321 405 H CB 1.137 30.986 29.762 0.146 0.000 1.535 405 H HN 0.387 nan 8.280 nan 0.000 0.518 406 F N 3.852 123.882 119.950 0.133 0.000 2.368 406 F HA 0.159 4.686 4.527 0.000 0.000 0.362 406 F C 0.233 175.937 175.800 -0.160 0.000 1.137 406 F CA -0.339 57.646 58.000 -0.026 0.000 1.161 406 F CB 0.833 39.835 39.000 0.003 0.000 1.265 406 F HN 0.553 nan 8.300 nan 0.000 0.530 407 E N 2.180 122.256 120.200 -0.207 0.000 2.272 407 E HA 0.346 4.696 4.350 0.000 0.000 0.269 407 E C -0.399 176.128 176.600 -0.122 0.000 0.877 407 E CA -0.527 55.706 56.400 -0.278 0.000 0.755 407 E CB 2.039 31.330 29.700 -0.681 0.000 1.192 407 E HN 0.259 nan 8.360 nan 0.000 0.422 408 V N 2.905 122.782 119.914 -0.062 0.000 2.878 408 V HA 0.186 4.306 4.120 0.000 0.000 0.250 408 V C 0.394 176.469 176.094 -0.032 0.000 1.075 408 V CA 1.404 63.688 62.300 -0.027 0.000 1.096 408 V CB 0.315 32.135 31.823 -0.005 0.000 0.724 408 V HN 0.561 nan 8.190 nan 0.000 0.467 409 S N -0.415 115.259 115.700 -0.045 0.000 2.433 409 S HA 0.454 4.924 4.470 0.000 0.000 0.310 409 S C -1.587 172.995 174.600 -0.032 0.000 1.097 409 S CA -1.249 56.931 58.200 -0.033 0.000 1.103 409 S CB 1.652 64.831 63.200 -0.035 0.000 0.992 409 S HN 0.197 nan 8.310 nan 0.000 0.469 410 P HA -0.089 nan 4.420 nan 0.000 0.218 410 P C 0.765 178.062 177.300 -0.004 0.000 1.148 410 P CA 1.182 64.275 63.100 -0.012 0.000 0.822 410 P CB 0.129 31.824 31.700 -0.008 0.000 0.784 411 K N -1.014 119.385 120.400 -0.002 0.000 2.211 411 K HA -0.090 4.230 4.320 0.000 0.000 0.204 411 K C 0.904 177.513 176.600 0.016 0.000 1.047 411 K CA 1.044 57.335 56.287 0.007 0.000 0.935 411 K CB -0.425 32.078 32.500 0.006 0.000 0.728 411 K HN 0.145 nan 8.250 nan 0.000 0.452 412 N N 0.459 119.171 118.700 0.021 0.000 2.251 412 N HA 0.162 4.902 4.740 0.000 0.000 0.217 412 N C -0.489 175.089 175.510 0.113 0.000 1.124 412 N CA 0.184 53.276 53.050 0.069 0.000 0.843 412 N CB 0.501 39.044 38.487 0.093 0.000 1.024 412 N HN 0.107 nan 8.380 nan 0.000 0.501 413 I N 1.118 121.719 120.570 0.050 0.000 2.336 413 I HA 0.118 4.288 4.170 0.000 0.000 0.292 413 I C 0.049 176.190 176.117 0.040 0.000 0.991 413 I CA -0.426 60.912 61.300 0.063 0.000 1.227 413 I CB 0.681 38.684 38.000 0.005 0.000 1.366 413 I HN 0.016 nan 8.210 nan 0.000 0.466 414 N N 4.321 123.038 118.700 0.028 0.000 2.725 414 N HA -0.218 4.522 4.740 0.000 0.000 0.249 414 N C 0.938 176.423 175.510 -0.041 0.000 1.103 414 N CA 0.976 54.006 53.050 -0.032 0.000 0.707 414 N CB -0.760 37.719 38.487 -0.015 0.000 1.043 414 N HN 0.677 nan 8.380 nan 0.000 0.553 415 K N 0.119 120.497 120.400 -0.038 0.000 2.128 415 K HA 0.100 4.420 4.320 0.000 0.000 0.202 415 K C 1.523 178.090 176.600 -0.056 0.000 1.050 415 K CA 1.198 57.469 56.287 -0.028 0.000 0.966 415 K CB 0.425 32.928 32.500 0.005 0.000 0.759 415 K HN 0.077 nan 8.250 nan 0.000 0.454 416 V N 0.584 120.432 119.914 -0.111 0.000 2.908 416 V HA 0.078 4.198 4.120 0.000 0.000 0.240 416 V C 0.553 176.549 176.094 -0.163 0.000 1.117 416 V CA 0.315 62.541 62.300 -0.124 0.000 1.133 416 V CB 1.255 33.011 31.823 -0.112 0.000 0.857 416 V HN 0.222 nan 8.190 nan 0.000 0.478 417 V N -1.491 118.256 119.914 -0.277 0.000 2.876 417 V HA 0.566 4.686 4.120 0.000 0.000 0.312 417 V C -0.574 175.405 176.094 -0.190 0.000 1.085 417 V CA -0.940 61.232 62.300 -0.214 0.000 0.945 417 V CB 1.783 33.472 31.823 -0.224 0.000 1.017 417 V HN 0.358 nan 8.190 nan 0.000 0.428 418 Q N 2.379 122.122 119.800 -0.096 0.000 2.289 418 Q HA 0.445 4.785 4.340 0.000 0.000 0.273 418 Q C 0.088 176.048 176.000 -0.066 0.000 1.029 418 Q CA 0.223 55.986 55.803 -0.065 0.000 0.896 418 Q CB 0.839 29.558 28.738 -0.032 0.000 1.182 418 Q HN 1.110 nan 8.270 nan 0.000 0.385 419 T N 1.192 115.715 114.554 -0.053 0.000 2.888 419 T HA 0.275 4.625 4.350 0.000 0.000 0.284 419 T C 0.419 175.119 174.700 -0.001 0.000 1.017 419 T CA -0.836 61.251 62.100 -0.023 0.000 1.022 419 T CB 1.724 70.594 68.868 0.003 0.000 1.013 419 T HN 0.579 nan 8.240 nan 0.000 0.465 420 Q N 0.859 120.663 119.800 0.008 0.000 2.163 420 Q HA 0.422 4.762 4.340 0.000 0.000 0.198 420 Q C 0.040 176.033 176.000 -0.011 0.000 0.954 420 Q CA 1.088 56.890 55.803 -0.001 0.000 0.851 420 Q CB 0.057 28.795 28.738 -0.000 0.000 0.928 420 Q HN 0.755 nan 8.270 nan 0.000 0.459 421 I N 0.171 120.732 120.570 -0.014 0.000 2.534 421 I HA 0.507 4.677 4.170 0.000 0.000 0.286 421 I C -1.332 174.740 176.117 -0.075 0.000 1.094 421 I CA -1.074 60.192 61.300 -0.057 0.000 1.055 421 I CB 2.019 39.966 38.000 -0.089 0.000 1.225 421 I HN -0.151 nan 8.210 nan 0.000 0.435 422 A N 6.365 129.134 122.820 -0.085 0.000 2.276 422 A HA 0.764 5.084 4.320 0.000 0.000 0.316 422 A C -0.556 176.894 177.584 -0.223 0.000 1.229 422 A CA -0.464 51.511 52.037 -0.104 0.000 0.851 422 A CB 1.099 20.080 19.000 -0.032 0.000 1.165 422 A HN 0.444 nan 8.150 nan 0.000 0.513 423 V N 3.974 123.670 119.914 -0.364 0.000 2.293 423 V HA 0.191 4.311 4.120 0.000 0.000 0.275 423 V C 0.034 175.981 176.094 -0.244 0.000 1.021 423 V CA -0.399 61.644 62.300 -0.429 0.000 0.815 423 V CB 0.567 31.853 31.823 -0.894 0.000 1.025 423 V HN 0.999 nan 8.190 nan 0.000 0.448 424 E N 3.138 123.266 120.200 -0.121 0.000 2.354 424 E HA 0.605 4.955 4.350 0.000 0.000 0.269 424 E C 0.746 177.343 176.600 -0.006 0.000 1.036 424 E CA 0.736 57.113 56.400 -0.039 0.000 0.876 424 E CB 1.263 30.989 29.700 0.043 0.000 1.009 424 E HN 0.988 nan 8.360 nan 0.000 0.416 425 G N 2.623 111.427 108.800 0.007 0.000 2.362 425 G HA2 -0.183 3.777 3.960 0.000 0.000 0.517 425 G HA3 -0.183 3.777 3.960 0.000 0.000 0.517 425 G C -1.236 173.694 174.900 0.049 0.000 1.256 425 G CA -0.693 44.425 45.100 0.031 0.000 1.027 425 G HN 0.667 nan 8.290 nan 0.000 0.491 426 D N 0.653 121.088 120.400 0.058 0.000 2.401 426 D HA 0.579 5.219 4.640 0.000 0.000 0.254 426 D C 1.459 177.804 176.300 0.075 0.000 1.192 426 D CA 1.207 55.247 54.000 0.067 0.000 0.885 426 D CB 1.147 41.996 40.800 0.082 0.000 1.147 426 D HN 1.021 nan 8.370 nan 0.000 0.478 427 A N 3.289 126.155 122.820 0.076 0.000 1.865 427 A HA -0.202 4.118 4.320 0.000 0.000 0.217 427 A C 2.158 179.708 177.584 -0.056 0.000 1.191 427 A CA 2.020 54.099 52.037 0.071 0.000 0.623 427 A CB -0.995 18.015 19.000 0.018 0.000 0.826 427 A HN 0.691 nan 8.150 nan 0.000 0.444 428 T N -0.027 114.469 114.554 -0.098 0.000 2.635 428 T HA -0.167 4.183 4.350 0.000 0.000 0.267 428 T C 2.021 176.586 174.700 -0.225 0.000 1.040 428 T CA 2.123 64.097 62.100 -0.209 0.000 1.156 428 T CB -0.788 67.870 68.868 -0.351 0.000 0.863 428 T HN 0.582 nan 8.240 nan 0.000 0.430 429 T N 2.571 117.007 114.554 -0.197 0.000 2.684 429 T HA -0.133 4.217 4.350 0.000 0.000 0.267 429 T C 2.004 176.685 174.700 -0.031 0.000 1.036 429 T CA 1.215 63.247 62.100 -0.114 0.000 1.148 429 T CB -0.414 68.436 68.868 -0.030 0.000 0.863 429 T HN 0.318 nan 8.240 nan 0.000 0.436 430 N N 1.051 119.773 118.700 0.036 0.000 2.309 430 N HA 0.075 4.815 4.740 0.000 0.000 0.182 430 N C 1.836 177.413 175.510 0.112 0.000 1.018 430 N CA 0.589 53.718 53.050 0.131 0.000 0.876 430 N CB -0.406 38.260 38.487 0.298 0.000 0.972 430 N HN 0.363 nan 8.380 nan 0.000 0.434 431 L N 0.089 121.284 121.223 -0.046 0.000 2.093 431 L HA -0.036 4.304 4.340 0.000 0.000 0.208 431 L C 2.376 179.212 176.870 -0.058 0.000 1.085 431 L CA 1.123 55.880 54.840 -0.138 0.000 0.755 431 L CB -0.759 41.147 42.059 -0.256 0.000 0.904 431 L HN 0.188 nan 8.230 nan 0.000 0.435 432 G N 0.103 108.869 108.800 -0.057 0.000 2.418 432 G HA2 -0.233 3.727 3.960 0.000 0.000 0.217 432 G HA3 -0.233 3.727 3.960 0.000 0.000 0.217 432 G C 1.683 176.580 174.900 -0.004 0.000 1.158 432 G CA 0.459 45.538 45.100 -0.035 0.000 0.771 432 G HN 0.300 nan 8.290 nan 0.000 0.545 433 K N -0.607 119.799 120.400 0.009 0.000 2.148 433 K HA 0.131 4.451 4.320 0.000 0.000 0.204 433 K C 2.363 178.980 176.600 0.029 0.000 1.050 433 K CA 0.939 57.238 56.287 0.021 0.000 0.942 433 K CB -0.148 32.368 32.500 0.027 0.000 0.724 433 K HN 0.343 nan 8.250 nan 0.000 0.446 434 M N 0.141 119.767 119.600 0.044 0.000 2.388 434 M HA -0.059 4.421 4.480 0.000 0.000 0.265 434 M C 2.015 178.334 176.300 0.031 0.000 1.088 434 M CA 0.767 56.097 55.300 0.050 0.000 1.134 434 M CB 0.117 32.782 32.600 0.107 0.000 1.384 434 M HN 0.050 nan 8.290 nan 0.000 0.447 435 M N 0.766 120.379 119.600 0.021 0.000 2.113 435 M HA -0.253 4.227 4.480 0.000 0.000 0.255 435 M C 2.236 178.558 176.300 0.037 0.000 1.073 435 M CA 2.662 57.976 55.300 0.022 0.000 1.091 435 M CB -0.592 32.017 32.600 0.015 0.000 1.309 435 M HN 0.504 nan 8.290 nan 0.000 0.407 436 S N -1.229 114.494 115.700 0.038 0.000 2.469 436 S HA -0.127 4.343 4.470 0.000 0.000 0.238 436 S C 1.640 176.282 174.600 0.071 0.000 0.998 436 S CA 1.179 59.410 58.200 0.052 0.000 0.957 436 S CB -0.664 62.562 63.200 0.043 0.000 0.764 436 S HN 0.642 nan 8.310 nan 0.000 0.514 437 K N 0.391 120.820 120.400 0.048 0.000 2.393 437 K HA 0.274 4.594 4.320 0.000 0.000 0.193 437 K C -0.210 176.380 176.600 -0.017 0.000 1.026 437 K CA -0.021 56.287 56.287 0.035 0.000 1.064 437 K CB 0.126 32.623 32.500 -0.004 0.000 0.833 437 K HN 0.362 nan 8.250 nan 0.000 0.521 438 I N 2.007 122.588 120.570 0.018 0.000 2.371 438 I HA 0.116 4.286 4.170 0.000 0.000 0.290 438 I C 0.224 176.437 176.117 0.160 0.000 1.028 438 I CA -0.448 60.847 61.300 -0.008 0.000 1.345 438 I CB -0.153 37.859 38.000 0.021 0.000 1.407 438 I HN -0.032 nan 8.210 nan 0.000 0.501 439 F N 6.972 126.936 119.950 0.023 0.000 2.504 439 F HA 0.171 4.698 4.527 -0.000 0.000 0.369 439 F C -1.585 174.227 175.800 0.019 0.000 1.082 439 F CA -1.903 56.108 58.000 0.017 0.000 1.216 439 F CB 0.413 39.421 39.000 0.013 0.000 1.108 439 F HN 0.222 nan 8.300 nan 0.000 0.554 440 P HA 0.050 nan 4.420 nan 0.000 0.268 440 P C -0.857 176.502 177.300 0.098 0.000 1.204 440 P CA -0.034 63.135 63.100 0.115 0.000 0.768 440 P CB 0.922 32.666 31.700 0.074 0.000 0.842 441 V N 3.045 123.005 119.914 0.078 0.000 2.398 441 V HA 0.363 4.483 4.120 0.000 0.000 0.286 441 V C 1.465 177.569 176.094 0.016 0.000 1.026 441 V CA 0.006 62.337 62.300 0.052 0.000 0.868 441 V CB 0.873 32.729 31.823 0.055 0.000 0.982 441 V HN 0.582 nan 8.190 nan 0.000 0.443 442 K N 3.888 124.286 120.400 -0.003 0.000 2.025 442 K HA 0.041 4.361 4.320 0.000 0.000 0.207 442 K C 0.598 177.162 176.600 -0.060 0.000 1.049 442 K CA 2.019 58.292 56.287 -0.022 0.000 0.933 442 K CB -0.144 32.343 32.500 -0.022 0.000 0.714 442 K HN 1.009 nan 8.250 nan 0.000 0.438 443 E N -3.325 116.822 120.200 -0.089 0.000 2.398 443 E HA 0.435 4.785 4.350 0.000 0.000 0.280 443 E C -1.322 175.156 176.600 -0.204 0.000 1.122 443 E CA -0.821 55.464 56.400 -0.191 0.000 0.873 443 E CB 0.680 30.278 29.700 -0.171 0.000 1.294 443 E HN 0.178 nan 8.360 nan 0.000 0.435 444 R N 1.058 121.325 120.500 -0.390 0.000 2.629 444 R HA 0.396 4.736 4.340 0.000 0.000 0.277 444 R C -0.110 176.088 176.300 -0.171 0.000 1.637 444 R CA -0.216 55.760 56.100 -0.206 0.000 1.663 444 R CB 0.916 31.187 30.300 -0.049 0.000 1.228 444 R HN 0.572 nan 8.270 nan 0.000 0.632 445 S N 1.319 116.966 115.700 -0.089 0.000 2.359 445 S HA -0.222 4.248 4.470 0.000 0.000 0.222 445 S C 1.520 176.172 174.600 0.087 0.000 1.038 445 S CA 1.422 59.616 58.200 -0.012 0.000 1.051 445 S CB 0.067 63.260 63.200 -0.012 0.000 0.944 445 S HN 0.545 nan 8.310 nan 0.000 0.433 446 E N 0.003 120.263 120.200 0.100 0.000 2.038 446 E HA -0.205 4.145 4.350 0.000 0.000 0.195 446 E C 1.899 178.648 176.600 0.248 0.000 1.000 446 E CA 1.148 57.626 56.400 0.129 0.000 0.803 446 E CB -0.271 29.491 29.700 0.103 0.000 0.750 446 E HN 0.679 nan 8.360 nan 0.000 0.448 447 W N 0.452 121.796 121.300 0.073 0.000 2.333 447 W HA -0.266 4.394 4.660 0.000 0.000 0.316 447 W C 1.841 178.479 176.519 0.199 0.000 1.215 447 W CA 0.718 58.142 57.345 0.132 0.000 1.278 447 W CB -0.156 29.436 29.460 0.219 0.000 1.154 447 W HN 0.042 nan 8.180 nan 0.000 0.486 448 F N 0.850 120.799 119.950 -0.001 0.000 2.134 448 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 448 F C 2.682 178.382 175.800 -0.166 0.000 1.097 448 F CA 1.684 59.591 58.000 -0.155 0.000 1.264 448 F CB -1.598 37.370 39.000 -0.053 0.000 1.001 448 F HN -0.083 nan 8.300 nan 0.000 0.479 449 A N -0.506 122.370 122.820 0.093 0.000 1.883 449 A HA -0.283 4.037 4.320 0.000 0.000 0.217 449 A C 2.151 179.639 177.584 -0.161 0.000 1.186 449 A CA 1.941 53.967 52.037 -0.019 0.000 0.624 449 A CB -0.904 18.095 19.000 -0.001 0.000 0.822 449 A HN 0.360 nan 8.150 nan 0.000 0.444 450 Q N 0.241 119.903 119.800 -0.229 0.000 2.050 450 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 450 Q C 1.738 177.252 176.000 -0.811 0.000 0.980 450 Q CA 2.059 57.538 55.803 -0.541 0.000 0.840 450 Q CB -0.537 27.905 28.738 -0.492 0.000 0.898 450 Q HN 0.687 nan 8.270 nan 0.000 0.424 451 I N 0.527 120.723 120.570 -0.623 0.000 2.226 451 I HA -0.275 3.895 4.170 0.000 0.000 0.245 451 I C 1.779 177.774 176.117 -0.203 0.000 1.100 451 I CA 1.114 62.170 61.300 -0.407 0.000 1.374 451 I CB -0.440 37.230 38.000 -0.549 0.000 1.057 451 I HN 0.265 nan 8.210 nan 0.000 0.413 452 N N 0.928 119.506 118.700 -0.204 0.000 2.289 452 N HA -0.200 4.540 4.740 0.000 0.000 0.184 452 N C 1.764 177.225 175.510 -0.083 0.000 1.016 452 N CA 1.071 54.055 53.050 -0.110 0.000 0.872 452 N CB -0.204 38.238 38.487 -0.075 0.000 0.973 452 N HN 0.412 nan 8.380 nan 0.000 0.433 453 K N -0.151 120.155 120.400 -0.157 0.000 2.057 453 K HA -0.096 4.224 4.320 0.000 0.000 0.206 453 K C 1.679 178.280 176.600 0.002 0.000 1.050 453 K CA 0.855 57.063 56.287 -0.133 0.000 0.935 453 K CB -0.014 32.337 32.500 -0.248 0.000 0.715 453 K HN 0.116 nan 8.250 nan 0.000 0.439 454 W N 1.634 122.937 121.300 0.006 0.000 2.402 454 W HA -0.035 4.625 4.660 -0.000 0.000 0.286 454 W C 1.743 178.299 176.519 0.061 0.000 1.221 454 W CA 0.667 58.072 57.345 0.101 0.000 1.257 454 W CB -0.396 29.134 29.460 0.116 0.000 1.120 454 W HN 0.134 nan 8.180 nan 0.000 0.551 455 K N 0.516 121.035 120.400 0.199 0.000 2.057 455 K HA -0.172 4.148 4.320 0.000 0.000 0.207 455 K C 2.467 179.092 176.600 0.043 0.000 1.049 455 K CA 2.351 58.685 56.287 0.079 0.000 0.931 455 K CB -0.296 32.209 32.500 0.009 0.000 0.714 455 K HN 0.065 nan 8.250 nan 0.000 0.440 456 K N 1.460 121.873 120.400 0.021 0.000 2.103 456 K HA -0.168 4.152 4.320 0.000 0.000 0.204 456 K C 1.787 178.364 176.600 -0.038 0.000 1.052 456 K CA 1.819 58.101 56.287 -0.009 0.000 0.945 456 K CB -0.484 32.004 32.500 -0.021 0.000 0.722 456 K HN 0.377 nan 8.250 nan 0.000 0.443 457 E N -1.277 118.874 120.200 -0.081 0.000 2.158 457 E HA -0.035 4.315 4.350 0.000 0.000 0.191 457 E C -0.033 176.339 176.600 -0.380 0.000 0.982 457 E CA 0.709 56.936 56.400 -0.289 0.000 0.823 457 E CB -0.033 29.384 29.700 -0.473 0.000 0.766 457 E HN 0.726 nan 8.360 nan 0.000 0.468 458 Y N 1.689 122.035 120.300 0.078 0.000 2.553 458 Y HA 0.370 4.920 4.550 0.000 0.000 0.369 458 Y C -2.129 173.739 175.900 -0.055 0.000 0.964 458 Y CA -2.525 55.591 58.100 0.027 0.000 1.156 458 Y CB 0.670 39.114 38.460 -0.026 0.000 1.218 458 Y HN 0.124 nan 8.280 nan 0.000 0.630 459 P HA 0.026 nan 4.420 nan 0.000 0.277 459 P C -0.606 176.755 177.300 0.103 0.000 1.271 459 P CA -0.348 62.773 63.100 0.035 0.000 0.795 459 P CB 1.135 32.876 31.700 0.069 0.000 1.101 460 Y N -0.089 120.294 120.300 0.139 0.000 2.603 460 Y HA 0.246 4.796 4.550 0.000 0.000 0.341 460 Y C 1.313 177.381 175.900 0.281 0.000 1.272 460 Y CA -0.815 57.395 58.100 0.184 0.000 1.891 460 Y CB -0.586 37.944 38.460 0.117 0.000 1.910 460 Y HN 0.325 nan 8.280 nan 0.000 0.432 461 A N 3.023 126.053 122.820 0.350 0.000 2.322 461 A HA 0.608 4.928 4.320 0.000 0.000 0.269 461 A C -0.851 176.665 177.584 -0.113 0.000 1.094 461 A CA -0.188 51.947 52.037 0.163 0.000 0.807 461 A CB 0.300 19.458 19.000 0.263 0.000 1.047 461 A HN 0.708 nan 8.150 nan 0.000 0.487 462 Y N -1.526 118.347 120.300 -0.711 0.000 2.713 462 Y HA 0.595 5.145 4.550 -0.000 0.000 0.335 462 Y C -0.836 174.454 175.900 -1.017 0.000 1.222 462 Y CA -1.645 55.632 58.100 -1.372 0.000 1.061 462 Y CB 0.874 38.985 38.460 -0.581 0.000 1.314 462 Y HN 0.568 nan 8.280 nan 0.000 0.453 463 M N 2.997 122.261 119.600 -0.561 0.000 2.292 463 M HA 0.241 4.721 4.480 0.000 0.000 0.342 463 M C -0.619 175.656 176.300 -0.043 0.000 1.538 463 M CA 0.493 55.772 55.300 -0.034 0.000 1.163 463 M CB -0.267 32.459 32.600 0.211 0.000 1.823 463 M HN 0.692 nan 8.290 nan 0.000 0.462 464 E N 2.373 122.460 120.200 -0.189 0.000 2.369 464 E HA 0.143 4.493 4.350 0.000 0.000 0.255 464 E C -0.402 176.183 176.600 -0.025 0.000 1.172 464 E CA -0.554 55.765 56.400 -0.134 0.000 0.932 464 E CB 0.565 30.127 29.700 -0.229 0.000 1.040 464 E HN 0.561 nan 8.360 nan 0.000 0.454 465 E N 0.585 120.778 120.200 -0.012 0.000 2.418 465 E HA 0.058 4.408 4.350 0.000 0.000 0.261 465 E C -0.440 176.154 176.600 -0.010 0.000 1.070 465 E CA 0.436 56.831 56.400 -0.009 0.000 0.931 465 E CB 0.651 30.341 29.700 -0.017 0.000 0.954 465 E HN 0.431 nan 8.360 nan 0.000 0.439 466 T N -0.730 113.823 114.554 -0.001 0.000 2.883 466 T HA 0.563 4.913 4.350 0.000 0.000 0.296 466 T C -2.695 172.005 174.700 0.000 0.000 1.117 466 T CA -2.536 59.564 62.100 0.001 0.000 1.006 466 T CB 1.439 70.314 68.868 0.011 0.000 1.191 466 T HN 0.051 nan 8.240 nan 0.000 0.508 467 P HA 0.294 nan 4.420 nan 0.000 0.262 467 P C 1.194 178.496 177.300 0.003 0.000 1.182 467 P CA 1.445 64.545 63.100 -0.001 0.000 0.761 467 P CB 0.057 31.757 31.700 -0.001 0.000 0.795 468 G N 2.010 110.811 108.800 0.001 0.000 2.234 468 G HA2 -0.270 3.690 3.960 0.000 0.000 0.260 468 G HA3 -0.270 3.690 3.960 0.000 0.000 0.260 468 G C 0.485 175.390 174.900 0.008 0.000 0.987 468 G CA 0.402 45.504 45.100 0.004 0.000 0.625 468 G HN 0.826 nan 8.290 nan 0.000 0.532 469 S N -0.071 115.634 115.700 0.008 0.000 2.632 469 S HA 0.653 5.123 4.470 0.000 0.000 0.267 469 S C 0.487 175.089 174.600 0.005 0.000 1.276 469 S CA 0.068 58.276 58.200 0.013 0.000 0.998 469 S CB 1.576 64.786 63.200 0.017 0.000 0.953 469 S HN 0.495 nan 8.310 nan 0.000 0.547 470 K N 0.520 120.924 120.400 0.007 0.000 2.149 470 K HA 0.327 4.647 4.320 0.000 0.000 0.245 470 K C -0.030 176.557 176.600 -0.021 0.000 1.024 470 K CA -0.323 55.962 56.287 -0.003 0.000 0.899 470 K CB 0.227 32.730 32.500 0.006 0.000 1.038 470 K HN 0.572 nan 8.250 nan 0.000 0.496 471 I N 2.261 122.809 120.570 -0.037 0.000 2.754 471 I HA -0.034 4.136 4.170 0.000 0.000 0.285 471 I C 0.464 176.524 176.117 -0.095 0.000 1.166 471 I CA 0.090 61.353 61.300 -0.062 0.000 1.417 471 I CB 0.427 38.385 38.000 -0.071 0.000 1.382 471 I HN 0.232 nan 8.210 nan 0.000 0.588 472 K N 7.919 128.244 120.400 -0.125 0.000 2.201 472 K HA 0.250 4.570 4.320 0.000 0.000 0.278 472 K C -1.614 174.767 176.600 -0.366 0.000 1.027 472 K CA -1.987 54.169 56.287 -0.218 0.000 0.909 472 K CB 1.103 33.514 32.500 -0.148 0.000 1.062 472 K HN 0.285 nan 8.250 nan 0.000 0.465 473 P HA -0.206 nan 4.420 nan 0.000 0.215 473 P C 0.637 177.506 177.300 -0.718 0.000 1.153 473 P CA 1.539 64.292 63.100 -0.579 0.000 0.853 473 P CB 0.484 31.715 31.700 -0.781 0.000 0.788 474 Q N -0.399 118.701 119.800 -1.166 0.000 2.135 474 Q HA -0.103 4.237 4.340 0.000 0.000 0.204 474 Q C 2.385 177.859 176.000 -0.876 0.000 0.981 474 Q CA 2.276 57.297 55.803 -1.304 0.000 0.856 474 Q CB -1.642 25.754 28.738 -2.237 0.000 0.902 474 Q HN 0.254 nan 8.270 nan 0.000 0.425 475 T N 0.022 114.209 114.554 -0.611 0.000 2.788 475 T HA -0.108 4.242 4.350 0.000 0.000 0.268 475 T C 1.896 176.465 174.700 -0.218 0.000 1.044 475 T CA 1.224 63.159 62.100 -0.274 0.000 1.139 475 T CB -0.254 68.537 68.868 -0.127 0.000 0.867 475 T HN 0.054 nan 8.240 nan 0.000 0.454 476 V N 1.989 121.771 119.914 -0.221 0.000 2.295 476 V HA -0.152 3.968 4.120 0.000 0.000 0.246 476 V C 2.502 178.543 176.094 -0.089 0.000 1.049 476 V CA 1.242 63.461 62.300 -0.136 0.000 1.024 476 V CB -0.605 31.144 31.823 -0.123 0.000 0.648 476 V HN 0.430 nan 8.190 nan 0.000 0.447 477 I N 0.221 120.739 120.570 -0.087 0.000 2.163 477 I HA -0.253 3.917 4.170 0.000 0.000 0.243 477 I C 2.444 178.527 176.117 -0.057 0.000 1.085 477 I CA 1.833 63.155 61.300 0.037 0.000 1.347 477 I CB -1.306 36.760 38.000 0.110 0.000 1.044 477 I HN 0.390 nan 8.210 nan 0.000 0.408 478 K N 0.833 121.148 120.400 -0.142 0.000 2.063 478 K HA -0.185 4.135 4.320 0.000 0.000 0.208 478 K C 2.139 178.624 176.600 -0.191 0.000 1.048 478 K CA 1.357 57.545 56.287 -0.166 0.000 0.928 478 K CB -0.135 32.281 32.500 -0.141 0.000 0.713 478 K HN 0.336 nan 8.250 nan 0.000 0.442 479 K N 0.578 120.890 120.400 -0.148 0.000 2.062 479 K HA -0.101 4.219 4.320 0.000 0.000 0.205 479 K C 2.081 178.599 176.600 -0.138 0.000 1.051 479 K CA 0.747 56.958 56.287 -0.128 0.000 0.941 479 K CB -0.145 32.301 32.500 -0.090 0.000 0.719 479 K HN -0.010 nan 8.250 nan 0.000 0.440 480 L N 1.103 122.266 121.223 -0.100 0.000 2.083 480 L HA -0.148 4.192 4.340 0.000 0.000 0.209 480 L C 2.313 179.009 176.870 -0.291 0.000 1.083 480 L CA 1.672 56.488 54.840 -0.040 0.000 0.752 480 L CB -0.785 41.370 42.059 0.159 0.000 0.899 480 L HN 0.067 nan 8.230 nan 0.000 0.433 481 S N -0.673 114.630 115.700 -0.661 0.000 2.359 481 S HA -0.310 4.160 4.470 0.000 0.000 0.224 481 S C 2.236 176.337 174.600 -0.831 0.000 1.035 481 S CA 1.994 59.310 58.200 -1.473 0.000 1.018 481 S CB -0.353 62.002 63.200 -1.409 0.000 0.876 481 S HN 0.580 nan 8.310 nan 0.000 0.448 482 K N 0.090 120.202 120.400 -0.480 0.000 2.062 482 K HA -0.010 4.310 4.320 0.000 0.000 0.205 482 K C 1.964 178.438 176.600 -0.210 0.000 1.051 482 K CA 1.383 57.486 56.287 -0.306 0.000 0.941 482 K CB -0.219 32.154 32.500 -0.212 0.000 0.719 482 K HN 0.315 nan 8.250 nan 0.000 0.440 483 V N 1.365 121.179 119.914 -0.167 0.000 2.343 483 V HA -0.234 3.886 4.120 0.000 0.000 0.247 483 V C 2.419 178.474 176.094 -0.066 0.000 1.051 483 V CA 1.979 64.228 62.300 -0.084 0.000 1.036 483 V CB -0.611 31.194 31.823 -0.031 0.000 0.654 483 V HN 0.477 nan 8.190 nan 0.000 0.451 484 A N 0.605 123.376 122.820 -0.082 0.000 1.873 484 A HA -0.260 4.060 4.320 0.000 0.000 0.215 484 A C 2.082 179.648 177.584 -0.031 0.000 1.186 484 A CA 2.142 54.178 52.037 -0.001 0.000 0.616 484 A CB -0.856 18.235 19.000 0.150 0.000 0.823 484 A HN 0.637 nan 8.150 nan 0.000 0.442 485 N N 0.227 118.854 118.700 -0.122 0.000 2.120 485 N HA -0.171 4.569 4.740 0.000 0.000 0.188 485 N C 0.925 176.395 175.510 -0.066 0.000 1.024 485 N CA 1.784 54.774 53.050 -0.101 0.000 0.852 485 N CB -0.270 38.106 38.487 -0.185 0.000 1.003 485 N HN 0.359 nan 8.380 nan 0.000 0.424 486 D N -0.964 119.391 120.400 -0.076 0.000 2.350 486 D HA -0.095 4.545 4.640 0.000 0.000 0.216 486 D C 1.652 177.936 176.300 -0.026 0.000 0.968 486 D CA 1.272 55.242 54.000 -0.050 0.000 0.894 486 D CB -0.539 40.228 40.800 -0.055 0.000 0.909 486 D HN 0.585 nan 8.370 nan 0.000 0.520 487 T N -2.868 111.676 114.554 -0.017 0.000 2.915 487 T HA 0.044 4.394 4.350 0.000 0.000 0.269 487 T C 1.892 176.596 174.700 0.007 0.000 1.071 487 T CA 1.323 63.422 62.100 -0.003 0.000 1.132 487 T CB -0.105 68.766 68.868 0.005 0.000 0.878 487 T HN 0.224 nan 8.240 nan 0.000 0.479 488 G N 1.500 110.305 108.800 0.009 0.000 2.199 488 G HA2 -0.265 3.695 3.960 0.000 0.000 0.254 488 G HA3 -0.265 3.695 3.960 0.000 0.000 0.254 488 G C 0.324 175.249 174.900 0.042 0.000 0.982 488 G CA 0.129 45.241 45.100 0.020 0.000 0.632 488 G HN 0.723 nan 8.290 nan 0.000 0.529 489 R N -0.053 120.475 120.500 0.047 0.000 2.541 489 R HA 0.485 4.825 4.340 0.000 0.000 0.263 489 R C 0.268 176.634 176.300 0.110 0.000 1.112 489 R CA -0.681 55.466 56.100 0.077 0.000 1.170 489 R CB 0.444 30.782 30.300 0.064 0.000 1.167 489 R HN 0.357 nan 8.270 nan 0.000 0.582 490 H N 1.088 120.191 119.070 0.055 0.000 2.742 490 H HA 0.183 4.739 4.556 0.000 0.000 0.302 490 H C -1.083 174.298 175.328 0.090 0.000 1.069 490 H CA -0.207 55.885 56.048 0.074 0.000 1.446 490 H CB 0.685 30.486 29.762 0.066 0.000 1.462 490 H HN 0.099 nan 8.280 nan 0.000 0.499 491 V N 8.015 127.758 119.914 -0.286 0.000 2.435 491 V HA 0.302 4.422 4.120 0.000 0.000 0.290 491 V C 0.424 176.425 176.094 -0.153 0.000 1.030 491 V CA -0.664 61.574 62.300 -0.104 0.000 0.881 491 V CB 1.566 33.443 31.823 0.091 0.000 0.983 491 V HN 0.628 nan 8.190 nan 0.000 0.445 492 I N 4.537 125.094 120.570 -0.021 0.000 2.436 492 I HA 0.517 4.687 4.170 0.000 0.000 0.289 492 I C -0.831 175.305 176.117 0.031 0.000 1.010 492 I CA -0.805 60.517 61.300 0.036 0.000 1.098 492 I CB 2.218 40.271 38.000 0.088 0.000 1.266 492 I HN 0.269 nan 8.210 nan 0.000 0.434 493 V N 4.673 124.624 119.914 0.061 0.000 2.448 493 V HA 0.509 4.629 4.120 0.000 0.000 0.295 493 V C 0.210 176.368 176.094 0.108 0.000 1.025 493 V CA -0.398 61.925 62.300 0.039 0.000 0.859 493 V CB 1.991 33.761 31.823 -0.089 0.000 0.988 493 V HN 0.888 nan 8.190 nan 0.000 0.431 494 T N 0.983 115.567 114.554 0.049 0.000 2.942 494 T HA 0.915 5.265 4.350 0.000 0.000 0.289 494 T C -0.216 174.524 174.700 0.065 0.000 1.044 494 T CA -0.283 61.816 62.100 -0.002 0.000 1.023 494 T CB 2.211 71.040 68.868 -0.064 0.000 1.123 494 T HN 0.873 nan 8.240 nan 0.000 0.512 495 T N -1.926 112.671 114.554 0.071 0.000 2.787 495 T HA 0.784 5.134 4.350 0.000 0.000 0.297 495 T C 0.426 175.256 174.700 0.217 0.000 1.221 495 T CA -0.399 61.807 62.100 0.176 0.000 1.006 495 T CB 1.249 70.230 68.868 0.187 0.000 1.328 495 T HN 1.045 nan 8.240 nan 0.000 0.509 496 G N -0.440 108.608 108.800 0.414 0.000 2.641 496 G HA2 0.614 4.574 3.960 0.000 0.000 0.239 496 G HA3 0.614 4.574 3.960 0.000 0.000 0.239 496 G C -1.048 173.961 174.900 0.182 0.000 1.402 496 G CA -0.763 44.541 45.100 0.340 0.000 1.046 496 G HN 0.902 nan 8.290 nan 0.000 0.565 497 V N 0.077 120.068 119.914 0.128 0.000 2.487 497 V HA 0.820 4.940 4.120 0.000 0.000 0.298 497 V C 0.711 176.751 176.094 -0.090 0.000 1.028 497 V CA 0.705 62.964 62.300 -0.068 0.000 0.860 497 V CB 0.517 32.297 31.823 -0.071 0.000 0.991 497 V HN 1.630 nan 8.190 nan 0.000 0.427 498 G N 3.616 112.248 108.800 -0.279 0.000 2.332 498 G HA2 0.019 3.979 3.960 0.000 0.000 0.265 498 G HA3 0.019 3.979 3.960 0.000 0.000 0.265 498 G C -0.014 174.646 174.900 -0.401 0.000 1.329 498 G CA -0.066 44.894 45.100 -0.234 0.000 0.949 498 G HN 0.412 nan 8.290 nan 0.000 0.476 499 Q N -0.784 118.796 119.800 -0.366 0.000 2.084 499 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 499 Q C 2.221 177.843 176.000 -0.630 0.000 0.978 499 Q CA 2.344 57.700 55.803 -0.745 0.000 0.844 499 Q CB -0.278 27.920 28.738 -0.900 0.000 0.898 499 Q HN 0.849 nan 8.270 nan 0.000 0.426 500 H N -0.038 118.993 119.070 -0.065 0.000 2.422 500 H HA -0.152 4.404 4.556 0.000 0.000 0.298 500 H C 2.004 177.416 175.328 0.140 0.000 1.098 500 H CA 1.581 57.759 56.048 0.218 0.000 1.315 500 H CB -0.317 29.548 29.762 0.173 0.000 1.382 500 H HN 0.266 nan 8.280 nan 0.000 0.523 501 Q N 0.055 119.439 119.800 -0.694 0.000 2.046 501 Q HA -0.138 4.202 4.340 0.000 0.000 0.200 501 Q C 1.772 177.723 176.000 -0.083 0.000 0.975 501 Q CA 1.615 57.224 55.803 -0.323 0.000 0.836 501 Q CB 0.066 28.547 28.738 -0.428 0.000 0.896 501 Q HN 0.439 nan 8.270 nan 0.000 0.428 502 M N -0.655 118.801 119.600 -0.241 0.000 2.132 502 M HA -0.153 4.327 4.480 0.000 0.000 0.263 502 M C 1.816 178.038 176.300 -0.129 0.000 1.065 502 M CA 1.066 56.233 55.300 -0.223 0.000 1.122 502 M CB -1.244 31.079 32.600 -0.462 0.000 1.365 502 M HN 0.405 nan 8.290 nan 0.000 0.411 503 W N 0.449 121.712 121.300 -0.063 0.000 2.402 503 W HA 0.009 4.669 4.660 0.000 0.000 0.286 503 W C 2.608 179.165 176.519 0.063 0.000 1.221 503 W CA 1.383 58.722 57.345 -0.009 0.000 1.257 503 W CB -1.283 28.189 29.460 0.019 0.000 1.120 503 W HN 0.290 nan 8.180 nan 0.000 0.551 504 A N 0.561 123.574 122.820 0.321 0.000 1.902 504 A HA -0.021 4.299 4.320 0.000 0.000 0.217 504 A C 2.251 179.997 177.584 0.270 0.000 1.181 504 A CA 2.631 54.858 52.037 0.317 0.000 0.623 504 A CB -1.045 18.157 19.000 0.336 0.000 0.818 504 A HN 0.105 nan 8.150 nan 0.000 0.443 505 A N -0.586 122.343 122.820 0.182 0.000 1.877 505 A HA -0.198 4.122 4.320 0.000 0.000 0.216 505 A C 2.158 179.847 177.584 0.175 0.000 1.186 505 A CA 1.678 53.779 52.037 0.106 0.000 0.620 505 A CB -0.568 18.489 19.000 0.096 0.000 0.822 505 A HN 0.664 nan 8.150 nan 0.000 0.443 506 Q N -1.248 118.503 119.800 -0.082 0.000 2.020 506 Q HA -0.123 4.217 4.340 0.000 0.000 0.198 506 Q C 1.863 177.585 176.000 -0.464 0.000 0.974 506 Q CA 1.395 56.890 55.803 -0.513 0.000 0.829 506 Q CB -0.270 27.709 28.738 -1.266 0.000 0.894 506 Q HN 0.771 nan 8.270 nan 0.000 0.433 507 H N -1.585 117.423 119.070 -0.103 0.000 2.548 507 H HA -0.000 4.556 4.556 0.000 0.000 0.268 507 H C 0.324 175.619 175.328 -0.054 0.000 0.975 507 H CA 0.143 56.157 56.048 -0.058 0.000 1.195 507 H CB 0.079 29.788 29.762 -0.089 0.000 1.397 507 H HN 0.285 nan 8.280 nan 0.000 0.572 508 W N 2.287 123.466 121.300 -0.203 0.000 2.237 508 W HA 0.125 4.785 4.660 0.000 0.000 0.335 508 W C -0.520 175.567 176.519 -0.720 0.000 1.230 508 W CA 0.027 57.040 57.345 -0.554 0.000 1.253 508 W CB 1.032 29.921 29.460 -0.952 0.000 1.129 508 W HN -0.233 nan 8.180 nan 0.000 0.590 509 T N 5.434 119.540 114.554 -0.747 0.000 2.832 509 T HA 0.145 4.495 4.350 0.000 0.000 0.313 509 T C -0.795 173.692 174.700 -0.354 0.000 1.035 509 T CA -0.083 61.761 62.100 -0.426 0.000 0.950 509 T CB -0.233 68.438 68.868 -0.328 0.000 0.984 509 T HN 0.215 nan 8.240 nan 0.000 0.486 510 W N 2.914 124.318 121.300 0.173 0.000 2.287 510 W HA 0.419 5.079 4.660 0.000 0.000 0.313 510 W C 1.375 177.939 176.519 0.076 0.000 1.267 510 W CA -0.789 56.643 57.345 0.145 0.000 1.201 510 W CB 0.792 30.292 29.460 0.067 0.000 1.196 510 W HN 0.533 nan 8.180 nan 0.000 0.536 511 R N 1.103 121.771 120.500 0.279 0.000 2.637 511 R HA 0.103 4.443 4.340 0.000 0.000 0.262 511 R C -0.318 176.058 176.300 0.127 0.000 0.959 511 R CA -0.220 55.962 56.100 0.137 0.000 1.061 511 R CB 0.339 30.675 30.300 0.062 0.000 1.610 511 R HN 0.383 nan 8.270 nan 0.000 0.548 512 N N 2.605 121.416 118.700 0.185 0.000 2.269 512 N HA 0.319 5.059 4.740 0.000 0.000 0.304 512 N C -2.789 172.802 175.510 0.135 0.000 1.072 512 N CA -1.645 51.496 53.050 0.153 0.000 0.802 512 N CB 2.122 40.710 38.487 0.168 0.000 1.348 512 N HN -0.127 nan 8.380 nan 0.000 0.484 513 P HA 0.081 nan 4.420 nan 0.000 0.271 513 P C -0.510 176.746 177.300 -0.073 0.000 1.216 513 P CA 0.515 63.533 63.100 -0.138 0.000 0.776 513 P CB 0.335 31.899 31.700 -0.225 0.000 0.881 514 H N 0.380 119.507 119.070 0.095 0.000 2.886 514 H HA -0.094 4.462 4.556 0.000 0.000 0.294 514 H C 0.700 176.102 175.328 0.124 0.000 1.246 514 H CA 1.318 57.417 56.048 0.084 0.000 1.142 514 H CB -2.702 27.105 29.762 0.075 0.000 1.358 514 H HN 0.611 nan 8.280 nan 0.000 0.406 515 T N -3.976 110.689 114.554 0.186 0.000 3.040 515 T HA 0.251 4.601 4.350 0.000 0.000 0.266 515 T C 0.104 174.941 174.700 0.228 0.000 1.005 515 T CA -0.237 61.982 62.100 0.198 0.000 0.906 515 T CB 0.406 69.399 68.868 0.209 0.000 1.082 515 T HN 0.116 nan 8.240 nan 0.000 0.531 516 F N 2.265 122.125 119.950 -0.149 0.000 2.445 516 F HA 0.665 5.192 4.527 -0.000 0.000 0.348 516 F C -1.250 174.444 175.800 -0.178 0.000 1.125 516 F CA -2.891 54.905 58.000 -0.339 0.000 0.983 516 F CB 1.072 39.515 39.000 -0.928 0.000 1.198 516 F HN 0.036 nan 8.300 nan 0.000 0.436 517 I N 5.748 126.146 120.570 -0.287 0.000 2.405 517 I HA 0.291 4.461 4.170 0.000 0.000 0.280 517 I C -0.218 175.726 176.117 -0.288 0.000 1.027 517 I CA -0.211 60.956 61.300 -0.223 0.000 1.161 517 I CB 1.555 39.525 38.000 -0.049 0.000 1.300 517 I HN 0.498 nan 8.210 nan 0.000 0.463 518 T N 3.253 117.542 114.554 -0.441 0.000 2.903 518 T HA 0.299 4.649 4.350 0.000 0.000 0.299 518 T C -0.744 173.666 174.700 -0.484 0.000 1.093 518 T CA -0.399 61.449 62.100 -0.420 0.000 1.002 518 T CB 2.006 70.386 68.868 -0.813 0.000 1.127 518 T HN 0.390 nan 8.240 nan 0.000 0.488 519 S N 1.780 117.098 115.700 -0.637 0.000 2.416 519 S HA 0.509 4.979 4.470 0.000 0.000 0.287 519 S C 1.127 175.495 174.600 -0.387 0.000 1.139 519 S CA 0.098 57.869 58.200 -0.715 0.000 1.058 519 S CB 0.026 62.723 63.200 -0.838 0.000 0.967 519 S HN 0.865 nan 8.310 nan 0.000 0.495 520 G N 3.905 112.523 108.800 -0.304 0.000 2.763 520 G HA2 0.204 4.164 3.960 0.000 0.000 0.205 520 G HA3 0.204 4.164 3.960 0.000 0.000 0.205 520 G C 1.242 176.050 174.900 -0.153 0.000 1.137 520 G CA 0.416 45.395 45.100 -0.202 0.000 0.839 520 G HN 0.783 nan 8.290 nan 0.000 0.596 521 G N 0.853 109.568 108.800 -0.142 0.000 2.414 521 G HA2 -0.058 3.902 3.960 0.000 0.000 0.215 521 G HA3 -0.058 3.902 3.960 0.000 0.000 0.215 521 G C 1.687 176.531 174.900 -0.093 0.000 1.188 521 G CA 1.136 46.175 45.100 -0.101 0.000 0.783 521 G HN 0.350 nan 8.290 nan 0.000 0.537 522 L N 0.474 121.633 121.223 -0.106 0.000 2.249 522 L HA 0.395 4.735 4.340 0.000 0.000 0.207 522 L C 1.661 178.462 176.870 -0.116 0.000 1.090 522 L CA 1.448 56.235 54.840 -0.088 0.000 0.802 522 L CB -0.245 41.775 42.059 -0.065 0.000 0.947 522 L HN 0.444 nan 8.230 nan 0.000 0.453 523 G N 1.042 109.743 108.800 -0.164 0.000 2.370 523 G HA2 -0.258 3.702 3.960 0.000 0.000 0.295 523 G HA3 -0.258 3.702 3.960 0.000 0.000 0.295 523 G C 0.113 174.925 174.900 -0.146 0.000 1.045 523 G CA 0.477 45.475 45.100 -0.170 0.000 1.199 523 G HN 0.342 nan 8.290 nan 0.000 0.513 524 T N 2.616 117.063 114.554 -0.179 0.000 2.739 524 T HA 0.467 4.817 4.350 0.000 0.000 0.298 524 T C 1.235 175.883 174.700 -0.088 0.000 0.929 524 T CA -0.120 61.911 62.100 -0.115 0.000 1.014 524 T CB 0.584 69.396 68.868 -0.094 0.000 0.914 524 T HN 0.445 nan 8.240 nan 0.000 0.509 525 M N 2.420 121.993 119.600 -0.044 0.000 2.249 525 M HA 0.322 4.802 4.480 0.000 0.000 0.340 525 M C 1.504 177.797 176.300 -0.012 0.000 1.166 525 M CA 0.990 56.287 55.300 -0.005 0.000 1.115 525 M CB 0.324 32.928 32.600 0.005 0.000 1.606 525 M HN 0.985 nan 8.290 nan 0.000 0.448 526 G N 1.444 110.247 108.800 0.005 0.000 2.176 526 G HA2 -0.311 3.649 3.960 0.000 0.000 0.232 526 G HA3 -0.311 3.649 3.960 0.000 0.000 0.232 526 G C 0.363 175.213 174.900 -0.083 0.000 0.986 526 G CA 0.301 45.382 45.100 -0.031 0.000 0.643 526 G HN 0.802 nan 8.290 nan 0.000 0.522 527 Y N 1.719 121.847 120.300 -0.286 0.000 2.242 527 Y HA 0.149 4.699 4.550 0.000 0.000 0.291 527 Y C 2.601 178.378 175.900 -0.205 0.000 1.137 527 Y CA 2.542 60.380 58.100 -0.437 0.000 1.181 527 Y CB -0.601 37.627 38.460 -0.386 0.000 0.989 527 Y HN 0.258 nan 8.280 nan 0.000 0.527 528 G N 0.926 109.698 108.800 -0.047 0.000 2.631 528 G HA2 -0.372 3.588 3.960 0.000 0.000 0.219 528 G HA3 -0.372 3.588 3.960 0.000 0.000 0.219 528 G C 1.610 176.458 174.900 -0.087 0.000 1.214 528 G CA 1.517 46.586 45.100 -0.052 0.000 0.785 528 G HN 0.457 nan 8.290 nan 0.000 0.596 529 L N 2.539 123.755 121.223 -0.011 0.000 1.976 529 L HA 0.048 4.388 4.340 0.000 0.000 0.209 529 L C 0.421 177.264 176.870 -0.046 0.000 1.071 529 L CA 2.375 57.230 54.840 0.025 0.000 0.746 529 L CB -1.210 40.903 42.059 0.090 0.000 0.890 529 L HN 0.182 nan 8.230 nan 0.000 0.432 530 P HA -0.211 nan 4.420 nan 0.000 0.216 530 P C 1.409 178.606 177.300 -0.173 0.000 1.153 530 P CA 2.296 65.349 63.100 -0.078 0.000 0.858 530 P CB -0.216 31.474 31.700 -0.017 0.000 0.789 531 A N 0.531 123.135 122.820 -0.361 0.000 1.933 531 A HA -0.047 4.273 4.320 0.000 0.000 0.218 531 A C 2.541 179.986 177.584 -0.231 0.000 1.175 531 A CA 2.166 53.917 52.037 -0.476 0.000 0.628 531 A CB -1.515 16.849 19.000 -1.060 0.000 0.814 531 A HN 0.244 nan 8.150 nan 0.000 0.444 532 A N 0.086 122.814 122.820 -0.153 0.000 1.902 532 A HA -0.092 4.228 4.320 0.000 0.000 0.217 532 A C 2.112 179.696 177.584 0.001 0.000 1.181 532 A CA 1.533 53.539 52.037 -0.050 0.000 0.623 532 A CB -0.622 18.371 19.000 -0.011 0.000 0.818 532 A HN 0.502 nan 8.150 nan 0.000 0.443 533 I N -0.311 120.265 120.570 0.011 0.000 2.226 533 I HA -0.217 3.953 4.170 0.000 0.000 0.245 533 I C 2.702 178.889 176.117 0.116 0.000 1.100 533 I CA 1.195 62.536 61.300 0.069 0.000 1.374 533 I CB -0.678 37.369 38.000 0.079 0.000 1.057 533 I HN 0.403 nan 8.210 nan 0.000 0.413 534 G N 0.435 109.268 108.800 0.055 0.000 2.418 534 G HA2 -0.215 3.745 3.960 0.000 0.000 0.217 534 G HA3 -0.215 3.745 3.960 0.000 0.000 0.217 534 G C 1.859 176.878 174.900 0.198 0.000 1.158 534 G CA 0.796 45.961 45.100 0.108 0.000 0.771 534 G HN 0.492 nan 8.290 nan 0.000 0.545 535 A N 0.142 123.007 122.820 0.075 0.000 1.930 535 A HA -0.047 4.273 4.320 0.000 0.000 0.217 535 A C 2.288 179.931 177.584 0.097 0.000 1.175 535 A CA 2.164 54.239 52.037 0.063 0.000 0.627 535 A CB -0.379 18.634 19.000 0.022 0.000 0.815 535 A HN 0.421 nan 8.150 nan 0.000 0.443 536 Q N -0.185 119.678 119.800 0.105 0.000 2.119 536 Q HA -0.080 4.260 4.340 0.000 0.000 0.201 536 Q C 1.792 177.874 176.000 0.136 0.000 0.972 536 Q CA 1.932 57.798 55.803 0.105 0.000 0.847 536 Q CB -0.463 28.328 28.738 0.088 0.000 0.903 536 Q HN 0.332 nan 8.270 nan 0.000 0.433 537 V N 0.518 120.553 119.914 0.202 0.000 2.427 537 V HA -0.237 3.883 4.120 0.000 0.000 0.248 537 V C 2.219 178.483 176.094 0.282 0.000 1.051 537 V CA 1.710 64.157 62.300 0.245 0.000 1.048 537 V CB -1.088 30.933 31.823 0.331 0.000 0.666 537 V HN 0.521 nan 8.190 nan 0.000 0.456 538 A N -0.995 122.003 122.820 0.298 0.000 1.930 538 A HA -0.079 4.241 4.320 0.000 0.000 0.217 538 A C 1.407 179.010 177.584 0.032 0.000 1.175 538 A CA 1.239 53.328 52.037 0.087 0.000 0.627 538 A CB -0.052 18.784 19.000 -0.273 0.000 0.815 538 A HN 0.385 nan 8.150 nan 0.000 0.443 539 K N -0.582 119.849 120.400 0.052 0.000 2.606 539 K HA 0.306 4.626 4.320 0.000 0.000 0.196 539 K C -2.518 174.121 176.600 0.065 0.000 1.048 539 K CA -1.947 54.363 56.287 0.039 0.000 1.017 539 K CB 1.059 33.588 32.500 0.048 0.000 1.413 539 K HN 0.086 nan 8.250 nan 0.000 0.568 540 P HA -0.153 nan 4.420 nan 0.000 0.218 540 P C 0.512 177.844 177.300 0.053 0.000 1.146 540 P CA 1.257 64.394 63.100 0.061 0.000 0.813 540 P CB 0.513 32.245 31.700 0.054 0.000 0.778 541 E N -1.338 118.890 120.200 0.048 0.000 2.385 541 E HA 0.064 4.414 4.350 0.000 0.000 0.194 541 E C 0.509 177.156 176.600 0.078 0.000 1.013 541 E CA 0.254 56.684 56.400 0.050 0.000 0.866 541 E CB -0.391 29.330 29.700 0.035 0.000 0.832 541 E HN 0.111 nan 8.360 nan 0.000 0.500 542 S N 0.827 116.593 115.700 0.110 0.000 2.576 542 S HA 0.184 4.654 4.470 0.000 0.000 0.276 542 S C -0.201 174.463 174.600 0.106 0.000 1.339 542 S CA -0.603 57.702 58.200 0.175 0.000 1.039 542 S CB 0.543 63.917 63.200 0.289 0.000 0.902 542 S HN 0.162 nan 8.310 nan 0.000 0.516 543 L N 5.092 126.368 121.223 0.087 0.000 2.325 543 L HA 0.426 4.766 4.340 0.000 0.000 0.284 543 L C -0.931 175.960 176.870 0.035 0.000 1.089 543 L CA 0.095 54.956 54.840 0.035 0.000 0.836 543 L CB 0.153 42.227 42.059 0.024 0.000 1.184 543 L HN 0.362 nan 8.230 nan 0.000 0.444 544 V N 7.283 127.208 119.914 0.019 0.000 2.370 544 V HA 0.462 4.582 4.120 0.000 0.000 0.283 544 V C 0.215 176.308 176.094 -0.002 0.000 1.023 544 V CA -0.391 61.922 62.300 0.023 0.000 0.857 544 V CB 1.237 33.081 31.823 0.036 0.000 0.985 544 V HN 0.621 nan 8.190 nan 0.000 0.443 545 I N 3.811 124.389 120.570 0.014 0.000 2.406 545 I HA 0.403 4.573 4.170 0.000 0.000 0.290 545 I C -0.776 175.377 176.117 0.060 0.000 0.999 545 I CA -0.453 60.871 61.300 0.040 0.000 1.124 545 I CB 2.091 40.140 38.000 0.083 0.000 1.289 545 I HN 0.572 nan 8.210 nan 0.000 0.441 546 D N 7.916 128.370 120.400 0.090 0.000 2.412 546 D HA 0.343 4.983 4.640 0.000 0.000 0.224 546 D C -0.524 175.833 176.300 0.096 0.000 1.093 546 D CA -0.223 53.825 54.000 0.079 0.000 0.850 546 D CB 0.764 41.603 40.800 0.065 0.000 1.046 546 D HN 0.328 nan 8.370 nan 0.000 0.507 547 I N 3.846 124.490 120.570 0.123 0.000 2.294 547 I HA 0.189 4.359 4.170 0.000 0.000 0.295 547 I C 0.366 176.565 176.117 0.137 0.000 1.098 547 I CA -0.299 61.086 61.300 0.143 0.000 1.277 547 I CB 0.503 38.634 38.000 0.218 0.000 1.434 547 I HN 0.300 nan 8.210 nan 0.000 0.498 548 D N 4.250 124.590 120.400 -0.099 0.000 2.340 548 D HA 0.558 5.198 4.640 0.000 0.000 0.243 548 D C -0.067 175.714 176.300 -0.864 0.000 0.988 548 D CA -0.185 53.586 54.000 -0.382 0.000 0.959 548 D CB 2.504 43.192 40.800 -0.187 0.000 1.226 548 D HN 0.511 nan 8.370 nan 0.000 0.509 549 G N -0.264 107.861 108.800 -1.125 0.000 2.441 549 G HA2 0.248 4.208 3.960 0.000 0.000 0.334 549 G HA3 0.248 4.208 3.960 0.000 0.000 0.334 549 G C 0.804 175.571 174.900 -0.222 0.000 1.161 549 G CA -0.470 44.242 45.100 -0.647 0.000 0.935 549 G HN 0.484 nan 8.290 nan 0.000 0.488 550 D N 0.699 121.046 120.400 -0.087 0.000 2.097 550 D HA -0.165 4.475 4.640 0.000 0.000 0.195 550 D C 2.296 178.692 176.300 0.160 0.000 0.989 550 D CA 1.312 55.339 54.000 0.045 0.000 0.827 550 D CB -0.486 40.429 40.800 0.192 0.000 0.966 550 D HN 0.371 nan 8.370 nan 0.000 0.456 551 A N 0.916 123.804 122.820 0.114 0.000 1.898 551 A HA -0.113 4.207 4.320 0.000 0.000 0.216 551 A C 2.537 180.175 177.584 0.091 0.000 1.181 551 A CA 1.876 53.976 52.037 0.106 0.000 0.620 551 A CB -0.682 18.359 19.000 0.069 0.000 0.819 551 A HN 0.260 nan 8.150 nan 0.000 0.442 552 S N -1.138 114.613 115.700 0.085 0.000 2.356 552 S HA -0.142 4.328 4.470 0.000 0.000 0.223 552 S C 1.664 176.312 174.600 0.079 0.000 1.032 552 S CA 1.507 59.756 58.200 0.081 0.000 1.005 552 S CB -0.507 62.767 63.200 0.124 0.000 0.867 552 S HN 0.599 nan 8.310 nan 0.000 0.449 553 F N 3.297 123.205 119.950 -0.069 0.000 2.126 553 F HA -0.119 4.408 4.527 0.000 0.000 0.299 553 F C 2.029 177.830 175.800 0.002 0.000 1.096 553 F CA 1.192 59.145 58.000 -0.077 0.000 1.255 553 F CB -0.538 38.341 39.000 -0.202 0.000 0.997 553 F HN 0.163 nan 8.300 nan 0.000 0.479 554 N N 0.116 118.846 118.700 0.049 0.000 2.272 554 N HA -0.189 4.551 4.740 0.000 0.000 0.185 554 N C 1.944 177.398 175.510 -0.093 0.000 1.014 554 N CA 1.418 54.469 53.050 0.001 0.000 0.870 554 N CB -0.261 38.297 38.487 0.118 0.000 0.975 554 N HN 0.359 nan 8.380 nan 0.000 0.433 555 M N 0.131 119.683 119.600 -0.080 0.000 2.080 555 M HA -0.112 4.368 4.480 0.000 0.000 0.260 555 M C 1.358 177.572 176.300 -0.144 0.000 1.068 555 M CA 1.519 56.766 55.300 -0.088 0.000 1.109 555 M CB -0.888 31.679 32.600 -0.056 0.000 1.342 555 M HN 0.187 nan 8.290 nan 0.000 0.405 556 T N -2.243 112.193 114.554 -0.196 0.000 3.296 556 T HA 0.346 4.696 4.350 0.000 0.000 0.285 556 T C 1.009 175.532 174.700 -0.296 0.000 1.014 556 T CA -0.412 61.567 62.100 -0.202 0.000 0.920 556 T CB -0.540 68.254 68.868 -0.124 0.000 1.143 556 T HN 0.223 nan 8.240 nan 0.000 0.522 557 L N -0.880 120.064 121.223 -0.465 0.000 2.447 557 L HA 0.178 4.518 4.340 0.000 0.000 0.225 557 L C 2.121 178.845 176.870 -0.243 0.000 1.148 557 L CA 1.416 55.874 54.840 -0.636 0.000 0.808 557 L CB -1.891 39.710 42.059 -0.763 0.000 0.928 557 L HN 0.251 nan 8.230 nan 0.000 0.448 558 T N -0.649 113.823 114.554 -0.137 0.000 2.962 558 T HA -0.086 4.264 4.350 0.000 0.000 0.270 558 T C 1.571 176.271 174.700 0.001 0.000 1.088 558 T CA 1.003 63.081 62.100 -0.037 0.000 1.127 558 T CB -0.327 68.538 68.868 -0.005 0.000 0.883 558 T HN 0.456 nan 8.240 nan 0.000 0.493 559 E N 0.947 121.135 120.200 -0.020 0.000 2.516 559 E HA 0.033 4.383 4.350 0.000 0.000 0.199 559 E C 1.830 178.462 176.600 0.053 0.000 1.069 559 E CA -0.001 56.416 56.400 0.029 0.000 0.876 559 E CB -0.238 29.473 29.700 0.019 0.000 0.843 559 E HN 0.376 nan 8.360 nan 0.000 0.530 560 L N 1.252 122.506 121.223 0.051 0.000 2.042 560 L HA -0.194 4.146 4.340 0.000 0.000 0.210 560 L C 2.354 179.283 176.870 0.098 0.000 1.076 560 L CA 2.014 56.917 54.840 0.104 0.000 0.749 560 L CB -1.135 41.007 42.059 0.138 0.000 0.893 560 L HN 0.133 nan 8.230 nan 0.000 0.432 561 S N -2.716 113.036 115.700 0.087 0.000 2.423 561 S HA -0.124 4.346 4.470 0.000 0.000 0.231 561 S C 2.051 176.705 174.600 0.090 0.000 1.014 561 S CA 1.117 59.369 58.200 0.086 0.000 0.965 561 S CB -0.566 62.683 63.200 0.081 0.000 0.785 561 S HN 0.386 nan 8.310 nan 0.000 0.495 562 S N 2.452 118.210 115.700 0.096 0.000 2.382 562 S HA 0.075 4.545 4.470 0.000 0.000 0.228 562 S C 2.320 176.981 174.600 0.101 0.000 1.027 562 S CA 1.014 59.278 58.200 0.107 0.000 0.991 562 S CB -0.791 62.479 63.200 0.117 0.000 0.823 562 S HN 0.789 nan 8.310 nan 0.000 0.469 563 A N 1.169 124.046 122.820 0.095 0.000 1.933 563 A HA -0.050 4.270 4.320 0.000 0.000 0.218 563 A C 2.327 179.961 177.584 0.083 0.000 1.175 563 A CA 1.509 53.601 52.037 0.091 0.000 0.628 563 A CB -0.838 18.217 19.000 0.092 0.000 0.814 563 A HN 0.352 nan 8.150 nan 0.000 0.444 564 V N -0.212 119.751 119.914 0.081 0.000 2.307 564 V HA -0.301 3.819 4.120 0.000 0.000 0.245 564 V C 2.703 178.839 176.094 0.069 0.000 1.045 564 V CA 2.252 64.596 62.300 0.072 0.000 1.024 564 V CB -0.859 31.006 31.823 0.071 0.000 0.651 564 V HN 0.756 nan 8.190 nan 0.000 0.449 565 Q N -0.107 119.739 119.800 0.076 0.000 2.124 565 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 565 Q C 2.119 178.164 176.000 0.076 0.000 0.977 565 Q CA 1.799 57.647 55.803 0.075 0.000 0.850 565 Q CB -0.239 28.550 28.738 0.085 0.000 0.901 565 Q HN 0.647 nan 8.270 nan 0.000 0.429 566 A N -0.350 122.519 122.820 0.082 0.000 2.119 566 A HA 0.179 4.499 4.320 0.000 0.000 0.216 566 A C 1.503 179.128 177.584 0.069 0.000 1.152 566 A CA 0.974 53.059 52.037 0.079 0.000 0.708 566 A CB -0.481 18.577 19.000 0.096 0.000 0.805 566 A HN 0.626 nan 8.150 nan 0.000 0.460 567 G N -0.294 108.545 108.800 0.066 0.000 2.160 567 G HA2 -0.204 3.756 3.960 0.000 0.000 0.244 567 G HA3 -0.204 3.756 3.960 0.000 0.000 0.244 567 G C 0.295 175.231 174.900 0.059 0.000 1.022 567 G CA 0.625 45.759 45.100 0.057 0.000 0.741 567 G HN 1.470 nan 8.290 nan 0.000 0.508 568 T N -0.663 113.931 114.554 0.068 0.000 2.781 568 T HA 0.629 4.979 4.350 0.000 0.000 0.305 568 T C -1.615 173.119 174.700 0.056 0.000 1.001 568 T CA -1.669 60.472 62.100 0.068 0.000 0.950 568 T CB 2.320 71.238 68.868 0.085 0.000 0.955 568 T HN 0.139 nan 8.240 nan 0.000 0.471 569 P HA 0.130 nan 4.420 nan 0.000 0.232 569 P C 0.589 177.893 177.300 0.006 0.000 1.738 569 P CA -0.339 62.776 63.100 0.024 0.000 0.948 569 P CB -0.619 31.089 31.700 0.014 0.000 1.943 570 V N -1.236 118.692 119.914 0.024 0.000 2.740 570 V HA 0.295 4.415 4.120 0.000 0.000 0.303 570 V C 0.357 176.443 176.094 -0.013 0.000 1.054 570 V CA -0.342 61.966 62.300 0.014 0.000 1.106 570 V CB 0.158 32.008 31.823 0.045 0.000 0.957 570 V HN -0.084 nan 8.190 nan 0.000 0.486 571 K N 4.938 125.295 120.400 -0.072 0.000 2.292 571 K HA 0.608 4.928 4.320 0.000 0.000 0.270 571 K C -0.621 176.075 176.600 0.159 0.000 1.062 571 K CA -0.213 55.962 56.287 -0.186 0.000 0.916 571 K CB 0.797 32.892 32.500 -0.674 0.000 1.166 571 K HN 0.755 nan 8.250 nan 0.000 0.458 572 I N 4.341 125.093 120.570 0.304 0.000 2.304 572 I HA 0.228 4.398 4.170 0.000 0.000 0.291 572 I C -0.578 175.625 176.117 0.143 0.000 1.018 572 I CA -1.077 60.335 61.300 0.188 0.000 1.260 572 I CB 0.829 38.847 38.000 0.030 0.000 1.390 572 I HN 0.260 nan 8.210 nan 0.000 0.475 573 L N 8.791 130.046 121.223 0.053 0.000 2.287 573 L HA 0.571 4.911 4.340 0.000 0.000 0.287 573 L C -0.690 176.006 176.870 -0.290 0.000 1.022 573 L CA -0.019 54.701 54.840 -0.200 0.000 0.814 573 L CB 0.978 42.994 42.059 -0.071 0.000 1.217 573 L HN 0.417 nan 8.230 nan 0.000 0.420 574 I N 6.680 127.005 120.570 -0.408 0.000 2.359 574 I HA 0.240 4.410 4.170 0.000 0.000 0.284 574 I C -0.493 175.446 176.117 -0.297 0.000 1.018 574 I CA -0.459 60.563 61.300 -0.464 0.000 1.173 574 I CB 1.220 38.764 38.000 -0.760 0.000 1.326 574 I HN 0.467 nan 8.210 nan 0.000 0.462 575 L N 6.135 127.232 121.223 -0.210 0.000 2.404 575 L HA 0.186 4.526 4.340 0.000 0.000 0.277 575 L C 0.321 177.155 176.870 -0.060 0.000 1.184 575 L CA -0.214 54.571 54.840 -0.093 0.000 1.013 575 L CB -0.428 41.642 42.059 0.019 0.000 1.318 575 L HN 0.546 nan 8.230 nan 0.000 0.435 576 N N 2.887 121.557 118.700 -0.050 0.000 2.402 576 N HA 0.013 4.753 4.740 0.000 0.000 0.252 576 N C 0.506 176.057 175.510 0.069 0.000 1.118 576 N CA -0.152 52.918 53.050 0.033 0.000 0.945 576 N CB 0.581 39.131 38.487 0.105 0.000 1.147 576 N HN 0.449 nan 8.380 nan 0.000 0.495 577 N N 2.161 120.917 118.700 0.092 0.000 2.187 577 N HA 0.041 4.781 4.740 0.000 0.000 0.212 577 N C -0.737 174.844 175.510 0.118 0.000 1.152 577 N CA -0.181 52.931 53.050 0.103 0.000 0.872 577 N CB -0.273 38.288 38.487 0.125 0.000 1.025 577 N HN 0.539 nan 8.380 nan 0.000 0.514 578 E N 0.444 120.723 120.200 0.133 0.000 2.269 578 E HA -0.267 4.083 4.350 0.000 0.000 0.223 578 E C -0.876 175.816 176.600 0.154 0.000 1.244 578 E CA 1.054 57.546 56.400 0.153 0.000 0.713 578 E CB -1.499 28.292 29.700 0.152 0.000 1.178 578 E HN 0.872 nan 8.360 nan 0.000 0.370 579 E N -1.417 118.828 120.200 0.074 0.000 2.422 579 E HA 0.248 4.598 4.350 0.000 0.000 0.280 579 E C -0.978 175.584 176.600 -0.064 0.000 1.091 579 E CA -0.961 55.390 56.400 -0.081 0.000 0.849 579 E CB 0.777 30.381 29.700 -0.159 0.000 1.353 579 E HN 0.054 nan 8.360 nan 0.000 0.449 580 Q N 1.032 120.748 119.800 -0.140 0.000 3.006 580 Q HA 0.201 4.541 4.340 0.000 0.000 0.260 580 Q C 1.069 177.042 176.000 -0.044 0.000 1.356 580 Q CA 0.243 56.013 55.803 -0.055 0.000 1.070 580 Q CB 0.766 29.469 28.738 -0.058 0.000 1.507 580 Q HN 0.798 nan 8.270 nan 0.000 0.568 581 G N 1.812 110.612 108.800 -0.001 0.000 2.624 581 G HA2 -0.366 3.594 3.960 0.000 0.000 0.221 581 G HA3 -0.366 3.594 3.960 0.000 0.000 0.221 581 G C 1.259 176.177 174.900 0.031 0.000 1.169 581 G CA 1.094 46.209 45.100 0.024 0.000 0.771 581 G HN 0.473 nan 8.290 nan 0.000 0.598 582 M N 0.159 119.764 119.600 0.009 0.000 2.213 582 M HA 0.015 4.495 4.480 0.000 0.000 0.263 582 M C 2.452 178.838 176.300 0.143 0.000 1.062 582 M CA 1.090 56.419 55.300 0.048 0.000 1.105 582 M CB -0.132 32.454 32.600 -0.024 0.000 1.385 582 M HN 0.075 nan 8.290 nan 0.000 0.417 583 V N -0.680 119.278 119.914 0.073 0.000 2.407 583 V HA -0.184 3.936 4.120 0.000 0.000 0.245 583 V C 2.377 178.596 176.094 0.207 0.000 1.041 583 V CA 1.965 64.326 62.300 0.103 0.000 1.040 583 V CB -1.541 30.294 31.823 0.020 0.000 0.671 583 V HN 0.681 nan 8.190 nan 0.000 0.455 584 T N -1.395 113.243 114.554 0.140 0.000 2.881 584 T HA -0.306 4.044 4.350 0.000 0.000 0.270 584 T C 1.807 176.694 174.700 0.312 0.000 1.068 584 T CA 1.798 64.034 62.100 0.226 0.000 1.131 584 T CB -0.333 68.498 68.868 -0.062 0.000 0.871 584 T HN 0.535 nan 8.240 nan 0.000 0.479 585 Q N -0.628 119.324 119.800 0.253 0.000 2.084 585 Q HA -0.105 4.235 4.340 0.000 0.000 0.202 585 Q C 1.880 178.027 176.000 0.244 0.000 0.978 585 Q CA 1.485 57.425 55.803 0.229 0.000 0.844 585 Q CB -0.300 28.566 28.738 0.213 0.000 0.898 585 Q HN 0.699 nan 8.270 nan 0.000 0.426 586 W N 0.989 122.402 121.300 0.188 0.000 2.436 586 W HA -0.047 4.613 4.660 -0.000 0.000 0.284 586 W C 2.210 178.952 176.519 0.372 0.000 1.225 586 W CA 1.005 58.549 57.345 0.331 0.000 1.271 586 W CB -0.030 29.644 29.460 0.357 0.000 1.114 586 W HN 0.302 nan 8.180 nan 0.000 0.559 587 Q N -0.779 119.311 119.800 0.483 0.000 2.172 587 Q HA -0.120 4.220 4.340 0.000 0.000 0.200 587 Q C 2.172 178.204 176.000 0.053 0.000 0.964 587 Q CA 1.646 57.663 55.803 0.356 0.000 0.855 587 Q CB -0.401 28.468 28.738 0.218 0.000 0.918 587 Q HN 0.113 nan 8.270 nan 0.000 0.444 588 S N 0.771 116.468 115.700 -0.006 0.000 2.383 588 S HA -0.041 4.429 4.470 0.000 0.000 0.227 588 S C 1.885 176.154 174.600 -0.552 0.000 1.026 588 S CA 0.815 58.767 58.200 -0.414 0.000 0.981 588 S CB -0.018 63.126 63.200 -0.092 0.000 0.818 588 S HN 0.268 nan 8.310 nan 0.000 0.472 589 L N -0.868 120.106 121.223 -0.415 0.000 2.127 589 L HA 0.125 4.465 4.340 0.000 0.000 0.203 589 L C 1.364 177.729 176.870 -0.842 0.000 1.080 589 L CA 1.189 55.590 54.840 -0.732 0.000 0.768 589 L CB -0.222 41.144 42.059 -1.156 0.000 0.924 589 L HN 0.309 nan 8.230 nan 0.000 0.444 590 F N -3.102 116.710 119.950 -0.231 0.000 2.706 590 F HA 0.133 4.660 4.527 0.000 0.000 0.308 590 F C 0.452 175.863 175.800 -0.649 0.000 1.095 590 F CA -0.277 57.474 58.000 -0.415 0.000 1.244 590 F CB 0.353 39.063 39.000 -0.482 0.000 1.063 590 F HN -0.107 nan 8.300 nan 0.000 0.582 591 Y N 0.251 120.585 120.300 0.056 0.000 2.672 591 Y HA 0.262 4.812 4.550 0.000 0.000 0.272 591 Y C 0.015 175.875 175.900 -0.066 0.000 1.055 591 Y CA -1.352 56.759 58.100 0.019 0.000 1.151 591 Y CB -0.610 37.875 38.460 0.042 0.000 1.190 591 Y HN 0.044 nan 8.280 nan 0.000 0.574 592 E N 0.338 120.526 120.200 -0.020 0.000 2.165 592 E HA -0.322 4.028 4.350 0.000 0.000 0.203 592 E C -0.619 176.032 176.600 0.085 0.000 1.335 592 E CA 1.009 57.437 56.400 0.046 0.000 0.708 592 E CB -1.520 28.224 29.700 0.074 0.000 1.105 592 E HN 0.766 nan 8.360 nan 0.000 0.346 593 H N -2.233 116.746 119.070 -0.152 0.000 2.820 593 H HA -0.203 4.353 4.556 0.000 0.000 0.295 593 H C -0.171 174.729 175.328 -0.714 0.000 1.187 593 H CA 1.323 57.110 56.048 -0.435 0.000 1.144 593 H CB -1.029 28.634 29.762 -0.166 0.000 1.354 593 H HN 0.302 nan 8.280 nan 0.000 0.395 594 R N 1.130 121.403 120.500 -0.378 0.000 2.287 594 R HA 0.169 4.509 4.340 0.000 0.000 0.327 594 R C -0.692 175.439 176.300 -0.282 0.000 1.109 594 R CA -0.365 55.589 56.100 -0.244 0.000 1.013 594 R CB 0.223 30.499 30.300 -0.041 0.000 1.126 594 R HN 0.362 nan 8.270 nan 0.000 0.503 595 Y N 0.933 121.308 120.300 0.125 0.000 2.568 595 Y HA 0.023 4.573 4.550 0.000 0.000 0.338 595 Y C 1.058 176.981 175.900 0.037 0.000 1.245 595 Y CA -0.233 57.929 58.100 0.104 0.000 1.667 595 Y CB 0.587 39.169 38.460 0.204 0.000 1.568 595 Y HN 0.365 nan 8.280 nan 0.000 0.471 596 S N 4.311 120.039 115.700 0.047 0.000 2.416 596 S HA 0.064 4.534 4.470 0.000 0.000 0.302 596 S C 0.178 174.753 174.600 -0.042 0.000 1.120 596 S CA -0.322 57.811 58.200 -0.112 0.000 1.067 596 S CB -0.452 62.692 63.200 -0.092 0.000 1.057 596 S HN 0.774 nan 8.310 nan 0.000 0.518 597 H N 1.949 121.093 119.070 0.124 0.000 2.791 597 H HA -0.124 4.432 4.556 0.000 0.000 0.302 597 H C 0.962 176.327 175.328 0.061 0.000 1.198 597 H CA 1.288 57.394 56.048 0.095 0.000 1.145 597 H CB -2.417 27.377 29.762 0.053 0.000 1.385 597 H HN 0.727 nan 8.280 nan 0.000 0.409 598 T N -3.440 111.180 114.554 0.110 0.000 3.134 598 T HA 0.253 4.603 4.350 0.000 0.000 0.260 598 T C 0.258 174.774 174.700 -0.307 0.000 1.027 598 T CA -0.234 61.822 62.100 -0.075 0.000 0.913 598 T CB 0.260 69.057 68.868 -0.119 0.000 1.046 598 T HN 0.424 nan 8.240 nan 0.000 0.553 599 H N 2.534 121.646 119.070 0.071 0.000 2.800 599 H HA 0.488 5.044 4.556 0.000 0.000 0.322 599 H C -0.236 175.146 175.328 0.089 0.000 0.979 599 H CA -0.876 55.210 56.048 0.063 0.000 1.277 599 H CB 1.108 30.916 29.762 0.077 0.000 1.484 599 H HN 0.197 nan 8.280 nan 0.000 0.512 600 Q N 2.943 122.836 119.800 0.154 0.000 2.248 600 Q HA 0.285 4.625 4.340 0.000 0.000 0.263 600 Q C -0.981 175.085 176.000 0.110 0.000 1.007 600 Q CA -1.332 54.545 55.803 0.123 0.000 0.877 600 Q CB 2.372 31.165 28.738 0.092 0.000 1.315 600 Q HN 0.542 nan 8.270 nan 0.000 0.454 601 L N 2.849 124.119 121.223 0.079 0.000 2.315 601 L HA 0.310 4.650 4.340 0.000 0.000 0.283 601 L C -0.737 176.141 176.870 0.014 0.000 1.089 601 L CA 0.113 54.980 54.840 0.045 0.000 0.833 601 L CB 0.068 42.145 42.059 0.031 0.000 1.170 601 L HN 0.515 nan 8.230 nan 0.000 0.442 602 N N 6.288 124.974 118.700 -0.023 0.000 2.493 602 N HA 0.490 5.230 4.740 0.000 0.000 0.275 602 N C -2.296 173.056 175.510 -0.264 0.000 1.186 602 N CA -0.945 52.024 53.050 -0.134 0.000 0.978 602 N CB 0.603 38.970 38.487 -0.200 0.000 1.184 602 N HN 0.523 nan 8.380 nan 0.000 0.487 603 P HA 0.161 nan 4.420 nan 0.000 0.284 603 P C -0.801 176.201 177.300 -0.496 0.000 1.292 603 P CA -0.423 62.496 63.100 -0.302 0.000 0.800 603 P CB 0.893 32.497 31.700 -0.161 0.000 1.188 604 D N 0.107 120.350 120.400 -0.261 0.000 2.344 604 D HA 0.061 4.701 4.640 0.000 0.000 0.253 604 D C 0.862 177.090 176.300 -0.121 0.000 1.255 604 D CA -0.171 53.709 54.000 -0.199 0.000 0.894 604 D CB -0.105 40.652 40.800 -0.072 0.000 1.067 604 D HN 0.175 nan 8.370 nan 0.000 0.492 605 F N 2.589 122.566 119.950 0.045 0.000 2.171 605 F HA -0.198 4.329 4.527 0.000 0.000 0.300 605 F C 2.114 177.934 175.800 0.035 0.000 1.090 605 F CA 0.130 58.159 58.000 0.049 0.000 1.293 605 F CB 0.003 38.993 39.000 -0.016 0.000 1.013 605 F HN 0.387 nan 8.300 nan 0.000 0.486 606 I N 0.491 121.172 120.570 0.184 0.000 2.252 606 I HA -0.234 3.936 4.170 0.000 0.000 0.245 606 I C 2.060 178.234 176.117 0.096 0.000 1.102 606 I CA 1.512 62.880 61.300 0.113 0.000 1.385 606 I CB -0.664 37.378 38.000 0.071 0.000 1.064 606 I HN -0.025 nan 8.210 nan 0.000 0.414 607 K N -0.352 120.093 120.400 0.076 0.000 2.217 607 K HA -0.113 4.207 4.320 0.000 0.000 0.202 607 K C 2.007 178.656 176.600 0.081 0.000 1.051 607 K CA 0.890 57.214 56.287 0.061 0.000 0.952 607 K CB -0.243 32.277 32.500 0.034 0.000 0.736 607 K HN 0.164 nan 8.250 nan 0.000 0.453 608 L N 1.038 122.330 121.223 0.116 0.000 2.044 608 L HA -0.060 4.280 4.340 0.000 0.000 0.205 608 L C 2.210 179.176 176.870 0.161 0.000 1.075 608 L CA 1.686 56.616 54.840 0.149 0.000 0.747 608 L CB -0.666 41.533 42.059 0.234 0.000 0.903 608 L HN 0.076 nan 8.230 nan 0.000 0.435 609 A N -0.524 122.405 122.820 0.180 0.000 1.873 609 A HA -0.284 4.036 4.320 0.000 0.000 0.218 609 A C 2.205 179.858 177.584 0.115 0.000 1.193 609 A CA 2.158 54.289 52.037 0.157 0.000 0.629 609 A CB -0.825 18.256 19.000 0.135 0.000 0.826 609 A HN 0.618 nan 8.150 nan 0.000 0.447 610 E N -0.570 119.688 120.200 0.095 0.000 2.106 610 E HA -0.047 4.303 4.350 0.000 0.000 0.192 610 E C 2.232 178.874 176.600 0.070 0.000 0.984 610 E CA 0.876 57.321 56.400 0.075 0.000 0.806 610 E CB -0.258 29.480 29.700 0.062 0.000 0.750 610 E HN 0.632 nan 8.360 nan 0.000 0.458 611 A N 0.722 123.587 122.820 0.074 0.000 1.969 611 A HA -0.134 4.186 4.320 0.000 0.000 0.218 611 A C 1.997 179.623 177.584 0.070 0.000 1.169 611 A CA 1.017 53.093 52.037 0.065 0.000 0.635 611 A CB -0.143 18.895 19.000 0.063 0.000 0.810 611 A HN 0.135 nan 8.150 nan 0.000 0.445 612 M N -1.550 118.101 119.600 0.085 0.000 2.595 612 M HA 0.106 4.586 4.480 0.000 0.000 0.248 612 M C 1.458 177.807 176.300 0.080 0.000 1.119 612 M CA 1.106 56.458 55.300 0.087 0.000 1.079 612 M CB -0.608 32.058 32.600 0.110 0.000 1.472 612 M HN 0.777 nan 8.290 nan 0.000 0.501 613 G N 1.619 110.464 108.800 0.075 0.000 2.148 613 G HA2 -0.176 3.784 3.960 0.000 0.000 0.203 613 G HA3 -0.176 3.784 3.960 0.000 0.000 0.203 613 G C -0.033 174.908 174.900 0.069 0.000 0.993 613 G CA 0.253 45.393 45.100 0.067 0.000 0.661 613 G HN 0.487 nan 8.290 nan 0.000 0.518 614 L N -2.796 118.475 121.223 0.080 0.000 2.279 614 L HA 0.898 5.238 4.340 0.000 0.000 0.262 614 L C 0.299 177.216 176.870 0.079 0.000 1.019 614 L CA -1.547 53.340 54.840 0.080 0.000 0.823 614 L CB 1.281 43.396 42.059 0.093 0.000 1.358 614 L HN 0.032 nan 8.230 nan 0.000 0.432 615 K N 0.188 120.635 120.400 0.077 0.000 2.368 615 K HA 0.519 4.839 4.320 0.000 0.000 0.282 615 K C -0.235 176.417 176.600 0.087 0.000 1.035 615 K CA 0.023 56.356 56.287 0.076 0.000 0.973 615 K CB 0.845 33.389 32.500 0.074 0.000 0.957 615 K HN 0.917 nan 8.250 nan 0.000 0.474 616 G N 4.255 113.100 108.800 0.075 0.000 2.461 616 G HA2 0.599 4.559 3.960 0.000 0.000 0.323 616 G HA3 0.599 4.559 3.960 0.000 0.000 0.323 616 G C -1.262 173.668 174.900 0.050 0.000 1.229 616 G CA -0.742 44.398 45.100 0.068 0.000 0.941 616 G HN 0.538 nan 8.290 nan 0.000 0.477 617 L N 1.129 122.369 121.223 0.028 0.000 2.388 617 L HA 0.728 5.068 4.340 0.000 0.000 0.264 617 L C -0.081 176.770 176.870 -0.032 0.000 0.998 617 L CA -1.045 53.798 54.840 0.004 0.000 0.817 617 L CB 2.915 44.978 42.059 0.008 0.000 1.338 617 L HN 0.542 nan 8.230 nan 0.000 0.414 618 R N 1.326 121.811 120.500 -0.026 0.000 2.673 618 R HA 0.814 5.154 4.340 0.000 0.000 0.281 618 R C -2.176 174.101 176.300 -0.038 0.000 0.991 618 R CA -0.530 55.550 56.100 -0.033 0.000 0.896 618 R CB 2.789 33.090 30.300 0.001 0.000 1.201 618 R HN 0.424 nan 8.270 nan 0.000 0.457 619 V N 4.354 124.236 119.914 -0.053 0.000 2.760 619 V HA 0.449 4.569 4.120 0.000 0.000 0.309 619 V C -0.692 175.379 176.094 -0.038 0.000 1.077 619 V CA -0.329 61.943 62.300 -0.047 0.000 0.910 619 V CB 2.146 33.929 31.823 -0.067 0.000 1.008 619 V HN 0.986 nan 8.190 nan 0.000 0.424 620 K N 3.345 123.729 120.400 -0.026 0.000 2.504 620 K HA 0.357 4.677 4.320 0.000 0.000 0.203 620 K C -0.049 176.538 176.600 -0.021 0.000 1.350 620 K CA -0.212 56.064 56.287 -0.019 0.000 0.953 620 K CB 0.845 33.340 32.500 -0.009 0.000 1.243 620 K HN 0.459 nan 8.250 nan 0.000 0.534 621 K N 1.978 122.366 120.400 -0.021 0.000 2.201 621 K HA 0.187 4.507 4.320 0.000 0.000 0.278 621 K C 0.604 177.189 176.600 -0.025 0.000 1.027 621 K CA -0.183 56.093 56.287 -0.019 0.000 0.909 621 K CB 1.426 33.917 32.500 -0.014 0.000 1.062 621 K HN 0.045 nan 8.250 nan 0.000 0.465 622 Q N 1.716 121.501 119.800 -0.025 0.000 2.096 622 Q HA -0.255 4.085 4.340 0.000 0.000 0.208 622 Q C 1.475 177.458 176.000 -0.028 0.000 0.993 622 Q CA 1.830 57.615 55.803 -0.029 0.000 0.862 622 Q CB 0.034 28.757 28.738 -0.026 0.000 0.915 622 Q HN 0.616 nan 8.270 nan 0.000 0.416 623 E N 0.597 120.784 120.200 -0.022 0.000 2.478 623 E HA -0.167 4.183 4.350 0.000 0.000 0.198 623 E C 0.672 177.261 176.600 -0.019 0.000 1.046 623 E CA 0.902 57.291 56.400 -0.019 0.000 0.870 623 E CB 0.031 29.722 29.700 -0.015 0.000 0.818 623 E HN 0.505 nan 8.360 nan 0.000 0.527 624 E N -0.056 120.132 120.200 -0.021 0.000 2.476 624 E HA 0.058 4.408 4.350 0.000 0.000 0.199 624 E C 1.582 178.166 176.600 -0.026 0.000 1.021 624 E CA -0.266 56.123 56.400 -0.020 0.000 0.907 624 E CB 0.168 29.857 29.700 -0.019 0.000 0.974 624 E HN 0.059 nan 8.360 nan 0.000 0.489 625 L N 1.828 123.030 121.223 -0.034 0.000 1.994 625 L HA -0.199 4.141 4.340 0.000 0.000 0.208 625 L C 1.542 178.392 176.870 -0.034 0.000 1.071 625 L CA 1.975 56.788 54.840 -0.044 0.000 0.745 625 L CB -0.316 41.711 42.059 -0.053 0.000 0.892 625 L HN 0.009 nan 8.230 nan 0.000 0.431 626 D N -0.067 120.317 120.400 -0.028 0.000 2.106 626 D HA -0.221 4.419 4.640 0.000 0.000 0.191 626 D C 2.131 178.427 176.300 -0.006 0.000 0.997 626 D CA 1.775 55.763 54.000 -0.020 0.000 0.834 626 D CB -0.297 40.490 40.800 -0.022 0.000 0.956 626 D HN 0.507 nan 8.370 nan 0.000 0.448 627 A N 1.175 123.992 122.820 -0.005 0.000 1.933 627 A HA -0.177 4.143 4.320 0.000 0.000 0.218 627 A C 2.088 179.682 177.584 0.017 0.000 1.175 627 A CA 1.319 53.359 52.037 0.005 0.000 0.628 627 A CB -0.206 18.795 19.000 0.002 0.000 0.814 627 A HN 0.012 nan 8.150 nan 0.000 0.444 628 K N -0.201 120.203 120.400 0.006 0.000 2.097 628 K HA 0.039 4.359 4.320 0.000 0.000 0.205 628 K C 1.900 178.529 176.600 0.049 0.000 1.050 628 K CA 0.902 57.195 56.287 0.011 0.000 0.938 628 K CB -0.595 31.886 32.500 -0.032 0.000 0.718 628 K HN 0.550 nan 8.250 nan 0.000 0.442 629 L N 0.629 121.875 121.223 0.039 0.000 2.046 629 L HA -0.191 4.149 4.340 0.000 0.000 0.208 629 L C 2.429 179.393 176.870 0.157 0.000 1.077 629 L CA 1.247 56.153 54.840 0.110 0.000 0.747 629 L CB -0.319 41.774 42.059 0.057 0.000 0.896 629 L HN 0.085 nan 8.230 nan 0.000 0.432 630 K N 0.051 120.500 120.400 0.083 0.000 2.057 630 K HA -0.219 4.101 4.320 0.000 0.000 0.207 630 K C 2.088 178.736 176.600 0.079 0.000 1.049 630 K CA 1.339 57.664 56.287 0.063 0.000 0.931 630 K CB -0.052 32.467 32.500 0.031 0.000 0.714 630 K HN 0.210 nan 8.250 nan 0.000 0.440 631 E N -0.542 119.712 120.200 0.092 0.000 2.077 631 E HA -0.208 4.142 4.350 0.000 0.000 0.193 631 E C 1.788 178.477 176.600 0.149 0.000 0.989 631 E CA 0.928 57.384 56.400 0.094 0.000 0.800 631 E CB -0.123 29.626 29.700 0.082 0.000 0.746 631 E HN 0.212 nan 8.360 nan 0.000 0.452 632 F N 1.556 121.509 119.950 0.004 0.000 2.025 632 F HA -0.262 4.265 4.527 -0.000 0.000 0.297 632 F C 2.314 178.124 175.800 0.017 0.000 1.132 632 F CA 2.083 60.087 58.000 0.007 0.000 1.191 632 F CB -1.017 37.986 39.000 0.004 0.000 0.963 632 F HN 0.020 nan 8.300 nan 0.000 0.481 633 V N -2.313 117.561 119.914 -0.068 0.000 2.913 633 V HA -0.097 4.023 4.120 0.000 0.000 0.260 633 V C 1.914 177.950 176.094 -0.096 0.000 1.098 633 V CA 2.052 64.239 62.300 -0.188 0.000 1.121 633 V CB -0.951 30.834 31.823 -0.063 0.000 0.714 633 V HN 0.347 nan 8.190 nan 0.000 0.487 634 S N -0.227 115.455 115.700 -0.030 0.000 2.528 634 S HA 0.107 4.577 4.470 0.000 0.000 0.219 634 S C 1.010 175.603 174.600 -0.013 0.000 0.985 634 S CA 0.531 58.723 58.200 -0.013 0.000 0.914 634 S CB -0.253 62.952 63.200 0.010 0.000 0.776 634 S HN 0.738 nan 8.310 nan 0.000 0.526 635 T N 3.561 118.104 114.554 -0.018 0.000 2.888 635 T HA 0.149 4.499 4.350 0.000 0.000 0.301 635 T C 0.062 174.750 174.700 -0.020 0.000 1.001 635 T CA 0.336 62.433 62.100 -0.004 0.000 1.147 635 T CB 0.485 69.363 68.868 0.018 0.000 0.931 635 T HN 0.195 nan 8.240 nan 0.000 0.541 636 K N 2.053 122.453 120.400 -0.001 0.000 2.143 636 K HA 0.582 4.902 4.320 0.000 0.000 0.272 636 K C 0.719 177.324 176.600 0.008 0.000 1.001 636 K CA -0.431 55.857 56.287 0.001 0.000 0.915 636 K CB 1.282 33.788 32.500 0.009 0.000 1.047 636 K HN 0.929 nan 8.250 nan 0.000 0.458 637 G N 2.648 111.453 108.800 0.010 0.000 2.699 637 G HA2 -0.139 3.821 3.960 0.000 0.000 0.686 637 G HA3 -0.139 3.821 3.960 0.000 0.000 0.686 637 G C -2.949 171.962 174.900 0.019 0.000 1.301 637 G CA -1.238 43.875 45.100 0.021 0.000 0.816 637 G HN 0.421 nan 8.290 nan 0.000 0.595 638 P HA 0.487 nan 4.420 nan 0.000 0.271 638 P C -0.351 176.985 177.300 0.061 0.000 1.216 638 P CA -0.046 63.080 63.100 0.045 0.000 0.776 638 P CB 1.846 33.585 31.700 0.064 0.000 0.881 639 V N 4.455 124.415 119.914 0.078 0.000 2.932 639 V HA 0.518 4.638 4.120 0.000 0.000 0.307 639 V C -1.548 174.689 176.094 0.239 0.000 1.147 639 V CA -1.097 61.288 62.300 0.141 0.000 0.951 639 V CB 2.211 34.124 31.823 0.150 0.000 1.031 639 V HN 0.480 nan 8.190 nan 0.000 0.426 640 L N 6.437 127.772 121.223 0.187 0.000 2.333 640 L HA 0.765 5.105 4.340 0.000 0.000 0.280 640 L C -1.547 175.320 176.870 -0.005 0.000 1.004 640 L CA -0.761 54.136 54.840 0.096 0.000 0.820 640 L CB 1.590 43.646 42.059 -0.005 0.000 1.247 640 L HN 0.776 nan 8.230 nan 0.000 0.416 641 L N 4.970 126.059 121.223 -0.224 0.000 2.319 641 L HA 0.476 4.816 4.340 0.000 0.000 0.281 641 L C -0.597 176.039 176.870 -0.390 0.000 1.005 641 L CA 0.035 54.625 54.840 -0.417 0.000 0.828 641 L CB 1.623 43.087 42.059 -0.992 0.000 1.227 641 L HN 0.692 nan 8.230 nan 0.000 0.415 642 E N 4.448 124.506 120.200 -0.238 0.000 2.146 642 E HA 0.465 4.815 4.350 0.000 0.000 0.282 642 E C -1.585 174.925 176.600 -0.150 0.000 0.989 642 E CA -0.614 55.670 56.400 -0.193 0.000 0.799 642 E CB 1.371 31.051 29.700 -0.034 0.000 1.088 642 E HN 0.560 nan 8.360 nan 0.000 0.397 643 V N 5.050 124.868 119.914 -0.160 0.000 2.357 643 V HA 0.187 4.307 4.120 0.000 0.000 0.284 643 V C -0.204 175.850 176.094 -0.068 0.000 1.018 643 V CA -0.739 61.490 62.300 -0.119 0.000 0.841 643 V CB 1.413 33.151 31.823 -0.142 0.000 0.991 643 V HN 0.725 nan 8.190 nan 0.000 0.437 644 E N 3.369 123.547 120.200 -0.037 0.000 2.217 644 E HA 0.386 4.736 4.350 0.000 0.000 0.279 644 E C -0.245 176.341 176.600 -0.023 0.000 1.068 644 E CA -0.141 56.254 56.400 -0.008 0.000 0.882 644 E CB 1.496 31.200 29.700 0.006 0.000 1.039 644 E HN 0.653 nan 8.360 nan 0.000 0.418 645 V N 0.166 120.071 119.914 -0.015 0.000 3.103 645 V HA 0.420 4.540 4.120 0.000 0.000 0.318 645 V C 0.218 176.308 176.094 -0.007 0.000 1.114 645 V CA -1.209 61.069 62.300 -0.037 0.000 1.020 645 V CB 1.921 33.702 31.823 -0.069 0.000 1.085 645 V HN 0.438 nan 8.190 nan 0.000 0.446 646 D N 1.109 121.495 120.400 -0.024 0.000 2.378 646 D HA 0.235 4.875 4.640 0.000 0.000 0.238 646 D C -0.138 176.193 176.300 0.051 0.000 1.180 646 D CA 0.299 54.308 54.000 0.014 0.000 0.895 646 D CB 0.782 41.584 40.800 0.003 0.000 1.192 646 D HN 0.673 nan 8.370 nan 0.000 0.438 647 K N 1.465 121.914 120.400 0.082 0.000 2.166 647 K HA 0.275 4.595 4.320 0.000 0.000 0.245 647 K C 0.113 176.782 176.600 0.116 0.000 0.967 647 K CA -0.877 55.473 56.287 0.105 0.000 0.863 647 K CB 1.157 33.724 32.500 0.112 0.000 1.107 647 K HN 0.164 nan 8.250 nan 0.000 0.436 648 K N -0.331 120.135 120.400 0.111 0.000 3.077 648 K HA -0.135 4.185 4.320 0.000 0.000 0.264 648 K C -0.915 175.788 176.600 0.172 0.000 1.008 648 K CA 0.353 56.711 56.287 0.119 0.000 0.740 648 K CB -2.173 30.391 32.500 0.106 0.000 1.273 648 K HN 0.391 nan 8.250 nan 0.000 0.477 649 V N 2.350 122.399 119.914 0.225 0.000 2.350 649 V HA 0.258 4.378 4.120 0.000 0.000 0.276 649 V C -1.322 175.005 176.094 0.389 0.000 1.028 649 V CA -1.401 61.066 62.300 0.279 0.000 0.860 649 V CB 1.493 33.446 31.823 0.216 0.000 0.990 649 V HN 0.103 nan 8.190 nan 0.000 0.453 650 P HA 0.263 nan 4.420 nan 0.000 0.277 650 P C -0.630 176.854 177.300 0.307 0.000 1.240 650 P CA -0.242 63.010 63.100 0.252 0.000 0.798 650 P CB 1.622 33.439 31.700 0.196 0.000 0.979 651 V N 3.794 123.729 119.914 0.035 0.000 2.461 651 V HA 0.288 4.408 4.120 0.000 0.000 0.275 651 V C 0.629 176.758 176.094 0.059 0.000 1.047 651 V CA -0.005 62.203 62.300 -0.153 0.000 0.955 651 V CB 0.238 31.538 31.823 -0.872 0.000 0.988 651 V HN 0.396 nan 8.190 nan 0.000 0.471 652 L N 6.090 127.448 121.223 0.225 0.000 2.415 652 L HA 0.571 4.911 4.340 0.000 0.000 0.256 652 L C -2.545 174.520 176.870 0.324 0.000 1.010 652 L CA -1.974 53.053 54.840 0.312 0.000 0.826 652 L CB 2.771 45.050 42.059 0.367 0.000 1.405 652 L HN 0.398 nan 8.230 nan 0.000 0.410 653 P HA 0.227 nan 4.420 nan 0.000 0.271 653 P C -1.172 176.302 177.300 0.291 0.000 1.244 653 P CA -0.304 62.941 63.100 0.242 0.000 0.793 653 P CB 0.535 32.232 31.700 -0.005 0.000 0.984 654 M N 0.526 120.266 119.600 0.234 0.000 2.322 654 M HA 0.401 4.881 4.480 0.000 0.000 0.286 654 M C -2.060 174.285 176.300 0.075 0.000 1.111 654 M CA -0.736 54.639 55.300 0.125 0.000 0.941 654 M CB 1.766 34.460 32.600 0.156 0.000 1.671 654 M HN -0.094 nan 8.290 nan 0.000 0.470 655 V N 4.148 124.054 119.914 -0.013 0.000 2.376 655 V HA 0.947 5.067 4.120 0.000 0.000 0.287 655 V C -0.473 175.617 176.094 -0.007 0.000 1.015 655 V CA -0.348 61.963 62.300 0.020 0.000 0.834 655 V CB 1.047 32.887 31.823 0.028 0.000 1.001 655 V HN 0.934 nan 8.190 nan 0.000 0.428 656 A N 3.478 126.308 122.820 0.016 0.000 2.594 656 A HA 1.002 5.322 4.320 0.000 0.000 0.291 656 A C 0.393 177.990 177.584 0.021 0.000 1.105 656 A CA 0.120 52.176 52.037 0.031 0.000 0.694 656 A CB 1.589 20.589 19.000 0.001 0.000 1.291 656 A HN 2.038 nan 8.150 nan 0.000 0.410 657 G N 0.330 109.131 108.800 0.002 0.000 2.523 657 G HA2 0.146 4.106 3.960 0.000 0.000 0.271 657 G HA3 0.146 4.106 3.960 0.000 0.000 0.271 657 G C 1.067 175.965 174.900 -0.004 0.000 1.146 657 G CA 0.734 45.818 45.100 -0.026 0.000 0.961 657 G HN 2.206 nan 8.290 nan 0.000 0.549 658 G N 0.280 109.077 108.800 -0.004 0.000 3.189 658 G HA2 0.470 4.430 3.960 0.000 0.000 0.225 658 G HA3 0.470 4.430 3.960 0.000 0.000 0.225 658 G C 0.694 175.596 174.900 0.004 0.000 1.159 658 G CA 1.368 46.468 45.100 -0.000 0.000 0.763 658 G HN 1.100 nan 8.290 nan 0.000 0.549 659 S N 0.115 115.819 115.700 0.005 0.000 2.572 659 S HA 0.489 4.959 4.470 0.000 0.000 0.279 659 S C 0.899 175.508 174.600 0.015 0.000 1.341 659 S CA -0.076 58.125 58.200 0.002 0.000 1.043 659 S CB 1.462 64.663 63.200 0.002 0.000 0.887 659 S HN 0.393 nan 8.310 nan 0.000 0.516 660 G N 0.517 109.324 108.800 0.012 0.000 2.528 660 G HA2 0.431 4.391 3.960 0.000 0.000 0.289 660 G HA3 0.431 4.391 3.960 0.000 0.000 0.289 660 G C 0.775 175.702 174.900 0.044 0.000 1.192 660 G CA -0.824 44.296 45.100 0.034 0.000 0.921 660 G HN 0.706 nan 8.290 nan 0.000 0.512 661 L N 0.049 121.313 121.223 0.068 0.000 2.261 661 L HA -0.086 4.254 4.340 0.000 0.000 0.216 661 L C 2.073 179.006 176.870 0.104 0.000 1.114 661 L CA 1.449 56.331 54.840 0.070 0.000 0.777 661 L CB -0.161 41.935 42.059 0.061 0.000 0.910 661 L HN 0.681 nan 8.230 nan 0.000 0.440 662 D N -1.182 119.246 120.400 0.046 0.000 2.339 662 D HA -0.098 4.542 4.640 0.000 0.000 0.217 662 D C 0.743 176.953 176.300 -0.149 0.000 1.050 662 D CA 0.236 54.250 54.000 0.024 0.000 0.856 662 D CB -0.125 40.637 40.800 -0.063 0.000 0.922 662 D HN 0.324 nan 8.370 nan 0.000 0.518 663 E N 0.527 120.660 120.200 -0.110 0.000 2.434 663 E HA 0.170 4.520 4.350 0.000 0.000 0.243 663 E C -0.416 176.071 176.600 -0.188 0.000 1.250 663 E CA -0.637 55.635 56.400 -0.212 0.000 1.568 663 E CB -0.215 29.421 29.700 -0.105 0.000 1.435 663 E HN 0.349 nan 8.360 nan 0.000 0.432 664 F N -0.774 119.118 119.950 -0.098 0.000 2.380 664 F HA 0.439 4.966 4.527 0.000 0.000 0.325 664 F C 0.199 175.970 175.800 -0.049 0.000 1.136 664 F CA -1.199 56.754 58.000 -0.078 0.000 1.171 664 F CB 0.361 39.297 39.000 -0.106 0.000 1.230 664 F HN -0.183 nan 8.300 nan 0.000 0.554 665 I N 2.020 122.712 120.570 0.203 0.000 2.365 665 I HA 0.204 4.374 4.170 0.000 0.000 0.291 665 I C -0.056 176.256 176.117 0.325 0.000 1.004 665 I CA -0.277 61.108 61.300 0.143 0.000 1.311 665 I CB 1.058 39.106 38.000 0.081 0.000 1.401 665 I HN 0.761 nan 8.210 nan 0.000 0.491 666 N N 4.084 122.963 118.700 0.297 0.000 2.404 666 N HA 0.354 5.095 4.740 0.000 0.000 0.297 666 N C -0.871 174.821 175.510 0.303 0.000 1.163 666 N CA -0.744 52.535 53.050 0.383 0.000 0.864 666 N CB 1.586 40.350 38.487 0.462 0.000 1.247 666 N HN 0.338 nan 8.380 nan 0.000 0.510 667 F N 1.862 121.948 119.950 0.226 0.000 2.572 667 F HA 0.161 4.688 4.527 0.000 0.000 0.370 667 F C -0.257 175.631 175.800 0.147 0.000 1.103 667 F CA 0.211 58.325 58.000 0.189 0.000 1.286 667 F CB 0.472 39.601 39.000 0.215 0.000 1.105 667 F HN 0.342 nan 8.300 nan 0.000 0.583 668 D N 8.192 128.022 120.400 -0.949 0.000 2.613 668 D HA 0.218 4.858 4.640 0.000 0.000 0.230 668 D C -2.112 173.647 176.300 -0.901 0.000 1.365 668 D CA -1.841 51.708 54.000 -0.752 0.000 0.976 668 D CB 2.128 42.759 40.800 -0.280 0.000 1.415 668 D HN 0.235 nan 8.370 nan 0.000 0.589 669 P HA -0.190 nan 4.420 nan 0.000 0.216 669 P C 0.907 178.112 177.300 -0.158 0.000 1.153 669 P CA 1.197 64.086 63.100 -0.351 0.000 0.858 669 P CB 0.779 32.421 31.700 -0.097 0.000 0.789 670 E N -0.203 119.910 120.200 -0.144 0.000 2.077 670 E HA -0.109 4.241 4.350 0.000 0.000 0.193 670 E C 2.192 178.751 176.600 -0.070 0.000 0.989 670 E CA 0.846 57.200 56.400 -0.078 0.000 0.800 670 E CB -1.290 28.370 29.700 -0.066 0.000 0.746 670 E HN 0.021 nan 8.360 nan 0.000 0.452 671 V N 0.806 120.658 119.914 -0.102 0.000 2.295 671 V HA -0.278 3.842 4.120 0.000 0.000 0.246 671 V C 2.333 178.411 176.094 -0.026 0.000 1.049 671 V CA 2.128 64.389 62.300 -0.065 0.000 1.024 671 V CB -0.453 31.323 31.823 -0.078 0.000 0.648 671 V HN 0.331 nan 8.190 nan 0.000 0.447 672 E N 0.056 120.241 120.200 -0.024 0.000 2.160 672 E HA -0.272 4.078 4.350 0.000 0.000 0.195 672 E C 2.454 179.082 176.600 0.048 0.000 0.991 672 E CA 1.334 57.773 56.400 0.065 0.000 0.810 672 E CB -0.091 29.711 29.700 0.170 0.000 0.742 672 E HN 0.471 nan 8.360 nan 0.000 0.466 673 R N 0.219 120.731 120.500 0.021 0.000 2.062 673 R HA -0.155 4.185 4.340 0.000 0.000 0.231 673 R C 2.339 178.636 176.300 -0.004 0.000 1.136 673 R CA 1.785 57.895 56.100 0.016 0.000 0.948 673 R CB -0.108 30.199 30.300 0.012 0.000 0.845 673 R HN 0.274 nan 8.270 nan 0.000 0.430 674 Q N -0.126 119.668 119.800 -0.010 0.000 2.096 674 Q HA -0.209 4.131 4.340 0.000 0.000 0.204 674 Q C 2.261 178.244 176.000 -0.028 0.000 0.982 674 Q CA 1.379 57.171 55.803 -0.018 0.000 0.850 674 Q CB -0.076 28.651 28.738 -0.017 0.000 0.901 674 Q HN 0.358 nan 8.270 nan 0.000 0.422 675 Q N -0.013 119.784 119.800 -0.004 0.000 2.061 675 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 675 Q C 2.207 178.172 176.000 -0.058 0.000 0.984 675 Q CA 1.745 57.560 55.803 0.020 0.000 0.846 675 Q CB -0.560 28.237 28.738 0.098 0.000 0.902 675 Q HN 0.414 nan 8.270 nan 0.000 0.421 676 T N 1.404 115.912 114.554 -0.076 0.000 2.720 676 T HA -0.173 4.177 4.350 0.000 0.000 0.268 676 T C 1.707 176.177 174.700 -0.383 0.000 1.037 676 T CA 1.628 63.588 62.100 -0.233 0.000 1.144 676 T CB -0.125 68.651 68.868 -0.152 0.000 0.864 676 T HN 0.391 nan 8.240 nan 0.000 0.444 677 E N 0.354 120.454 120.200 -0.167 0.000 2.051 677 E HA -0.090 4.260 4.350 0.000 0.000 0.192 677 E C 2.136 178.679 176.600 -0.095 0.000 0.991 677 E CA 0.782 57.138 56.400 -0.075 0.000 0.799 677 E CB -0.241 29.448 29.700 -0.017 0.000 0.748 677 E HN 0.189 nan 8.360 nan 0.000 0.449 678 L N 1.317 122.452 121.223 -0.147 0.000 2.046 678 L HA -0.162 4.178 4.340 0.000 0.000 0.208 678 L C 2.336 179.004 176.870 -0.337 0.000 1.077 678 L CA 1.702 56.417 54.840 -0.208 0.000 0.747 678 L CB -0.329 41.594 42.059 -0.227 0.000 0.896 678 L HN -0.052 nan 8.230 nan 0.000 0.432 679 R N -1.878 118.370 120.500 -0.419 0.000 2.073 679 R HA -0.190 4.150 4.340 0.000 0.000 0.234 679 R C 2.347 178.651 176.300 0.007 0.000 1.134 679 R CA 1.443 57.370 56.100 -0.288 0.000 0.952 679 R CB -0.301 29.971 30.300 -0.047 0.000 0.850 679 R HN 0.472 nan 8.270 nan 0.000 0.433 680 H N 0.666 119.741 119.070 0.009 0.000 2.352 680 H HA -0.091 4.465 4.556 0.000 0.000 0.299 680 H C 1.945 177.277 175.328 0.007 0.000 1.097 680 H CA 1.618 57.682 56.048 0.027 0.000 1.311 680 H CB -0.057 29.715 29.762 0.016 0.000 1.377 680 H HN 0.268 nan 8.280 nan 0.000 0.504 681 K N 0.494 120.958 120.400 0.106 0.000 2.001 681 K HA -0.059 4.261 4.320 0.000 0.000 0.208 681 K C 2.406 179.027 176.600 0.035 0.000 1.048 681 K CA 0.886 57.203 56.287 0.049 0.000 0.932 681 K CB -0.035 32.474 32.500 0.015 0.000 0.715 681 K HN 0.165 nan 8.250 nan 0.000 0.437 682 R N 0.478 120.983 120.500 0.008 0.000 2.120 682 R HA -0.079 4.261 4.340 0.000 0.000 0.234 682 R C 1.955 178.299 176.300 0.073 0.000 1.123 682 R CA 1.696 57.811 56.100 0.024 0.000 0.975 682 R CB -0.264 30.032 30.300 -0.008 0.000 0.866 682 R HN 0.344 nan 8.270 nan 0.000 0.446 683 T N -3.158 111.468 114.554 0.121 0.000 3.163 683 T HA 0.218 4.568 4.350 0.000 0.000 0.252 683 T C 1.097 175.849 174.700 0.086 0.000 1.056 683 T CA 0.230 62.426 62.100 0.160 0.000 0.947 683 T CB 0.798 69.853 68.868 0.312 0.000 1.016 683 T HN 0.335 nan 8.240 nan 0.000 0.554 684 G N 0.893 109.729 108.800 0.060 0.000 2.283 684 G HA2 0.053 4.013 3.960 0.000 0.000 0.280 684 G HA3 0.053 4.013 3.960 0.000 0.000 0.280 684 G C 1.123 176.025 174.900 0.003 0.000 1.029 684 G CA 0.349 45.464 45.100 0.026 0.000 0.840 684 G HN 1.816 nan 8.290 nan 0.000 0.505 685 G N -2.134 106.681 108.800 0.024 0.000 2.184 685 G HA2 0.072 4.032 3.960 0.000 0.000 0.264 685 G HA3 0.072 4.032 3.960 0.000 0.000 0.264 685 G C 1.366 176.220 174.900 -0.077 0.000 0.975 685 G CA 1.731 46.810 45.100 -0.034 0.000 0.642 685 G HN 1.982 nan 8.290 nan 0.000 0.536 686 K N -0.555 119.786 120.400 -0.098 0.000 2.155 686 K HA 0.205 4.525 4.320 0.000 0.000 0.203 686 K C 1.149 177.444 176.600 -0.509 0.000 1.052 686 K CA 1.778 57.876 56.287 -0.315 0.000 0.948 686 K CB -0.282 31.994 32.500 -0.375 0.000 0.728 686 K HN 0.749 nan 8.250 nan 0.000 0.448 687 H N 0.000 119.134 119.070 0.107 0.000 2.539 687 H HA 0.000 4.556 4.556 0.000 0.000 0.296 687 H CA 0.000 56.123 56.048 0.126 0.000 1.023 687 H CB 0.000 29.796 29.762 0.056 0.000 1.292 687 H HN 0.000 nan 8.280 nan 0.000 0.496