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 3b3q_1_A DATA FIRST_RESID 52 DATA SEQUENCE DPLVTTNFGK IRGIKKELNN EILGPVIQFL GVPYAAPPTG EHRFQPPEPP DATA SEQUENCE SPWSDIRNAT QFAPVcPQNI IDGRLPEVML PVWFTNNLDV VSSYVQDQSE DATA SEQUENCE DcLYLNIYVP TEDXXXXXXX XXXXXXXXXX XXXXXXXXGG PKPVMVYIHG DATA SEQUENCE GSYMEGTGNL YDGSVLASYG NVIVITVNYR LGVLGFLSTG DQAAKGNYGL DATA SEQUENCE LDLIQALRWT SENIGFFGGD PLRITVFGSG AGGSCVNLLT LSHYSEXXXX DATA SEQUENCE XXXXXGLFQR AIAQSGTALS SWAVSFQPAK YARILATKVG cQVSDTVELV DATA SEQUENCE EcLQKKPYKE LVDQDVQPAR YHIAFGPVID GDVIPDDPQI LMEQGEFLNY DATA SEQUENCE DIMLGVNQGE GLKFVENIVD SDDGVSASDF DFAVSNFVDN LYGYXXXXDV DATA SEQUENCE LRETIKFMYT DWADRHNPET RRKTLLALFT DHQWVAPAVA TADLHSNFGS DATA SEQUENCE PTYFYAFYHH cQTDQVPAWA DAAHGDEVPY VLGIPMIGPT ELFPcNFSKN DATA SEQUENCE DVMLSAVVMT YWTNFAKTGD PNQPVPQDXX XXXXXXXXFE EVAWTRYSQK DATA SEQUENCE DQLYLHIGLK PRVKEHYRAN KVNLWLELVP HLHN 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 52 D HA 0.000 nan 4.640 nan 0.000 0.175 52 D C 0.000 176.320 176.300 0.034 0.000 2.045 52 D CA 0.000 54.008 54.000 0.013 0.000 0.868 52 D CB 0.000 40.810 40.800 0.016 0.000 0.688 53 P HA 0.481 nan 4.420 nan 0.000 0.287 53 P C -0.760 176.639 177.300 0.165 0.000 1.294 53 P CA -0.482 62.673 63.100 0.092 0.000 0.776 53 P CB 1.165 32.902 31.700 0.062 0.000 0.889 54 L N 3.289 124.611 121.223 0.165 0.000 2.381 54 L HA 0.546 4.881 4.340 -0.009 0.000 0.268 54 L C -0.280 176.656 176.870 0.111 0.000 0.997 54 L CA -0.809 54.137 54.840 0.177 0.000 0.818 54 L CB 2.440 44.563 42.059 0.107 0.000 1.310 54 L HN 0.160 nan 8.230 nan 0.000 0.416 55 V N 0.287 120.236 119.914 0.058 0.000 2.789 55 V HA 0.583 4.698 4.120 -0.009 0.000 0.311 55 V C -0.388 175.624 176.094 -0.137 0.000 1.073 55 V CA -0.685 61.504 62.300 -0.185 0.000 0.921 55 V CB 2.212 33.634 31.823 -0.667 0.000 1.009 55 V HN 0.728 nan 8.190 nan 0.000 0.426 56 T N 3.152 117.573 114.554 -0.222 0.000 2.767 56 T HA 0.577 4.921 4.350 -0.009 0.000 0.284 56 T C 0.215 174.754 174.700 -0.269 0.000 0.973 56 T CA -0.318 61.650 62.100 -0.220 0.000 0.996 56 T CB 1.149 69.841 68.868 -0.295 0.000 0.927 56 T HN 0.993 nan 8.240 nan 0.000 0.456 57 T N 0.380 114.923 114.554 -0.019 0.000 2.949 57 T HA 0.357 4.702 4.350 -0.009 0.000 0.287 57 T C 1.128 175.856 174.700 0.048 0.000 1.034 57 T CA -1.046 61.217 62.100 0.271 0.000 1.018 57 T CB 0.925 70.078 68.868 0.474 0.000 1.135 57 T HN 0.265 nan 8.240 nan 0.000 0.532 58 N N -0.158 118.603 118.700 0.102 0.000 2.659 58 N HA -0.016 4.719 4.740 -0.009 0.000 0.194 58 N C 0.280 175.366 175.510 -0.707 0.000 1.140 58 N CA 0.883 53.714 53.050 -0.364 0.000 0.936 58 N CB -0.496 37.644 38.487 -0.578 0.000 0.970 58 N HN 0.642 nan 8.380 nan 0.000 0.449 59 F N -1.356 118.462 119.950 -0.219 0.000 2.789 59 F HA 0.392 4.914 4.527 -0.009 0.000 0.320 59 F C 1.457 176.571 175.800 -1.144 0.000 1.079 59 F CA 0.046 57.756 58.000 -0.484 0.000 1.205 59 F CB 0.820 39.639 39.000 -0.303 0.000 1.046 59 F HN -0.054 nan 8.300 nan 0.000 0.586 60 G N 0.296 108.622 108.800 -0.790 0.000 2.345 60 G HA2 0.219 4.173 3.960 -0.009 0.000 0.285 60 G HA3 0.219 4.173 3.960 -0.009 0.000 0.285 60 G C -1.718 173.091 174.900 -0.151 0.000 1.297 60 G CA -1.211 43.356 45.100 -0.888 0.000 0.875 60 G HN -0.116 nan 8.290 nan 0.000 0.506 61 K N 0.116 120.631 120.400 0.192 0.000 2.138 61 K HA 0.696 5.010 4.320 -0.009 0.000 0.263 61 K C -0.267 176.648 176.600 0.524 0.000 0.965 61 K CA -0.542 55.917 56.287 0.286 0.000 0.868 61 K CB 1.984 34.588 32.500 0.174 0.000 1.083 61 K HN 0.628 nan 8.250 nan 0.000 0.443 62 I N -1.257 119.552 120.570 0.398 0.000 2.647 62 I HA 0.518 4.683 4.170 -0.009 0.000 0.295 62 I C -0.718 175.623 176.117 0.373 0.000 1.078 62 I CA -1.160 60.390 61.300 0.416 0.000 1.048 62 I CB 2.098 40.404 38.000 0.510 0.000 1.239 62 I HN 0.460 nan 8.210 nan 0.000 0.421 63 R N 3.354 124.037 120.500 0.306 0.000 2.338 63 R HA 0.664 4.998 4.340 -0.009 0.000 0.317 63 R C 0.125 176.545 176.300 0.201 0.000 0.968 63 R CA -0.312 55.934 56.100 0.243 0.000 0.849 63 R CB 1.684 32.056 30.300 0.121 0.000 1.128 63 R HN 1.035 nan 8.270 nan 0.000 0.448 64 G N 3.460 112.292 108.800 0.053 0.000 2.531 64 G HA2 0.407 4.362 3.960 -0.009 0.000 0.253 64 G HA3 0.407 4.362 3.960 -0.009 0.000 0.253 64 G C -0.743 173.981 174.900 -0.293 0.000 1.439 64 G CA -0.577 44.251 45.100 -0.452 0.000 1.056 64 G HN 0.619 nan 8.290 nan 0.000 0.555 65 I N -1.432 118.916 120.570 -0.370 0.000 2.752 65 I HA 0.455 4.620 4.170 -0.009 0.000 0.295 65 I C -0.788 175.201 176.117 -0.213 0.000 1.219 65 I CA -0.923 60.241 61.300 -0.226 0.000 1.030 65 I CB 2.236 40.124 38.000 -0.187 0.000 1.259 65 I HN 0.395 nan 8.210 nan 0.000 0.423 66 K N 4.687 125.006 120.400 -0.134 0.000 2.118 66 K HA 0.396 4.711 4.320 -0.009 0.000 0.264 66 K C -1.148 175.409 176.600 -0.073 0.000 1.000 66 K CA -0.466 55.765 56.287 -0.093 0.000 0.929 66 K CB 1.271 33.737 32.500 -0.057 0.000 1.021 66 K HN 0.573 nan 8.250 nan 0.000 0.463 67 K N 2.463 122.838 120.400 -0.041 0.000 2.553 67 K HA 0.177 4.492 4.320 -0.009 0.000 0.250 67 K C -1.647 174.955 176.600 0.003 0.000 0.953 67 K CA -0.367 55.908 56.287 -0.019 0.000 0.800 67 K CB 1.280 33.777 32.500 -0.005 0.000 1.243 67 K HN 0.500 nan 8.250 nan 0.000 0.435 68 E N 4.538 124.737 120.200 -0.001 0.000 2.191 68 E HA 0.335 4.679 4.350 -0.009 0.000 0.274 68 E C -0.388 176.215 176.600 0.003 0.000 0.948 68 E CA -1.224 55.179 56.400 0.003 0.000 0.802 68 E CB 1.392 31.090 29.700 -0.002 0.000 1.137 68 E HN 0.283 nan 8.360 nan 0.000 0.397 69 L N 2.086 123.312 121.223 0.004 0.000 2.421 69 L HA 0.170 4.505 4.340 -0.009 0.000 0.263 69 L C 1.056 177.918 176.870 -0.013 0.000 1.122 69 L CA -0.357 54.480 54.840 -0.005 0.000 0.804 69 L CB 0.065 42.119 42.059 -0.009 0.000 1.150 69 L HN 0.497 nan 8.230 nan 0.000 0.457 70 N N 2.067 120.754 118.700 -0.022 0.000 2.530 70 N HA -0.060 4.675 4.740 -0.009 0.000 0.216 70 N C -0.247 175.247 175.510 -0.027 0.000 1.315 70 N CA 0.292 53.329 53.050 -0.023 0.000 0.858 70 N CB -0.381 38.090 38.487 -0.025 0.000 1.138 70 N HN 0.469 nan 8.380 nan 0.000 0.473 71 N N 0.481 119.167 118.700 -0.023 0.000 2.454 71 N HA 0.087 4.822 4.740 -0.009 0.000 0.291 71 N C -0.814 174.691 175.510 -0.009 0.000 1.079 71 N CA -0.249 52.788 53.050 -0.021 0.000 0.893 71 N CB 1.184 39.652 38.487 -0.031 0.000 1.512 71 N HN -0.045 nan 8.380 nan 0.000 0.497 72 E N 4.088 124.284 120.200 -0.006 0.000 2.354 72 E HA 0.196 4.540 4.350 -0.009 0.000 0.260 72 E C 0.489 177.090 176.600 0.002 0.000 1.405 72 E CA 0.019 56.418 56.400 -0.002 0.000 1.728 72 E CB 0.442 30.140 29.700 -0.003 0.000 1.471 72 E HN 0.513 nan 8.360 nan 0.000 0.441 73 I N -0.306 120.267 120.570 0.006 0.000 4.592 73 I HA 0.115 4.280 4.170 -0.009 0.000 0.329 73 I C 0.378 176.505 176.117 0.017 0.000 1.309 73 I CA 0.243 61.550 61.300 0.011 0.000 1.243 73 I CB 0.368 38.379 38.000 0.018 0.000 1.241 73 I HN 0.130 nan 8.210 nan 0.000 0.434 74 L N 1.730 122.965 121.223 0.020 0.000 2.272 74 L HA 0.558 4.893 4.340 -0.009 0.000 0.289 74 L C 0.716 177.599 176.870 0.021 0.000 1.032 74 L CA -0.543 54.314 54.840 0.029 0.000 0.810 74 L CB 1.618 43.700 42.059 0.038 0.000 1.205 74 L HN 0.058 nan 8.230 nan 0.000 0.422 75 G N 3.929 112.741 108.800 0.021 0.000 2.365 75 G HA2 0.315 4.270 3.960 -0.009 0.000 0.249 75 G HA3 0.315 4.270 3.960 -0.009 0.000 0.249 75 G C -2.277 172.642 174.900 0.031 0.000 1.288 75 G CA -0.702 44.411 45.100 0.021 0.000 0.887 75 G HN 0.325 nan 8.290 nan 0.000 0.524 76 P HA 0.110 nan 4.420 nan 0.000 0.271 76 P C 0.232 177.560 177.300 0.046 0.000 1.233 76 P CA 0.001 63.119 63.100 0.030 0.000 0.795 76 P CB 0.738 32.447 31.700 0.016 0.000 0.936 77 V N -2.266 117.680 119.914 0.053 0.000 3.001 77 V HA 0.619 4.734 4.120 -0.009 0.000 0.314 77 V C -0.485 175.625 176.094 0.026 0.000 1.099 77 V CA -1.160 61.186 62.300 0.076 0.000 0.989 77 V CB 1.768 33.676 31.823 0.141 0.000 1.040 77 V HN 0.165 nan 8.190 nan 0.000 0.434 78 I N 3.580 124.161 120.570 0.018 0.000 2.336 78 I HA 0.520 4.685 4.170 -0.009 0.000 0.292 78 I C 0.160 176.153 176.117 -0.206 0.000 0.991 78 I CA -0.014 61.210 61.300 -0.126 0.000 1.227 78 I CB 1.592 39.518 38.000 -0.125 0.000 1.366 78 I HN 0.893 nan 8.210 nan 0.000 0.466 79 Q N 5.552 125.129 119.800 -0.372 0.000 2.330 79 Q HA 0.609 4.944 4.340 -0.009 0.000 0.269 79 Q C -1.640 174.058 176.000 -0.504 0.000 1.022 79 Q CA -0.633 54.918 55.803 -0.420 0.000 0.796 79 Q CB 1.642 30.084 28.738 -0.495 0.000 1.271 79 Q HN 0.382 nan 8.270 nan 0.000 0.450 80 F N 2.839 122.715 119.950 -0.123 0.000 2.361 80 F HA 0.369 4.890 4.527 -0.009 0.000 0.364 80 F C -0.799 174.949 175.800 -0.086 0.000 1.120 80 F CA -0.874 57.115 58.000 -0.018 0.000 1.102 80 F CB 0.859 39.960 39.000 0.168 0.000 1.183 80 F HN 0.407 nan 8.300 nan 0.000 0.476 81 L N 2.537 123.764 121.223 0.007 0.000 2.313 81 L HA 0.662 4.997 4.340 -0.009 0.000 0.283 81 L C 0.669 177.557 176.870 0.030 0.000 1.013 81 L CA -0.695 54.118 54.840 -0.045 0.000 0.816 81 L CB 1.318 43.184 42.059 -0.322 0.000 1.236 81 L HN 0.793 nan 8.230 nan 0.000 0.419 82 G N 2.699 111.574 108.800 0.124 0.000 2.182 82 G HA2 -0.180 3.774 3.960 -0.009 0.000 0.248 82 G HA3 -0.180 3.774 3.960 -0.009 0.000 0.248 82 G C -0.036 174.965 174.900 0.169 0.000 1.042 82 G CA -0.064 45.080 45.100 0.073 0.000 0.775 82 G HN 0.426 nan 8.290 nan 0.000 0.501 83 V N 2.322 122.347 119.914 0.184 0.000 2.446 83 V HA 0.309 4.424 4.120 -0.009 0.000 0.276 83 V C -1.116 175.020 176.094 0.070 0.000 1.030 83 V CA -0.894 61.486 62.300 0.134 0.000 1.033 83 V CB 0.988 32.827 31.823 0.027 0.000 0.993 83 V HN 0.331 nan 8.190 nan 0.000 0.477 84 P HA 0.128 nan 4.420 nan 0.000 0.281 84 P C -0.391 176.633 177.300 -0.459 0.000 1.286 84 P CA -0.078 62.832 63.100 -0.316 0.000 0.772 84 P CB 0.332 31.888 31.700 -0.240 0.000 0.862 85 Y N 2.458 122.391 120.300 -0.611 0.000 2.457 85 Y HA 0.677 5.222 4.550 -0.009 0.000 0.263 85 Y C 0.170 175.872 175.900 -0.331 0.000 1.164 85 Y CA -0.830 56.834 58.100 -0.727 0.000 1.274 85 Y CB 0.142 38.193 38.460 -0.682 0.000 1.097 85 Y HN 0.431 nan 8.280 nan 0.000 0.523 86 A N 0.558 122.991 122.820 -0.646 0.000 2.608 86 A HA 0.789 5.104 4.320 -0.009 0.000 0.292 86 A C -0.818 176.513 177.584 -0.422 0.000 1.066 86 A CA -0.767 51.011 52.037 -0.432 0.000 0.676 86 A CB 0.144 18.892 19.000 -0.421 0.000 1.277 86 A HN 0.624 nan 8.150 nan 0.000 0.413 87 A N 1.209 123.862 122.820 -0.278 0.000 2.483 87 A HA 0.593 4.908 4.320 -0.009 0.000 0.238 87 A C -2.381 175.034 177.584 -0.283 0.000 1.070 87 A CA -0.855 51.033 52.037 -0.247 0.000 0.770 87 A CB -0.818 18.046 19.000 -0.227 0.000 1.008 87 A HN 0.484 nan 8.150 nan 0.000 0.497 88 P HA 0.091 nan 4.420 nan 0.000 0.260 88 P C -2.217 174.996 177.300 -0.145 0.000 1.185 88 P CA -0.559 62.432 63.100 -0.182 0.000 0.763 88 P CB 0.073 31.718 31.700 -0.091 0.000 0.776 89 P HA 0.004 nan 4.420 nan 0.000 0.237 89 P C -0.314 176.924 177.300 -0.104 0.000 1.723 89 P CA 0.196 63.224 63.100 -0.120 0.000 0.882 89 P CB -0.417 31.185 31.700 -0.164 0.000 1.810 90 T N -4.720 109.816 114.554 -0.031 0.000 2.948 90 T HA 0.606 4.951 4.350 -0.009 0.000 0.285 90 T C 1.062 175.727 174.700 -0.059 0.000 1.019 90 T CA 0.099 62.162 62.100 -0.062 0.000 1.013 90 T CB 1.581 70.426 68.868 -0.038 0.000 1.117 90 T HN 0.240 nan 8.240 nan 0.000 0.533 91 G N 0.984 109.725 108.800 -0.099 0.000 2.698 91 G HA2 -0.407 3.548 3.960 -0.009 0.000 0.337 91 G HA3 -0.407 3.548 3.960 -0.009 0.000 0.337 91 G C 0.843 175.633 174.900 -0.183 0.000 1.196 91 G CA 0.907 45.935 45.100 -0.119 0.000 0.965 91 G HN 0.970 nan 8.290 nan 0.000 0.550 92 E N 0.251 120.281 120.200 -0.282 0.000 2.347 92 E HA -0.065 4.280 4.350 -0.009 0.000 0.196 92 E C 1.832 178.206 176.600 -0.377 0.000 1.008 92 E CA 0.734 56.929 56.400 -0.342 0.000 0.852 92 E CB -0.075 29.374 29.700 -0.419 0.000 0.783 92 E HN 0.709 nan 8.360 nan 0.000 0.505 93 H N -0.352 118.656 119.070 -0.104 0.000 2.539 93 H HA 0.100 4.651 4.556 -0.009 0.000 0.269 93 H C 0.633 175.826 175.328 -0.225 0.000 0.980 93 H CA 0.037 56.010 56.048 -0.125 0.000 1.152 93 H CB -0.067 29.632 29.762 -0.105 0.000 1.407 93 H HN 0.006 nan 8.280 nan 0.000 0.564 94 R N 0.596 120.954 120.500 -0.237 0.000 2.590 94 R HA -0.050 4.285 4.340 -0.009 0.000 0.274 94 R C -0.256 175.710 176.300 -0.557 0.000 1.061 94 R CA -0.123 55.661 56.100 -0.526 0.000 1.081 94 R CB -0.030 29.861 30.300 -0.682 0.000 0.984 94 R HN -0.009 nan 8.270 nan 0.000 0.448 95 F N 0.330 119.943 119.950 -0.561 0.000 3.090 95 F HA -0.272 4.250 4.527 -0.009 0.000 0.282 95 F C -0.288 175.018 175.800 -0.823 0.000 0.923 95 F CA 0.850 58.232 58.000 -1.030 0.000 0.977 95 F CB -1.673 37.103 39.000 -0.374 0.000 0.954 95 F HN 0.554 nan 8.300 nan 0.000 0.695 96 Q N -0.839 118.668 119.800 -0.489 0.000 2.423 96 Q HA 0.544 4.879 4.340 -0.009 0.000 0.278 96 Q C -2.317 173.708 176.000 0.042 0.000 1.097 96 Q CA -2.029 53.735 55.803 -0.064 0.000 0.809 96 Q CB 2.135 30.894 28.738 0.035 0.000 1.391 96 Q HN -0.171 nan 8.270 nan 0.000 0.428 97 P HA 0.087 nan 4.420 nan 0.000 0.269 97 P C -2.349 175.005 177.300 0.090 0.000 1.217 97 P CA -0.637 62.575 63.100 0.186 0.000 0.783 97 P CB -0.256 31.552 31.700 0.181 0.000 0.898 98 P HA 0.267 nan 4.420 nan 0.000 0.277 98 P C -0.576 176.725 177.300 0.001 0.000 1.240 98 P CA 0.057 63.160 63.100 0.005 0.000 0.798 98 P CB 0.767 32.486 31.700 0.032 0.000 0.979 99 E N 1.729 121.882 120.200 -0.077 0.000 2.235 99 E HA 0.503 4.847 4.350 -0.009 0.000 0.265 99 E C -2.351 174.229 176.600 -0.033 0.000 0.940 99 E CA -2.512 53.855 56.400 -0.056 0.000 0.819 99 E CB 0.522 30.132 29.700 -0.151 0.000 1.206 99 E HN 0.288 nan 8.360 nan 0.000 0.409 100 P HA 0.112 nan 4.420 nan 0.000 0.270 100 P C -2.514 174.782 177.300 -0.007 0.000 1.223 100 P CA -0.901 62.251 63.100 0.087 0.000 0.785 100 P CB -0.039 31.808 31.700 0.246 0.000 0.923 101 P HA 0.069 nan 4.420 nan 0.000 0.274 101 P C -0.411 176.914 177.300 0.042 0.000 1.231 101 P CA 0.060 63.052 63.100 -0.180 0.000 0.790 101 P CB 0.491 31.967 31.700 -0.374 0.000 0.951 102 S N 2.736 118.512 115.700 0.128 0.000 2.564 102 S HA 0.298 4.762 4.470 -0.009 0.000 0.278 102 S C -1.827 173.008 174.600 0.392 0.000 1.333 102 S CA -0.600 57.740 58.200 0.234 0.000 1.048 102 S CB -0.412 62.896 63.200 0.180 0.000 0.900 102 S HN 0.451 nan 8.310 nan 0.000 0.505 103 P HA 0.469 nan 4.420 nan 0.000 0.281 103 P C -1.368 176.090 177.300 0.265 0.000 1.264 103 P CA -0.731 62.481 63.100 0.187 0.000 0.824 103 P CB 0.522 32.250 31.700 0.046 0.000 1.092 104 W N -0.983 120.412 121.300 0.158 0.000 2.883 104 W HA 0.614 5.269 4.660 -0.009 0.000 0.335 104 W C -1.025 175.546 176.519 0.087 0.000 1.083 104 W CA -0.925 56.486 57.345 0.110 0.000 1.233 104 W CB 0.381 29.907 29.460 0.110 0.000 1.412 104 W HN 0.082 nan 8.180 nan 0.000 0.490 105 S N 3.454 119.279 115.700 0.207 0.000 3.729 105 S HA 0.235 4.700 4.470 -0.009 0.000 0.235 105 S C -0.946 173.778 174.600 0.207 0.000 1.367 105 S CA 0.161 58.437 58.200 0.127 0.000 0.907 105 S CB -0.848 62.400 63.200 0.079 0.000 1.471 105 S HN 0.465 nan 8.310 nan 0.000 0.476 106 D N 1.182 121.775 120.400 0.320 0.000 2.728 106 D HA 0.162 4.797 4.640 -0.009 0.000 0.249 106 D C -0.974 175.558 176.300 0.387 0.000 1.225 106 D CA -0.625 53.576 54.000 0.335 0.000 0.748 106 D CB 1.165 42.172 40.800 0.345 0.000 1.326 106 D HN 0.337 nan 8.370 nan 0.000 0.426 107 I N 0.267 120.977 120.570 0.233 0.000 2.291 107 I HA 0.464 4.629 4.170 -0.009 0.000 0.292 107 I C 0.452 176.663 176.117 0.157 0.000 1.064 107 I CA -0.641 60.787 61.300 0.215 0.000 1.269 107 I CB 0.820 38.898 38.000 0.131 0.000 1.418 107 I HN 0.014 nan 8.210 nan 0.000 0.485 108 R N 5.390 126.005 120.500 0.191 0.000 2.297 108 R HA 0.282 4.617 4.340 -0.009 0.000 0.308 108 R C -0.590 175.724 176.300 0.024 0.000 1.029 108 R CA -0.636 55.434 56.100 -0.050 0.000 0.929 108 R CB 0.791 30.845 30.300 -0.410 0.000 1.046 108 R HN 0.635 nan 8.270 nan 0.000 0.461 109 N N 2.705 121.384 118.700 -0.035 0.000 2.411 109 N HA 0.115 4.850 4.740 -0.009 0.000 0.259 109 N C -0.800 174.701 175.510 -0.015 0.000 1.103 109 N CA 0.053 53.096 53.050 -0.010 0.000 0.954 109 N CB 1.797 40.261 38.487 -0.038 0.000 1.085 109 N HN 0.557 nan 8.380 nan 0.000 0.485 110 A N 1.566 124.415 122.820 0.050 0.000 3.150 110 A HA 0.290 4.605 4.320 -0.009 0.000 0.328 110 A C 0.980 178.549 177.584 -0.025 0.000 1.104 110 A CA -0.564 51.507 52.037 0.057 0.000 0.937 110 A CB -0.368 18.769 19.000 0.229 0.000 1.073 110 A HN 0.599 nan 8.150 nan 0.000 0.497 111 T N -3.077 111.422 114.554 -0.092 0.000 3.004 111 T HA 0.303 4.648 4.350 -0.009 0.000 0.266 111 T C 0.363 174.931 174.700 -0.220 0.000 0.986 111 T CA 0.080 62.088 62.100 -0.153 0.000 0.902 111 T CB -0.009 68.787 68.868 -0.119 0.000 1.118 111 T HN 0.493 nan 8.240 nan 0.000 0.522 112 Q N 0.395 120.070 119.800 -0.208 0.000 2.372 112 Q HA 0.578 4.913 4.340 -0.009 0.000 0.273 112 Q C -1.413 174.468 176.000 -0.197 0.000 1.078 112 Q CA -1.085 54.570 55.803 -0.247 0.000 0.806 112 Q CB 1.741 30.387 28.738 -0.152 0.000 1.332 112 Q HN 0.164 nan 8.270 nan 0.000 0.435 113 F N 1.451 121.353 119.950 -0.080 0.000 2.607 113 F HA 0.167 4.689 4.527 -0.009 0.000 0.374 113 F C 0.935 176.641 175.800 -0.157 0.000 1.104 113 F CA -0.073 57.879 58.000 -0.080 0.000 1.296 113 F CB 0.140 39.120 39.000 -0.034 0.000 1.085 113 F HN 0.586 nan 8.300 nan 0.000 0.584 114 A N 5.342 128.137 122.820 -0.042 0.000 2.287 114 A HA 0.582 4.897 4.320 -0.009 0.000 0.273 114 A C -2.175 175.326 177.584 -0.139 0.000 1.091 114 A CA -1.499 50.351 52.037 -0.312 0.000 0.817 114 A CB -0.405 17.983 19.000 -1.020 0.000 1.069 114 A HN 0.514 nan 8.150 nan 0.000 0.492 115 P HA 0.225 nan 4.420 nan 0.000 0.268 115 P C 0.113 177.402 177.300 -0.020 0.000 1.208 115 P CA 0.048 63.116 63.100 -0.054 0.000 0.777 115 P CB 0.268 31.940 31.700 -0.046 0.000 0.875 116 V N -0.186 119.721 119.914 -0.013 0.000 3.295 116 V HA 0.335 4.450 4.120 -0.009 0.000 0.308 116 V C 0.298 176.377 176.094 -0.024 0.000 1.068 116 V CA -0.684 61.611 62.300 -0.008 0.000 1.062 116 V CB 0.153 31.965 31.823 -0.018 0.000 1.162 116 V HN 0.567 nan 8.190 nan 0.000 0.456 117 c N 2.506 121.088 118.600 -0.030 0.000 2.652 117 c HA 0.391 4.956 4.570 -0.009 0.000 0.412 117 c C -2.055 171.993 174.090 -0.071 0.000 1.294 117 c CA -0.270 56.016 56.329 -0.072 0.000 2.127 117 c CB -0.344 42.130 42.510 -0.061 0.000 2.691 117 c HN 0.802 nan 8.230 nan 0.000 0.615 118 P HA 0.156 nan 4.420 nan 0.000 0.264 118 P C -0.642 176.685 177.300 0.044 0.000 1.193 118 P CA 0.545 63.611 63.100 -0.058 0.000 0.763 118 P CB 0.234 31.816 31.700 -0.197 0.000 0.810 119 Q N 1.662 121.514 119.800 0.087 0.000 2.630 119 Q HA 0.547 4.881 4.340 -0.009 0.000 0.295 119 Q C -1.548 174.510 176.000 0.096 0.000 0.944 119 Q CA -1.046 54.812 55.803 0.091 0.000 0.766 119 Q CB 1.550 30.340 28.738 0.085 0.000 1.471 119 Q HN 0.130 nan 8.270 nan 0.000 0.416 120 N N 1.075 119.829 118.700 0.090 0.000 2.581 120 N HA 0.283 5.018 4.740 -0.009 0.000 0.279 120 N C -0.480 175.076 175.510 0.078 0.000 1.124 120 N CA -0.344 52.753 53.050 0.078 0.000 0.833 120 N CB 1.291 39.821 38.487 0.071 0.000 1.338 120 N HN 0.840 nan 8.380 nan 0.000 0.533 121 I N 1.522 122.139 120.570 0.078 0.000 4.018 121 I HA 0.208 4.372 4.170 -0.009 0.000 0.337 121 I C 1.094 177.248 176.117 0.063 0.000 1.327 121 I CA -0.232 61.125 61.300 0.094 0.000 1.100 121 I CB 0.079 38.162 38.000 0.138 0.000 1.025 121 I HN 0.263 nan 8.210 nan 0.000 0.396 122 I N 1.291 121.886 120.570 0.043 0.000 2.956 122 I HA 0.042 4.206 4.170 -0.009 0.000 0.233 122 I C 1.321 177.454 176.117 0.028 0.000 1.054 122 I CA 0.568 61.884 61.300 0.027 0.000 1.456 122 I CB -0.891 37.119 38.000 0.016 0.000 1.297 122 I HN 0.059 nan 8.210 nan 0.000 0.448 123 D N 1.812 122.228 120.400 0.027 0.000 2.344 123 D HA 0.136 4.770 4.640 -0.009 0.000 0.242 123 D C 0.910 177.230 176.300 0.033 0.000 1.159 123 D CA 0.100 54.116 54.000 0.026 0.000 0.859 123 D CB -0.043 40.770 40.800 0.021 0.000 0.925 123 D HN 0.464 nan 8.370 nan 0.000 0.510 124 G N 0.338 109.162 108.800 0.040 0.000 2.531 124 G HA2 0.068 4.022 3.960 -0.009 0.000 0.253 124 G HA3 0.068 4.022 3.960 -0.009 0.000 0.253 124 G C 0.913 175.836 174.900 0.038 0.000 1.439 124 G CA -0.418 44.709 45.100 0.045 0.000 1.056 124 G HN -0.065 nan 8.290 nan 0.000 0.555 125 R N -1.650 118.872 120.500 0.037 0.000 2.064 125 R HA 0.118 4.453 4.340 -0.009 0.000 0.221 125 R C 0.534 176.847 176.300 0.023 0.000 1.136 125 R CA 0.012 56.128 56.100 0.027 0.000 0.980 125 R CB -1.227 29.086 30.300 0.022 0.000 0.876 125 R HN 0.626 nan 8.270 nan 0.000 0.437 126 L N 1.196 122.430 121.223 0.019 0.000 3.133 126 L HA -0.096 4.239 4.340 -0.009 0.000 0.697 126 L C -2.492 174.373 176.870 -0.008 0.000 1.093 126 L CA -0.100 54.746 54.840 0.011 0.000 1.305 126 L CB -0.493 41.588 42.059 0.037 0.000 1.841 126 L HN 0.115 nan 8.230 nan 0.000 0.896 127 P HA 0.080 nan 4.420 nan 0.000 0.252 127 P C 0.615 177.884 177.300 -0.053 0.000 1.694 127 P CA 0.159 63.233 63.100 -0.043 0.000 1.163 127 P CB 0.345 31.988 31.700 -0.095 0.000 1.934 128 E N 0.611 120.808 120.200 -0.005 0.000 2.233 128 E HA -0.187 4.158 4.350 -0.009 0.000 0.199 128 E C 1.635 178.256 176.600 0.034 0.000 1.004 128 E CA 1.396 57.800 56.400 0.007 0.000 0.819 128 E CB -0.247 29.471 29.700 0.031 0.000 0.738 128 E HN 0.348 nan 8.360 nan 0.000 0.478 129 V N -1.589 118.375 119.914 0.083 0.000 2.548 129 V HA -0.181 3.934 4.120 -0.009 0.000 0.249 129 V C 2.132 178.262 176.094 0.060 0.000 1.055 129 V CA 1.380 63.792 62.300 0.187 0.000 1.065 129 V CB -0.467 31.590 31.823 0.391 0.000 0.681 129 V HN 0.177 nan 8.190 nan 0.000 0.462 130 M N -0.061 119.390 119.600 -0.247 0.000 2.287 130 M HA 0.228 4.703 4.480 -0.009 0.000 0.266 130 M C 0.749 176.888 176.300 -0.269 0.000 1.079 130 M CA 0.927 55.858 55.300 -0.614 0.000 1.146 130 M CB -0.032 32.093 32.600 -0.791 0.000 1.374 130 M HN 0.287 nan 8.290 nan 0.000 0.435 131 L N 1.093 122.197 121.223 -0.199 0.000 2.436 131 L HA 0.199 4.533 4.340 -0.009 0.000 0.265 131 L C -2.123 174.688 176.870 -0.098 0.000 1.168 131 L CA -2.084 52.601 54.840 -0.259 0.000 0.815 131 L CB -0.378 41.445 42.059 -0.393 0.000 1.109 131 L HN -0.175 nan 8.230 nan 0.000 0.462 132 P HA -0.022 nan 4.420 nan 0.000 0.266 132 P C 0.804 177.868 177.300 -0.393 0.000 1.195 132 P CA -0.142 62.676 63.100 -0.469 0.000 0.768 132 P CB 0.699 31.845 31.700 -0.923 0.000 0.838 133 V N 3.956 123.756 119.914 -0.189 0.000 2.343 133 V HA -0.202 3.912 4.120 -0.009 0.000 0.247 133 V C 2.028 178.081 176.094 -0.068 0.000 1.051 133 V CA 1.757 64.012 62.300 -0.076 0.000 1.036 133 V CB -1.334 30.492 31.823 0.006 0.000 0.654 133 V HN 0.769 nan 8.190 nan 0.000 0.451 134 W N -0.794 120.510 121.300 0.007 0.000 2.387 134 W HA -0.233 4.421 4.660 -0.009 0.000 0.272 134 W C 2.202 178.643 176.519 -0.130 0.000 1.224 134 W CA 1.010 58.297 57.345 -0.095 0.000 1.210 134 W CB -1.003 28.356 29.460 -0.168 0.000 1.125 134 W HN 0.354 nan 8.180 nan 0.000 0.572 135 F N 3.540 123.025 119.950 -0.775 0.000 2.179 135 F HA -0.134 4.388 4.527 -0.009 0.000 0.292 135 F C 2.963 178.556 175.800 -0.345 0.000 1.089 135 F CA 2.998 60.525 58.000 -0.789 0.000 1.295 135 F CB -0.502 37.772 39.000 -1.209 0.000 1.041 135 F HN -0.155 nan 8.300 nan 0.000 0.487 136 T N -1.606 112.979 114.554 0.052 0.000 2.833 136 T HA -0.155 4.189 4.350 -0.009 0.000 0.269 136 T C 1.601 176.284 174.700 -0.027 0.000 1.054 136 T CA 1.559 63.689 62.100 0.050 0.000 1.135 136 T CB -0.587 68.297 68.868 0.026 0.000 0.869 136 T HN 0.176 nan 8.240 nan 0.000 0.466 137 N N 3.058 121.733 118.700 -0.042 0.000 2.409 137 N HA 0.034 4.768 4.740 -0.009 0.000 0.179 137 N C 0.302 175.777 175.510 -0.060 0.000 1.032 137 N CA 0.867 53.894 53.050 -0.039 0.000 0.898 137 N CB -0.272 38.202 38.487 -0.022 0.000 0.971 137 N HN 0.937 nan 8.380 nan 0.000 0.441 138 N N 0.150 118.794 118.700 -0.094 0.000 2.725 138 N HA 0.083 4.818 4.740 -0.009 0.000 0.248 138 N C 0.105 175.504 175.510 -0.185 0.000 1.402 138 N CA -0.311 52.672 53.050 -0.112 0.000 0.766 138 N CB 0.657 39.088 38.487 -0.093 0.000 1.223 138 N HN -0.178 nan 8.380 nan 0.000 0.515 139 L N -1.966 119.141 121.223 -0.195 0.000 2.591 139 L HA 0.379 4.714 4.340 -0.009 0.000 0.228 139 L C 0.262 177.032 176.870 -0.166 0.000 1.133 139 L CA 0.473 55.149 54.840 -0.272 0.000 0.880 139 L CB -1.313 40.596 42.059 -0.249 0.000 1.033 139 L HN 0.287 nan 8.230 nan 0.000 0.450 140 D N 0.997 121.330 120.400 -0.112 0.000 2.103 140 D HA -0.097 4.538 4.640 -0.009 0.000 0.199 140 D C 2.336 178.600 176.300 -0.060 0.000 0.978 140 D CA 1.328 55.285 54.000 -0.072 0.000 0.829 140 D CB 0.117 40.884 40.800 -0.054 0.000 0.981 140 D HN 0.200 nan 8.370 nan 0.000 0.464 141 V N 0.411 120.287 119.914 -0.064 0.000 2.427 141 V HA -0.169 3.946 4.120 -0.009 0.000 0.248 141 V C 2.373 178.489 176.094 0.036 0.000 1.051 141 V CA 0.923 63.215 62.300 -0.014 0.000 1.048 141 V CB -0.382 31.423 31.823 -0.029 0.000 0.666 141 V HN 0.113 nan 8.190 nan 0.000 0.456 142 V N -0.081 119.763 119.914 -0.117 0.000 2.295 142 V HA -0.247 3.868 4.120 -0.009 0.000 0.246 142 V C 2.618 178.675 176.094 -0.063 0.000 1.049 142 V CA 2.346 64.523 62.300 -0.205 0.000 1.024 142 V CB -0.675 30.769 31.823 -0.633 0.000 0.648 142 V HN 0.559 nan 8.190 nan 0.000 0.447 143 S N 0.790 116.440 115.700 -0.084 0.000 2.392 143 S HA -0.252 4.213 4.470 -0.009 0.000 0.232 143 S C 2.219 176.824 174.600 0.009 0.000 1.041 143 S CA 1.879 60.060 58.200 -0.032 0.000 1.026 143 S CB -0.461 62.717 63.200 -0.037 0.000 0.845 143 S HN 0.859 nan 8.310 nan 0.000 0.465 144 S N 0.326 116.036 115.700 0.017 0.000 2.399 144 S HA -0.121 4.344 4.470 -0.009 0.000 0.231 144 S C 1.570 176.137 174.600 -0.056 0.000 1.022 144 S CA 0.951 59.133 58.200 -0.030 0.000 0.983 144 S CB -0.813 62.344 63.200 -0.072 0.000 0.803 144 S HN 0.602 nan 8.310 nan 0.000 0.480 145 Y N 1.057 121.306 120.300 -0.085 0.000 2.509 145 Y HA 0.163 4.708 4.550 -0.008 0.000 0.293 145 Y C 1.671 177.517 175.900 -0.090 0.000 1.133 145 Y CA 0.576 58.616 58.100 -0.100 0.000 1.283 145 Y CB 0.258 38.632 38.460 -0.142 0.000 1.001 145 Y HN 0.211 nan 8.280 nan 0.000 0.555 146 V N -0.974 118.984 119.914 0.073 0.000 3.346 146 V HA 0.015 4.129 4.120 -0.009 0.000 0.309 146 V C 1.176 177.285 176.094 0.025 0.000 1.457 146 V CA -0.027 62.298 62.300 0.042 0.000 1.069 146 V CB 0.436 32.288 31.823 0.049 0.000 0.944 146 V HN 0.158 nan 8.190 nan 0.000 0.449 147 Q N 0.848 120.654 119.800 0.009 0.000 2.170 147 Q HA -0.094 4.241 4.340 -0.009 0.000 0.203 147 Q C 0.739 176.746 176.000 0.011 0.000 0.976 147 Q CA 1.223 57.029 55.803 0.004 0.000 0.858 147 Q CB -0.094 28.637 28.738 -0.013 0.000 0.907 147 Q HN 0.590 nan 8.270 nan 0.000 0.433 148 D N 0.908 121.311 120.400 0.005 0.000 2.412 148 D HA 0.209 4.843 4.640 -0.009 0.000 0.224 148 D C -0.880 175.427 176.300 0.011 0.000 1.093 148 D CA -0.041 53.962 54.000 0.006 0.000 0.850 148 D CB 0.458 41.253 40.800 -0.008 0.000 1.046 148 D HN -0.088 nan 8.370 nan 0.000 0.507 149 Q N 1.382 121.202 119.800 0.033 0.000 2.348 149 Q HA 0.704 5.038 4.340 -0.009 0.000 0.271 149 Q C -1.144 174.863 176.000 0.012 0.000 1.067 149 Q CA -1.009 54.809 55.803 0.025 0.000 0.839 149 Q CB 2.373 31.154 28.738 0.072 0.000 1.354 149 Q HN 0.334 nan 8.270 nan 0.000 0.447 150 S N -0.180 115.462 115.700 -0.096 0.000 2.537 150 S HA 0.097 4.562 4.470 -0.009 0.000 0.271 150 S C -0.032 174.363 174.600 -0.342 0.000 1.148 150 S CA -0.554 57.549 58.200 -0.162 0.000 0.868 150 S CB 1.692 64.866 63.200 -0.044 0.000 1.115 150 S HN 0.824 nan 8.310 nan 0.000 0.461 151 E N 1.508 121.415 120.200 -0.489 0.000 2.150 151 E HA -0.136 4.209 4.350 -0.009 0.000 0.193 151 E C 0.072 176.550 176.600 -0.203 0.000 0.985 151 E CA 0.844 56.993 56.400 -0.418 0.000 0.814 151 E CB 0.023 29.508 29.700 -0.359 0.000 0.752 151 E HN 0.602 nan 8.360 nan 0.000 0.466 152 D N 0.273 120.605 120.400 -0.113 0.000 2.441 152 D HA -0.052 4.582 4.640 -0.009 0.000 0.243 152 D C -0.242 176.110 176.300 0.087 0.000 1.257 152 D CA -0.035 53.945 54.000 -0.033 0.000 1.027 152 D CB -0.095 40.718 40.800 0.022 0.000 1.084 152 D HN 0.250 nan 8.370 nan 0.000 0.514 153 c N 2.734 121.345 118.600 0.019 0.000 3.596 153 c HA 0.368 4.933 4.570 -0.009 0.000 0.268 153 c C 0.507 174.635 174.090 0.064 0.000 1.912 153 c CA -0.773 55.648 56.329 0.152 0.000 1.721 153 c CB -1.261 41.261 42.510 0.020 0.000 3.328 153 c HN 0.427 nan 8.230 nan 0.000 0.500 154 L N 2.445 123.441 121.223 -0.379 0.000 2.389 154 L HA 0.443 4.778 4.340 -0.009 0.000 0.265 154 L C -1.014 175.268 176.870 -0.980 0.000 1.167 154 L CA 0.382 54.846 54.840 -0.625 0.000 1.045 154 L CB -0.533 41.031 42.059 -0.826 0.000 1.351 154 L HN 0.393 nan 8.230 nan 0.000 0.419 155 Y N 2.190 122.446 120.300 -0.073 0.000 2.512 155 Y HA 0.609 5.154 4.550 -0.009 0.000 0.348 155 Y C 0.176 176.232 175.900 0.261 0.000 0.990 155 Y CA -1.030 57.092 58.100 0.037 0.000 1.033 155 Y CB 2.144 40.605 38.460 0.003 0.000 1.259 155 Y HN 0.207 nan 8.280 nan 0.000 0.461 156 L N 0.000 121.423 121.223 0.334 0.000 2.256 156 L HA 0.794 5.129 4.340 -0.009 0.000 0.261 156 L C -1.394 175.577 176.870 0.168 0.000 1.022 156 L CA -1.076 53.880 54.840 0.194 0.000 0.828 156 L CB 2.469 44.518 42.059 -0.016 0.000 1.374 156 L HN 0.564 nan 8.230 nan 0.000 0.436 157 N N 1.780 120.596 118.700 0.193 0.000 2.295 157 N HA 0.573 5.308 4.740 -0.009 0.000 0.293 157 N C -1.048 174.556 175.510 0.157 0.000 1.040 157 N CA -0.404 52.761 53.050 0.191 0.000 0.840 157 N CB 2.819 41.514 38.487 0.347 0.000 1.468 157 N HN 0.536 nan 8.380 nan 0.000 0.478 158 I N 1.431 122.030 120.570 0.049 0.000 2.412 158 I HA 0.388 4.552 4.170 -0.009 0.000 0.296 158 I C -0.882 175.230 176.117 -0.008 0.000 0.987 158 I CA -0.622 60.740 61.300 0.105 0.000 1.180 158 I CB 0.799 38.820 38.000 0.035 0.000 1.340 158 I HN 0.345 nan 8.210 nan 0.000 0.455 159 Y N 4.224 124.650 120.300 0.209 0.000 2.338 159 Y HA 0.475 5.020 4.550 -0.009 0.000 0.328 159 Y C -0.093 175.926 175.900 0.198 0.000 0.965 159 Y CA -0.860 57.351 58.100 0.185 0.000 1.208 159 Y CB 1.916 40.463 38.460 0.145 0.000 1.132 159 Y HN 0.212 nan 8.280 nan 0.000 0.469 160 V N 5.789 125.900 119.914 0.329 0.000 2.417 160 V HA 0.481 4.596 4.120 -0.009 0.000 0.291 160 V C -2.232 173.996 176.094 0.223 0.000 1.024 160 V CA -2.444 60.040 62.300 0.306 0.000 0.861 160 V CB 1.640 33.725 31.823 0.436 0.000 0.985 160 V HN 0.501 nan 8.190 nan 0.000 0.436 161 P HA 0.308 nan 4.420 nan 0.000 0.282 161 P C -0.412 176.956 177.300 0.113 0.000 1.286 161 P CA -0.124 63.054 63.100 0.130 0.000 0.777 161 P CB 0.390 32.153 31.700 0.104 0.000 1.184 162 T N -0.513 114.089 114.554 0.080 0.000 2.937 162 T HA 0.386 4.730 4.350 -0.009 0.000 0.297 162 T C -0.469 174.259 174.700 0.048 0.000 0.991 162 T CA -0.521 61.619 62.100 0.066 0.000 0.990 162 T CB 1.159 70.058 68.868 0.053 0.000 0.991 162 T HN 0.203 nan 8.240 nan 0.000 0.440 163 E N 1.434 121.662 120.200 0.047 0.000 2.330 163 E HA 0.583 4.927 4.350 -0.009 0.000 0.256 163 E C -0.268 176.347 176.600 0.026 0.000 1.146 163 E CA -0.601 55.819 56.400 0.033 0.000 0.945 163 E CB 0.749 30.469 29.700 0.034 0.000 1.182 163 E HN 0.522 nan 8.360 nan 0.000 0.480 191 G N 1.930 110.747 108.800 0.029 0.000 2.841 191 G HA2 0.341 4.296 3.960 -0.009 0.000 0.684 191 G HA3 0.341 4.296 3.960 -0.009 0.000 0.684 191 G C -2.746 172.176 174.900 0.037 0.000 1.273 191 G CA -0.729 44.387 45.100 0.027 0.000 0.811 191 G HN 0.612 nan 8.290 nan 0.000 0.631 192 P HA 0.289 nan 4.420 nan 0.000 0.263 192 P C 0.191 177.518 177.300 0.045 0.000 1.195 192 P CA 0.241 63.370 63.100 0.048 0.000 0.762 192 P CB 0.447 32.171 31.700 0.040 0.000 0.799 193 K N 5.070 125.506 120.400 0.060 0.000 2.126 193 K HA 0.363 4.677 4.320 -0.009 0.000 0.257 193 K C -2.241 174.390 176.600 0.052 0.000 1.007 193 K CA -1.773 54.548 56.287 0.056 0.000 0.928 193 K CB -0.378 32.166 32.500 0.073 0.000 1.013 193 K HN 0.291 nan 8.250 nan 0.000 0.473 194 P HA 0.008 nan 4.420 nan 0.000 0.269 194 P C -0.995 176.338 177.300 0.054 0.000 1.215 194 P CA -0.287 62.834 63.100 0.034 0.000 0.780 194 P CB 0.556 32.264 31.700 0.014 0.000 0.898 195 V N 3.960 123.910 119.914 0.060 0.000 2.409 195 V HA 0.347 4.461 4.120 -0.009 0.000 0.291 195 V C 0.181 176.323 176.094 0.079 0.000 1.020 195 V CA -0.288 62.062 62.300 0.084 0.000 0.848 195 V CB 1.073 32.954 31.823 0.097 0.000 0.990 195 V HN 0.456 nan 8.190 nan 0.000 0.430 196 M N 5.177 124.826 119.600 0.083 0.000 2.061 196 M HA 0.472 4.947 4.480 -0.009 0.000 0.346 196 M C -0.895 175.595 176.300 0.317 0.000 1.112 196 M CA -0.540 54.797 55.300 0.062 0.000 1.021 196 M CB 1.608 34.091 32.600 -0.195 0.000 1.530 196 M HN 0.334 nan 8.290 nan 0.000 0.437 197 V N 4.172 124.299 119.914 0.355 0.000 2.370 197 V HA 0.229 4.344 4.120 -0.009 0.000 0.279 197 V C -0.913 175.418 176.094 0.394 0.000 1.029 197 V CA -0.614 61.882 62.300 0.326 0.000 0.870 197 V CB 0.972 32.875 31.823 0.133 0.000 0.984 197 V HN 0.614 nan 8.190 nan 0.000 0.451 198 Y N 6.045 126.404 120.300 0.099 0.000 2.353 198 Y HA 0.621 5.166 4.550 -0.009 0.000 0.340 198 Y C -0.212 175.543 175.900 -0.242 0.000 0.972 198 Y CA -0.811 57.043 58.100 -0.411 0.000 1.157 198 Y CB 1.131 39.219 38.460 -0.621 0.000 1.157 198 Y HN 0.566 nan 8.280 nan 0.000 0.495 199 I N 7.341 127.411 120.570 -0.834 0.000 2.307 199 I HA 0.144 4.309 4.170 -0.009 0.000 0.289 199 I C 0.349 176.006 176.117 -0.768 0.000 1.021 199 I CA -0.388 60.582 61.300 -0.550 0.000 1.224 199 I CB 0.259 38.004 38.000 -0.424 0.000 1.376 199 I HN 0.613 nan 8.210 nan 0.000 0.470 200 H N 4.800 123.664 119.070 -0.342 0.000 2.544 200 H HA 0.818 5.369 4.556 -0.009 0.000 0.365 200 H C -0.147 175.192 175.328 0.019 0.000 1.268 200 H CA -0.731 55.218 56.048 -0.164 0.000 1.400 200 H CB 1.518 31.366 29.762 0.144 0.000 1.538 200 H HN 0.677 nan 8.280 nan 0.000 0.597 201 G N -1.029 107.751 108.800 -0.034 0.000 2.093 201 G HA2 0.318 4.273 3.960 -0.009 0.000 0.298 201 G HA3 0.318 4.273 3.960 -0.009 0.000 0.298 201 G C 0.107 174.910 174.900 -0.162 0.000 1.713 201 G CA -0.126 44.882 45.100 -0.154 0.000 0.907 201 G HN 0.867 nan 8.290 nan 0.000 0.702 202 G N 0.595 109.264 108.800 -0.219 0.000 2.615 202 G HA2 0.377 4.332 3.960 -0.009 0.000 0.213 202 G HA3 0.377 4.332 3.960 -0.009 0.000 0.213 202 G C 1.403 176.050 174.900 -0.421 0.000 1.215 202 G CA 1.570 46.453 45.100 -0.362 0.000 0.843 202 G HN 1.835 nan 8.290 nan 0.000 0.571 203 S N -2.278 113.197 115.700 -0.374 0.000 2.937 203 S HA 0.307 4.772 4.470 -0.009 0.000 0.252 203 S C 0.586 175.061 174.600 -0.208 0.000 1.022 203 S CA 0.097 58.074 58.200 -0.372 0.000 1.079 203 S CB -0.098 62.952 63.200 -0.250 0.000 1.035 203 S HN 0.607 nan 8.310 nan 0.000 0.594 204 Y N -0.321 119.909 120.300 -0.118 0.000 4.936 204 Y HA -0.268 4.277 4.550 -0.009 0.000 0.260 204 Y C 1.505 177.435 175.900 0.049 0.000 0.928 204 Y CA 1.005 59.069 58.100 -0.061 0.000 1.869 204 Y CB -1.754 36.522 38.460 -0.306 0.000 1.344 204 Y HN 0.371 nan 8.280 nan 0.000 0.521 205 M N 0.102 119.778 119.600 0.126 0.000 2.516 205 M HA 0.151 4.626 4.480 -0.009 0.000 0.259 205 M C 0.876 177.238 176.300 0.104 0.000 1.146 205 M CA 1.189 56.567 55.300 0.129 0.000 1.122 205 M CB -0.049 32.603 32.600 0.086 0.000 1.341 205 M HN 0.386 nan 8.290 nan 0.000 0.478 206 E N -0.260 119.984 120.200 0.074 0.000 2.454 206 E HA 0.647 4.992 4.350 -0.009 0.000 0.279 206 E C -0.191 176.503 176.600 0.157 0.000 1.029 206 E CA -0.423 56.036 56.400 0.097 0.000 0.831 206 E CB 1.444 31.195 29.700 0.086 0.000 1.405 206 E HN 0.122 nan 8.360 nan 0.000 0.463 207 G N -0.327 108.582 108.800 0.180 0.000 2.462 207 G HA2 0.286 4.241 3.960 -0.009 0.000 0.685 207 G HA3 0.286 4.241 3.960 -0.009 0.000 0.685 207 G C -1.049 173.736 174.900 -0.193 0.000 1.295 207 G CA -0.242 44.945 45.100 0.145 0.000 0.941 207 G HN 0.881 nan 8.290 nan 0.000 0.554 208 T N -1.190 113.017 114.554 -0.579 0.000 2.840 208 T HA 0.603 4.948 4.350 -0.009 0.000 0.317 208 T C 1.288 175.679 174.700 -0.516 0.000 1.401 208 T CA 0.326 62.059 62.100 -0.611 0.000 1.028 208 T CB 1.474 70.210 68.868 -0.220 0.000 1.317 208 T HN 1.793 nan 8.240 nan 0.000 0.495 209 G N 0.752 109.453 108.800 -0.164 0.000 2.448 209 G HA2 -0.144 3.811 3.960 -0.009 0.000 0.218 209 G HA3 -0.144 3.811 3.960 -0.009 0.000 0.218 209 G C 1.181 176.195 174.900 0.191 0.000 1.135 209 G CA 0.356 45.578 45.100 0.204 0.000 0.784 209 G HN 0.642 nan 8.290 nan 0.000 0.543 210 N N 0.797 119.453 118.700 -0.074 0.000 2.258 210 N HA -0.091 4.644 4.740 -0.009 0.000 0.187 210 N C 1.940 177.331 175.510 -0.199 0.000 1.012 210 N CA 0.560 53.383 53.050 -0.377 0.000 0.870 210 N CB -0.369 37.620 38.487 -0.829 0.000 0.977 210 N HN 0.324 nan 8.380 nan 0.000 0.434 211 L N -0.729 120.333 121.223 -0.269 0.000 2.456 211 L HA -0.065 4.270 4.340 -0.009 0.000 0.224 211 L C -0.195 176.263 176.870 -0.686 0.000 1.148 211 L CA 0.667 55.062 54.840 -0.742 0.000 0.825 211 L CB -0.224 41.337 42.059 -0.829 0.000 0.937 211 L HN 0.141 nan 8.230 nan 0.000 0.450 212 Y N -0.978 119.230 120.300 -0.154 0.000 2.388 212 Y HA 0.234 4.779 4.550 -0.009 0.000 0.328 212 Y C -0.063 175.739 175.900 -0.164 0.000 0.963 212 Y CA -1.389 56.582 58.100 -0.215 0.000 1.240 212 Y CB 0.646 38.881 38.460 -0.374 0.000 1.118 212 Y HN -0.164 nan 8.280 nan 0.000 0.484 213 D N 2.747 123.109 120.400 -0.064 0.000 2.344 213 D HA 0.075 4.710 4.640 -0.009 0.000 0.253 213 D C 1.050 177.118 176.300 -0.386 0.000 1.255 213 D CA 0.298 54.235 54.000 -0.104 0.000 0.894 213 D CB 1.426 42.219 40.800 -0.012 0.000 1.067 213 D HN 0.919 nan 8.370 nan 0.000 0.492 214 G N 2.505 110.720 108.800 -0.974 0.000 2.920 214 G HA2 -0.112 3.842 3.960 -0.009 0.000 0.208 214 G HA3 -0.112 3.842 3.960 -0.009 0.000 0.208 214 G C 1.518 176.056 174.900 -0.603 0.000 1.159 214 G CA 0.029 44.596 45.100 -0.889 0.000 0.784 214 G HN 0.449 nan 8.290 nan 0.000 0.535 215 S N 0.476 115.917 115.700 -0.431 0.000 2.365 215 S HA -0.185 4.280 4.470 -0.009 0.000 0.221 215 S C 2.519 177.113 174.600 -0.010 0.000 1.037 215 S CA 1.503 59.712 58.200 0.014 0.000 1.060 215 S CB -0.470 62.802 63.200 0.119 0.000 0.974 215 S HN 0.198 nan 8.310 nan 0.000 0.427 216 V N 2.183 122.055 119.914 -0.069 0.000 2.332 216 V HA -0.156 3.958 4.120 -0.009 0.000 0.248 216 V C 2.227 178.310 176.094 -0.019 0.000 1.055 216 V CA 1.493 63.759 62.300 -0.058 0.000 1.038 216 V CB -0.727 31.010 31.823 -0.143 0.000 0.651 216 V HN 0.407 nan 8.190 nan 0.000 0.450 217 L N -0.155 121.032 121.223 -0.059 0.000 2.046 217 L HA -0.190 4.145 4.340 -0.009 0.000 0.208 217 L C 2.583 179.494 176.870 0.068 0.000 1.077 217 L CA 1.966 56.804 54.840 -0.004 0.000 0.747 217 L CB -0.553 41.491 42.059 -0.026 0.000 0.896 217 L HN 0.405 nan 8.230 nan 0.000 0.432 218 A N -1.424 121.431 122.820 0.059 0.000 1.898 218 A HA -0.213 4.102 4.320 -0.009 0.000 0.216 218 A C 2.482 180.128 177.584 0.102 0.000 1.181 218 A CA 1.839 53.938 52.037 0.104 0.000 0.620 218 A CB -0.624 18.473 19.000 0.161 0.000 0.819 218 A HN 0.476 nan 8.150 nan 0.000 0.442 219 S N -2.078 113.681 115.700 0.098 0.000 2.371 219 S HA -0.154 4.311 4.470 -0.009 0.000 0.224 219 S C 1.907 176.559 174.600 0.086 0.000 1.029 219 S CA 1.413 59.664 58.200 0.086 0.000 0.978 219 S CB -0.506 62.740 63.200 0.076 0.000 0.833 219 S HN 0.652 nan 8.310 nan 0.000 0.466 220 Y N 1.228 121.517 120.300 -0.018 0.000 2.314 220 Y HA 0.207 4.752 4.550 -0.009 0.000 0.293 220 Y C 2.041 177.929 175.900 -0.020 0.000 1.129 220 Y CA 1.477 59.559 58.100 -0.031 0.000 1.201 220 Y CB -0.485 37.941 38.460 -0.058 0.000 0.999 220 Y HN 0.325 nan 8.280 nan 0.000 0.541 221 G N -1.161 107.682 108.800 0.071 0.000 3.044 221 G HA2 -0.006 3.949 3.960 -0.009 0.000 0.223 221 G HA3 -0.006 3.949 3.960 -0.009 0.000 0.223 221 G C -0.090 174.805 174.900 -0.009 0.000 1.123 221 G CA 0.129 45.233 45.100 0.006 0.000 0.765 221 G HN 0.434 nan 8.290 nan 0.000 0.546 222 N N -0.956 117.750 118.700 0.011 0.000 2.756 222 N HA -0.163 4.572 4.740 -0.009 0.000 0.248 222 N C -0.414 175.125 175.510 0.048 0.000 1.062 222 N CA 0.714 53.780 53.050 0.026 0.000 0.696 222 N CB -1.199 37.287 38.487 -0.001 0.000 0.946 222 N HN 0.508 nan 8.380 nan 0.000 0.548 223 V N -2.815 117.141 119.914 0.069 0.000 2.962 223 V HA 0.676 4.791 4.120 -0.009 0.000 0.313 223 V C 0.532 176.694 176.094 0.113 0.000 1.099 223 V CA -1.204 61.141 62.300 0.076 0.000 0.971 223 V CB 2.237 34.094 31.823 0.057 0.000 1.028 223 V HN 0.020 nan 8.190 nan 0.000 0.430 224 I N 2.386 123.031 120.570 0.125 0.000 2.441 224 I HA 0.413 4.578 4.170 -0.009 0.000 0.287 224 I C -0.327 175.896 176.117 0.176 0.000 1.049 224 I CA -0.303 61.097 61.300 0.167 0.000 1.381 224 I CB 1.483 39.577 38.000 0.156 0.000 1.409 224 I HN 0.416 nan 8.210 nan 0.000 0.523 225 V N 7.633 127.693 119.914 0.243 0.000 2.448 225 V HA 0.474 4.589 4.120 -0.009 0.000 0.295 225 V C 0.112 176.428 176.094 0.371 0.000 1.025 225 V CA -0.500 61.960 62.300 0.267 0.000 0.859 225 V CB 2.157 34.086 31.823 0.177 0.000 0.988 225 V HN 0.452 nan 8.190 nan 0.000 0.431 226 I N 4.327 125.091 120.570 0.325 0.000 2.474 226 I HA 0.571 4.736 4.170 -0.009 0.000 0.294 226 I C 0.103 176.408 176.117 0.314 0.000 1.005 226 I CA -0.397 61.084 61.300 0.301 0.000 1.113 226 I CB 2.406 40.516 38.000 0.183 0.000 1.289 226 I HN 0.680 nan 8.210 nan 0.000 0.436 227 T N 3.307 118.061 114.554 0.334 0.000 2.807 227 T HA 0.702 5.047 4.350 -0.009 0.000 0.279 227 T C -0.421 174.430 174.700 0.251 0.000 0.993 227 T CA -0.718 61.567 62.100 0.308 0.000 0.970 227 T CB 1.687 70.761 68.868 0.343 0.000 0.950 227 T HN 0.442 nan 8.240 nan 0.000 0.441 228 V N 0.772 120.823 119.914 0.228 0.000 2.881 228 V HA 0.749 4.864 4.120 -0.009 0.000 0.316 228 V C -0.850 175.443 176.094 0.330 0.000 1.070 228 V CA -1.096 61.325 62.300 0.201 0.000 0.976 228 V CB 1.937 33.790 31.823 0.050 0.000 1.038 228 V HN 0.910 nan 8.190 nan 0.000 0.446 229 N N 2.289 121.202 118.700 0.355 0.000 2.372 229 N HA 0.594 5.328 4.740 -0.009 0.000 0.285 229 N C -1.357 174.392 175.510 0.399 0.000 1.008 229 N CA -0.133 53.107 53.050 0.316 0.000 0.880 229 N CB 1.849 40.477 38.487 0.236 0.000 1.239 229 N HN 0.960 nan 8.380 nan 0.000 0.484 230 Y N -1.060 119.397 120.300 0.263 0.000 2.605 230 Y HA 0.578 5.123 4.550 -0.009 0.000 0.343 230 Y C 0.112 176.086 175.900 0.124 0.000 1.036 230 Y CA -1.364 56.847 58.100 0.185 0.000 1.065 230 Y CB 0.890 39.431 38.460 0.134 0.000 1.288 230 Y HN 0.142 nan 8.280 nan 0.000 0.481 231 R N 1.826 122.436 120.500 0.184 0.000 2.623 231 R HA 0.375 4.710 4.340 -0.009 0.000 0.271 231 R C -0.913 175.454 176.300 0.110 0.000 1.043 231 R CA -0.017 56.114 56.100 0.051 0.000 1.083 231 R CB 0.268 30.564 30.300 -0.005 0.000 0.974 231 R HN 0.660 nan 8.270 nan 0.000 0.436 232 L N 1.415 122.693 121.223 0.090 0.000 2.322 232 L HA 0.449 4.784 4.340 -0.009 0.000 0.269 232 L C 1.300 178.342 176.870 0.287 0.000 1.012 232 L CA -0.367 54.612 54.840 0.231 0.000 0.815 232 L CB 1.686 43.809 42.059 0.106 0.000 1.295 232 L HN 0.922 nan 8.230 nan 0.000 0.438 233 G N 0.714 109.763 108.800 0.415 0.000 2.634 233 G HA2 -0.311 3.644 3.960 -0.009 0.000 0.309 233 G HA3 -0.311 3.644 3.960 -0.009 0.000 0.309 233 G C 0.894 175.911 174.900 0.195 0.000 1.265 233 G CA 0.374 45.654 45.100 0.300 0.000 0.998 233 G HN 0.426 nan 8.290 nan 0.000 0.551 234 V N 1.001 120.827 119.914 -0.146 0.000 2.295 234 V HA -0.139 3.976 4.120 -0.009 0.000 0.246 234 V C 2.986 179.133 176.094 0.088 0.000 1.049 234 V CA 2.549 64.621 62.300 -0.381 0.000 1.024 234 V CB -0.745 30.811 31.823 -0.445 0.000 0.648 234 V HN 0.499 nan 8.190 nan 0.000 0.447 235 L N 0.281 121.576 121.223 0.119 0.000 2.191 235 L HA -0.073 4.262 4.340 -0.009 0.000 0.212 235 L C 2.344 179.290 176.870 0.128 0.000 1.103 235 L CA 1.551 56.459 54.840 0.112 0.000 0.769 235 L CB -0.765 41.259 42.059 -0.059 0.000 0.908 235 L HN 0.513 nan 8.230 nan 0.000 0.438 236 G N -1.832 107.037 108.800 0.114 0.000 2.719 236 G HA2 -0.010 3.945 3.960 -0.009 0.000 0.211 236 G HA3 -0.010 3.945 3.960 -0.009 0.000 0.211 236 G C 0.830 175.471 174.900 -0.432 0.000 1.140 236 G CA -0.003 45.017 45.100 -0.133 0.000 0.790 236 G HN 0.325 nan 8.290 nan 0.000 0.529 237 F N -0.754 119.353 119.950 0.261 0.000 2.960 237 F HA 0.399 4.921 4.527 -0.008 0.000 0.345 237 F C 0.282 176.206 175.800 0.207 0.000 1.147 237 F CA -0.994 57.101 58.000 0.159 0.000 1.099 237 F CB 0.338 39.381 39.000 0.072 0.000 1.219 237 F HN -0.101 nan 8.300 nan 0.000 0.525 238 L N 1.762 123.202 121.223 0.361 0.000 2.615 238 L HA 0.213 4.548 4.340 -0.009 0.000 0.284 238 L C 0.343 177.320 176.870 0.179 0.000 1.237 238 L CA 0.891 55.873 54.840 0.237 0.000 0.905 238 L CB 0.380 42.365 42.059 -0.123 0.000 1.149 238 L HN 0.139 nan 8.230 nan 0.000 0.499 239 S N 1.792 117.585 115.700 0.155 0.000 2.540 239 S HA 0.573 5.037 4.470 -0.009 0.000 0.275 239 S C 0.364 174.992 174.600 0.046 0.000 1.123 239 S CA -0.030 58.206 58.200 0.060 0.000 0.907 239 S CB 1.612 64.826 63.200 0.023 0.000 1.081 239 S HN 0.800 nan 8.310 nan 0.000 0.476 240 T N 0.219 114.782 114.554 0.016 0.000 3.092 240 T HA 0.415 4.760 4.350 -0.009 0.000 0.258 240 T C 1.415 176.116 174.700 0.002 0.000 1.031 240 T CA 0.537 62.642 62.100 0.008 0.000 0.925 240 T CB -0.004 68.863 68.868 -0.001 0.000 1.036 240 T HN 1.809 nan 8.240 nan 0.000 0.544 241 G N 1.057 109.857 108.800 -0.000 0.000 2.166 241 G HA2 -0.219 3.736 3.960 -0.009 0.000 0.260 241 G HA3 -0.219 3.736 3.960 -0.009 0.000 0.260 241 G C -0.270 174.630 174.900 -0.001 0.000 0.986 241 G CA 0.467 45.565 45.100 -0.004 0.000 0.683 241 G HN 0.588 nan 8.290 nan 0.000 0.527 242 D N -1.841 118.561 120.400 0.004 0.000 2.712 242 D HA 0.470 5.105 4.640 -0.009 0.000 0.252 242 D C 1.270 177.582 176.300 0.019 0.000 1.123 242 D CA -0.416 53.590 54.000 0.011 0.000 1.109 242 D CB 0.259 41.066 40.800 0.012 0.000 1.313 242 D HN 0.041 nan 8.370 nan 0.000 0.629 243 Q N -0.259 119.558 119.800 0.027 0.000 2.408 243 Q HA 0.174 4.509 4.340 -0.009 0.000 0.205 243 Q C 1.363 177.395 176.000 0.054 0.000 0.919 243 Q CA 0.326 56.154 55.803 0.041 0.000 0.932 243 Q CB 0.231 28.994 28.738 0.040 0.000 1.058 243 Q HN 0.466 nan 8.270 nan 0.000 0.517 244 A N 1.141 123.986 122.820 0.042 0.000 1.849 244 A HA 0.019 4.333 4.320 -0.009 0.000 0.217 244 A C 1.054 178.677 177.584 0.065 0.000 1.202 244 A CA 1.602 53.665 52.037 0.043 0.000 0.629 244 A CB -0.506 18.507 19.000 0.021 0.000 0.834 244 A HN 0.401 nan 8.150 nan 0.000 0.447 245 A N -1.621 121.232 122.820 0.056 0.000 2.357 245 A HA 0.624 4.939 4.320 -0.009 0.000 0.295 245 A C 0.328 177.961 177.584 0.081 0.000 1.121 245 A CA -0.461 51.645 52.037 0.115 0.000 0.742 245 A CB 1.063 20.073 19.000 0.017 0.000 1.181 245 A HN 0.338 nan 8.150 nan 0.000 0.454 246 K N 1.624 122.076 120.400 0.086 0.000 2.361 246 K HA 0.346 4.660 4.320 -0.009 0.000 0.196 246 K C 1.069 177.544 176.600 -0.208 0.000 1.039 246 K CA 0.805 57.068 56.287 -0.040 0.000 1.001 246 K CB 0.194 32.689 32.500 -0.009 0.000 0.795 246 K HN 1.423 nan 8.250 nan 0.000 0.495 247 G N 1.488 109.997 108.800 -0.486 0.000 2.725 247 G HA2 -0.273 3.682 3.960 -0.009 0.000 0.220 247 G HA3 -0.273 3.682 3.960 -0.009 0.000 0.220 247 G C -0.364 174.029 174.900 -0.845 0.000 1.357 247 G CA -0.349 44.355 45.100 -0.660 0.000 0.866 247 G HN 0.238 nan 8.290 nan 0.000 0.548 248 N N -1.951 116.467 118.700 -0.470 0.000 2.800 248 N HA -0.225 4.509 4.740 -0.009 0.000 0.250 248 N C 1.056 176.298 175.510 -0.446 0.000 1.078 248 N CA 1.921 54.774 53.050 -0.328 0.000 0.804 248 N CB -1.654 36.685 38.487 -0.248 0.000 1.135 248 N HN 0.736 nan 8.380 nan 0.000 0.565 249 Y N -0.168 119.973 120.300 -0.265 0.000 2.165 249 Y HA -0.138 4.407 4.550 -0.008 0.000 0.286 249 Y C 2.594 178.320 175.900 -0.290 0.000 1.155 249 Y CA 1.358 59.326 58.100 -0.220 0.000 1.164 249 Y CB -0.422 37.953 38.460 -0.142 0.000 0.978 249 Y HN 0.255 nan 8.280 nan 0.000 0.513 250 G N -0.037 108.463 108.800 -0.500 0.000 2.443 250 G HA2 -0.160 3.795 3.960 -0.009 0.000 0.219 250 G HA3 -0.160 3.795 3.960 -0.009 0.000 0.219 250 G C 1.573 176.363 174.900 -0.184 0.000 1.131 250 G CA 0.713 45.629 45.100 -0.306 0.000 0.775 250 G HN 0.326 nan 8.290 nan 0.000 0.547 251 L N -0.265 120.841 121.223 -0.196 0.000 2.072 251 L HA 0.088 4.423 4.340 -0.009 0.000 0.205 251 L C 2.844 179.661 176.870 -0.089 0.000 1.079 251 L CA 0.424 55.189 54.840 -0.125 0.000 0.752 251 L CB -0.353 41.651 42.059 -0.091 0.000 0.906 251 L HN 0.187 nan 8.230 nan 0.000 0.436 252 L N -0.401 120.777 121.223 -0.074 0.000 2.083 252 L HA -0.234 4.101 4.340 -0.009 0.000 0.209 252 L C 2.190 179.109 176.870 0.082 0.000 1.083 252 L CA 1.009 55.853 54.840 0.007 0.000 0.752 252 L CB -0.636 41.445 42.059 0.037 0.000 0.899 252 L HN 0.257 nan 8.230 nan 0.000 0.433 253 D N 0.246 120.700 120.400 0.089 0.000 2.123 253 D HA -0.182 4.453 4.640 -0.009 0.000 0.196 253 D C 2.370 178.774 176.300 0.173 0.000 0.992 253 D CA 1.254 55.375 54.000 0.201 0.000 0.833 253 D CB -0.214 40.731 40.800 0.243 0.000 0.954 253 D HN 0.263 nan 8.370 nan 0.000 0.455 254 L N 0.433 121.670 121.223 0.024 0.000 2.056 254 L HA -0.136 4.199 4.340 -0.009 0.000 0.207 254 L C 2.399 179.270 176.870 0.001 0.000 1.078 254 L CA 0.501 55.302 54.840 -0.065 0.000 0.749 254 L CB -0.313 41.640 42.059 -0.176 0.000 0.901 254 L HN 0.063 nan 8.230 nan 0.000 0.433 255 I N -0.007 120.602 120.570 0.065 0.000 2.099 255 I HA -0.330 3.834 4.170 -0.009 0.000 0.239 255 I C 2.652 178.864 176.117 0.158 0.000 1.066 255 I CA 1.692 63.077 61.300 0.142 0.000 1.324 255 I CB -1.078 37.035 38.000 0.189 0.000 1.037 255 I HN 0.361 nan 8.210 nan 0.000 0.401 256 Q N 1.537 121.445 119.800 0.181 0.000 2.077 256 Q HA -0.178 4.157 4.340 -0.009 0.000 0.206 256 Q C 2.205 178.346 176.000 0.236 0.000 0.989 256 Q CA 2.626 58.573 55.803 0.239 0.000 0.853 256 Q CB -0.462 28.444 28.738 0.280 0.000 0.907 256 Q HN 0.462 nan 8.270 nan 0.000 0.418 257 A N 0.082 122.912 122.820 0.017 0.000 1.940 257 A HA -0.153 4.162 4.320 -0.009 0.000 0.219 257 A C 2.135 179.705 177.584 -0.024 0.000 1.176 257 A CA 1.617 53.408 52.037 -0.410 0.000 0.631 257 A CB -0.762 17.635 19.000 -1.006 0.000 0.814 257 A HN 0.479 nan 8.150 nan 0.000 0.446 258 L N -1.450 119.805 121.223 0.053 0.000 2.240 258 L HA -0.077 4.258 4.340 -0.009 0.000 0.211 258 L C 2.831 179.811 176.870 0.182 0.000 1.106 258 L CA 0.458 55.381 54.840 0.138 0.000 0.793 258 L CB -0.355 41.811 42.059 0.178 0.000 0.927 258 L HN 0.311 nan 8.230 nan 0.000 0.446 259 R N -0.575 120.044 120.500 0.198 0.000 2.062 259 R HA -0.219 4.116 4.340 -0.009 0.000 0.231 259 R C 2.016 178.451 176.300 0.226 0.000 1.136 259 R CA 1.958 58.173 56.100 0.192 0.000 0.948 259 R CB -0.856 29.566 30.300 0.203 0.000 0.845 259 R HN 0.412 nan 8.270 nan 0.000 0.430 260 W N 1.738 123.110 121.300 0.120 0.000 2.318 260 W HA -0.253 4.402 4.660 -0.009 0.000 0.313 260 W C 2.110 178.683 176.519 0.090 0.000 1.221 260 W CA 2.307 59.744 57.345 0.153 0.000 1.266 260 W CB -0.409 29.155 29.460 0.172 0.000 1.150 260 W HN 0.030 nan 8.180 nan 0.000 0.496 261 T N -0.668 114.178 114.554 0.487 0.000 2.708 261 T HA -0.255 4.090 4.350 -0.009 0.000 0.266 261 T C 1.933 176.652 174.700 0.032 0.000 1.037 261 T CA 1.858 64.146 62.100 0.313 0.000 1.146 261 T CB -0.833 68.191 68.868 0.260 0.000 0.865 261 T HN 0.167 nan 8.240 nan 0.000 0.435 262 S N 0.942 116.669 115.700 0.046 0.000 2.382 262 S HA -0.116 4.349 4.470 -0.009 0.000 0.228 262 S C 1.948 176.481 174.600 -0.112 0.000 1.027 262 S CA 1.374 59.569 58.200 -0.007 0.000 0.991 262 S CB -0.210 63.010 63.200 0.034 0.000 0.823 262 S HN 0.778 nan 8.310 nan 0.000 0.469 263 E N -0.847 119.250 120.200 -0.172 0.000 2.481 263 E HA 0.171 4.516 4.350 -0.009 0.000 0.198 263 E C 0.653 176.916 176.600 -0.561 0.000 1.027 263 E CA -0.006 56.232 56.400 -0.270 0.000 0.900 263 E CB 0.008 29.610 29.700 -0.163 0.000 0.993 263 E HN 0.445 nan 8.360 nan 0.000 0.482 264 N N 0.091 118.368 118.700 -0.705 0.000 2.113 264 N HA 0.087 4.822 4.740 -0.009 0.000 0.223 264 N C 0.942 176.051 175.510 -0.668 0.000 1.310 264 N CA 0.036 52.446 53.050 -1.066 0.000 0.896 264 N CB 0.620 38.288 38.487 -1.366 0.000 1.097 264 N HN 0.065 nan 8.380 nan 0.000 0.507 265 I N 1.480 121.845 120.570 -0.341 0.000 3.059 265 I HA 0.120 4.285 4.170 -0.009 0.000 0.270 265 I C 2.102 178.265 176.117 0.075 0.000 1.238 265 I CA 0.584 61.891 61.300 0.011 0.000 1.478 265 I CB -0.144 37.862 38.000 0.010 0.000 1.097 265 I HN 0.014 nan 8.210 nan 0.000 0.455 266 G N 0.302 109.017 108.800 -0.142 0.000 2.442 266 G HA2 -0.264 3.691 3.960 -0.009 0.000 0.219 266 G HA3 -0.264 3.691 3.960 -0.009 0.000 0.219 266 G C 1.629 176.611 174.900 0.138 0.000 1.141 266 G CA 0.814 45.897 45.100 -0.028 0.000 0.763 266 G HN 0.490 nan 8.290 nan 0.000 0.554 267 F N -0.514 119.437 119.950 0.001 0.000 2.333 267 F HA 0.039 4.560 4.527 -0.009 0.000 0.300 267 F C 1.829 177.477 175.800 -0.253 0.000 1.083 267 F CA 0.065 57.964 58.000 -0.169 0.000 1.395 267 F CB -0.173 38.631 39.000 -0.327 0.000 1.056 267 F HN 0.072 nan 8.300 nan 0.000 0.529 268 F N -0.320 119.695 119.950 0.108 0.000 2.749 268 F HA 0.341 4.863 4.527 -0.009 0.000 0.300 268 F C 1.659 177.519 175.800 0.100 0.000 1.103 268 F CA 0.496 58.541 58.000 0.075 0.000 1.342 268 F CB 0.173 39.191 39.000 0.029 0.000 1.098 268 F HN 0.001 nan 8.300 nan 0.000 0.586 269 G N 0.177 109.121 108.800 0.240 0.000 2.148 269 G HA2 -0.125 3.830 3.960 -0.009 0.000 0.203 269 G HA3 -0.125 3.830 3.960 -0.009 0.000 0.203 269 G C 0.561 175.548 174.900 0.144 0.000 0.993 269 G CA -0.371 44.828 45.100 0.166 0.000 0.661 269 G HN 0.701 nan 8.290 nan 0.000 0.518 270 G N -0.569 108.323 108.800 0.154 0.000 2.507 270 G HA2 0.489 4.444 3.960 -0.009 0.000 0.271 270 G HA3 0.489 4.444 3.960 -0.009 0.000 0.271 270 G C -0.822 174.116 174.900 0.062 0.000 1.189 270 G CA 0.234 45.398 45.100 0.106 0.000 0.859 270 G HN 0.217 nan 8.290 nan 0.000 0.542 271 D N 0.867 121.297 120.400 0.050 0.000 2.427 271 D HA 0.307 4.942 4.640 -0.009 0.000 0.226 271 D C -1.243 175.073 176.300 0.025 0.000 1.076 271 D CA -2.333 51.686 54.000 0.031 0.000 0.849 271 D CB 2.034 42.850 40.800 0.028 0.000 1.052 271 D HN 0.048 nan 8.370 nan 0.000 0.515 272 P HA -0.048 nan 4.420 nan 0.000 0.226 272 P C 1.136 178.446 177.300 0.017 0.000 1.153 272 P CA 0.497 63.602 63.100 0.009 0.000 0.777 272 P CB 0.499 32.186 31.700 -0.022 0.000 0.794 273 L N -1.233 119.996 121.223 0.009 0.000 2.607 273 L HA 0.208 4.543 4.340 -0.009 0.000 0.228 273 L C 1.371 178.245 176.870 0.007 0.000 1.123 273 L CA 0.149 54.990 54.840 0.002 0.000 0.890 273 L CB -0.039 42.013 42.059 -0.011 0.000 1.103 273 L HN -0.204 nan 8.230 nan 0.000 0.468 274 R N 0.724 121.236 120.500 0.020 0.000 2.782 274 R HA 0.407 4.742 4.340 -0.009 0.000 0.293 274 R C -0.640 175.686 176.300 0.043 0.000 1.333 274 R CA -0.163 55.946 56.100 0.016 0.000 1.479 274 R CB 0.935 31.234 30.300 -0.002 0.000 1.306 274 R HN 0.131 nan 8.270 nan 0.000 0.654 275 I N 1.034 121.657 120.570 0.088 0.000 2.315 275 I HA 0.190 4.354 4.170 -0.009 0.000 0.291 275 I C 0.224 176.440 176.117 0.165 0.000 1.006 275 I CA -0.105 61.274 61.300 0.131 0.000 1.265 275 I CB 1.895 40.006 38.000 0.184 0.000 1.387 275 I HN -0.013 nan 8.210 nan 0.000 0.475 276 T N 6.094 120.709 114.554 0.102 0.000 2.758 276 T HA 0.359 4.704 4.350 -0.009 0.000 0.285 276 T C -0.129 174.613 174.700 0.070 0.000 0.981 276 T CA -0.334 61.819 62.100 0.087 0.000 0.965 276 T CB 1.467 70.348 68.868 0.023 0.000 0.927 276 T HN 0.158 nan 8.240 nan 0.000 0.448 277 V N 6.237 126.125 119.914 -0.044 0.000 2.509 277 V HA 0.713 4.828 4.120 -0.009 0.000 0.284 277 V C -0.497 175.663 176.094 0.111 0.000 1.047 277 V CA -0.445 61.787 62.300 -0.113 0.000 0.952 277 V CB 0.618 32.027 31.823 -0.690 0.000 0.988 277 V HN 0.809 nan 8.190 nan 0.000 0.469 278 F N 2.210 122.072 119.950 -0.146 0.000 2.631 278 F HA 0.991 5.513 4.527 -0.009 0.000 0.308 278 F C -0.206 175.438 175.800 -0.260 0.000 1.097 278 F CA -1.549 56.397 58.000 -0.091 0.000 0.952 278 F CB 1.603 40.662 39.000 0.098 0.000 1.307 278 F HN 0.735 nan 8.300 nan 0.000 0.450 279 G N 0.288 108.889 108.800 -0.332 0.000 2.579 279 G HA2 0.546 4.501 3.960 -0.009 0.000 0.292 279 G HA3 0.546 4.501 3.960 -0.009 0.000 0.292 279 G C -2.237 172.550 174.900 -0.187 0.000 1.484 279 G CA -0.557 44.163 45.100 -0.633 0.000 0.813 279 G HN 0.980 nan 8.290 nan 0.000 0.515 280 S N -0.581 115.042 115.700 -0.129 0.000 2.536 280 S HA 0.809 5.274 4.470 -0.009 0.000 0.298 280 S C 1.016 175.643 174.600 0.044 0.000 1.083 280 S CA 1.273 59.506 58.200 0.055 0.000 0.995 280 S CB 1.061 64.353 63.200 0.153 0.000 1.058 280 S HN 2.707 nan 8.310 nan 0.000 0.488 281 G N 3.091 111.997 108.800 0.176 0.000 2.561 281 G HA2 -0.234 3.721 3.960 -0.009 0.000 0.289 281 G HA3 -0.234 3.721 3.960 -0.009 0.000 0.289 281 G C 1.092 176.002 174.900 0.016 0.000 1.169 281 G CA 0.421 45.684 45.100 0.271 0.000 0.980 281 G HN 1.786 nan 8.290 nan 0.000 0.550 282 A N 0.235 122.948 122.820 -0.179 0.000 2.121 282 A HA 0.345 4.660 4.320 -0.009 0.000 0.218 282 A C 2.782 180.188 177.584 -0.297 0.000 1.154 282 A CA 2.264 54.047 52.037 -0.424 0.000 0.679 282 A CB -0.975 17.514 19.000 -0.851 0.000 0.795 282 A HN 2.125 nan 8.150 nan 0.000 0.458 283 G N -0.102 108.561 108.800 -0.228 0.000 2.421 283 G HA2 0.017 3.971 3.960 -0.009 0.000 0.216 283 G HA3 0.017 3.971 3.960 -0.009 0.000 0.216 283 G C 1.545 176.304 174.900 -0.235 0.000 1.171 283 G CA 1.121 46.052 45.100 -0.282 0.000 0.775 283 G HN 0.636 nan 8.290 nan 0.000 0.543 284 G N 0.638 109.352 108.800 -0.143 0.000 2.440 284 G HA2 -0.191 3.764 3.960 -0.009 0.000 0.218 284 G HA3 -0.191 3.764 3.960 -0.009 0.000 0.218 284 G C 2.133 176.984 174.900 -0.081 0.000 1.154 284 G CA 1.511 46.559 45.100 -0.086 0.000 0.767 284 G HN 0.417 nan 8.290 nan 0.000 0.552 285 S N -0.344 115.317 115.700 -0.065 0.000 2.353 285 S HA -0.200 4.264 4.470 -0.009 0.000 0.222 285 S C 2.522 177.105 174.600 -0.027 0.000 1.035 285 S CA 1.359 59.546 58.200 -0.022 0.000 1.025 285 S CB -0.626 62.587 63.200 0.021 0.000 0.902 285 S HN 0.555 nan 8.310 nan 0.000 0.440 286 C N 0.985 120.255 119.300 -0.049 0.000 2.398 286 C HA -0.066 4.389 4.460 -0.009 0.000 0.276 286 C C 2.642 177.548 174.990 -0.139 0.000 1.222 286 C CA 0.598 59.562 59.018 -0.091 0.000 1.746 286 C CB -1.429 26.202 27.740 -0.181 0.000 2.039 286 C HN 0.418 nan 8.230 nan 0.000 0.470 287 V N 1.833 121.637 119.914 -0.182 0.000 2.252 287 V HA -0.284 3.831 4.120 -0.009 0.000 0.249 287 V C 2.305 178.309 176.094 -0.151 0.000 1.056 287 V CA 2.340 64.511 62.300 -0.215 0.000 1.022 287 V CB -0.708 30.991 31.823 -0.207 0.000 0.641 287 V HN 0.556 nan 8.190 nan 0.000 0.445 288 N N -0.055 118.579 118.700 -0.110 0.000 2.084 288 N HA -0.110 4.625 4.740 -0.009 0.000 0.190 288 N C 1.848 177.330 175.510 -0.047 0.000 1.030 288 N CA 1.489 54.492 53.050 -0.078 0.000 0.849 288 N CB -0.433 38.019 38.487 -0.058 0.000 1.012 288 N HN 0.393 nan 8.380 nan 0.000 0.423 289 L N 1.090 122.290 121.223 -0.039 0.000 2.043 289 L HA -0.164 4.171 4.340 -0.009 0.000 0.212 289 L C 2.355 179.224 176.870 -0.000 0.000 1.075 289 L CA 0.896 55.721 54.840 -0.025 0.000 0.752 289 L CB -0.496 41.541 42.059 -0.037 0.000 0.891 289 L HN 0.157 nan 8.230 nan 0.000 0.432 290 L N -0.355 120.869 121.223 0.002 0.000 2.131 290 L HA -0.188 4.147 4.340 -0.009 0.000 0.210 290 L C 2.640 179.595 176.870 0.141 0.000 1.092 290 L CA 1.844 56.740 54.840 0.093 0.000 0.759 290 L CB -0.829 41.298 42.059 0.114 0.000 0.903 290 L HN 0.495 nan 8.230 nan 0.000 0.435 291 T N -3.245 111.331 114.554 0.037 0.000 3.160 291 T HA 0.031 4.376 4.350 -0.009 0.000 0.257 291 T C 1.452 176.179 174.700 0.045 0.000 1.147 291 T CA 0.345 62.355 62.100 -0.150 0.000 1.064 291 T CB -0.087 68.571 68.868 -0.351 0.000 0.949 291 T HN 0.279 nan 8.240 nan 0.000 0.526 292 L N 0.487 121.761 121.223 0.084 0.000 2.616 292 L HA 0.358 4.693 4.340 -0.009 0.000 0.229 292 L C 1.232 178.225 176.870 0.204 0.000 1.110 292 L CA -0.278 54.654 54.840 0.152 0.000 0.884 292 L CB 0.196 42.308 42.059 0.089 0.000 1.115 292 L HN 0.184 nan 8.230 nan 0.000 0.481 293 S N -1.145 114.665 115.700 0.182 0.000 2.499 293 S HA 0.195 4.660 4.470 -0.009 0.000 0.279 293 S C 0.672 175.456 174.600 0.307 0.000 1.219 293 S CA -0.441 57.899 58.200 0.235 0.000 1.062 293 S CB 0.652 63.945 63.200 0.155 0.000 0.978 293 S HN 0.236 nan 8.310 nan 0.000 0.489 294 H N 3.528 122.735 119.070 0.228 0.000 2.556 294 H HA 0.179 4.730 4.556 -0.009 0.000 0.268 294 H C 0.280 175.709 175.328 0.168 0.000 0.996 294 H CA 0.727 56.875 56.048 0.168 0.000 1.157 294 H CB -0.051 29.770 29.762 0.099 0.000 1.355 294 H HN 0.654 nan 8.280 nan 0.000 0.597 295 Y N -0.421 119.954 120.300 0.126 0.000 2.475 295 Y HA -0.070 4.475 4.550 -0.009 0.000 0.289 295 Y C 2.243 178.184 175.900 0.069 0.000 1.121 295 Y CA 0.980 59.135 58.100 0.090 0.000 1.257 295 Y CB 0.156 38.670 38.460 0.089 0.000 1.026 295 Y HN 0.181 nan 8.280 nan 0.000 0.555 296 S N -0.939 114.888 115.700 0.211 0.000 2.605 296 S HA 0.052 4.517 4.470 -0.009 0.000 0.217 296 S C 0.590 175.144 174.600 -0.076 0.000 0.958 296 S CA -0.450 57.812 58.200 0.103 0.000 0.919 296 S CB -0.308 62.989 63.200 0.161 0.000 0.780 296 S HN 0.433 nan 8.310 nan 0.000 0.507 308 L N -0.010 121.178 121.223 -0.058 0.000 2.408 308 L HA 0.474 4.809 4.340 -0.009 0.000 0.215 308 L C 0.735 177.713 176.870 0.179 0.000 1.081 308 L CA 0.554 55.435 54.840 0.068 0.000 0.840 308 L CB 0.034 42.183 42.059 0.150 0.000 1.002 308 L HN 0.355 nan 8.230 nan 0.000 0.468 309 F N -3.468 116.556 119.950 0.124 0.000 2.686 309 F HA 0.526 5.047 4.527 -0.009 0.000 0.311 309 F C 0.029 175.940 175.800 0.185 0.000 1.128 309 F CA -0.865 57.214 58.000 0.131 0.000 0.946 309 F CB 1.407 40.484 39.000 0.129 0.000 1.336 309 F HN -0.357 nan 8.300 nan 0.000 0.457 310 Q N 0.120 120.141 119.800 0.368 0.000 2.210 310 Q HA 0.417 4.752 4.340 -0.009 0.000 0.252 310 Q C -0.628 175.563 176.000 0.318 0.000 0.811 310 Q CA 0.084 55.998 55.803 0.185 0.000 0.953 310 Q CB 1.144 29.906 28.738 0.041 0.000 1.136 310 Q HN 0.622 nan 8.270 nan 0.000 0.491 311 R N -0.568 120.186 120.500 0.423 0.000 2.836 311 R HA 0.896 5.231 4.340 -0.009 0.000 0.269 311 R C -1.419 175.110 176.300 0.382 0.000 1.010 311 R CA -0.970 55.320 56.100 0.317 0.000 0.930 311 R CB 1.944 32.213 30.300 -0.051 0.000 1.218 311 R HN -0.017 nan 8.270 nan 0.000 0.473 312 A N 1.680 124.710 122.820 0.350 0.000 2.488 312 A HA 0.659 4.974 4.320 -0.009 0.000 0.298 312 A C -1.159 176.475 177.584 0.084 0.000 1.044 312 A CA -0.681 51.436 52.037 0.134 0.000 0.693 312 A CB 1.243 20.238 19.000 -0.007 0.000 1.272 312 A HN 0.622 nan 8.150 nan 0.000 0.402 313 I N 1.906 122.490 120.570 0.024 0.000 2.410 313 I HA 0.558 4.723 4.170 -0.009 0.000 0.286 313 I C 0.352 176.468 176.117 -0.001 0.000 1.009 313 I CA -0.422 60.833 61.300 -0.075 0.000 1.111 313 I CB 1.940 39.872 38.000 -0.113 0.000 1.262 313 I HN 0.742 nan 8.210 nan 0.000 0.443 314 A N 6.214 129.000 122.820 -0.056 0.000 2.271 314 A HA 0.673 4.987 4.320 -0.009 0.000 0.317 314 A C -0.604 176.996 177.584 0.028 0.000 1.245 314 A CA -0.472 51.547 52.037 -0.030 0.000 0.857 314 A CB 0.715 19.669 19.000 -0.077 0.000 1.175 314 A HN 0.718 nan 8.150 nan 0.000 0.512 315 Q N 1.529 121.396 119.800 0.111 0.000 2.333 315 Q HA 0.485 4.819 4.340 -0.009 0.000 0.265 315 Q C -0.140 175.960 176.000 0.166 0.000 0.989 315 Q CA -0.451 55.469 55.803 0.194 0.000 0.842 315 Q CB 1.501 30.424 28.738 0.309 0.000 1.262 315 Q HN 0.863 nan 8.270 nan 0.000 0.451 316 S N 1.213 117.005 115.700 0.153 0.000 3.447 316 S HA -0.158 4.307 4.470 -0.009 0.000 0.371 316 S C -0.013 174.833 174.600 0.408 0.000 0.951 316 S CA 0.536 58.918 58.200 0.303 0.000 1.269 316 S CB -1.222 62.178 63.200 0.333 0.000 0.919 316 S HN 0.933 nan 8.310 nan 0.000 0.516 317 G N 0.136 109.073 108.800 0.229 0.000 2.717 317 G HA2 0.608 4.562 3.960 -0.009 0.000 0.300 317 G HA3 0.608 4.562 3.960 -0.009 0.000 0.300 317 G C -0.727 174.203 174.900 0.051 0.000 1.424 317 G CA 0.133 45.321 45.100 0.147 0.000 1.033 317 G HN 0.814 nan 8.290 nan 0.000 0.577 318 T N -1.366 113.201 114.554 0.023 0.000 2.778 318 T HA 0.730 5.074 4.350 -0.009 0.000 0.293 318 T C 0.771 175.461 174.700 -0.017 0.000 1.144 318 T CA 0.130 62.222 62.100 -0.013 0.000 1.010 318 T CB 1.808 70.659 68.868 -0.029 0.000 1.325 318 T HN 1.536 nan 8.240 nan 0.000 0.515 319 A N -0.125 122.682 122.820 -0.022 0.000 2.345 319 A HA 0.517 4.832 4.320 -0.009 0.000 0.225 319 A C 1.364 178.935 177.584 -0.023 0.000 1.243 319 A CA -0.243 51.784 52.037 -0.016 0.000 0.875 319 A CB -0.725 18.266 19.000 -0.016 0.000 0.929 319 A HN 0.726 nan 8.150 nan 0.000 0.502 320 L N -0.040 121.148 121.223 -0.057 0.000 2.731 320 L HA 0.143 4.478 4.340 -0.009 0.000 0.240 320 L C 0.993 177.751 176.870 -0.187 0.000 1.120 320 L CA 0.170 54.959 54.840 -0.084 0.000 0.913 320 L CB 0.193 42.203 42.059 -0.080 0.000 1.213 320 L HN 0.391 nan 8.230 nan 0.000 0.515 321 S N -0.620 114.931 115.700 -0.249 0.000 2.614 321 S HA 0.094 4.559 4.470 -0.009 0.000 0.265 321 S C 1.431 175.750 174.600 -0.468 0.000 1.303 321 S CA -0.036 57.866 58.200 -0.496 0.000 1.000 321 S CB 1.477 64.309 63.200 -0.614 0.000 0.935 321 S HN 0.271 nan 8.310 nan 0.000 0.551 322 S N -0.040 115.219 115.700 -0.735 0.000 2.419 322 S HA -0.124 4.341 4.470 -0.009 0.000 0.233 322 S C 0.951 175.331 174.600 -0.365 0.000 1.016 322 S CA 0.875 58.714 58.200 -0.602 0.000 0.974 322 S CB -0.838 61.825 63.200 -0.896 0.000 0.786 322 S HN 1.015 nan 8.310 nan 0.000 0.492 323 W N 0.688 121.829 121.300 -0.264 0.000 3.067 323 W HA 0.868 5.524 4.660 -0.008 0.000 0.417 323 W C 1.274 177.746 176.519 -0.078 0.000 1.029 323 W CA -1.405 55.843 57.345 -0.162 0.000 1.992 323 W CB -0.876 28.475 29.460 -0.181 0.000 1.122 323 W HN 0.240 nan 8.180 nan 0.000 0.681 324 A N 0.935 123.865 122.820 0.184 0.000 1.903 324 A HA 0.319 4.634 4.320 -0.009 0.000 0.213 324 A C 0.952 178.566 177.584 0.051 0.000 1.185 324 A CA 1.678 53.819 52.037 0.172 0.000 0.628 324 A CB -0.558 18.476 19.000 0.058 0.000 0.830 324 A HN 0.413 nan 8.150 nan 0.000 0.446 325 V N -2.136 117.699 119.914 -0.132 0.000 2.914 325 V HA 0.721 4.836 4.120 -0.009 0.000 0.314 325 V C -0.266 175.526 176.094 -0.504 0.000 1.084 325 V CA -0.284 61.767 62.300 -0.415 0.000 0.963 325 V CB 1.775 33.240 31.823 -0.598 0.000 1.025 325 V HN 0.238 nan 8.190 nan 0.000 0.432 326 S N 2.626 118.042 115.700 -0.474 0.000 2.430 326 S HA 0.537 5.002 4.470 -0.009 0.000 0.289 326 S C 0.025 174.412 174.600 -0.356 0.000 1.143 326 S CA -0.403 57.624 58.200 -0.289 0.000 1.067 326 S CB -0.107 62.971 63.200 -0.202 0.000 0.964 326 S HN 0.658 nan 8.310 nan 0.000 0.485 327 F N 2.559 122.517 119.950 0.012 0.000 2.749 327 F HA 0.302 4.824 4.527 -0.008 0.000 0.300 327 F C 1.663 177.457 175.800 -0.010 0.000 1.103 327 F CA -0.137 57.860 58.000 -0.005 0.000 1.342 327 F CB 0.389 39.381 39.000 -0.013 0.000 1.098 327 F HN 0.523 nan 8.300 nan 0.000 0.586 328 Q N 0.753 120.648 119.800 0.158 0.000 2.470 328 Q HA 0.150 4.485 4.340 -0.009 0.000 0.389 328 Q C -1.837 174.181 176.000 0.029 0.000 0.888 328 Q CA -1.400 54.432 55.803 0.047 0.000 1.106 328 Q CB 0.719 29.432 28.738 -0.041 0.000 1.368 328 Q HN 0.089 nan 8.270 nan 0.000 0.403 329 P HA -0.210 nan 4.420 nan 0.000 0.216 329 P C 1.185 178.504 177.300 0.031 0.000 1.153 329 P CA 1.375 64.513 63.100 0.064 0.000 0.848 329 P CB 0.312 32.035 31.700 0.039 0.000 0.787 330 A N 1.016 123.829 122.820 -0.011 0.000 1.917 330 A HA -0.255 4.060 4.320 -0.009 0.000 0.219 330 A C 2.438 179.974 177.584 -0.081 0.000 1.182 330 A CA 2.579 54.599 52.037 -0.028 0.000 0.633 330 A CB -1.471 17.508 19.000 -0.035 0.000 0.819 330 A HN 0.222 nan 8.150 nan 0.000 0.448 331 K N -1.549 118.733 120.400 -0.198 0.000 2.063 331 K HA -0.199 4.116 4.320 -0.009 0.000 0.208 331 K C 1.758 178.143 176.600 -0.360 0.000 1.048 331 K CA 2.014 58.092 56.287 -0.348 0.000 0.928 331 K CB -0.369 31.777 32.500 -0.590 0.000 0.713 331 K HN 0.619 nan 8.250 nan 0.000 0.442 332 Y N -0.173 120.072 120.300 -0.092 0.000 2.420 332 Y HA 0.057 4.602 4.550 -0.009 0.000 0.292 332 Y C 2.320 178.244 175.900 0.039 0.000 1.119 332 Y CA 0.409 58.429 58.100 -0.134 0.000 1.229 332 Y CB -0.056 38.136 38.460 -0.446 0.000 1.026 332 Y HN 0.186 nan 8.280 nan 0.000 0.554 333 A N 0.561 123.502 122.820 0.202 0.000 1.902 333 A HA -0.215 4.100 4.320 -0.009 0.000 0.217 333 A C 2.154 179.817 177.584 0.132 0.000 1.181 333 A CA 1.766 53.941 52.037 0.231 0.000 0.623 333 A CB -0.604 18.477 19.000 0.134 0.000 0.818 333 A HN 0.384 nan 8.150 nan 0.000 0.443 334 R N -0.365 120.171 120.500 0.059 0.000 2.080 334 R HA -0.086 4.249 4.340 -0.009 0.000 0.236 334 R C 1.949 178.280 176.300 0.052 0.000 1.137 334 R CA 1.925 58.042 56.100 0.029 0.000 0.943 334 R CB -0.452 29.838 30.300 -0.018 0.000 0.846 334 R HN 0.576 nan 8.270 nan 0.000 0.431 335 I N 0.321 120.929 120.570 0.063 0.000 2.226 335 I HA -0.275 3.889 4.170 -0.009 0.000 0.245 335 I C 2.163 178.359 176.117 0.131 0.000 1.100 335 I CA 0.684 62.036 61.300 0.088 0.000 1.374 335 I CB -0.296 37.769 38.000 0.109 0.000 1.057 335 I HN 0.235 nan 8.210 nan 0.000 0.413 336 L N 1.244 122.587 121.223 0.201 0.000 1.970 336 L HA -0.190 4.145 4.340 -0.009 0.000 0.212 336 L C 2.625 179.571 176.870 0.126 0.000 1.071 336 L CA 2.254 57.220 54.840 0.210 0.000 0.751 336 L CB -1.003 41.249 42.059 0.322 0.000 0.889 336 L HN 0.213 nan 8.230 nan 0.000 0.432 337 A N -1.378 121.504 122.820 0.103 0.000 1.859 337 A HA -0.328 3.987 4.320 -0.009 0.000 0.218 337 A C 2.318 179.936 177.584 0.057 0.000 1.209 337 A CA 2.990 55.066 52.037 0.065 0.000 0.639 337 A CB -1.562 17.465 19.000 0.046 0.000 0.835 337 A HN 0.540 nan 8.150 nan 0.000 0.450 338 T N -0.264 114.321 114.554 0.053 0.000 2.649 338 T HA -0.224 4.120 4.350 -0.009 0.000 0.268 338 T C 1.870 176.598 174.700 0.047 0.000 1.036 338 T CA 2.071 64.196 62.100 0.043 0.000 1.157 338 T CB -0.317 68.573 68.868 0.038 0.000 0.861 338 T HN 0.560 nan 8.240 nan 0.000 0.445 339 K N 0.648 121.084 120.400 0.061 0.000 2.283 339 K HA -0.015 4.300 4.320 -0.009 0.000 0.202 339 K C 1.855 178.485 176.600 0.050 0.000 1.048 339 K CA 1.039 57.362 56.287 0.059 0.000 0.948 339 K CB 0.034 32.579 32.500 0.076 0.000 0.742 339 K HN 0.423 nan 8.250 nan 0.000 0.458 340 V N -3.635 116.309 119.914 0.051 0.000 3.427 340 V HA 0.393 4.508 4.120 -0.009 0.000 0.305 340 V C 0.513 176.628 176.094 0.034 0.000 1.412 340 V CA 0.004 62.329 62.300 0.042 0.000 1.086 340 V CB 0.080 31.932 31.823 0.049 0.000 0.964 340 V HN 0.251 nan 8.190 nan 0.000 0.439 341 G N 0.030 108.850 108.800 0.033 0.000 2.370 341 G HA2 -0.189 3.766 3.960 -0.009 0.000 0.268 341 G HA3 -0.189 3.766 3.960 -0.009 0.000 0.268 341 G C -0.165 174.751 174.900 0.026 0.000 1.122 341 G CA -0.079 45.037 45.100 0.026 0.000 0.963 341 G HN 0.702 nan 8.290 nan 0.000 0.500 342 c N 0.201 118.819 118.600 0.029 0.000 2.470 342 c HA 0.632 5.197 4.570 -0.009 0.000 0.341 342 c C 0.663 174.766 174.090 0.022 0.000 1.190 342 c CA -0.820 55.526 56.329 0.027 0.000 1.904 342 c CB 1.845 44.374 42.510 0.032 0.000 2.354 342 c HN 0.645 nan 8.230 nan 0.000 0.509 343 Q N 1.060 120.871 119.800 0.019 0.000 2.369 343 Q HA 0.090 4.425 4.340 -0.009 0.000 0.247 343 Q C 0.560 176.568 176.000 0.013 0.000 1.083 343 Q CA -0.005 55.806 55.803 0.014 0.000 0.905 343 Q CB 1.006 29.751 28.738 0.013 0.000 1.305 343 Q HN 0.672 nan 8.270 nan 0.000 0.465 344 V N 3.041 122.962 119.914 0.012 0.000 3.623 344 V HA -0.149 3.965 4.120 -0.009 0.000 0.274 344 V C 1.460 177.557 176.094 0.005 0.000 1.244 344 V CA 1.164 63.469 62.300 0.009 0.000 1.182 344 V CB -0.599 31.230 31.823 0.009 0.000 0.925 344 V HN 0.788 nan 8.190 nan 0.000 0.462 345 S N 0.584 116.287 115.700 0.005 0.000 2.499 345 S HA -0.113 4.352 4.470 -0.009 0.000 0.206 345 S C 0.566 175.167 174.600 0.003 0.000 1.165 345 S CA 0.852 59.053 58.200 0.003 0.000 1.503 345 S CB -0.614 62.588 63.200 0.005 0.000 1.004 345 S HN 0.641 nan 8.310 nan 0.000 0.385 346 D N 1.919 122.322 120.400 0.005 0.000 2.399 346 D HA 0.178 4.813 4.640 -0.009 0.000 0.241 346 D C 1.410 177.713 176.300 0.005 0.000 1.133 346 D CA 0.748 54.751 54.000 0.005 0.000 0.890 346 D CB 0.836 41.640 40.800 0.008 0.000 1.201 346 D HN 0.669 nan 8.370 nan 0.000 0.432 347 T N -2.238 112.319 114.554 0.004 0.000 2.951 347 T HA -0.122 4.223 4.350 -0.009 0.000 0.268 347 T C 1.893 176.596 174.700 0.005 0.000 1.073 347 T CA 1.125 63.226 62.100 0.002 0.000 1.134 347 T CB -0.454 68.414 68.868 0.001 0.000 0.884 347 T HN 0.343 nan 8.240 nan 0.000 0.479 348 V N 0.234 120.154 119.914 0.011 0.000 2.358 348 V HA -0.030 4.084 4.120 -0.009 0.000 0.246 348 V C 2.439 178.544 176.094 0.018 0.000 1.047 348 V CA 1.962 64.272 62.300 0.017 0.000 1.035 348 V CB -1.051 30.784 31.823 0.019 0.000 0.658 348 V HN 0.522 nan 8.190 nan 0.000 0.452 349 E N -0.016 120.193 120.200 0.015 0.000 2.358 349 E HA -0.089 4.256 4.350 -0.009 0.000 0.195 349 E C 2.035 178.646 176.600 0.018 0.000 1.010 349 E CA 0.850 57.260 56.400 0.018 0.000 0.856 349 E CB 0.046 29.755 29.700 0.015 0.000 0.795 349 E HN 0.729 nan 8.360 nan 0.000 0.504 350 L N 0.050 121.280 121.223 0.011 0.000 2.023 350 L HA -0.150 4.185 4.340 -0.009 0.000 0.205 350 L C 2.217 179.086 176.870 -0.001 0.000 1.073 350 L CA 0.972 55.816 54.840 0.006 0.000 0.745 350 L CB -0.117 41.941 42.059 -0.002 0.000 0.900 350 L HN 0.003 nan 8.230 nan 0.000 0.435 351 V N -0.058 119.846 119.914 -0.016 0.000 2.343 351 V HA -0.276 3.839 4.120 -0.009 0.000 0.247 351 V C 2.421 178.554 176.094 0.065 0.000 1.051 351 V CA 2.040 64.320 62.300 -0.032 0.000 1.036 351 V CB -0.750 31.052 31.823 -0.035 0.000 0.654 351 V HN 0.479 nan 8.190 nan 0.000 0.451 352 E N -0.702 119.532 120.200 0.058 0.000 2.070 352 E HA -0.329 4.016 4.350 -0.009 0.000 0.197 352 E C 2.306 178.949 176.600 0.071 0.000 1.004 352 E CA 1.932 58.371 56.400 0.064 0.000 0.805 352 E CB -0.394 29.330 29.700 0.040 0.000 0.744 352 E HN 0.688 nan 8.360 nan 0.000 0.451 353 c N 0.555 119.189 118.600 0.057 0.000 2.413 353 c HA -0.126 4.439 4.570 -0.009 0.000 0.276 353 c C 2.560 176.702 174.090 0.087 0.000 1.236 353 c CA 0.736 57.099 56.329 0.057 0.000 1.735 353 c CB -0.970 41.566 42.510 0.042 0.000 2.031 353 c HN 0.347 nan 8.230 nan 0.000 0.474 354 L N 0.120 121.416 121.223 0.120 0.000 2.179 354 L HA -0.096 4.239 4.340 -0.009 0.000 0.208 354 L C 2.932 180.004 176.870 0.337 0.000 1.096 354 L CA 0.969 55.934 54.840 0.208 0.000 0.779 354 L CB -0.865 41.296 42.059 0.170 0.000 0.922 354 L HN 0.354 nan 8.230 nan 0.000 0.443 355 Q N 0.847 120.856 119.800 0.348 0.000 2.173 355 Q HA -0.252 4.083 4.340 -0.009 0.000 0.208 355 Q C 2.008 178.044 176.000 0.060 0.000 0.989 355 Q CA 1.758 57.693 55.803 0.220 0.000 0.872 355 Q CB -0.068 28.762 28.738 0.154 0.000 0.909 355 Q HN 0.536 nan 8.270 nan 0.000 0.420 356 K N -0.092 120.349 120.400 0.068 0.000 2.356 356 K HA 0.084 4.399 4.320 -0.009 0.000 0.195 356 K C 0.460 177.075 176.600 0.026 0.000 1.037 356 K CA 0.051 56.355 56.287 0.029 0.000 1.014 356 K CB 0.396 32.911 32.500 0.026 0.000 0.815 356 K HN 0.023 nan 8.250 nan 0.000 0.507 357 K N 2.049 122.477 120.400 0.046 0.000 2.258 357 K HA 0.118 4.433 4.320 -0.009 0.000 0.264 357 K C -2.549 174.063 176.600 0.020 0.000 1.007 357 K CA -1.696 54.611 56.287 0.033 0.000 0.941 357 K CB 0.064 32.595 32.500 0.051 0.000 0.966 357 K HN -0.185 nan 8.250 nan 0.000 0.480 358 P HA -0.069 nan 4.420 nan 0.000 0.267 358 P C 0.081 177.340 177.300 -0.069 0.000 1.205 358 P CA 0.119 63.182 63.100 -0.062 0.000 0.765 358 P CB 0.100 31.730 31.700 -0.117 0.000 0.828 359 Y N 3.469 123.753 120.300 -0.025 0.000 2.315 359 Y HA -0.198 4.347 4.550 -0.009 0.000 0.288 359 Y C 1.588 177.483 175.900 -0.007 0.000 1.154 359 Y CA 1.309 59.394 58.100 -0.026 0.000 1.229 359 Y CB -0.982 37.451 38.460 -0.045 0.000 0.980 359 Y HN 0.163 nan 8.280 nan 0.000 0.540 360 K N 0.742 120.840 120.400 -0.503 0.000 2.097 360 K HA -0.181 4.134 4.320 -0.009 0.000 0.206 360 K C 1.888 178.438 176.600 -0.085 0.000 1.049 360 K CA 1.752 57.873 56.287 -0.276 0.000 0.933 360 K CB -0.202 32.086 32.500 -0.353 0.000 0.717 360 K HN 0.593 nan 8.250 nan 0.000 0.442 361 E N 0.710 120.864 120.200 -0.076 0.000 2.118 361 E HA -0.183 4.162 4.350 -0.009 0.000 0.195 361 E C 2.063 178.677 176.600 0.023 0.000 0.992 361 E CA 0.999 57.389 56.400 -0.018 0.000 0.804 361 E CB -0.089 29.604 29.700 -0.011 0.000 0.741 361 E HN 0.272 nan 8.360 nan 0.000 0.458 362 L N 0.134 121.383 121.223 0.045 0.000 2.131 362 L HA -0.108 4.227 4.340 -0.009 0.000 0.206 362 L C 2.414 179.317 176.870 0.056 0.000 1.087 362 L CA 0.469 55.345 54.840 0.061 0.000 0.767 362 L CB -0.194 41.918 42.059 0.089 0.000 0.917 362 L HN -0.006 nan 8.230 nan 0.000 0.441 363 V N -0.674 119.288 119.914 0.080 0.000 2.488 363 V HA -0.193 3.922 4.120 -0.009 0.000 0.246 363 V C 1.581 177.718 176.094 0.072 0.000 1.046 363 V CA 1.490 63.844 62.300 0.090 0.000 1.053 363 V CB -0.377 31.535 31.823 0.149 0.000 0.679 363 V HN 0.361 nan 8.190 nan 0.000 0.458 364 D N -0.529 119.903 120.400 0.053 0.000 2.363 364 D HA 0.017 4.651 4.640 -0.009 0.000 0.226 364 D C 1.011 177.342 176.300 0.051 0.000 1.020 364 D CA 0.372 54.399 54.000 0.044 0.000 0.892 364 D CB -0.054 40.758 40.800 0.021 0.000 0.900 364 D HN 0.353 nan 8.370 nan 0.000 0.531 365 Q N 0.752 120.591 119.800 0.064 0.000 2.293 365 Q HA 0.194 4.529 4.340 -0.009 0.000 0.251 365 Q C -0.926 175.132 176.000 0.097 0.000 0.930 365 Q CA -0.214 55.636 55.803 0.079 0.000 0.893 365 Q CB 1.246 30.040 28.738 0.092 0.000 1.215 365 Q HN -0.162 nan 8.270 nan 0.000 0.425 366 D N 2.203 122.657 120.400 0.090 0.000 2.473 366 D HA 0.298 4.933 4.640 -0.009 0.000 0.226 366 D C -1.475 174.886 176.300 0.100 0.000 1.089 366 D CA -0.381 53.672 54.000 0.088 0.000 0.883 366 D CB 0.532 41.369 40.800 0.061 0.000 1.029 366 D HN 0.215 nan 8.370 nan 0.000 0.517 367 V N 4.903 124.893 119.914 0.128 0.000 2.294 367 V HA 0.263 4.378 4.120 -0.009 0.000 0.272 367 V C 0.130 176.226 176.094 0.004 0.000 1.027 367 V CA -0.671 61.696 62.300 0.111 0.000 0.823 367 V CB 0.992 32.935 31.823 0.199 0.000 1.030 367 V HN 0.484 nan 8.190 nan 0.000 0.457 368 Q N 6.727 126.531 119.800 0.008 0.000 2.296 368 Q HA 0.391 4.726 4.340 -0.009 0.000 0.257 368 Q C -2.055 173.901 176.000 -0.073 0.000 0.942 368 Q CA -1.395 54.388 55.803 -0.033 0.000 0.939 368 Q CB 1.847 30.587 28.738 0.004 0.000 1.198 368 Q HN 0.550 nan 8.270 nan 0.000 0.429 369 P HA 0.266 nan 4.420 nan 0.000 0.297 369 P C -1.018 176.261 177.300 -0.035 0.000 1.307 369 P CA -0.560 62.416 63.100 -0.206 0.000 0.773 369 P CB 0.533 32.023 31.700 -0.349 0.000 1.265 370 A N 0.434 123.256 122.820 0.003 0.000 2.466 370 A HA 0.049 4.364 4.320 -0.009 0.000 0.238 370 A C 1.787 179.386 177.584 0.026 0.000 1.074 370 A CA -0.158 51.873 52.037 -0.009 0.000 0.774 370 A CB -0.230 18.694 19.000 -0.127 0.000 1.015 370 A HN 0.478 nan 8.150 nan 0.000 0.498 371 R N 0.356 120.801 120.500 -0.092 0.000 2.179 371 R HA -0.229 4.105 4.340 -0.009 0.000 0.238 371 R C 0.467 176.543 176.300 -0.373 0.000 1.119 371 R CA 2.551 58.418 56.100 -0.388 0.000 0.915 371 R CB -0.678 29.158 30.300 -0.773 0.000 0.870 371 R HN 0.864 nan 8.270 nan 0.000 0.432 372 Y N -0.325 120.113 120.300 0.230 0.000 2.746 372 Y HA 0.243 4.788 4.550 -0.009 0.000 0.312 372 Y C 0.515 176.377 175.900 -0.063 0.000 1.117 372 Y CA -0.462 57.721 58.100 0.139 0.000 1.324 372 Y CB 0.136 38.541 38.460 -0.093 0.000 1.173 372 Y HN 0.100 nan 8.280 nan 0.000 0.529 373 H N -0.341 118.834 119.070 0.175 0.000 2.864 373 H HA 0.436 4.987 4.556 -0.009 0.000 0.354 373 H C -0.871 174.500 175.328 0.071 0.000 1.208 373 H CA -0.968 55.153 56.048 0.122 0.000 1.191 373 H CB 2.824 32.615 29.762 0.049 0.000 1.889 373 H HN -0.046 nan 8.280 nan 0.000 0.574 374 I N 0.450 121.109 120.570 0.148 0.000 2.646 374 I HA 0.235 4.400 4.170 -0.009 0.000 0.299 374 I C 0.652 176.631 176.117 -0.231 0.000 1.036 374 I CA -0.180 61.112 61.300 -0.014 0.000 1.074 374 I CB 1.856 39.895 38.000 0.064 0.000 1.258 374 I HN 0.775 nan 8.210 nan 0.000 0.430 375 A N 6.425 128.975 122.820 -0.449 0.000 1.887 375 A HA 0.183 4.498 4.320 -0.009 0.000 0.210 375 A C 0.233 177.366 177.584 -0.753 0.000 1.221 375 A CA 0.806 52.270 52.037 -0.955 0.000 0.635 375 A CB -0.115 18.104 19.000 -1.301 0.000 0.881 375 A HN 0.487 nan 8.150 nan 0.000 0.456 376 F N -0.153 119.724 119.950 -0.122 0.000 2.347 376 F HA 0.639 5.161 4.527 -0.008 0.000 0.366 376 F C 0.682 176.347 175.800 -0.226 0.000 1.107 376 F CA -0.135 57.839 58.000 -0.045 0.000 1.058 376 F CB 1.460 40.512 39.000 0.088 0.000 1.236 376 F HN 0.324 nan 8.300 nan 0.000 0.456 377 G N 2.631 111.247 108.800 -0.308 0.000 2.619 377 G HA2 0.561 4.516 3.960 -0.009 0.000 0.305 377 G HA3 0.561 4.516 3.960 -0.009 0.000 0.305 377 G C -3.323 171.042 174.900 -0.892 0.000 1.330 377 G CA -1.645 42.769 45.100 -1.144 0.000 0.789 377 G HN 0.110 nan 8.290 nan 0.000 0.487 378 P HA 0.284 nan 4.420 nan 0.000 0.267 378 P C -0.530 176.578 177.300 -0.321 0.000 1.195 378 P CA 0.006 62.848 63.100 -0.430 0.000 0.773 378 P CB 0.886 32.316 31.700 -0.451 0.000 0.837 379 V N 3.993 123.785 119.914 -0.203 0.000 2.841 379 V HA 0.297 4.412 4.120 -0.009 0.000 0.310 379 V C 0.025 176.017 176.094 -0.170 0.000 1.090 379 V CA -0.749 61.432 62.300 -0.199 0.000 0.930 379 V CB 2.085 33.836 31.823 -0.119 0.000 1.014 379 V HN 0.323 nan 8.190 nan 0.000 0.425 380 I N 4.990 125.461 120.570 -0.166 0.000 2.483 380 I HA 0.148 4.312 4.170 -0.009 0.000 0.291 380 I C 0.350 176.432 176.117 -0.059 0.000 1.112 380 I CA 0.306 61.554 61.300 -0.088 0.000 1.350 380 I CB 0.390 38.372 38.000 -0.030 0.000 1.419 380 I HN 0.781 nan 8.210 nan 0.000 0.523 381 D N 4.230 124.594 120.400 -0.060 0.000 2.479 381 D HA 0.115 4.750 4.640 -0.009 0.000 0.218 381 D C 1.237 177.523 176.300 -0.023 0.000 1.177 381 D CA -0.044 53.927 54.000 -0.048 0.000 0.830 381 D CB 0.484 41.237 40.800 -0.077 0.000 1.014 381 D HN 0.642 nan 8.370 nan 0.000 0.503 382 G N 0.543 109.336 108.800 -0.012 0.000 2.212 382 G HA2 -0.364 3.590 3.960 -0.009 0.000 0.267 382 G HA3 -0.364 3.590 3.960 -0.009 0.000 0.267 382 G C 0.326 175.238 174.900 0.020 0.000 1.002 382 G CA 1.132 46.234 45.100 0.004 0.000 0.729 382 G HN 0.562 nan 8.290 nan 0.000 0.517 383 D N -1.962 118.448 120.400 0.016 0.000 3.041 383 D HA 0.229 4.864 4.640 -0.009 0.000 0.201 383 D C 2.324 178.654 176.300 0.051 0.000 1.432 383 D CA 0.759 54.802 54.000 0.072 0.000 1.469 383 D CB -0.391 40.443 40.800 0.057 0.000 1.051 383 D HN 0.126 nan 8.370 nan 0.000 0.203 384 V N 1.024 120.835 119.914 -0.172 0.000 2.255 384 V HA -0.064 4.051 4.120 -0.009 0.000 0.247 384 V C 1.111 177.141 176.094 -0.105 0.000 1.051 384 V CA 1.331 63.413 62.300 -0.363 0.000 1.018 384 V CB -0.387 31.157 31.823 -0.465 0.000 0.641 384 V HN 0.308 nan 8.190 nan 0.000 0.445 385 I N 1.805 122.325 120.570 -0.085 0.000 2.388 385 I HA 0.211 4.376 4.170 -0.009 0.000 0.281 385 I C -1.559 174.550 176.117 -0.013 0.000 1.046 385 I CA -1.601 59.676 61.300 -0.038 0.000 1.187 385 I CB 1.678 39.636 38.000 -0.070 0.000 1.351 385 I HN 0.153 nan 8.210 nan 0.000 0.472 386 P HA -0.033 nan 4.420 nan 0.000 0.225 386 P C 0.055 177.362 177.300 0.012 0.000 1.148 386 P CA 1.248 64.357 63.100 0.016 0.000 0.779 386 P CB 0.429 32.139 31.700 0.017 0.000 0.780 387 D N -2.157 118.254 120.400 0.019 0.000 2.807 387 D HA 0.058 4.693 4.640 -0.009 0.000 0.279 387 D C -1.497 174.831 176.300 0.046 0.000 1.247 387 D CA -0.656 53.362 54.000 0.030 0.000 0.749 387 D CB 0.260 41.076 40.800 0.026 0.000 1.264 387 D HN -0.317 nan 8.370 nan 0.000 0.421 388 D N 1.197 121.642 120.400 0.075 0.000 2.570 388 D HA 0.029 4.664 4.640 -0.009 0.000 0.243 388 D C -1.543 174.803 176.300 0.078 0.000 1.171 388 D CA -0.808 53.261 54.000 0.115 0.000 0.879 388 D CB 1.173 42.040 40.800 0.110 0.000 1.143 388 D HN 0.034 nan 8.370 nan 0.000 0.511 389 P HA -0.234 nan 4.420 nan 0.000 0.216 389 P C 1.255 178.584 177.300 0.048 0.000 1.154 389 P CA 1.565 64.693 63.100 0.046 0.000 0.865 389 P CB 0.176 31.892 31.700 0.028 0.000 0.789 390 Q N -0.430 119.400 119.800 0.050 0.000 2.045 390 Q HA -0.192 4.143 4.340 -0.009 0.000 0.206 390 Q C 1.965 177.996 176.000 0.051 0.000 0.991 390 Q CA 1.880 57.708 55.803 0.041 0.000 0.851 390 Q CB -1.036 27.714 28.738 0.022 0.000 0.911 390 Q HN 0.080 nan 8.270 nan 0.000 0.418 391 I N 0.247 120.845 120.570 0.046 0.000 2.099 391 I HA -0.284 3.881 4.170 -0.009 0.000 0.239 391 I C 2.380 178.526 176.117 0.047 0.000 1.066 391 I CA 1.334 62.659 61.300 0.042 0.000 1.324 391 I CB -1.549 36.470 38.000 0.032 0.000 1.037 391 I HN 0.314 nan 8.210 nan 0.000 0.401 392 L N -0.309 120.946 121.223 0.053 0.000 1.990 392 L HA -0.272 4.063 4.340 -0.009 0.000 0.213 392 L C 2.818 179.758 176.870 0.116 0.000 1.072 392 L CA 1.506 56.387 54.840 0.067 0.000 0.755 392 L CB -0.603 41.511 42.059 0.091 0.000 0.889 392 L HN 0.246 nan 8.230 nan 0.000 0.432 393 M N -0.787 118.896 119.600 0.139 0.000 2.117 393 M HA -0.238 4.237 4.480 -0.009 0.000 0.262 393 M C 2.164 178.604 176.300 0.232 0.000 1.065 393 M CA 1.692 57.110 55.300 0.196 0.000 1.114 393 M CB -0.779 31.852 32.600 0.051 0.000 1.361 393 M HN 0.310 nan 8.290 nan 0.000 0.408 394 E N 0.179 120.471 120.200 0.153 0.000 2.150 394 E HA -0.190 4.154 4.350 -0.009 0.000 0.193 394 E C 1.617 178.323 176.600 0.176 0.000 0.985 394 E CA 0.957 57.466 56.400 0.182 0.000 0.814 394 E CB 0.160 29.929 29.700 0.115 0.000 0.752 394 E HN 0.575 nan 8.360 nan 0.000 0.466 395 Q N -1.268 118.546 119.800 0.022 0.000 2.319 395 Q HA 0.132 4.467 4.340 -0.009 0.000 0.202 395 Q C 0.672 176.387 176.000 -0.474 0.000 0.896 395 Q CA 0.356 56.112 55.803 -0.077 0.000 0.942 395 Q CB 1.206 29.911 28.738 -0.055 0.000 1.083 395 Q HN 0.358 nan 8.270 nan 0.000 0.510 396 G N 1.704 109.934 108.800 -0.950 0.000 2.198 396 G HA2 -0.234 3.721 3.960 -0.009 0.000 0.260 396 G HA3 -0.234 3.721 3.960 -0.009 0.000 0.260 396 G C -0.097 174.083 174.900 -1.200 0.000 1.025 396 G CA -0.059 43.833 45.100 -2.013 0.000 0.769 396 G HN 0.251 nan 8.290 nan 0.000 0.507 397 E N -0.106 119.765 120.200 -0.548 0.000 2.261 397 E HA 0.430 4.774 4.350 -0.009 0.000 0.308 397 E C 0.282 176.871 176.600 -0.019 0.000 1.400 397 E CA 0.178 56.435 56.400 -0.238 0.000 1.542 397 E CB -0.668 28.981 29.700 -0.085 0.000 1.369 397 E HN 0.756 nan 8.360 nan 0.000 0.493 398 F N -2.002 117.907 119.950 -0.069 0.000 2.678 398 F HA 0.468 4.990 4.527 -0.009 0.000 0.308 398 F C -0.819 174.998 175.800 0.029 0.000 1.118 398 F CA -1.338 56.674 58.000 0.020 0.000 0.959 398 F CB 0.825 39.808 39.000 -0.028 0.000 1.305 398 F HN -0.216 nan 8.300 nan 0.000 0.443 399 L N 2.206 123.611 121.223 0.302 0.000 2.488 399 L HA 0.361 4.696 4.340 -0.009 0.000 0.249 399 L C -0.023 176.984 176.870 0.227 0.000 1.151 399 L CA -1.213 53.683 54.840 0.093 0.000 0.806 399 L CB 0.637 42.613 42.059 -0.138 0.000 1.261 399 L HN 0.796 nan 8.230 nan 0.000 0.484 400 N N -0.012 118.662 118.700 -0.044 0.000 2.458 400 N HA 0.197 4.931 4.740 -0.009 0.000 0.270 400 N C -1.477 173.909 175.510 -0.206 0.000 1.102 400 N CA -0.055 53.014 53.050 0.031 0.000 0.967 400 N CB 0.772 39.257 38.487 -0.004 0.000 1.078 400 N HN 0.351 nan 8.380 nan 0.000 0.471 401 Y N -0.596 119.820 120.300 0.194 0.000 2.581 401 Y HA 0.272 4.817 4.550 -0.009 0.000 0.345 401 Y C -0.403 175.598 175.900 0.169 0.000 1.036 401 Y CA -1.119 57.078 58.100 0.162 0.000 1.042 401 Y CB 1.586 40.174 38.460 0.214 0.000 1.289 401 Y HN 0.376 nan 8.280 nan 0.000 0.471 402 D N 3.030 123.607 120.400 0.295 0.000 2.312 402 D HA 0.307 4.941 4.640 -0.009 0.000 0.252 402 D C -0.470 176.128 176.300 0.496 0.000 1.150 402 D CA 0.340 54.518 54.000 0.296 0.000 0.870 402 D CB 1.077 41.881 40.800 0.007 0.000 1.153 402 D HN 0.257 nan 8.370 nan 0.000 0.457 403 I N 1.907 122.709 120.570 0.387 0.000 2.474 403 I HA 0.401 4.566 4.170 -0.009 0.000 0.294 403 I C 0.001 176.078 176.117 -0.067 0.000 1.005 403 I CA -0.630 60.745 61.300 0.125 0.000 1.113 403 I CB 1.738 39.634 38.000 -0.174 0.000 1.289 403 I HN 0.213 nan 8.210 nan 0.000 0.436 404 M N 7.956 127.343 119.600 -0.356 0.000 2.326 404 M HA 0.681 5.155 4.480 -0.009 0.000 0.306 404 M C -1.668 174.434 176.300 -0.329 0.000 1.054 404 M CA -0.544 54.427 55.300 -0.547 0.000 0.922 404 M CB 2.180 34.057 32.600 -1.204 0.000 1.632 404 M HN 0.583 nan 8.290 nan 0.000 0.436 405 L N 1.637 122.694 121.223 -0.278 0.000 2.540 405 L HA 1.138 5.473 4.340 -0.009 0.000 0.256 405 L C -0.987 175.338 176.870 -0.909 0.000 1.001 405 L CA -0.718 53.905 54.840 -0.362 0.000 0.843 405 L CB 1.916 43.824 42.059 -0.252 0.000 1.436 405 L HN 0.764 nan 8.230 nan 0.000 0.410 406 G N 0.274 108.375 108.800 -1.164 0.000 2.550 406 G HA2 0.657 4.612 3.960 -0.009 0.000 0.293 406 G HA3 0.657 4.612 3.960 -0.009 0.000 0.293 406 G C -1.469 172.902 174.900 -0.882 0.000 1.402 406 G CA -0.041 43.924 45.100 -1.893 0.000 0.784 406 G HN 1.266 nan 8.290 nan 0.000 0.482 407 V N -2.364 117.199 119.914 -0.585 0.000 3.130 407 V HA 0.811 4.926 4.120 -0.009 0.000 0.310 407 V C -0.993 175.133 176.094 0.053 0.000 1.158 407 V CA -1.491 60.747 62.300 -0.103 0.000 1.029 407 V CB 1.917 33.782 31.823 0.070 0.000 1.057 407 V HN 0.635 nan 8.190 nan 0.000 0.436 408 N N 1.051 119.776 118.700 0.041 0.000 2.489 408 N HA 0.361 5.096 4.740 -0.009 0.000 0.284 408 N C 0.658 176.157 175.510 -0.019 0.000 1.158 408 N CA -0.438 52.644 53.050 0.053 0.000 0.965 408 N CB 1.540 40.009 38.487 -0.031 0.000 1.195 408 N HN 0.949 nan 8.380 nan 0.000 0.506 409 Q N 0.510 120.206 119.800 -0.174 0.000 2.084 409 Q HA -0.033 4.302 4.340 -0.009 0.000 0.202 409 Q C 0.254 176.165 176.000 -0.150 0.000 0.978 409 Q CA 1.374 56.958 55.803 -0.364 0.000 0.844 409 Q CB -0.081 28.088 28.738 -0.948 0.000 0.898 409 Q HN 0.771 nan 8.270 nan 0.000 0.426 410 G N -0.011 108.698 108.800 -0.153 0.000 4.828 410 G HA2 0.096 4.051 3.960 -0.009 0.000 0.294 410 G HA3 0.096 4.051 3.960 -0.009 0.000 0.294 410 G C 0.219 175.062 174.900 -0.096 0.000 1.288 410 G CA -0.381 44.677 45.100 -0.070 0.000 0.987 410 G HN 0.162 nan 8.290 nan 0.000 0.587 411 E N 1.035 121.111 120.200 -0.206 0.000 2.113 411 E HA -0.172 4.173 4.350 -0.009 0.000 0.210 411 E C 2.187 178.657 176.600 -0.217 0.000 1.040 411 E CA 1.595 57.715 56.400 -0.467 0.000 0.847 411 E CB -0.145 28.821 29.700 -1.223 0.000 0.755 411 E HN 0.400 nan 8.360 nan 0.000 0.459 412 G N 1.688 110.533 108.800 0.075 0.000 3.374 412 G HA2 0.047 4.002 3.960 -0.009 0.000 0.252 412 G HA3 0.047 4.002 3.960 -0.009 0.000 0.252 412 G C 1.205 176.271 174.900 0.277 0.000 1.326 412 G CA -0.324 45.021 45.100 0.409 0.000 1.133 412 G HN 0.088 nan 8.290 nan 0.000 0.528 413 L N -0.023 121.297 121.223 0.160 0.000 1.991 413 L HA -0.157 4.178 4.340 -0.009 0.000 0.221 413 L C 2.341 179.299 176.870 0.146 0.000 1.079 413 L CA 1.754 56.678 54.840 0.139 0.000 0.778 413 L CB -0.113 41.973 42.059 0.046 0.000 0.893 413 L HN 0.212 nan 8.230 nan 0.000 0.437 414 K N -0.764 119.715 120.400 0.133 0.000 2.442 414 K HA -0.186 4.129 4.320 -0.009 0.000 0.198 414 K C 1.815 178.469 176.600 0.090 0.000 1.042 414 K CA 0.931 57.280 56.287 0.104 0.000 0.958 414 K CB -0.552 32.010 32.500 0.103 0.000 0.766 414 K HN 0.420 nan 8.250 nan 0.000 0.474 415 F N 0.374 120.233 119.950 -0.153 0.000 2.325 415 F HA -0.154 4.368 4.527 -0.009 0.000 0.299 415 F C 1.533 177.214 175.800 -0.199 0.000 1.090 415 F CA 0.584 58.355 58.000 -0.381 0.000 1.392 415 F CB 0.494 38.951 39.000 -0.904 0.000 1.053 415 F HN -0.268 nan 8.300 nan 0.000 0.521 416 V N -1.005 118.815 119.914 -0.156 0.000 3.484 416 V HA -0.056 4.059 4.120 -0.009 0.000 0.252 416 V C 1.858 177.945 176.094 -0.012 0.000 1.282 416 V CA 0.497 62.682 62.300 -0.192 0.000 1.104 416 V CB 0.158 31.932 31.823 -0.082 0.000 0.868 416 V HN 0.172 nan 8.190 nan 0.000 0.457 417 E N 2.090 122.355 120.200 0.107 0.000 2.113 417 E HA -0.336 4.009 4.350 -0.009 0.000 0.210 417 E C 1.697 178.362 176.600 0.108 0.000 1.040 417 E CA 2.413 58.922 56.400 0.183 0.000 0.847 417 E CB -0.153 29.612 29.700 0.109 0.000 0.755 417 E HN 0.916 nan 8.360 nan 0.000 0.459 418 N N -0.600 118.118 118.700 0.030 0.000 2.461 418 N HA -0.038 4.697 4.740 -0.009 0.000 0.188 418 N C 1.186 176.683 175.510 -0.022 0.000 1.134 418 N CA 0.138 53.194 53.050 0.010 0.000 0.878 418 N CB 0.274 38.761 38.487 -0.000 0.000 0.972 418 N HN 0.103 nan 8.380 nan 0.000 0.456 419 I N 0.436 120.973 120.570 -0.055 0.000 3.883 419 I HA 0.167 4.332 4.170 -0.009 0.000 0.326 419 I C 0.883 176.961 176.117 -0.065 0.000 1.283 419 I CA -0.154 61.095 61.300 -0.086 0.000 1.161 419 I CB -0.692 37.211 38.000 -0.162 0.000 1.012 419 I HN 0.089 nan 8.210 nan 0.000 0.421 420 V N 3.078 122.974 119.914 -0.031 0.000 3.264 420 V HA 0.117 4.232 4.120 -0.009 0.000 0.304 420 V C -0.012 176.075 176.094 -0.012 0.000 1.086 420 V CA -0.069 62.207 62.300 -0.040 0.000 1.090 420 V CB 1.585 33.411 31.823 0.005 0.000 1.112 420 V HN 0.520 nan 8.190 nan 0.000 0.472 421 D N 1.332 121.717 120.400 -0.024 0.000 2.739 421 D HA 0.196 4.831 4.640 -0.009 0.000 0.335 421 D C 0.614 176.917 176.300 0.005 0.000 1.216 421 D CA 0.355 54.349 54.000 -0.009 0.000 0.808 421 D CB 0.309 41.095 40.800 -0.023 0.000 1.121 421 D HN 0.825 nan 8.370 nan 0.000 0.499 422 S N 0.145 115.867 115.700 0.036 0.000 2.626 422 S HA -0.432 4.032 4.470 -0.009 0.000 0.264 422 S C 0.626 175.248 174.600 0.038 0.000 1.330 422 S CA 1.942 60.171 58.200 0.048 0.000 1.506 422 S CB -1.946 61.273 63.200 0.032 0.000 1.952 422 S HN 0.426 nan 8.310 nan 0.000 0.723 423 D N 1.826 122.230 120.400 0.007 0.000 2.349 423 D HA 0.317 4.951 4.640 -0.009 0.000 0.214 423 D C 0.026 176.297 176.300 -0.049 0.000 1.063 423 D CA 0.493 54.487 54.000 -0.010 0.000 0.847 423 D CB 0.065 40.852 40.800 -0.022 0.000 0.933 423 D HN 0.497 nan 8.370 nan 0.000 0.513 424 D N -0.551 119.808 120.400 -0.069 0.000 2.981 424 D HA -0.115 4.520 4.640 -0.009 0.000 0.223 424 D C 0.394 176.472 176.300 -0.370 0.000 1.151 424 D CA 1.303 55.147 54.000 -0.260 0.000 0.827 424 D CB -1.335 39.320 40.800 -0.242 0.000 1.101 424 D HN 0.400 nan 8.370 nan 0.000 0.426 425 G N -1.621 107.044 108.800 -0.225 0.000 2.658 425 G HA2 0.693 4.648 3.960 -0.009 0.000 0.292 425 G HA3 0.693 4.648 3.960 -0.009 0.000 0.292 425 G C -0.975 173.838 174.900 -0.144 0.000 1.320 425 G CA -0.600 44.383 45.100 -0.194 0.000 0.933 425 G HN 0.140 nan 8.290 nan 0.000 0.476 426 V N 0.800 120.647 119.914 -0.111 0.000 2.540 426 V HA 0.501 4.616 4.120 -0.009 0.000 0.302 426 V C 0.488 176.572 176.094 -0.017 0.000 1.035 426 V CA -0.838 61.430 62.300 -0.053 0.000 0.873 426 V CB 1.630 33.441 31.823 -0.020 0.000 0.992 426 V HN 1.050 nan 8.190 nan 0.000 0.428 427 S N 3.433 119.139 115.700 0.010 0.000 2.579 427 S HA 0.380 4.845 4.470 -0.009 0.000 0.275 427 S C 1.346 175.987 174.600 0.069 0.000 1.345 427 S CA 0.111 58.329 58.200 0.030 0.000 1.031 427 S CB 1.393 64.618 63.200 0.041 0.000 0.892 427 S HN 1.177 nan 8.310 nan 0.000 0.529 428 A N 1.629 124.473 122.820 0.041 0.000 2.070 428 A HA -0.030 4.285 4.320 -0.009 0.000 0.220 428 A C 2.345 180.019 177.584 0.151 0.000 1.159 428 A CA 1.579 53.641 52.037 0.041 0.000 0.656 428 A CB -1.185 17.808 19.000 -0.011 0.000 0.800 428 A HN 0.948 nan 8.150 nan 0.000 0.453 429 S N 0.158 115.955 115.700 0.161 0.000 2.338 429 S HA -0.171 4.293 4.470 -0.009 0.000 0.218 429 S C 1.656 176.483 174.600 0.378 0.000 1.032 429 S CA 1.555 59.902 58.200 0.246 0.000 0.999 429 S CB -0.478 62.845 63.200 0.205 0.000 0.905 429 S HN 0.543 nan 8.310 nan 0.000 0.439 430 D N 0.434 120.986 120.400 0.253 0.000 2.149 430 D HA -0.081 4.554 4.640 -0.009 0.000 0.198 430 D C 1.558 177.996 176.300 0.231 0.000 0.990 430 D CA 0.904 55.026 54.000 0.203 0.000 0.839 430 D CB -0.560 40.271 40.800 0.052 0.000 0.948 430 D HN 0.476 nan 8.370 nan 0.000 0.460 431 F N 1.942 121.935 119.950 0.072 0.000 2.026 431 F HA -0.246 4.275 4.527 -0.009 0.000 0.296 431 F C 1.902 177.749 175.800 0.079 0.000 1.133 431 F CA 1.776 59.798 58.000 0.037 0.000 1.188 431 F CB -0.216 38.782 39.000 -0.004 0.000 0.968 431 F HN -0.196 nan 8.300 nan 0.000 0.476 432 D N 0.038 120.620 120.400 0.302 0.000 2.133 432 D HA -0.245 4.390 4.640 -0.009 0.000 0.192 432 D C 2.188 178.489 176.300 0.002 0.000 1.001 432 D CA 1.919 55.992 54.000 0.120 0.000 0.844 432 D CB -0.745 40.082 40.800 0.044 0.000 0.944 432 D HN 0.301 nan 8.370 nan 0.000 0.447 433 F N 1.133 121.110 119.950 0.045 0.000 2.026 433 F HA -0.220 4.303 4.527 -0.008 0.000 0.296 433 F C 2.579 178.390 175.800 0.019 0.000 1.133 433 F CA 1.431 59.452 58.000 0.035 0.000 1.188 433 F CB -0.805 38.210 39.000 0.026 0.000 0.968 433 F HN -0.064 nan 8.300 nan 0.000 0.476 434 A N 0.021 122.935 122.820 0.157 0.000 1.896 434 A HA -0.245 4.070 4.320 -0.009 0.000 0.220 434 A C 2.297 179.948 177.584 0.112 0.000 1.206 434 A CA 2.642 54.704 52.037 0.041 0.000 0.647 434 A CB -1.426 17.444 19.000 -0.217 0.000 0.828 434 A HN 0.225 nan 8.150 nan 0.000 0.455 435 V N -0.396 119.482 119.914 -0.059 0.000 2.427 435 V HA -0.175 3.940 4.120 -0.009 0.000 0.248 435 V C 2.812 178.995 176.094 0.148 0.000 1.051 435 V CA 2.233 64.540 62.300 0.012 0.000 1.048 435 V CB -0.676 31.049 31.823 -0.163 0.000 0.666 435 V HN 0.739 nan 8.190 nan 0.000 0.456 436 S N 0.889 116.647 115.700 0.097 0.000 2.355 436 S HA -0.218 4.246 4.470 -0.009 0.000 0.222 436 S C 1.767 176.458 174.600 0.151 0.000 1.031 436 S CA 2.155 60.410 58.200 0.092 0.000 0.993 436 S CB -0.578 62.627 63.200 0.008 0.000 0.859 436 S HN 0.786 nan 8.310 nan 0.000 0.453 437 N N 0.081 118.906 118.700 0.208 0.000 2.084 437 N HA -0.061 4.674 4.740 -0.009 0.000 0.190 437 N C 1.647 177.347 175.510 0.316 0.000 1.030 437 N CA 1.493 54.693 53.050 0.250 0.000 0.849 437 N CB -0.439 38.221 38.487 0.289 0.000 1.012 437 N HN 0.478 nan 8.380 nan 0.000 0.423 438 F N 2.078 122.157 119.950 0.216 0.000 2.043 438 F HA -0.250 4.271 4.527 -0.009 0.000 0.297 438 F C 2.121 178.001 175.800 0.133 0.000 1.121 438 F CA 1.193 59.307 58.000 0.191 0.000 1.199 438 F CB -0.225 38.838 39.000 0.105 0.000 0.968 438 F HN -0.206 nan 8.300 nan 0.000 0.478 439 V N 0.402 120.368 119.914 0.086 0.000 2.407 439 V HA -0.308 3.807 4.120 -0.009 0.000 0.248 439 V C 1.849 177.984 176.094 0.068 0.000 1.055 439 V CA 2.116 64.447 62.300 0.052 0.000 1.049 439 V CB -0.775 31.116 31.823 0.115 0.000 0.662 439 V HN 0.335 nan 8.190 nan 0.000 0.455 440 D N 0.468 120.913 120.400 0.075 0.000 2.092 440 D HA -0.158 4.477 4.640 -0.009 0.000 0.193 440 D C 2.044 178.361 176.300 0.027 0.000 0.994 440 D CA 1.812 55.849 54.000 0.063 0.000 0.828 440 D CB -0.464 40.388 40.800 0.087 0.000 0.963 440 D HN 0.547 nan 8.370 nan 0.000 0.450 441 N N -0.331 118.392 118.700 0.039 0.000 2.069 441 N HA -0.110 4.624 4.740 -0.009 0.000 0.191 441 N C 1.495 176.978 175.510 -0.044 0.000 1.031 441 N CA 0.681 53.753 53.050 0.037 0.000 0.852 441 N CB 0.018 38.602 38.487 0.162 0.000 1.018 441 N HN 0.070 nan 8.380 nan 0.000 0.423 442 L N -1.049 120.032 121.223 -0.237 0.000 2.270 442 L HA -0.002 4.332 4.340 -0.009 0.000 0.210 442 L C 0.825 177.303 176.870 -0.653 0.000 1.104 442 L CA 1.568 56.096 54.840 -0.520 0.000 0.804 442 L CB -0.568 40.913 42.059 -0.964 0.000 0.937 442 L HN 0.331 nan 8.230 nan 0.000 0.450 443 Y N -1.556 118.652 120.300 -0.154 0.000 2.494 443 Y HA 0.413 4.958 4.550 -0.008 0.000 0.271 443 Y C 1.625 177.394 175.900 -0.219 0.000 1.113 443 Y CA 0.416 58.439 58.100 -0.128 0.000 1.240 443 Y CB 0.665 39.112 38.460 -0.021 0.000 1.268 443 Y HN 0.148 nan 8.280 nan 0.000 0.510 444 G N 0.377 109.144 108.800 -0.055 0.000 2.785 444 G HA2 -0.216 3.739 3.960 -0.009 0.000 0.218 444 G HA3 -0.216 3.739 3.960 -0.009 0.000 0.218 444 G C -0.827 174.018 174.900 -0.092 0.000 1.251 444 G CA -0.284 44.722 45.100 -0.155 0.000 1.129 444 G HN 0.213 nan 8.290 nan 0.000 0.573 451 V N -0.152 119.753 119.914 -0.014 0.000 2.548 451 V HA -0.066 4.049 4.120 -0.009 0.000 0.249 451 V C 2.171 178.232 176.094 -0.054 0.000 1.055 451 V CA 1.153 63.433 62.300 -0.033 0.000 1.065 451 V CB -0.427 31.370 31.823 -0.042 0.000 0.681 451 V HN 0.128 nan 8.190 nan 0.000 0.462 452 L N 0.747 121.921 121.223 -0.082 0.000 2.072 452 L HA 0.088 4.423 4.340 -0.009 0.000 0.205 452 L C 2.733 179.561 176.870 -0.070 0.000 1.079 452 L CA 2.271 57.029 54.840 -0.136 0.000 0.752 452 L CB -0.892 41.029 42.059 -0.231 0.000 0.906 452 L HN 0.321 nan 8.230 nan 0.000 0.436 453 R N -0.701 119.786 120.500 -0.022 0.000 2.091 453 R HA -0.159 4.176 4.340 -0.009 0.000 0.238 453 R C 2.122 178.462 176.300 0.068 0.000 1.136 453 R CA 1.524 57.643 56.100 0.032 0.000 0.959 453 R CB -0.065 30.258 30.300 0.039 0.000 0.856 453 R HN 0.384 nan 8.270 nan 0.000 0.437 454 E N -0.501 119.733 120.200 0.056 0.000 2.072 454 E HA -0.100 4.245 4.350 -0.009 0.000 0.190 454 E C 1.950 178.635 176.600 0.142 0.000 0.982 454 E CA 1.586 58.044 56.400 0.095 0.000 0.803 454 E CB -0.219 29.512 29.700 0.051 0.000 0.755 454 E HN 0.359 nan 8.360 nan 0.000 0.453 455 T N 1.604 116.203 114.554 0.075 0.000 2.821 455 T HA -0.053 4.292 4.350 -0.009 0.000 0.267 455 T C 2.122 176.928 174.700 0.177 0.000 1.046 455 T CA 0.766 62.929 62.100 0.106 0.000 1.139 455 T CB -0.116 68.743 68.868 -0.016 0.000 0.871 455 T HN 0.096 nan 8.240 nan 0.000 0.454 456 I N 0.537 121.171 120.570 0.106 0.000 2.202 456 I HA -0.142 4.023 4.170 -0.009 0.000 0.242 456 I C 2.536 178.837 176.117 0.306 0.000 1.091 456 I CA 1.259 62.655 61.300 0.161 0.000 1.368 456 I CB -0.217 37.849 38.000 0.110 0.000 1.058 456 I HN 0.163 nan 8.210 nan 0.000 0.410 457 K N 0.360 120.930 120.400 0.283 0.000 2.063 457 K HA -0.236 4.079 4.320 -0.009 0.000 0.208 457 K C 2.085 178.914 176.600 0.382 0.000 1.048 457 K CA 1.866 58.373 56.287 0.367 0.000 0.928 457 K CB -0.350 32.343 32.500 0.322 0.000 0.713 457 K HN 0.208 nan 8.250 nan 0.000 0.442 458 F N 1.296 121.409 119.950 0.272 0.000 2.102 458 F HA -0.233 4.289 4.527 -0.008 0.000 0.298 458 F C 2.026 178.001 175.800 0.292 0.000 1.105 458 F CA 1.323 59.545 58.000 0.369 0.000 1.239 458 F CB -0.017 39.144 39.000 0.268 0.000 0.991 458 F HN -0.080 nan 8.300 nan 0.000 0.474 459 M N -0.824 118.822 119.600 0.076 0.000 2.213 459 M HA -0.189 4.286 4.480 -0.009 0.000 0.263 459 M C 0.871 176.993 176.300 -0.297 0.000 1.062 459 M CA 1.482 56.676 55.300 -0.176 0.000 1.105 459 M CB -1.406 31.171 32.600 -0.039 0.000 1.385 459 M HN 0.236 nan 8.290 nan 0.000 0.417 460 Y N -0.056 120.225 120.300 -0.031 0.000 2.746 460 Y HA 0.226 4.771 4.550 -0.008 0.000 0.312 460 Y C 0.207 176.060 175.900 -0.079 0.000 1.117 460 Y CA -0.245 57.874 58.100 0.032 0.000 1.324 460 Y CB 0.040 38.626 38.460 0.210 0.000 1.173 460 Y HN -0.078 nan 8.280 nan 0.000 0.529 461 T N 0.180 114.533 114.554 -0.336 0.000 2.807 461 T HA 0.094 4.439 4.350 -0.009 0.000 0.279 461 T C -0.937 173.225 174.700 -0.897 0.000 0.993 461 T CA -0.724 60.907 62.100 -0.781 0.000 0.970 461 T CB 1.036 69.122 68.868 -1.303 0.000 0.950 461 T HN 0.026 nan 8.240 nan 0.000 0.441 462 D N 2.701 122.705 120.400 -0.659 0.000 2.402 462 D HA 0.110 4.745 4.640 -0.009 0.000 0.235 462 D C -0.606 175.425 176.300 -0.448 0.000 1.226 462 D CA -0.668 53.064 54.000 -0.446 0.000 0.918 462 D CB 0.275 40.922 40.800 -0.256 0.000 1.043 462 D HN 0.500 nan 8.370 nan 0.000 0.506 463 W N 3.910 125.121 121.300 -0.148 0.000 1.564 463 W HA 0.428 5.085 4.660 -0.006 0.000 0.480 463 W C 0.865 177.343 176.519 -0.067 0.000 0.699 463 W CA -0.598 56.685 57.345 -0.104 0.000 1.985 463 W CB 0.166 29.580 29.460 -0.077 0.000 1.738 463 W HN 0.527 nan 8.180 nan 0.000 0.218 464 A N 0.929 123.792 122.820 0.072 0.000 1.633 464 A HA 0.066 4.381 4.320 -0.009 0.000 0.212 464 A C -0.122 177.485 177.584 0.039 0.000 1.823 464 A CA 0.027 52.099 52.037 0.058 0.000 1.343 464 A CB 0.220 19.235 19.000 0.025 0.000 1.309 464 A HN 0.189 nan 8.150 nan 0.000 0.404 465 D N 0.405 120.798 120.400 -0.011 0.000 2.363 465 D HA 0.277 4.911 4.640 -0.009 0.000 0.258 465 D C 0.176 176.410 176.300 -0.110 0.000 1.259 465 D CA -0.452 53.545 54.000 -0.005 0.000 0.921 465 D CB 0.222 41.027 40.800 0.008 0.000 1.201 465 D HN 0.478 nan 8.370 nan 0.000 0.524 466 R N 0.157 120.540 120.500 -0.195 0.000 2.323 466 R HA 0.115 4.450 4.340 -0.009 0.000 0.198 466 R C -0.074 175.934 176.300 -0.486 0.000 0.988 466 R CA 0.650 56.495 56.100 -0.424 0.000 1.041 466 R CB -0.466 29.538 30.300 -0.494 0.000 0.926 466 R HN 0.320 nan 8.270 nan 0.000 0.476 467 H N -1.002 118.001 119.070 -0.112 0.000 2.750 467 H HA 0.176 4.727 4.556 -0.009 0.000 0.263 467 H C -0.040 175.231 175.328 -0.094 0.000 0.964 467 H CA -0.411 55.584 56.048 -0.089 0.000 1.205 467 H CB 0.272 30.006 29.762 -0.046 0.000 1.454 467 H HN 0.113 nan 8.280 nan 0.000 0.503 468 N N 3.283 121.974 118.700 -0.015 0.000 2.423 468 N HA -0.046 4.689 4.740 -0.009 0.000 0.275 468 N C -1.729 173.726 175.510 -0.092 0.000 1.283 468 N CA -1.208 51.813 53.050 -0.047 0.000 0.932 468 N CB 0.905 39.356 38.487 -0.060 0.000 1.185 468 N HN 0.220 nan 8.380 nan 0.000 0.483 469 P HA -0.007 nan 4.420 nan 0.000 0.231 469 P C 0.537 177.762 177.300 -0.125 0.000 1.168 469 P CA 0.817 63.860 63.100 -0.095 0.000 0.779 469 P CB 0.604 32.264 31.700 -0.067 0.000 0.844 470 E N -0.155 119.971 120.200 -0.123 0.000 2.046 470 E HA -0.080 4.264 4.350 -0.009 0.000 0.190 470 E C 1.926 178.443 176.600 -0.139 0.000 0.982 470 E CA 1.384 57.690 56.400 -0.157 0.000 0.800 470 E CB -0.626 29.005 29.700 -0.116 0.000 0.756 470 E HN 0.149 nan 8.360 nan 0.000 0.449 471 T N 0.982 115.471 114.554 -0.109 0.000 2.720 471 T HA -0.170 4.175 4.350 -0.009 0.000 0.268 471 T C 1.797 176.430 174.700 -0.112 0.000 1.037 471 T CA 1.079 63.119 62.100 -0.101 0.000 1.144 471 T CB -0.151 68.648 68.868 -0.115 0.000 0.864 471 T HN 0.108 nan 8.240 nan 0.000 0.444 472 R N 0.641 121.049 120.500 -0.153 0.000 2.105 472 R HA -0.133 4.201 4.340 -0.009 0.000 0.239 472 R C 2.685 178.996 176.300 0.019 0.000 1.135 472 R CA 1.704 57.714 56.100 -0.151 0.000 0.967 472 R CB -0.222 29.959 30.300 -0.199 0.000 0.861 472 R HN 0.515 nan 8.270 nan 0.000 0.442 473 R N 0.888 121.349 120.500 -0.066 0.000 2.090 473 R HA -0.048 4.287 4.340 -0.009 0.000 0.228 473 R C 1.727 178.006 176.300 -0.035 0.000 1.110 473 R CA 1.260 57.304 56.100 -0.094 0.000 0.973 473 R CB -0.157 29.966 30.300 -0.294 0.000 0.869 473 R HN 0.009 nan 8.270 nan 0.000 0.440 474 K N 0.746 121.127 120.400 -0.033 0.000 1.991 474 K HA -0.144 4.171 4.320 -0.009 0.000 0.212 474 K C 2.331 179.004 176.600 0.122 0.000 1.049 474 K CA 2.531 58.843 56.287 0.041 0.000 0.932 474 K CB -0.438 32.079 32.500 0.028 0.000 0.717 474 K HN 0.492 nan 8.250 nan 0.000 0.441 475 T N 0.201 114.842 114.554 0.145 0.000 2.915 475 T HA -0.069 4.276 4.350 -0.009 0.000 0.269 475 T C 1.820 176.737 174.700 0.361 0.000 1.071 475 T CA 0.638 62.904 62.100 0.278 0.000 1.132 475 T CB -0.186 68.828 68.868 0.244 0.000 0.878 475 T HN 0.067 nan 8.240 nan 0.000 0.479 476 L N 0.169 121.575 121.223 0.305 0.000 2.027 476 L HA 0.139 4.474 4.340 -0.009 0.000 0.206 476 L C 2.578 179.546 176.870 0.163 0.000 1.074 476 L CA 1.448 56.387 54.840 0.165 0.000 0.745 476 L CB -0.689 41.419 42.059 0.080 0.000 0.898 476 L HN 0.365 nan 8.230 nan 0.000 0.433 477 L N -0.099 121.228 121.223 0.172 0.000 2.042 477 L HA -0.223 4.112 4.340 -0.009 0.000 0.210 477 L C 2.648 179.669 176.870 0.252 0.000 1.076 477 L CA 1.539 56.519 54.840 0.233 0.000 0.749 477 L CB -0.294 41.883 42.059 0.197 0.000 0.893 477 L HN 0.310 nan 8.230 nan 0.000 0.432 478 A N -0.502 122.464 122.820 0.243 0.000 1.972 478 A HA -0.231 4.084 4.320 -0.009 0.000 0.219 478 A C 2.118 179.875 177.584 0.288 0.000 1.169 478 A CA 1.674 53.884 52.037 0.288 0.000 0.635 478 A CB -0.716 18.487 19.000 0.339 0.000 0.810 478 A HN 0.485 nan 8.150 nan 0.000 0.446 479 L N -1.772 119.509 121.223 0.097 0.000 2.012 479 L HA -0.104 4.231 4.340 -0.009 0.000 0.210 479 L C 2.163 178.891 176.870 -0.237 0.000 1.073 479 L CA 2.298 56.929 54.840 -0.349 0.000 0.748 479 L CB -0.694 40.987 42.059 -0.629 0.000 0.891 479 L HN 0.355 nan 8.230 nan 0.000 0.431 480 F N 0.019 119.724 119.950 -0.408 0.000 2.163 480 F HA -0.148 4.374 4.527 -0.009 0.000 0.297 480 F C 2.342 178.093 175.800 -0.082 0.000 1.094 480 F CA 1.928 59.574 58.000 -0.590 0.000 1.290 480 F CB -0.649 37.897 39.000 -0.757 0.000 1.017 480 F HN 0.084 nan 8.300 nan 0.000 0.483 481 T N -0.231 114.496 114.554 0.287 0.000 2.708 481 T HA -0.192 4.153 4.350 -0.009 0.000 0.266 481 T C 1.436 176.335 174.700 0.331 0.000 1.037 481 T CA 1.738 64.101 62.100 0.439 0.000 1.146 481 T CB -0.402 68.616 68.868 0.250 0.000 0.865 481 T HN 0.170 nan 8.240 nan 0.000 0.435 482 D N -0.071 120.445 120.400 0.194 0.000 2.117 482 D HA -0.097 4.538 4.640 -0.009 0.000 0.197 482 D C 1.901 178.123 176.300 -0.131 0.000 0.987 482 D CA 0.988 55.087 54.000 0.164 0.000 0.829 482 D CB -0.360 40.679 40.800 0.400 0.000 0.961 482 D HN 0.463 nan 8.370 nan 0.000 0.460 483 H N 0.194 118.961 119.070 -0.505 0.000 2.317 483 H HA 0.032 4.583 4.556 -0.009 0.000 0.304 483 H C 1.620 176.476 175.328 -0.786 0.000 1.067 483 H CA 0.975 56.481 56.048 -0.905 0.000 1.352 483 H CB 0.524 29.699 29.762 -0.979 0.000 1.398 483 H HN 0.029 nan 8.280 nan 0.000 0.510 484 Q N -0.649 118.618 119.800 -0.889 0.000 2.311 484 Q HA -0.081 4.253 4.340 -0.009 0.000 0.203 484 Q C 1.151 176.440 176.000 -1.185 0.000 0.954 484 Q CA 0.891 55.876 55.803 -1.364 0.000 0.885 484 Q CB 0.179 27.697 28.738 -2.033 0.000 0.963 484 Q HN 0.607 nan 8.270 nan 0.000 0.471 485 W N -1.928 119.195 121.300 -0.295 0.000 4.654 485 W HA 0.142 4.796 4.660 -0.009 0.000 0.196 485 W C 1.941 178.433 176.519 -0.045 0.000 0.957 485 W CA -0.211 57.061 57.345 -0.123 0.000 2.022 485 W CB -0.604 28.833 29.460 -0.039 0.000 0.791 485 W HN -0.273 nan 8.180 nan 0.000 0.953 486 V N 1.767 121.849 119.914 0.279 0.000 2.295 486 V HA -0.268 3.847 4.120 -0.009 0.000 0.246 486 V C 2.352 178.548 176.094 0.170 0.000 1.049 486 V CA 2.621 65.091 62.300 0.282 0.000 1.024 486 V CB -1.679 30.333 31.823 0.315 0.000 0.648 486 V HN 0.230 nan 8.190 nan 0.000 0.447 487 A N 0.609 123.458 122.820 0.048 0.000 1.855 487 A HA -0.079 4.236 4.320 -0.009 0.000 0.215 487 A C 0.634 178.212 177.584 -0.011 0.000 1.191 487 A CA 1.918 53.970 52.037 0.026 0.000 0.613 487 A CB -1.938 17.042 19.000 -0.033 0.000 0.829 487 A HN 0.534 nan 8.150 nan 0.000 0.442 488 P HA -0.174 nan 4.420 nan 0.000 0.216 488 P C 1.743 179.046 177.300 0.006 0.000 1.153 488 P CA 2.137 65.185 63.100 -0.087 0.000 0.858 488 P CB -0.150 31.443 31.700 -0.178 0.000 0.789 489 A N -0.742 122.122 122.820 0.072 0.000 1.902 489 A HA -0.164 4.151 4.320 -0.009 0.000 0.217 489 A C 2.375 180.055 177.584 0.160 0.000 1.181 489 A CA 1.899 54.031 52.037 0.158 0.000 0.623 489 A CB -1.703 17.458 19.000 0.267 0.000 0.818 489 A HN 0.035 nan 8.150 nan 0.000 0.443 490 V N -0.121 119.848 119.914 0.091 0.000 2.295 490 V HA -0.254 3.861 4.120 -0.009 0.000 0.246 490 V C 3.086 179.186 176.094 0.010 0.000 1.049 490 V CA 1.959 64.224 62.300 -0.059 0.000 1.024 490 V CB -1.288 30.519 31.823 -0.028 0.000 0.648 490 V HN 0.626 nan 8.190 nan 0.000 0.447 491 A N -0.352 122.496 122.820 0.046 0.000 1.917 491 A HA -0.278 4.036 4.320 -0.009 0.000 0.219 491 A C 2.392 180.024 177.584 0.080 0.000 1.182 491 A CA 2.760 54.836 52.037 0.066 0.000 0.633 491 A CB -1.051 17.977 19.000 0.047 0.000 0.819 491 A HN 0.519 nan 8.150 nan 0.000 0.448 492 T N 0.023 114.616 114.554 0.064 0.000 2.737 492 T HA 0.026 4.371 4.350 -0.009 0.000 0.265 492 T C 2.250 177.032 174.700 0.136 0.000 1.038 492 T CA 1.583 63.742 62.100 0.100 0.000 1.144 492 T CB -0.453 68.449 68.868 0.057 0.000 0.866 492 T HN 0.616 nan 8.240 nan 0.000 0.434 493 A N 1.861 124.689 122.820 0.015 0.000 1.877 493 A HA -0.154 4.161 4.320 -0.009 0.000 0.216 493 A C 2.115 179.767 177.584 0.113 0.000 1.186 493 A CA 1.803 53.775 52.037 -0.109 0.000 0.620 493 A CB -0.800 17.811 19.000 -0.649 0.000 0.822 493 A HN 0.327 nan 8.150 nan 0.000 0.443 494 D N -0.070 120.434 120.400 0.174 0.000 2.133 494 D HA -0.151 4.484 4.640 -0.009 0.000 0.195 494 D C 1.854 178.289 176.300 0.225 0.000 0.997 494 D CA 1.262 55.411 54.000 0.248 0.000 0.840 494 D CB -0.221 40.682 40.800 0.172 0.000 0.947 494 D HN 0.471 nan 8.370 nan 0.000 0.452 495 L N -0.988 120.378 121.223 0.239 0.000 2.162 495 L HA -0.057 4.278 4.340 -0.009 0.000 0.205 495 L C 2.223 179.376 176.870 0.471 0.000 1.086 495 L CA 0.615 55.658 54.840 0.338 0.000 0.778 495 L CB -0.242 41.992 42.059 0.293 0.000 0.928 495 L HN 0.080 nan 8.230 nan 0.000 0.446 496 H N -0.219 119.009 119.070 0.263 0.000 2.293 496 H HA -0.155 4.396 4.556 -0.009 0.000 0.300 496 H C 2.606 178.136 175.328 0.337 0.000 1.082 496 H CA 2.092 58.316 56.048 0.293 0.000 1.308 496 H CB -0.010 29.795 29.762 0.073 0.000 1.375 496 H HN 0.321 nan 8.280 nan 0.000 0.495 497 S N 0.333 116.247 115.700 0.357 0.000 2.368 497 S HA -0.256 4.208 4.470 -0.009 0.000 0.225 497 S C 2.075 176.771 174.600 0.161 0.000 1.030 497 S CA 1.514 59.861 58.200 0.245 0.000 0.999 497 S CB -0.539 62.821 63.200 0.266 0.000 0.844 497 S HN 0.484 nan 8.310 nan 0.000 0.459 498 N N 1.316 120.087 118.700 0.119 0.000 2.137 498 N HA -0.098 4.637 4.740 -0.009 0.000 0.190 498 N C 0.768 176.134 175.510 -0.241 0.000 1.017 498 N CA 1.464 54.449 53.050 -0.108 0.000 0.859 498 N CB -0.612 37.733 38.487 -0.237 0.000 1.002 498 N HN 0.565 nan 8.380 nan 0.000 0.428 499 F N -1.240 118.798 119.950 0.147 0.000 2.645 499 F HA 0.370 4.892 4.527 -0.008 0.000 0.300 499 F C 1.711 177.563 175.800 0.086 0.000 1.115 499 F CA 0.256 58.301 58.000 0.075 0.000 1.355 499 F CB 0.542 39.531 39.000 -0.019 0.000 1.026 499 F HN 0.173 nan 8.300 nan 0.000 0.536 500 G N -0.505 108.420 108.800 0.209 0.000 2.195 500 G HA2 -0.257 3.698 3.960 -0.009 0.000 0.224 500 G HA3 -0.257 3.698 3.960 -0.009 0.000 0.224 500 G C 0.322 175.326 174.900 0.173 0.000 0.990 500 G CA -0.078 45.112 45.100 0.150 0.000 0.639 500 G HN 0.183 nan 8.290 nan 0.000 0.514 501 S N 2.911 118.772 115.700 0.268 0.000 2.510 501 S HA 0.466 4.931 4.470 -0.009 0.000 0.279 501 S C -2.115 172.591 174.600 0.177 0.000 1.284 501 S CA -0.527 57.837 58.200 0.274 0.000 1.059 501 S CB 1.269 64.740 63.200 0.452 0.000 0.901 501 S HN 0.233 nan 8.310 nan 0.000 0.491 502 P HA 0.094 nan 4.420 nan 0.000 0.262 502 P C -0.733 176.545 177.300 -0.037 0.000 1.199 502 P CA 0.264 63.376 63.100 0.021 0.000 0.763 502 P CB 0.210 31.971 31.700 0.103 0.000 0.790 503 T N 4.064 118.475 114.554 -0.238 0.000 2.824 503 T HA 0.483 4.828 4.350 -0.009 0.000 0.282 503 T C -0.881 173.528 174.700 -0.485 0.000 0.993 503 T CA -0.243 61.736 62.100 -0.203 0.000 0.967 503 T CB 0.527 69.406 68.868 0.017 0.000 0.960 503 T HN 0.110 nan 8.240 nan 0.000 0.441 504 Y N 1.718 121.933 120.300 -0.141 0.000 2.361 504 Y HA 0.650 5.195 4.550 -0.008 0.000 0.337 504 Y C -0.667 175.247 175.900 0.024 0.000 0.965 504 Y CA -1.219 56.712 58.100 -0.283 0.000 1.091 504 Y CB 1.578 39.382 38.460 -1.092 0.000 1.182 504 Y HN 0.653 nan 8.280 nan 0.000 0.450 505 F N 5.191 125.418 119.950 0.462 0.000 2.507 505 F HA 0.588 5.110 4.527 -0.008 0.000 0.325 505 F C -1.226 174.973 175.800 0.664 0.000 1.116 505 F CA -1.236 56.968 58.000 0.340 0.000 0.930 505 F CB 0.973 40.005 39.000 0.052 0.000 1.146 505 F HN 0.447 nan 8.300 nan 0.000 0.447 506 Y N 3.068 123.355 120.300 -0.022 0.000 2.570 506 Y HA 0.899 5.444 4.550 -0.008 0.000 0.345 506 Y C -1.537 174.233 175.900 -0.216 0.000 1.014 506 Y CA -1.927 56.143 58.100 -0.050 0.000 1.063 506 Y CB 1.209 39.603 38.460 -0.110 0.000 1.272 506 Y HN 0.725 nan 8.280 nan 0.000 0.477 507 A N 3.112 126.024 122.820 0.154 0.000 2.335 507 A HA 0.600 4.914 4.320 -0.009 0.000 0.304 507 A C -1.995 175.767 177.584 0.298 0.000 1.118 507 A CA -0.542 51.512 52.037 0.028 0.000 0.757 507 A CB 0.188 18.951 19.000 -0.395 0.000 1.188 507 A HN 0.764 nan 8.150 nan 0.000 0.460 508 F N 2.487 122.583 119.950 0.245 0.000 2.424 508 F HA 0.470 4.991 4.527 -0.009 0.000 0.356 508 F C -0.101 175.777 175.800 0.130 0.000 1.110 508 F CA 0.519 58.596 58.000 0.129 0.000 1.161 508 F CB 0.835 39.883 39.000 0.080 0.000 1.115 508 F HN 0.653 nan 8.300 nan 0.000 0.507 509 Y N 3.690 123.756 120.300 -0.389 0.000 2.719 509 Y HA 0.202 4.746 4.550 -0.009 0.000 0.251 509 Y C -0.464 175.380 175.900 -0.094 0.000 1.159 509 Y CA -0.508 57.468 58.100 -0.207 0.000 1.166 509 Y CB -0.228 38.045 38.460 -0.312 0.000 1.219 509 Y HN 0.597 nan 8.280 nan 0.000 0.551 510 H N -0.130 118.802 119.070 -0.231 0.000 2.961 510 H HA 0.577 5.127 4.556 -0.009 0.000 0.371 510 H C -0.908 174.474 175.328 0.090 0.000 1.190 510 H CA -0.794 55.210 56.048 -0.073 0.000 1.138 510 H CB 1.334 30.984 29.762 -0.188 0.000 1.816 510 H HN 0.287 nan 8.280 nan 0.000 0.551 511 H N -0.067 118.582 119.070 -0.701 0.000 2.918 511 H HA 0.424 4.975 4.556 -0.009 0.000 0.303 511 H C -1.401 173.781 175.328 -0.244 0.000 1.380 511 H CA -1.205 54.711 56.048 -0.219 0.000 1.134 511 H CB 0.749 30.494 29.762 -0.028 0.000 1.842 511 H HN 0.658 nan 8.280 nan 0.000 0.533 512 c N 3.225 121.789 118.600 -0.060 0.000 2.239 512 c HA 0.295 4.860 4.570 -0.009 0.000 0.325 512 c C -0.027 173.849 174.090 -0.358 0.000 1.231 512 c CA -0.308 55.878 56.329 -0.237 0.000 1.652 512 c CB -0.802 41.572 42.510 -0.226 0.000 2.284 512 c HN 0.776 nan 8.230 nan 0.000 0.499 513 Q N 4.948 124.451 119.800 -0.496 0.000 2.304 513 Q HA 0.494 4.829 4.340 -0.009 0.000 0.260 513 Q C -0.006 175.871 176.000 -0.205 0.000 0.965 513 Q CA 0.088 55.685 55.803 -0.343 0.000 0.898 513 Q CB 0.675 29.220 28.738 -0.321 0.000 1.196 513 Q HN 0.699 nan 8.270 nan 0.000 0.402 514 T N 0.651 115.124 114.554 -0.136 0.000 2.923 514 T HA 0.093 4.438 4.350 -0.009 0.000 0.281 514 T C 0.700 175.340 174.700 -0.101 0.000 0.995 514 T CA -0.420 61.610 62.100 -0.118 0.000 0.985 514 T CB 0.831 69.648 68.868 -0.084 0.000 1.114 514 T HN 0.798 nan 8.240 nan 0.000 0.548 515 D N -0.171 120.177 120.400 -0.086 0.000 2.317 515 D HA -0.117 4.518 4.640 -0.009 0.000 0.211 515 D C 1.386 177.644 176.300 -0.070 0.000 0.966 515 D CA 0.667 54.623 54.000 -0.073 0.000 0.876 515 D CB -0.007 40.758 40.800 -0.059 0.000 0.927 515 D HN 0.258 nan 8.370 nan 0.000 0.519 516 Q N 0.456 120.216 119.800 -0.066 0.000 2.436 516 Q HA 0.056 4.391 4.340 -0.009 0.000 0.209 516 Q C 0.701 176.656 176.000 -0.074 0.000 0.965 516 Q CA 0.319 56.087 55.803 -0.058 0.000 0.910 516 Q CB 0.644 29.355 28.738 -0.045 0.000 0.980 516 Q HN 0.445 nan 8.270 nan 0.000 0.491 517 V N -1.566 118.288 119.914 -0.099 0.000 2.604 517 V HA 0.537 4.652 4.120 -0.009 0.000 0.305 517 V C -2.640 173.305 176.094 -0.247 0.000 1.043 517 V CA -2.928 59.278 62.300 -0.156 0.000 0.888 517 V CB 1.340 33.093 31.823 -0.116 0.000 0.995 517 V HN -0.169 nan 8.190 nan 0.000 0.429 518 P HA 0.133 nan 4.420 nan 0.000 0.264 518 P C 0.817 177.724 177.300 -0.655 0.000 1.179 518 P CA 0.630 63.348 63.100 -0.637 0.000 0.763 518 P CB 0.802 31.752 31.700 -1.250 0.000 0.806 519 A N 3.746 126.321 122.820 -0.409 0.000 2.119 519 A HA -0.092 4.223 4.320 -0.009 0.000 0.217 519 A C 1.482 179.015 177.584 -0.086 0.000 1.153 519 A CA 0.601 52.530 52.037 -0.180 0.000 0.692 519 A CB -0.994 17.981 19.000 -0.042 0.000 0.799 519 A HN 0.821 nan 8.150 nan 0.000 0.458 520 W N -1.415 119.911 121.300 0.043 0.000 3.139 520 W HA 0.548 5.203 4.660 -0.008 0.000 0.260 520 W C 0.440 176.988 176.519 0.048 0.000 1.312 520 W CA -0.122 57.249 57.345 0.044 0.000 1.606 520 W CB -0.766 28.713 29.460 0.030 0.000 1.118 520 W HN 0.340 nan 8.180 nan 0.000 0.675 521 A N 2.879 125.561 122.820 -0.230 0.000 2.454 521 A HA 0.175 4.490 4.320 -0.009 0.000 0.260 521 A C 0.238 177.800 177.584 -0.038 0.000 1.106 521 A CA -0.006 51.929 52.037 -0.171 0.000 0.780 521 A CB 0.265 18.990 19.000 -0.457 0.000 1.044 521 A HN 0.074 nan 8.150 nan 0.000 0.498 522 D N 1.154 121.520 120.400 -0.057 0.000 2.414 522 D HA 0.398 5.032 4.640 -0.009 0.000 0.259 522 D C 0.800 176.728 176.300 -0.620 0.000 1.269 522 D CA 0.472 54.330 54.000 -0.238 0.000 1.028 522 D CB 0.508 41.217 40.800 -0.152 0.000 1.093 522 D HN 0.704 nan 8.370 nan 0.000 0.545 523 A N -0.011 122.399 122.820 -0.683 0.000 2.537 523 A HA 0.411 4.726 4.320 -0.009 0.000 0.260 523 A C 0.384 177.791 177.584 -0.294 0.000 1.082 523 A CA 0.197 51.892 52.037 -0.570 0.000 0.765 523 A CB -0.424 18.469 19.000 -0.178 0.000 1.019 523 A HN 0.506 nan 8.150 nan 0.000 0.507 524 A N 2.252 124.941 122.820 -0.219 0.000 2.301 524 A HA 0.552 4.867 4.320 -0.009 0.000 0.287 524 A C 0.293 177.822 177.584 -0.091 0.000 1.274 524 A CA -0.358 51.608 52.037 -0.117 0.000 0.865 524 A CB -0.163 18.802 19.000 -0.060 0.000 1.324 524 A HN 1.070 nan 8.150 nan 0.000 0.508 525 H N -1.171 117.770 119.070 -0.215 0.000 2.848 525 H HA 0.412 4.963 4.556 -0.009 0.000 0.317 525 H C 1.153 176.431 175.328 -0.084 0.000 1.046 525 H CA 1.085 56.966 56.048 -0.279 0.000 1.470 525 H CB 0.309 29.841 29.762 -0.383 0.000 1.483 525 H HN 1.385 nan 8.280 nan 0.000 0.548 526 G N 4.420 112.967 108.800 -0.420 0.000 2.175 526 G HA2 -0.265 3.690 3.960 -0.009 0.000 0.244 526 G HA3 -0.265 3.690 3.960 -0.009 0.000 0.244 526 G C 0.919 175.970 174.900 0.252 0.000 0.982 526 G CA 0.355 45.409 45.100 -0.076 0.000 0.641 526 G HN 0.635 nan 8.290 nan 0.000 0.527 527 D N 0.665 121.126 120.400 0.101 0.000 2.323 527 D HA 0.145 4.780 4.640 -0.009 0.000 0.209 527 D C 2.186 178.520 176.300 0.056 0.000 0.973 527 D CA 1.260 55.367 54.000 0.179 0.000 0.874 527 D CB 0.048 40.941 40.800 0.155 0.000 0.930 527 D HN 0.670 nan 8.370 nan 0.000 0.521 528 E N -0.071 119.969 120.200 -0.267 0.000 2.285 528 E HA -0.050 4.294 4.350 -0.009 0.000 0.194 528 E C 2.079 178.502 176.600 -0.296 0.000 0.997 528 E CA 0.193 56.150 56.400 -0.739 0.000 0.845 528 E CB -0.459 28.566 29.700 -1.124 0.000 0.782 528 E HN 0.049 nan 8.360 nan 0.000 0.491 529 V N 2.288 122.143 119.914 -0.099 0.000 2.287 529 V HA -0.193 3.922 4.120 -0.009 0.000 0.248 529 V C -0.534 175.348 176.094 -0.354 0.000 1.053 529 V CA 2.173 64.403 62.300 -0.118 0.000 1.027 529 V CB -1.575 30.296 31.823 0.081 0.000 0.646 529 V HN 0.309 nan 8.190 nan 0.000 0.447 530 P HA -0.158 nan 4.420 nan 0.000 0.218 530 P C 1.302 178.255 177.300 -0.579 0.000 1.149 530 P CA 1.627 64.219 63.100 -0.847 0.000 0.817 530 P CB -0.099 31.156 31.700 -0.741 0.000 0.785 531 Y N 0.201 120.286 120.300 -0.358 0.000 2.145 531 Y HA -0.142 4.403 4.550 -0.008 0.000 0.286 531 Y C 2.706 178.357 175.900 -0.415 0.000 1.145 531 Y CA 1.036 58.955 58.100 -0.303 0.000 1.148 531 Y CB -1.589 36.817 38.460 -0.090 0.000 0.981 531 Y HN -0.274 nan 8.280 nan 0.000 0.507 532 V N -0.491 119.235 119.914 -0.313 0.000 2.407 532 V HA -0.248 3.867 4.120 -0.009 0.000 0.248 532 V C 1.857 177.764 176.094 -0.312 0.000 1.055 532 V CA 1.311 63.352 62.300 -0.432 0.000 1.049 532 V CB -0.613 30.963 31.823 -0.412 0.000 0.662 532 V HN 0.269 nan 8.190 nan 0.000 0.455 533 L N 0.771 121.787 121.223 -0.345 0.000 2.599 533 L HA 0.314 4.649 4.340 -0.009 0.000 0.230 533 L C 1.667 178.310 176.870 -0.378 0.000 1.141 533 L CA 1.065 55.697 54.840 -0.345 0.000 0.877 533 L CB -1.287 40.510 42.059 -0.436 0.000 1.009 533 L HN 0.476 nan 8.230 nan 0.000 0.447 534 G N 0.045 108.593 108.800 -0.420 0.000 2.371 534 G HA2 -0.286 3.669 3.960 -0.009 0.000 0.299 534 G HA3 -0.286 3.669 3.960 -0.009 0.000 0.299 534 G C 1.117 175.711 174.900 -0.509 0.000 1.014 534 G CA 0.509 45.335 45.100 -0.457 0.000 1.097 534 G HN 0.276 nan 8.290 nan 0.000 0.512 535 I N -0.077 120.085 120.570 -0.680 0.000 2.500 535 I HA -0.042 4.123 4.170 -0.009 0.000 0.252 535 I C 0.024 175.576 176.117 -0.941 0.000 1.142 535 I CA 0.935 61.786 61.300 -0.749 0.000 1.451 535 I CB -1.560 35.928 38.000 -0.853 0.000 1.093 535 I HN 0.149 nan 8.210 nan 0.000 0.430 536 P HA -0.117 nan 4.420 nan 0.000 0.222 536 P C 1.831 178.844 177.300 -0.478 0.000 1.147 536 P CA 1.063 63.565 63.100 -0.997 0.000 0.790 536 P CB -0.035 31.194 31.700 -0.784 0.000 0.780 537 M N -1.592 117.757 119.600 -0.418 0.000 2.279 537 M HA -0.074 4.401 4.480 -0.009 0.000 0.264 537 M C 1.690 177.874 176.300 -0.194 0.000 1.062 537 M CA 1.700 56.843 55.300 -0.262 0.000 1.099 537 M CB -0.674 31.774 32.600 -0.252 0.000 1.394 537 M HN -0.114 nan 8.290 nan 0.000 0.426 538 I N -1.738 118.695 120.570 -0.228 0.000 3.172 538 I HA 0.266 4.431 4.170 -0.009 0.000 0.278 538 I C 1.118 177.170 176.117 -0.107 0.000 1.174 538 I CA 0.348 61.561 61.300 -0.144 0.000 1.445 538 I CB -0.043 37.876 38.000 -0.136 0.000 1.175 538 I HN 0.367 nan 8.210 nan 0.000 0.447 539 G N 1.527 110.238 108.800 -0.149 0.000 2.661 539 G HA2 -0.111 3.844 3.960 -0.009 0.000 0.685 539 G HA3 -0.111 3.844 3.960 -0.009 0.000 0.685 539 G C -2.826 172.134 174.900 0.100 0.000 1.298 539 G CA -1.194 43.913 45.100 0.012 0.000 0.855 539 G HN -0.048 nan 8.290 nan 0.000 0.560 540 P HA 0.241 nan 4.420 nan 0.000 0.261 540 P C 0.718 178.096 177.300 0.130 0.000 1.173 540 P CA 1.195 64.444 63.100 0.248 0.000 0.760 540 P CB 0.409 32.179 31.700 0.117 0.000 0.783 541 T N -1.222 113.420 114.554 0.146 0.000 2.919 541 T HA 0.280 4.624 4.350 -0.009 0.000 0.282 541 T C 1.163 175.907 174.700 0.072 0.000 1.020 541 T CA -0.671 61.482 62.100 0.088 0.000 0.994 541 T CB 1.226 70.146 68.868 0.087 0.000 1.180 541 T HN 0.303 nan 8.240 nan 0.000 0.566 542 E N -0.430 119.800 120.200 0.050 0.000 2.110 542 E HA -0.096 4.249 4.350 -0.009 0.000 0.193 542 E C 1.768 178.362 176.600 -0.010 0.000 0.988 542 E CA 0.807 57.222 56.400 0.025 0.000 0.804 542 E CB -0.191 29.530 29.700 0.034 0.000 0.745 542 E HN 0.410 nan 8.360 nan 0.000 0.458 543 L N -0.109 121.101 121.223 -0.022 0.000 2.023 543 L HA -0.016 4.319 4.340 -0.009 0.000 0.205 543 L C 0.481 177.095 176.870 -0.428 0.000 1.073 543 L CA 1.562 56.259 54.840 -0.239 0.000 0.745 543 L CB 0.005 41.867 42.059 -0.330 0.000 0.900 543 L HN -0.086 nan 8.230 nan 0.000 0.435 544 F N 1.065 120.950 119.950 -0.108 0.000 2.310 544 F HA 0.390 4.912 4.527 -0.009 0.000 0.365 544 F C -1.728 174.089 175.800 0.029 0.000 1.080 544 F CA -1.875 56.100 58.000 -0.041 0.000 1.187 544 F CB 0.457 39.446 39.000 -0.019 0.000 1.465 544 F HN 0.057 nan 8.300 nan 0.000 0.496 545 P HA 0.060 nan 4.420 nan 0.000 0.258 545 P C 0.474 177.720 177.300 -0.089 0.000 1.416 545 P CA 0.027 63.135 63.100 0.012 0.000 0.927 545 P CB -0.148 31.537 31.700 -0.024 0.000 1.444 546 c N 1.261 119.718 118.600 -0.237 0.000 2.703 546 c HA 0.174 4.739 4.570 -0.009 0.000 0.411 546 c C 0.922 174.669 174.090 -0.572 0.000 1.290 546 c CA 0.038 56.060 56.329 -0.511 0.000 2.054 546 c CB -1.137 40.865 42.510 -0.847 0.000 2.732 546 c HN 0.183 nan 8.230 nan 0.000 0.650 547 N N 4.130 122.598 118.700 -0.386 0.000 2.807 547 N HA 0.246 4.981 4.740 -0.009 0.000 0.259 547 N C -0.760 174.619 175.510 -0.217 0.000 1.149 547 N CA 0.074 52.995 53.050 -0.215 0.000 1.042 547 N CB -0.274 38.145 38.487 -0.115 0.000 1.367 547 N HN 0.476 nan 8.380 nan 0.000 0.516 548 F N 0.609 120.523 119.950 -0.059 0.000 2.590 548 F HA -0.032 4.490 4.527 -0.009 0.000 0.389 548 F C 1.864 177.639 175.800 -0.042 0.000 1.049 548 F CA -0.301 57.656 58.000 -0.071 0.000 1.199 548 F CB 0.056 38.974 39.000 -0.136 0.000 1.058 548 F HN 0.238 nan 8.300 nan 0.000 0.556 549 S N 3.832 119.611 115.700 0.132 0.000 2.618 549 S HA 0.103 4.568 4.470 -0.009 0.000 0.254 549 S C 1.345 175.995 174.600 0.083 0.000 1.284 549 S CA -0.137 58.117 58.200 0.089 0.000 0.975 549 S CB 0.507 63.760 63.200 0.088 0.000 1.022 549 S HN 0.749 nan 8.310 nan 0.000 0.571 550 K N 0.403 120.835 120.400 0.054 0.000 2.116 550 K HA 0.019 4.334 4.320 -0.009 0.000 0.203 550 K C 1.566 178.186 176.600 0.034 0.000 1.052 550 K CA 0.893 57.200 56.287 0.033 0.000 0.952 550 K CB -0.569 31.944 32.500 0.021 0.000 0.729 550 K HN 0.420 nan 8.250 nan 0.000 0.446 551 N N 1.632 120.359 118.700 0.045 0.000 2.223 551 N HA -0.131 4.604 4.740 -0.009 0.000 0.185 551 N C 1.074 176.630 175.510 0.077 0.000 1.016 551 N CA 1.389 54.457 53.050 0.030 0.000 0.863 551 N CB -0.191 38.287 38.487 -0.015 0.000 0.983 551 N HN 0.286 nan 8.380 nan 0.000 0.429 552 D N 0.619 121.112 120.400 0.154 0.000 2.117 552 D HA -0.074 4.561 4.640 -0.009 0.000 0.197 552 D C 2.116 178.424 176.300 0.014 0.000 0.987 552 D CA 0.503 54.634 54.000 0.219 0.000 0.829 552 D CB -0.224 40.736 40.800 0.267 0.000 0.961 552 D HN 0.018 nan 8.370 nan 0.000 0.460 553 V N 1.543 121.433 119.914 -0.040 0.000 2.343 553 V HA -0.294 3.821 4.120 -0.009 0.000 0.247 553 V C 2.466 178.508 176.094 -0.086 0.000 1.051 553 V CA 1.967 64.196 62.300 -0.118 0.000 1.036 553 V CB -0.628 31.139 31.823 -0.093 0.000 0.654 553 V HN 0.263 nan 8.190 nan 0.000 0.451 554 M N -0.159 119.428 119.600 -0.022 0.000 2.067 554 M HA -0.136 4.339 4.480 -0.009 0.000 0.260 554 M C 2.118 178.418 176.300 -0.000 0.000 1.069 554 M CA 2.085 57.382 55.300 -0.005 0.000 1.117 554 M CB -1.048 31.569 32.600 0.028 0.000 1.334 554 M HN 0.148 nan 8.290 nan 0.000 0.407 555 L N -0.105 121.152 121.223 0.055 0.000 1.990 555 L HA -0.238 4.097 4.340 -0.009 0.000 0.213 555 L C 2.809 179.723 176.870 0.073 0.000 1.072 555 L CA 2.271 57.168 54.840 0.095 0.000 0.755 555 L CB -0.719 41.460 42.059 0.200 0.000 0.889 555 L HN 0.735 nan 8.230 nan 0.000 0.432 556 S N -0.530 115.216 115.700 0.076 0.000 2.372 556 S HA -0.278 4.187 4.470 -0.009 0.000 0.227 556 S C 2.035 176.462 174.600 -0.288 0.000 1.044 556 S CA 1.653 59.783 58.200 -0.116 0.000 1.050 556 S CB -0.239 62.775 63.200 -0.310 0.000 0.901 556 S HN 0.562 nan 8.310 nan 0.000 0.447 557 A N 0.420 123.052 122.820 -0.313 0.000 1.972 557 A HA 0.037 4.351 4.320 -0.009 0.000 0.219 557 A C 2.344 179.798 177.584 -0.217 0.000 1.169 557 A CA 1.686 53.482 52.037 -0.402 0.000 0.635 557 A CB -0.834 18.046 19.000 -0.199 0.000 0.810 557 A HN 0.491 nan 8.150 nan 0.000 0.446 558 V N -0.681 119.113 119.914 -0.200 0.000 2.283 558 V HA -0.197 3.918 4.120 -0.009 0.000 0.243 558 V C 2.553 178.501 176.094 -0.243 0.000 1.039 558 V CA 1.834 63.939 62.300 -0.325 0.000 1.016 558 V CB -0.835 30.829 31.823 -0.265 0.000 0.650 558 V HN 0.350 nan 8.190 nan 0.000 0.449 559 V N -0.377 119.470 119.914 -0.111 0.000 2.255 559 V HA -0.371 3.743 4.120 -0.009 0.000 0.247 559 V C 2.439 178.465 176.094 -0.114 0.000 1.051 559 V CA 2.647 64.867 62.300 -0.133 0.000 1.018 559 V CB -0.571 31.052 31.823 -0.333 0.000 0.641 559 V HN 0.451 nan 8.190 nan 0.000 0.445 560 M N -0.641 118.843 119.600 -0.194 0.000 2.202 560 M HA -0.191 4.284 4.480 -0.009 0.000 0.262 560 M C 2.145 178.551 176.300 0.177 0.000 1.063 560 M CA 2.044 57.305 55.300 -0.065 0.000 1.097 560 M CB -0.629 31.818 32.600 -0.255 0.000 1.382 560 M HN 0.441 nan 8.290 nan 0.000 0.413 561 T N -0.674 113.957 114.554 0.128 0.000 2.737 561 T HA -0.136 4.209 4.350 -0.009 0.000 0.265 561 T C 1.436 176.227 174.700 0.151 0.000 1.038 561 T CA 1.181 63.343 62.100 0.102 0.000 1.144 561 T CB -0.346 68.463 68.868 -0.099 0.000 0.866 561 T HN 0.261 nan 8.240 nan 0.000 0.434 562 Y N 0.139 120.594 120.300 0.259 0.000 2.145 562 Y HA -0.074 4.471 4.550 -0.008 0.000 0.286 562 Y C 2.383 178.533 175.900 0.417 0.000 1.145 562 Y CA 0.223 58.550 58.100 0.378 0.000 1.148 562 Y CB -0.705 38.118 38.460 0.607 0.000 0.981 562 Y HN 0.327 nan 8.280 nan 0.000 0.507 563 W N 0.403 121.840 121.300 0.229 0.000 2.354 563 W HA -0.241 4.414 4.660 -0.009 0.000 0.315 563 W C 2.513 179.096 176.519 0.106 0.000 1.206 563 W CA 2.019 59.440 57.345 0.125 0.000 1.290 563 W CB -0.667 28.819 29.460 0.043 0.000 1.152 563 W HN 0.200 nan 8.180 nan 0.000 0.489 564 T N -2.073 112.668 114.554 0.312 0.000 2.904 564 T HA -0.136 4.209 4.350 -0.009 0.000 0.267 564 T C 1.349 176.122 174.700 0.121 0.000 1.059 564 T CA 1.224 63.421 62.100 0.162 0.000 1.137 564 T CB -0.581 68.367 68.868 0.133 0.000 0.879 564 T HN -0.079 nan 8.240 nan 0.000 0.467 565 N N 0.900 119.692 118.700 0.154 0.000 2.166 565 N HA 0.015 4.750 4.740 -0.009 0.000 0.186 565 N C 1.296 176.855 175.510 0.082 0.000 1.019 565 N CA 0.874 53.987 53.050 0.106 0.000 0.856 565 N CB -0.686 37.882 38.487 0.134 0.000 0.993 565 N HN 0.466 nan 8.380 nan 0.000 0.426 566 F N 1.529 121.445 119.950 -0.055 0.000 2.113 566 F HA -0.032 4.490 4.527 -0.009 0.000 0.297 566 F C 2.162 177.909 175.800 -0.089 0.000 1.103 566 F CA 1.224 59.137 58.000 -0.145 0.000 1.248 566 F CB -0.466 38.373 39.000 -0.268 0.000 0.999 566 F HN 0.033 nan 8.300 nan 0.000 0.475 567 A N 0.191 123.012 122.820 0.002 0.000 1.933 567 A HA -0.214 4.101 4.320 -0.009 0.000 0.218 567 A C 2.207 179.734 177.584 -0.093 0.000 1.175 567 A CA 1.947 53.942 52.037 -0.071 0.000 0.628 567 A CB -0.623 18.366 19.000 -0.018 0.000 0.814 567 A HN 0.487 nan 8.150 nan 0.000 0.444 568 K N -1.165 119.200 120.400 -0.058 0.000 2.062 568 K HA -0.057 4.258 4.320 -0.009 0.000 0.205 568 K C 1.740 178.293 176.600 -0.079 0.000 1.051 568 K CA 1.742 58.000 56.287 -0.048 0.000 0.941 568 K CB -0.100 32.389 32.500 -0.017 0.000 0.719 568 K HN 0.685 nan 8.250 nan 0.000 0.440 569 T N -4.908 109.576 114.554 -0.118 0.000 3.009 569 T HA 0.237 4.582 4.350 -0.009 0.000 0.267 569 T C 1.158 175.743 174.700 -0.191 0.000 0.942 569 T CA 0.230 62.262 62.100 -0.113 0.000 0.883 569 T CB 1.046 69.880 68.868 -0.056 0.000 1.192 569 T HN 0.261 nan 8.240 nan 0.000 0.524 570 G N 1.592 110.150 108.800 -0.404 0.000 2.147 570 G HA2 -0.152 3.803 3.960 -0.009 0.000 0.244 570 G HA3 -0.152 3.803 3.960 -0.009 0.000 0.244 570 G C -0.409 174.359 174.900 -0.219 0.000 1.005 570 G CA 0.224 44.929 45.100 -0.658 0.000 0.713 570 G HN 0.826 nan 8.290 nan 0.000 0.515 571 D N -0.781 119.540 120.400 -0.133 0.000 2.763 571 D HA 0.392 5.027 4.640 -0.009 0.000 0.235 571 D C -1.520 174.713 176.300 -0.111 0.000 1.334 571 D CA -1.527 52.399 54.000 -0.123 0.000 0.950 571 D CB 2.003 42.802 40.800 -0.001 0.000 1.433 571 D HN -0.010 nan 8.370 nan 0.000 0.580 572 P HA -0.042 nan 4.420 nan 0.000 0.234 572 P C 0.610 178.060 177.300 0.251 0.000 1.167 572 P CA 0.514 63.627 63.100 0.022 0.000 0.763 572 P CB 0.705 32.286 31.700 -0.198 0.000 0.835 573 N N -0.927 117.847 118.700 0.124 0.000 2.258 573 N HA -0.013 4.722 4.740 -0.009 0.000 0.183 573 N C 1.195 176.770 175.510 0.108 0.000 1.029 573 N CA 0.578 53.737 53.050 0.182 0.000 0.857 573 N CB -0.611 37.977 38.487 0.168 0.000 1.008 573 N HN 0.092 nan 8.380 nan 0.000 0.433 574 Q N 1.140 120.981 119.800 0.069 0.000 2.793 574 Q HA 0.120 4.455 4.340 -0.009 0.000 0.220 574 Q C -1.368 174.652 176.000 0.033 0.000 1.123 574 Q CA -0.957 54.873 55.803 0.045 0.000 1.073 574 Q CB -0.823 27.933 28.738 0.030 0.000 1.315 574 Q HN 0.016 nan 8.270 nan 0.000 0.619 575 P HA -0.316 nan 4.420 nan 0.000 0.264 575 P C -0.482 176.818 177.300 -0.000 0.000 0.824 575 P CA 1.381 64.484 63.100 0.006 0.000 1.073 575 P CB -0.416 31.283 31.700 -0.002 0.000 0.839 576 V N 1.507 121.410 119.914 -0.018 0.000 2.703 576 V HA -0.071 4.043 4.120 -0.009 0.000 0.300 576 V C -1.391 174.679 176.094 -0.038 0.000 1.063 576 V CA 0.154 62.430 62.300 -0.041 0.000 1.240 576 V CB -1.034 30.746 31.823 -0.072 0.000 0.845 576 V HN 0.376 nan 8.190 nan 0.000 0.476 577 P HA 0.271 nan 4.420 nan 0.000 0.280 577 P C -1.023 176.229 177.300 -0.081 0.000 1.272 577 P CA -0.777 62.305 63.100 -0.030 0.000 0.819 577 P CB 0.870 32.574 31.700 0.007 0.000 1.122 578 Q N 1.608 121.350 119.800 -0.098 0.000 2.377 578 Q HA 0.257 4.592 4.340 -0.009 0.000 0.249 578 Q C -0.055 175.949 176.000 0.006 0.000 1.005 578 Q CA 0.146 55.834 55.803 -0.192 0.000 0.912 578 Q CB 0.667 29.105 28.738 -0.501 0.000 1.223 578 Q HN 0.530 nan 8.270 nan 0.000 0.459 591 E N 0.289 120.567 120.200 0.130 0.000 1.998 591 E HA -0.076 4.269 4.350 -0.009 0.000 0.195 591 E C 1.125 177.791 176.600 0.110 0.000 0.994 591 E CA 1.230 57.691 56.400 0.102 0.000 0.835 591 E CB 0.073 29.804 29.700 0.052 0.000 0.786 591 E HN 0.281 nan 8.360 nan 0.000 0.467 592 E N 0.879 121.125 120.200 0.077 0.000 2.502 592 E HA -0.003 4.341 4.350 -0.009 0.000 0.194 592 E C 0.112 176.776 176.600 0.108 0.000 1.062 592 E CA 0.185 56.633 56.400 0.079 0.000 0.867 592 E CB 0.402 30.129 29.700 0.045 0.000 0.888 592 E HN 0.055 nan 8.360 nan 0.000 0.510 593 V N 1.981 121.983 119.914 0.147 0.000 2.071 593 V HA 0.232 4.346 4.120 -0.009 0.000 0.254 593 V C 0.303 176.594 176.094 0.329 0.000 1.456 593 V CA -0.288 62.140 62.300 0.215 0.000 1.383 593 V CB -0.349 31.608 31.823 0.222 0.000 1.433 593 V HN 0.056 nan 8.190 nan 0.000 0.499 594 A N 3.524 126.501 122.820 0.261 0.000 2.271 594 A HA 0.498 4.813 4.320 -0.009 0.000 0.317 594 A C -0.509 177.279 177.584 0.339 0.000 1.245 594 A CA -0.597 51.622 52.037 0.304 0.000 0.857 594 A CB 0.477 19.619 19.000 0.235 0.000 1.175 594 A HN 0.659 nan 8.150 nan 0.000 0.512 595 W N 4.851 126.227 121.300 0.127 0.000 2.812 595 W HA 0.189 4.844 4.660 -0.009 0.000 0.376 595 W C -0.300 176.343 176.519 0.207 0.000 1.309 595 W CA 0.087 57.472 57.345 0.067 0.000 1.479 595 W CB -0.610 28.749 29.460 -0.168 0.000 1.595 595 W HN 0.639 nan 8.180 nan 0.000 0.508 596 T N 5.815 120.702 114.554 0.554 0.000 2.918 596 T HA 0.074 4.419 4.350 -0.009 0.000 0.302 596 T C 0.430 175.369 174.700 0.399 0.000 1.045 596 T CA -0.426 61.909 62.100 0.392 0.000 1.114 596 T CB 0.769 69.787 68.868 0.249 0.000 0.965 596 T HN 0.386 nan 8.240 nan 0.000 0.540 597 R N 1.519 122.144 120.500 0.207 0.000 2.570 597 R HA 0.077 4.412 4.340 -0.009 0.000 0.277 597 R C -0.748 175.556 176.300 0.006 0.000 1.039 597 R CA -0.321 55.703 56.100 -0.128 0.000 1.065 597 R CB 0.089 30.269 30.300 -0.198 0.000 0.964 597 R HN 0.690 nan 8.270 nan 0.000 0.428 598 Y N 4.062 124.279 120.300 -0.139 0.000 2.335 598 Y HA 0.283 4.828 4.550 -0.008 0.000 0.331 598 Y C -0.725 175.148 175.900 -0.045 0.000 1.094 598 Y CA 0.476 58.572 58.100 -0.008 0.000 1.253 598 Y CB 0.862 39.362 38.460 0.067 0.000 1.203 598 Y HN 0.810 nan 8.280 nan 0.000 0.508 599 S N 3.571 119.025 115.700 -0.411 0.000 2.588 599 S HA 0.198 4.663 4.470 -0.009 0.000 0.275 599 S C 0.223 174.559 174.600 -0.440 0.000 1.130 599 S CA -0.941 57.109 58.200 -0.250 0.000 0.855 599 S CB 1.814 64.937 63.200 -0.127 0.000 1.116 599 S HN 0.839 nan 8.310 nan 0.000 0.472 600 Q N 0.773 120.455 119.800 -0.195 0.000 2.291 600 Q HA -0.111 4.224 4.340 -0.009 0.000 0.206 600 Q C 1.843 177.752 176.000 -0.153 0.000 0.976 600 Q CA 1.532 57.242 55.803 -0.154 0.000 0.875 600 Q CB -0.121 28.597 28.738 -0.033 0.000 0.927 600 Q HN 0.754 nan 8.270 nan 0.000 0.450 601 K N -0.039 120.279 120.400 -0.137 0.000 1.965 601 K HA -0.184 4.131 4.320 -0.009 0.000 0.214 601 K C 0.777 177.331 176.600 -0.078 0.000 1.046 601 K CA 1.948 58.193 56.287 -0.071 0.000 0.944 601 K CB 0.076 32.545 32.500 -0.052 0.000 0.726 601 K HN 0.159 nan 8.250 nan 0.000 0.441 602 D N -0.282 120.009 120.400 -0.181 0.000 2.423 602 D HA 0.031 4.666 4.640 -0.009 0.000 0.208 602 D C -0.313 175.638 176.300 -0.582 0.000 1.068 602 D CA 0.161 54.038 54.000 -0.204 0.000 0.860 602 D CB 0.594 41.361 40.800 -0.054 0.000 0.992 602 D HN 0.248 nan 8.370 nan 0.000 0.504 603 Q N 0.401 119.804 119.800 -0.662 0.000 2.439 603 Q HA -0.191 4.143 4.340 -0.009 0.000 0.325 603 Q C -0.610 175.191 176.000 -0.332 0.000 1.372 603 Q CA 0.111 55.364 55.803 -0.917 0.000 0.909 603 Q CB -1.658 26.620 28.738 -0.767 0.000 1.167 603 Q HN 0.358 nan 8.270 nan 0.000 0.418 604 L N 1.527 122.661 121.223 -0.148 0.000 2.416 604 L HA 0.346 4.681 4.340 -0.009 0.000 0.272 604 L C 0.238 177.390 176.870 0.471 0.000 1.161 604 L CA -0.115 54.813 54.840 0.146 0.000 0.845 604 L CB 0.023 42.147 42.059 0.108 0.000 1.119 604 L HN 0.229 nan 8.230 nan 0.000 0.464 605 Y N 1.849 122.354 120.300 0.340 0.000 2.581 605 Y HA 0.599 5.143 4.550 -0.009 0.000 0.345 605 Y C -1.286 174.736 175.900 0.202 0.000 1.036 605 Y CA -1.573 56.808 58.100 0.468 0.000 1.042 605 Y CB 1.113 39.909 38.460 0.560 0.000 1.289 605 Y HN 0.301 nan 8.280 nan 0.000 0.471 606 L N 4.618 125.817 121.223 -0.040 0.000 2.255 606 L HA 0.304 4.639 4.340 -0.009 0.000 0.289 606 L C -0.478 176.279 176.870 -0.189 0.000 1.046 606 L CA -0.349 54.217 54.840 -0.458 0.000 0.816 606 L CB -0.024 41.200 42.059 -1.392 0.000 1.197 606 L HN 1.081 nan 8.230 nan 0.000 0.427 607 H N 5.705 124.615 119.070 -0.266 0.000 3.026 607 H HA 0.210 4.761 4.556 -0.009 0.000 0.289 607 H C -0.392 174.838 175.328 -0.164 0.000 1.022 607 H CA 0.013 55.967 56.048 -0.156 0.000 1.477 607 H CB 0.343 29.977 29.762 -0.213 0.000 1.510 607 H HN 0.566 nan 8.280 nan 0.000 0.535 608 I N 6.654 127.007 120.570 -0.361 0.000 2.307 608 I HA 0.342 4.506 4.170 -0.009 0.000 0.287 608 I C 0.806 176.603 176.117 -0.533 0.000 1.054 608 I CA 0.030 61.113 61.300 -0.362 0.000 1.218 608 I CB 0.715 38.471 38.000 -0.407 0.000 1.398 608 I HN 0.782 nan 8.210 nan 0.000 0.475 609 G N 4.238 112.918 108.800 -0.201 0.000 2.975 609 G HA2 0.430 4.385 3.960 -0.009 0.000 0.291 609 G HA3 0.430 4.385 3.960 -0.009 0.000 0.291 609 G C 0.040 174.894 174.900 -0.078 0.000 1.334 609 G CA -0.520 44.518 45.100 -0.103 0.000 0.843 609 G HN 0.238 nan 8.290 nan 0.000 0.548 610 L N -0.669 120.485 121.223 -0.115 0.000 2.362 610 L HA 0.150 4.484 4.340 -0.009 0.000 0.219 610 L C 1.172 177.998 176.870 -0.073 0.000 1.134 610 L CA 1.254 56.009 54.840 -0.142 0.000 0.807 610 L CB -0.548 41.411 42.059 -0.167 0.000 0.927 610 L HN 0.438 nan 8.230 nan 0.000 0.447 611 K N -0.704 119.681 120.400 -0.024 0.000 3.122 611 K HA 0.330 4.645 4.320 -0.009 0.000 0.193 611 K C -2.494 174.054 176.600 -0.088 0.000 1.141 611 K CA -1.719 54.519 56.287 -0.082 0.000 0.975 611 K CB -0.498 31.950 32.500 -0.086 0.000 1.173 611 K HN -0.072 nan 8.250 nan 0.000 0.546 612 P HA 0.054 nan 4.420 nan 0.000 0.267 612 P C -0.515 176.748 177.300 -0.062 0.000 1.209 612 P CA 0.045 63.173 63.100 0.047 0.000 0.763 612 P CB 0.772 32.568 31.700 0.160 0.000 0.816 613 R N 1.215 121.680 120.500 -0.058 0.000 2.774 613 R HA 0.604 4.939 4.340 -0.009 0.000 0.272 613 R C -1.030 175.191 176.300 -0.133 0.000 1.000 613 R CA -1.258 54.770 56.100 -0.119 0.000 0.906 613 R CB 2.356 32.535 30.300 -0.202 0.000 1.227 613 R HN 0.315 nan 8.270 nan 0.000 0.468 614 V N 1.743 121.580 119.914 -0.129 0.000 2.472 614 V HA 0.550 4.664 4.120 -0.009 0.000 0.290 614 V C -0.734 175.215 176.094 -0.240 0.000 1.037 614 V CA -0.181 62.004 62.300 -0.191 0.000 0.908 614 V CB 1.227 33.021 31.823 -0.049 0.000 0.985 614 V HN 0.629 nan 8.190 nan 0.000 0.454 615 K N 4.102 124.215 120.400 -0.479 0.000 2.197 615 K HA 0.591 4.906 4.320 -0.009 0.000 0.247 615 K C -1.210 175.285 176.600 -0.176 0.000 1.077 615 K CA -0.731 55.350 56.287 -0.343 0.000 0.882 615 K CB 2.195 34.488 32.500 -0.344 0.000 1.396 615 K HN 0.918 nan 8.250 nan 0.000 0.482 616 E N -0.254 120.050 120.200 0.173 0.000 2.317 616 E HA 0.354 4.699 4.350 -0.009 0.000 0.270 616 E C -0.987 175.934 176.600 0.535 0.000 0.885 616 E CA -0.788 55.807 56.400 0.326 0.000 0.760 616 E CB 1.276 31.139 29.700 0.272 0.000 1.227 616 E HN 0.523 nan 8.360 nan 0.000 0.434 617 H N 0.826 120.076 119.070 0.300 0.000 2.680 617 H HA -0.243 4.308 4.556 -0.008 0.000 0.328 617 H C -1.087 174.344 175.328 0.172 0.000 1.139 617 H CA 0.620 56.772 56.048 0.174 0.000 1.124 617 H CB -1.534 28.288 29.762 0.099 0.000 1.584 617 H HN 0.655 nan 8.280 nan 0.000 0.410 618 Y N 2.499 122.762 120.300 -0.061 0.000 2.802 618 Y HA -0.066 4.479 4.550 -0.008 0.000 0.333 618 Y C 1.138 177.021 175.900 -0.029 0.000 1.244 618 Y CA 0.394 58.333 58.100 -0.268 0.000 1.558 618 Y CB 0.292 38.255 38.460 -0.829 0.000 1.233 618 Y HN 0.458 nan 8.280 nan 0.000 0.547 619 R N 3.263 123.544 120.500 -0.364 0.000 3.301 619 R HA -0.294 4.041 4.340 -0.009 0.000 0.249 619 R C 1.155 177.407 176.300 -0.079 0.000 0.964 619 R CA 0.323 56.251 56.100 -0.286 0.000 0.653 619 R CB -1.584 28.423 30.300 -0.487 0.000 1.043 619 R HN 0.827 nan 8.270 nan 0.000 0.454 620 A N 0.303 123.129 122.820 0.010 0.000 2.019 620 A HA -0.210 4.105 4.320 -0.009 0.000 0.219 620 A C 1.942 179.546 177.584 0.033 0.000 1.164 620 A CA 1.559 53.633 52.037 0.062 0.000 0.644 620 A CB -0.277 18.787 19.000 0.106 0.000 0.805 620 A HN 0.611 nan 8.150 nan 0.000 0.449 621 N N -0.485 118.214 118.700 -0.001 0.000 2.062 621 N HA -0.138 4.597 4.740 -0.009 0.000 0.191 621 N C 1.497 176.998 175.510 -0.016 0.000 1.042 621 N CA 1.266 54.303 53.050 -0.021 0.000 0.845 621 N CB -0.080 38.376 38.487 -0.052 0.000 1.024 621 N HN 0.202 nan 8.380 nan 0.000 0.424 622 K N 1.022 121.419 120.400 -0.005 0.000 2.103 622 K HA -0.002 4.313 4.320 -0.009 0.000 0.204 622 K C 2.143 178.881 176.600 0.230 0.000 1.052 622 K CA 0.365 56.695 56.287 0.072 0.000 0.945 622 K CB -0.795 31.782 32.500 0.127 0.000 0.722 622 K HN 0.067 nan 8.250 nan 0.000 0.443 623 V N 2.701 122.727 119.914 0.186 0.000 2.255 623 V HA -0.265 3.850 4.120 -0.009 0.000 0.247 623 V C 2.033 178.247 176.094 0.201 0.000 1.051 623 V CA 1.775 64.206 62.300 0.219 0.000 1.018 623 V CB -0.457 31.446 31.823 0.134 0.000 0.641 623 V HN 0.373 nan 8.190 nan 0.000 0.445 624 N N -0.085 118.689 118.700 0.122 0.000 2.309 624 N HA -0.107 4.628 4.740 -0.009 0.000 0.182 624 N C 1.869 177.419 175.510 0.068 0.000 1.018 624 N CA 1.050 54.157 53.050 0.096 0.000 0.876 624 N CB -0.203 38.321 38.487 0.062 0.000 0.972 624 N HN 0.395 nan 8.380 nan 0.000 0.434 625 L N -0.246 120.987 121.223 0.016 0.000 1.990 625 L HA -0.169 4.166 4.340 -0.009 0.000 0.213 625 L C 1.563 178.366 176.870 -0.111 0.000 1.072 625 L CA 1.821 56.591 54.840 -0.117 0.000 0.755 625 L CB -0.535 41.372 42.059 -0.255 0.000 0.889 625 L HN 0.242 nan 8.230 nan 0.000 0.432 626 W N -0.472 120.901 121.300 0.123 0.000 2.576 626 W HA -0.007 4.649 4.660 -0.007 0.000 0.270 626 W C 2.471 179.051 176.519 0.102 0.000 1.255 626 W CA 0.017 57.442 57.345 0.134 0.000 1.314 626 W CB 0.048 29.599 29.460 0.151 0.000 1.101 626 W HN 0.078 nan 8.180 nan 0.000 0.595 627 L N -0.154 121.245 121.223 0.292 0.000 2.168 627 L HA -0.022 4.313 4.340 -0.009 0.000 0.203 627 L C 2.463 179.432 176.870 0.165 0.000 1.078 627 L CA 1.514 56.475 54.840 0.201 0.000 0.780 627 L CB -0.582 41.572 42.059 0.158 0.000 0.939 627 L HN 0.070 nan 8.230 nan 0.000 0.451 628 E N -0.243 120.046 120.200 0.149 0.000 2.244 628 E HA -0.079 4.265 4.350 -0.009 0.000 0.196 628 E C 2.152 178.878 176.600 0.211 0.000 0.939 628 E CA 0.176 56.671 56.400 0.158 0.000 0.884 628 E CB 0.148 29.918 29.700 0.118 0.000 0.850 628 E HN 0.286 nan 8.360 nan 0.000 0.481 629 L N 1.170 122.468 121.223 0.125 0.000 2.221 629 L HA 0.093 4.428 4.340 -0.009 0.000 0.202 629 L C 2.332 179.230 176.870 0.047 0.000 1.074 629 L CA 0.527 55.417 54.840 0.084 0.000 0.795 629 L CB -0.005 42.038 42.059 -0.025 0.000 0.960 629 L HN 0.101 nan 8.230 nan 0.000 0.458 630 V N 1.750 121.654 119.914 -0.018 0.000 2.392 630 V HA -0.180 3.935 4.120 -0.009 0.000 0.249 630 V C -0.297 175.717 176.094 -0.133 0.000 1.059 630 V CA 1.944 64.176 62.300 -0.113 0.000 1.051 630 V CB -1.605 30.204 31.823 -0.023 0.000 0.658 630 V HN 0.329 nan 8.190 nan 0.000 0.455 631 P HA -0.169 nan 4.420 nan 0.000 0.216 631 P C 1.157 178.436 177.300 -0.036 0.000 1.153 631 P CA 1.547 64.724 63.100 0.129 0.000 0.858 631 P CB -0.180 31.544 31.700 0.041 0.000 0.789 632 H N -2.110 116.944 119.070 -0.025 0.000 2.567 632 H HA 0.035 4.587 4.556 -0.007 0.000 0.276 632 H C 0.448 175.716 175.328 -0.099 0.000 1.016 632 H CA 0.439 56.464 56.048 -0.038 0.000 1.186 632 H CB -0.593 29.148 29.762 -0.034 0.000 1.351 632 H HN 0.031 nan 8.280 nan 0.000 0.605 633 L N 0.765 121.897 121.223 -0.151 0.000 3.141 633 L HA 0.161 4.496 4.340 -0.009 0.000 0.267 633 L C -0.210 176.465 176.870 -0.325 0.000 1.281 633 L CA -0.062 54.640 54.840 -0.230 0.000 1.037 633 L CB -0.236 41.649 42.059 -0.290 0.000 1.407 633 L HN 0.286 nan 8.230 nan 0.000 0.566 634 H N -0.540 118.530 119.070 0.001 0.000 2.731 634 H HA 0.617 5.168 4.556 -0.008 0.000 0.368 634 H C -0.369 174.971 175.328 0.020 0.000 1.168 634 H CA -0.578 55.474 56.048 0.006 0.000 1.181 634 H CB 2.023 31.793 29.762 0.015 0.000 1.743 634 H HN 0.021 nan 8.280 nan 0.000 0.547 635 N N 0.000 118.813 118.700 0.188 0.000 1.763 635 N HA 0.000 4.735 4.740 -0.009 0.000 0.220 635 N CA 0.000 53.130 53.050 0.133 0.000 0.885 635 N CB 0.000 38.565 38.487 0.130 0.000 1.341 635 N HN 0.000 nan 8.380 nan 0.000 0.667