REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2b9v_1_E DATA FIRST_RESID 50 DATA SEQUENCE HDPLSVQTGS DIPXXXXXXX XXQRDYIKRE VMVPMRDGVK LYTVIVIPKN DATA SEQUENCE ARNAPILLTR TPYNAKGRAN RVPNALTMRE VLPQGDDVFV EGGYIRVFQD DATA SEQUENCE IRGKYGSQGD YVMTRPPHGP LNPTKTDETT DAWDTVDWLV HNVPESNGRV DATA SEQUENCE GMTGSSYEGF TVVMALLDPH PALKVAAPES PMVDGWMGDD WFHYGAFRQG DATA SEQUENCE AFDYFVSQMT ARGGGNDIPR RDADDYTNFL KAGSAGSFAT QAGLDQYPFW DATA SEQUENCE QRMHAHPAYD AFWQGQALDK ILAQRKPTVP MLWEQGLWDQ EDMWGAIHAW DATA SEQUENCE QALKDADVKA PNTLVMGPWR HSGVNYNGST LGPLEFEGDT AHQYRRDVFR DATA SEQUENCE PFFDEYLKPG SASVHLPDAI IYNTGDQKWD YYRSWPSVCE SNCTGGLTPL DATA SEQUENCE YLADGHGLSF THPAADGADS YVSDPAHPVP FISRPFAFAQ SSRWKPWLVQ DATA SEQUENCE DQREAESRPD VVTYETEVLD EPVRVSGVPV ADLFAATSGT DSDWVVKLID DATA SEQUENCE VQPAMTPDDP KMGGYELPVS MDIFRGRYRK DFAKPEALQP DATLHYHFTL DATA SEQUENCE PAVNHVFAKG HRIMVQIQSS WFPLYDRNPQ KFVPNIFDAK PADYTVATQS DATA SEQUENCE IHHGGKEATS ILLPVVK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 50 H HA 0.000 nan 4.556 nan 0.000 0.296 50 H C 0.000 175.328 175.328 0.001 0.000 0.993 50 H CA 0.000 56.048 56.048 0.001 0.000 1.023 50 H CB 0.000 29.762 29.762 0.001 0.000 1.292 51 D N 4.653 125.058 120.400 0.009 0.000 2.358 51 D HA 0.133 4.773 4.640 0.000 0.000 0.258 51 D C -1.191 175.089 176.300 -0.034 0.000 1.223 51 D CA -2.001 51.979 54.000 -0.034 0.000 0.886 51 D CB 1.327 42.126 40.800 -0.002 0.000 1.120 51 D HN 0.283 nan 8.370 nan 0.000 0.482 52 P HA -0.085 nan 4.420 nan 0.000 0.223 52 P C 1.346 178.640 177.300 -0.011 0.000 1.151 52 P CA 0.629 63.702 63.100 -0.045 0.000 0.787 52 P CB 0.271 31.928 31.700 -0.072 0.000 0.788 53 L N -1.304 119.911 121.223 -0.012 0.000 2.610 53 L HA 0.076 4.416 4.340 0.000 0.000 0.232 53 L C 1.720 178.593 176.870 0.005 0.000 1.149 53 L CA 0.632 55.469 54.840 -0.004 0.000 0.872 53 L CB -0.323 41.731 42.059 -0.007 0.000 0.992 53 L HN -0.022 nan 8.230 nan 0.000 0.447 54 S N -2.078 113.629 115.700 0.012 0.000 2.882 54 S HA 0.180 4.650 4.470 0.000 0.000 0.258 54 S C 0.347 174.965 174.600 0.030 0.000 1.081 54 S CA -0.219 57.992 58.200 0.018 0.000 0.886 54 S CB 1.176 64.387 63.200 0.018 0.000 0.855 54 S HN -0.052 nan 8.310 nan 0.000 0.467 55 V N 3.160 123.103 119.914 0.048 0.000 2.384 55 V HA 0.574 4.694 4.120 0.000 0.000 0.287 55 V C -0.694 175.452 176.094 0.087 0.000 1.020 55 V CA -0.486 61.856 62.300 0.070 0.000 0.850 55 V CB 1.389 33.278 31.823 0.109 0.000 0.987 55 V HN 0.236 nan 8.190 nan 0.000 0.436 56 Q N 3.253 123.089 119.800 0.061 0.000 2.368 56 Q HA 0.415 4.755 4.340 0.000 0.000 0.263 56 Q C 0.585 176.615 176.000 0.049 0.000 1.009 56 Q CA -0.041 55.796 55.803 0.058 0.000 0.818 56 Q CB 1.636 30.394 28.738 0.034 0.000 1.239 56 Q HN 0.879 nan 8.270 nan 0.000 0.464 57 T N -0.077 114.516 114.554 0.064 0.000 3.054 57 T HA 0.442 4.793 4.350 0.000 0.000 0.255 57 T C 0.726 175.443 174.700 0.028 0.000 1.035 57 T CA 0.226 62.342 62.100 0.027 0.000 0.941 57 T CB 0.525 69.386 68.868 -0.012 0.000 1.026 57 T HN 0.447 nan 8.240 nan 0.000 0.533 58 G N 0.893 109.717 108.800 0.039 0.000 2.940 58 G HA2 0.570 4.530 3.960 0.000 0.000 0.164 58 G HA3 0.570 4.530 3.960 0.000 0.000 0.164 58 G C -0.973 173.940 174.900 0.021 0.000 1.326 58 G CA -0.618 44.499 45.100 0.030 0.000 1.020 58 G HN 0.315 nan 8.290 nan 0.000 0.586 59 S N -1.041 114.670 115.700 0.018 0.000 2.501 59 S HA 0.395 4.865 4.470 0.000 0.000 0.301 59 S C -0.054 174.554 174.600 0.013 0.000 1.096 59 S CA -0.585 57.623 58.200 0.014 0.000 1.063 59 S CB 1.579 64.785 63.200 0.011 0.000 1.042 59 S HN 0.349 nan 8.310 nan 0.000 0.494 60 D N 2.504 122.911 120.400 0.011 0.000 2.355 60 D HA 0.172 4.812 4.640 0.000 0.000 0.218 60 D C 0.070 176.375 176.300 0.008 0.000 1.004 60 D CA 0.593 54.599 54.000 0.010 0.000 0.880 60 D CB 0.049 40.854 40.800 0.009 0.000 0.911 60 D HN 0.506 nan 8.370 nan 0.000 0.528 61 I N 2.890 123.465 120.570 0.008 0.000 2.301 61 I HA 0.150 4.320 4.170 0.000 0.000 0.292 61 I C -1.533 174.588 176.117 0.008 0.000 1.046 61 I CA -1.674 59.631 61.300 0.008 0.000 1.282 61 I CB 0.958 38.962 38.000 0.007 0.000 1.409 61 I HN -0.207 nan 8.210 nan 0.000 0.484 73 R N 2.066 122.494 120.500 -0.120 0.000 2.679 73 R HA 0.042 4.383 4.340 0.000 0.000 0.269 73 R C 0.282 176.505 176.300 -0.128 0.000 1.076 73 R CA 0.714 56.699 56.100 -0.192 0.000 1.160 73 R CB 0.273 30.261 30.300 -0.521 0.000 1.054 73 R HN 0.136 nan 8.270 nan 0.000 0.507 74 D N 0.456 120.843 120.400 -0.022 0.000 2.388 74 D HA 0.012 4.652 4.640 0.000 0.000 0.221 74 D C -0.459 175.928 176.300 0.144 0.000 1.133 74 D CA -0.049 53.989 54.000 0.064 0.000 0.831 74 D CB -0.108 40.754 40.800 0.104 0.000 0.962 74 D HN 0.484 nan 8.370 nan 0.000 0.502 75 Y N -1.038 119.277 120.300 0.024 0.000 2.670 75 Y HA 0.585 5.135 4.550 0.000 0.000 0.334 75 Y C -1.220 174.696 175.900 0.028 0.000 1.185 75 Y CA -1.907 56.210 58.100 0.029 0.000 1.053 75 Y CB 1.026 39.508 38.460 0.037 0.000 1.298 75 Y HN -0.060 nan 8.280 nan 0.000 0.459 76 I N 0.265 120.947 120.570 0.187 0.000 2.569 76 I HA 0.688 4.858 4.170 0.000 0.000 0.296 76 I C -1.411 174.856 176.117 0.251 0.000 1.028 76 I CA -1.078 60.279 61.300 0.096 0.000 1.082 76 I CB 2.322 40.350 38.000 0.047 0.000 1.264 76 I HN 0.780 nan 8.210 nan 0.000 0.429 77 K N 5.578 126.100 120.400 0.203 0.000 2.323 77 K HA 0.578 4.898 4.320 0.000 0.000 0.259 77 K C -1.108 175.560 176.600 0.114 0.000 0.947 77 K CA -0.712 55.696 56.287 0.202 0.000 0.819 77 K CB 1.773 34.427 32.500 0.256 0.000 1.109 77 K HN 0.746 nan 8.250 nan 0.000 0.429 78 R N 2.795 123.346 120.500 0.086 0.000 2.494 78 R HA 0.250 4.590 4.340 0.000 0.000 0.305 78 R C -0.941 175.356 176.300 -0.005 0.000 0.959 78 R CA -0.726 55.407 56.100 0.054 0.000 0.864 78 R CB 1.936 32.279 30.300 0.070 0.000 1.159 78 R HN 0.596 nan 8.270 nan 0.000 0.446 79 E N 2.325 122.510 120.200 -0.026 0.000 2.145 79 E HA 0.395 4.745 4.350 0.000 0.000 0.270 79 E C -0.904 175.616 176.600 -0.134 0.000 0.906 79 E CA -0.697 55.613 56.400 -0.150 0.000 0.761 79 E CB 2.209 31.896 29.700 -0.021 0.000 1.116 79 E HN 0.137 nan 8.360 nan 0.000 0.408 80 V N 2.748 122.508 119.914 -0.256 0.000 2.962 80 V HA 0.401 4.521 4.120 0.000 0.000 0.313 80 V C -0.461 175.461 176.094 -0.287 0.000 1.099 80 V CA -1.077 61.096 62.300 -0.211 0.000 0.971 80 V CB 2.147 33.820 31.823 -0.251 0.000 1.028 80 V HN 0.694 nan 8.190 nan 0.000 0.430 81 M N 2.860 122.341 119.600 -0.198 0.000 2.055 81 M HA 0.403 4.883 4.480 0.000 0.000 0.346 81 M C -0.724 175.399 176.300 -0.294 0.000 1.074 81 M CA -0.403 54.800 55.300 -0.161 0.000 1.009 81 M CB 0.961 33.541 32.600 -0.033 0.000 1.423 81 M HN 0.384 nan 8.290 nan 0.000 0.410 82 V N 7.321 126.971 119.914 -0.440 0.000 2.408 82 V HA 0.263 4.383 4.120 0.000 0.000 0.267 82 V C -1.838 174.097 176.094 -0.264 0.000 1.047 82 V CA -1.200 60.721 62.300 -0.632 0.000 0.937 82 V CB 0.765 32.127 31.823 -0.769 0.000 0.999 82 V HN 0.556 nan 8.190 nan 0.000 0.472 83 P HA 0.283 nan 4.420 nan 0.000 0.280 83 P C -0.546 176.773 177.300 0.031 0.000 1.244 83 P CA -0.410 62.680 63.100 -0.017 0.000 0.784 83 P CB 0.940 32.664 31.700 0.039 0.000 0.913 84 M N 2.884 122.511 119.600 0.045 0.000 2.371 84 M HA 0.255 4.735 4.480 0.000 0.000 0.301 84 M C 2.110 178.457 176.300 0.077 0.000 1.173 84 M CA -0.630 54.715 55.300 0.075 0.000 1.020 84 M CB 0.396 33.038 32.600 0.070 0.000 1.490 84 M HN 0.411 nan 8.290 nan 0.000 0.485 85 R N 0.690 121.239 120.500 0.081 0.000 2.159 85 R HA -0.168 4.172 4.340 0.000 0.000 0.237 85 R C 0.392 176.715 176.300 0.040 0.000 1.131 85 R CA 1.952 58.087 56.100 0.058 0.000 0.982 85 R CB -0.593 29.727 30.300 0.032 0.000 0.868 85 R HN 0.677 nan 8.270 nan 0.000 0.453 86 D N -0.915 119.509 120.400 0.040 0.000 2.340 86 D HA 0.115 4.755 4.640 0.000 0.000 0.217 86 D C 1.107 177.428 176.300 0.036 0.000 1.081 86 D CA 0.449 54.469 54.000 0.034 0.000 0.842 86 D CB 0.531 41.351 40.800 0.034 0.000 0.934 86 D HN 0.419 nan 8.370 nan 0.000 0.511 87 G N -0.230 108.595 108.800 0.041 0.000 2.217 87 G HA2 -0.270 3.690 3.960 0.000 0.000 0.246 87 G HA3 -0.270 3.690 3.960 0.000 0.000 0.246 87 G C 0.208 175.130 174.900 0.036 0.000 0.990 87 G CA 0.131 45.254 45.100 0.038 0.000 0.627 87 G HN 0.369 nan 8.290 nan 0.000 0.522 88 V N 2.030 121.968 119.914 0.040 0.000 2.521 88 V HA 0.332 4.452 4.120 0.000 0.000 0.286 88 V C 0.732 176.845 176.094 0.032 0.000 1.034 88 V CA 0.321 62.645 62.300 0.040 0.000 1.045 88 V CB 1.220 33.073 31.823 0.051 0.000 0.974 88 V HN 0.339 nan 8.190 nan 0.000 0.480 89 K N 6.060 126.475 120.400 0.025 0.000 2.183 89 K HA 0.614 4.934 4.320 0.000 0.000 0.274 89 K C -0.981 175.629 176.600 0.017 0.000 1.009 89 K CA -0.446 55.843 56.287 0.003 0.000 0.888 89 K CB 1.419 33.919 32.500 0.000 0.000 1.078 89 K HN 0.497 nan 8.250 nan 0.000 0.459 90 L N 3.394 124.610 121.223 -0.012 0.000 2.307 90 L HA 0.326 4.666 4.340 0.000 0.000 0.284 90 L C -0.308 176.571 176.870 0.015 0.000 1.023 90 L CA -1.197 53.659 54.840 0.027 0.000 0.810 90 L CB 0.519 42.592 42.059 0.024 0.000 1.231 90 L HN 0.560 nan 8.230 nan 0.000 0.423 91 Y N 2.802 123.086 120.300 -0.027 0.000 2.544 91 Y HA 0.148 4.698 4.550 0.000 0.000 0.330 91 Y C -0.157 175.726 175.900 -0.028 0.000 1.136 91 Y CA 0.267 58.351 58.100 -0.026 0.000 1.417 91 Y CB 0.596 39.062 38.460 0.010 0.000 1.229 91 Y HN 0.518 nan 8.280 nan 0.000 0.532 92 T N 6.147 120.365 114.554 -0.561 0.000 2.881 92 T HA 0.500 4.850 4.350 0.000 0.000 0.290 92 T C -1.250 173.148 174.700 -0.502 0.000 1.000 92 T CA -0.750 61.112 62.100 -0.395 0.000 0.978 92 T CB 1.296 69.975 68.868 -0.314 0.000 0.997 92 T HN 0.379 nan 8.240 nan 0.000 0.443 93 V N 4.049 123.810 119.914 -0.254 0.000 2.384 93 V HA 0.547 4.667 4.120 0.000 0.000 0.287 93 V C -0.677 175.420 176.094 0.005 0.000 1.020 93 V CA -0.798 61.427 62.300 -0.126 0.000 0.850 93 V CB 0.969 32.806 31.823 0.023 0.000 0.987 93 V HN 0.758 nan 8.190 nan 0.000 0.436 94 I N 5.262 125.841 120.570 0.015 0.000 2.389 94 I HA 0.474 4.644 4.170 0.000 0.000 0.288 94 I C -0.254 175.913 176.117 0.083 0.000 0.999 94 I CA -0.407 60.926 61.300 0.055 0.000 1.129 94 I CB 2.006 40.048 38.000 0.070 0.000 1.288 94 I HN 0.292 nan 8.210 nan 0.000 0.444 95 V N 7.487 127.452 119.914 0.086 0.000 2.334 95 V HA 0.478 4.598 4.120 0.000 0.000 0.281 95 V C -0.039 176.111 176.094 0.094 0.000 1.016 95 V CA -0.417 61.941 62.300 0.096 0.000 0.832 95 V CB 1.087 32.925 31.823 0.025 0.000 0.999 95 V HN 0.478 nan 8.190 nan 0.000 0.439 96 I N 7.333 127.982 120.570 0.132 0.000 2.378 96 I HA 0.420 4.590 4.170 0.000 0.000 0.291 96 I C -2.417 173.781 176.117 0.137 0.000 0.992 96 I CA -2.239 59.126 61.300 0.107 0.000 1.154 96 I CB 2.424 40.473 38.000 0.082 0.000 1.315 96 I HN 0.388 nan 8.210 nan 0.000 0.448 97 P HA 0.074 nan 4.420 nan 0.000 0.268 97 P C -0.686 176.667 177.300 0.088 0.000 1.205 97 P CA -0.361 62.810 63.100 0.118 0.000 0.771 97 P CB 0.474 32.225 31.700 0.086 0.000 0.858 98 K N 2.571 123.021 120.400 0.084 0.000 2.489 98 K HA -0.046 4.274 4.320 0.000 0.000 0.278 98 K C 0.498 177.115 176.600 0.030 0.000 1.000 98 K CA 0.635 56.949 56.287 0.044 0.000 1.012 98 K CB -0.541 31.974 32.500 0.026 0.000 0.903 98 K HN 0.442 nan 8.250 nan 0.000 0.485 99 N N -0.243 118.467 118.700 0.017 0.000 2.741 99 N HA -0.244 4.496 4.740 0.000 0.000 0.251 99 N C -1.126 174.388 175.510 0.006 0.000 1.112 99 N CA 0.689 53.743 53.050 0.008 0.000 0.750 99 N CB -0.724 37.767 38.487 0.006 0.000 1.119 99 N HN 0.639 nan 8.380 nan 0.000 0.561 100 A N 0.585 123.411 122.820 0.010 0.000 2.401 100 A HA 0.629 4.949 4.320 0.000 0.000 0.259 100 A C 0.549 178.124 177.584 -0.014 0.000 1.103 100 A CA 0.204 52.241 52.037 0.001 0.000 0.789 100 A CB 0.599 19.605 19.000 0.011 0.000 1.035 100 A HN 0.352 nan 8.150 nan 0.000 0.491 101 R N 1.699 122.183 120.500 -0.027 0.000 2.522 101 R HA 0.375 4.715 4.340 0.000 0.000 0.283 101 R C -0.699 175.570 176.300 -0.052 0.000 1.074 101 R CA -0.315 55.763 56.100 -0.036 0.000 0.925 101 R CB 0.674 30.957 30.300 -0.029 0.000 1.205 101 R HN 0.982 nan 8.270 nan 0.000 0.436 102 N N 0.928 119.590 118.700 -0.063 0.000 2.758 102 N HA -0.236 4.504 4.740 0.000 0.000 0.248 102 N C -1.179 174.268 175.510 -0.105 0.000 1.076 102 N CA 0.721 53.723 53.050 -0.080 0.000 0.696 102 N CB -0.592 37.852 38.487 -0.072 0.000 0.979 102 N HN 0.565 nan 8.380 nan 0.000 0.550 103 A N 0.355 123.110 122.820 -0.108 0.000 2.301 103 A HA 0.671 4.991 4.320 0.000 0.000 0.312 103 A C -2.007 175.460 177.584 -0.193 0.000 1.182 103 A CA -1.375 50.570 52.037 -0.154 0.000 0.826 103 A CB 0.865 19.802 19.000 -0.104 0.000 1.134 103 A HN 0.054 nan 8.150 nan 0.000 0.501 104 P HA 0.333 nan 4.420 nan 0.000 0.274 104 P C -0.721 176.481 177.300 -0.165 0.000 1.237 104 P CA 0.049 62.969 63.100 -0.301 0.000 0.793 104 P CB 0.708 32.106 31.700 -0.504 0.000 0.977 105 I N 1.314 121.846 120.570 -0.063 0.000 2.377 105 I HA 0.289 4.459 4.170 0.000 0.000 0.293 105 I C 0.015 176.155 176.117 0.039 0.000 0.987 105 I CA -0.972 60.325 61.300 -0.005 0.000 1.185 105 I CB 1.556 39.533 38.000 -0.039 0.000 1.341 105 I HN 0.148 nan 8.210 nan 0.000 0.455 106 L N 7.626 128.856 121.223 0.011 0.000 2.298 106 L HA 0.553 4.893 4.340 0.000 0.000 0.284 106 L C -1.116 175.645 176.870 -0.181 0.000 1.013 106 L CA -0.415 54.362 54.840 -0.105 0.000 0.824 106 L CB 1.402 43.256 42.059 -0.341 0.000 1.221 106 L HN 0.467 nan 8.230 nan 0.000 0.418 107 L N 4.666 125.801 121.223 -0.147 0.000 2.346 107 L HA 0.821 5.161 4.340 0.000 0.000 0.276 107 L C -0.724 176.038 176.870 -0.180 0.000 1.006 107 L CA 0.352 55.090 54.840 -0.169 0.000 0.817 107 L CB 2.213 44.220 42.059 -0.088 0.000 1.272 107 L HN 0.667 nan 8.230 nan 0.000 0.421 108 T N 4.552 118.959 114.554 -0.246 0.000 2.971 108 T HA 0.567 4.917 4.350 0.000 0.000 0.304 108 T C -0.819 173.890 174.700 0.015 0.000 1.038 108 T CA -0.641 61.383 62.100 -0.127 0.000 1.007 108 T CB 1.392 70.125 68.868 -0.225 0.000 1.055 108 T HN 0.557 nan 8.240 nan 0.000 0.451 109 R N 1.452 122.021 120.500 0.115 0.000 2.445 109 R HA 0.784 5.124 4.340 0.000 0.000 0.308 109 R C -0.434 176.003 176.300 0.228 0.000 0.961 109 R CA -0.827 55.370 56.100 0.162 0.000 0.862 109 R CB 1.935 32.325 30.300 0.150 0.000 1.144 109 R HN 0.560 nan 8.270 nan 0.000 0.447 110 T N 1.761 116.441 114.554 0.210 0.000 2.900 110 T HA 0.426 4.776 4.350 0.000 0.000 0.303 110 T C -2.409 172.279 174.700 -0.020 0.000 1.142 110 T CA -1.948 60.242 62.100 0.151 0.000 1.007 110 T CB 1.935 70.948 68.868 0.242 0.000 1.156 110 T HN 0.361 nan 8.240 nan 0.000 0.490 111 P HA 0.257 nan 4.420 nan 0.000 0.268 111 P C -0.483 176.590 177.300 -0.378 0.000 1.329 111 P CA -0.045 62.763 63.100 -0.486 0.000 0.899 111 P CB -0.122 30.975 31.700 -1.005 0.000 1.378 112 Y N 0.474 120.787 120.300 0.021 0.000 2.774 112 Y HA 0.328 4.879 4.550 0.000 0.000 0.305 112 Y C 0.510 176.216 175.900 -0.322 0.000 1.067 112 Y CA -1.378 56.696 58.100 -0.043 0.000 1.304 112 Y CB -1.124 37.349 38.460 0.022 0.000 1.209 112 Y HN 0.060 nan 8.280 nan 0.000 0.543 113 N N 0.369 118.743 118.700 -0.543 0.000 2.556 113 N HA -0.210 4.530 4.740 0.000 0.000 0.276 113 N C 0.958 176.286 175.510 -0.303 0.000 1.259 113 N CA 0.218 52.773 53.050 -0.825 0.000 0.654 113 N CB -0.306 37.492 38.487 -1.149 0.000 0.889 113 N HN 0.538 nan 8.380 nan 0.000 0.547 114 A N 3.074 125.843 122.820 -0.086 0.000 1.927 114 A HA -0.249 4.071 4.320 0.000 0.000 0.220 114 A C 1.963 179.552 177.584 0.008 0.000 1.185 114 A CA 2.039 54.106 52.037 0.050 0.000 0.639 114 A CB -0.339 18.814 19.000 0.255 0.000 0.820 114 A HN 0.762 nan 8.150 nan 0.000 0.451 115 K N -0.885 119.557 120.400 0.072 0.000 2.063 115 K HA -0.127 4.193 4.320 0.000 0.000 0.208 115 K C 2.035 178.595 176.600 -0.067 0.000 1.048 115 K CA 1.508 57.838 56.287 0.071 0.000 0.928 115 K CB -0.516 31.995 32.500 0.017 0.000 0.713 115 K HN 0.412 nan 8.250 nan 0.000 0.442 116 G N 0.902 109.612 108.800 -0.151 0.000 2.394 116 G HA2 -0.195 3.765 3.960 0.000 0.000 0.215 116 G HA3 -0.195 3.765 3.960 0.000 0.000 0.215 116 G C 1.422 176.195 174.900 -0.212 0.000 1.165 116 G CA 0.108 45.112 45.100 -0.160 0.000 0.784 116 G HN 0.164 nan 8.290 nan 0.000 0.535 117 R N 0.985 121.291 120.500 -0.322 0.000 2.105 117 R HA -0.041 4.299 4.340 0.000 0.000 0.239 117 R C 2.386 178.288 176.300 -0.663 0.000 1.135 117 R CA 1.216 56.981 56.100 -0.558 0.000 0.967 117 R CB -0.892 28.873 30.300 -0.891 0.000 0.861 117 R HN 0.346 nan 8.270 nan 0.000 0.442 118 A N 0.767 123.274 122.820 -0.521 0.000 2.411 118 A HA 0.101 4.421 4.320 0.000 0.000 0.251 118 A C 0.220 177.726 177.584 -0.129 0.000 1.317 118 A CA -0.090 51.788 52.037 -0.265 0.000 0.904 118 A CB -0.041 18.927 19.000 -0.054 0.000 0.993 118 A HN 0.088 nan 8.150 nan 0.000 0.504 119 N N 0.067 118.688 118.700 -0.132 0.000 2.646 119 N HA 0.104 4.844 4.740 0.000 0.000 0.303 119 N C 1.035 176.506 175.510 -0.064 0.000 1.921 119 N CA -0.281 52.729 53.050 -0.067 0.000 0.872 119 N CB 0.272 38.737 38.487 -0.038 0.000 1.327 119 N HN 0.389 nan 8.380 nan 0.000 0.492 120 R N -0.192 120.266 120.500 -0.070 0.000 2.094 120 R HA -0.003 4.337 4.340 0.000 0.000 0.239 120 R C -0.210 176.079 176.300 -0.019 0.000 1.137 120 R CA 1.344 57.419 56.100 -0.042 0.000 0.943 120 R CB -0.018 30.264 30.300 -0.030 0.000 0.850 120 R HN 0.004 nan 8.270 nan 0.000 0.433 121 V N 4.571 124.479 119.914 -0.010 0.000 2.311 121 V HA 0.249 4.369 4.120 0.000 0.000 0.275 121 V C -2.236 173.867 176.094 0.015 0.000 1.022 121 V CA -1.865 60.439 62.300 0.007 0.000 0.830 121 V CB 1.456 33.289 31.823 0.016 0.000 1.012 121 V HN 0.247 nan 8.190 nan 0.000 0.452 122 P HA 0.023 nan 4.420 nan 0.000 0.260 122 P C 0.229 177.560 177.300 0.051 0.000 1.185 122 P CA 0.520 63.635 63.100 0.025 0.000 0.763 122 P CB -0.146 31.564 31.700 0.016 0.000 0.776 123 N N -0.294 118.453 118.700 0.079 0.000 2.735 123 N HA -0.197 4.543 4.740 0.000 0.000 0.248 123 N C 0.233 175.826 175.510 0.137 0.000 1.083 123 N CA 0.322 53.443 53.050 0.119 0.000 0.703 123 N CB -1.307 37.225 38.487 0.075 0.000 1.005 123 N HN 0.618 nan 8.380 nan 0.000 0.550 124 A N -0.061 122.852 122.820 0.154 0.000 2.429 124 A HA 0.274 4.594 4.320 0.000 0.000 0.242 124 A C 1.372 179.093 177.584 0.229 0.000 1.088 124 A CA 0.002 52.128 52.037 0.149 0.000 0.784 124 A CB 0.292 19.358 19.000 0.110 0.000 1.038 124 A HN 0.355 nan 8.150 nan 0.000 0.501 125 L N 0.162 121.476 121.223 0.152 0.000 2.418 125 L HA 0.070 4.410 4.340 0.000 0.000 0.218 125 L C 1.158 178.143 176.870 0.192 0.000 1.125 125 L CA 1.079 55.990 54.840 0.118 0.000 0.835 125 L CB -0.736 41.356 42.059 0.056 0.000 0.953 125 L HN 0.904 nan 8.230 nan 0.000 0.454 126 T N -4.695 110.001 114.554 0.237 0.000 2.908 126 T HA 0.298 4.648 4.350 0.000 0.000 0.290 126 T C 0.564 175.381 174.700 0.195 0.000 1.034 126 T CA -0.691 61.545 62.100 0.226 0.000 1.010 126 T CB 2.441 71.375 68.868 0.110 0.000 1.068 126 T HN -0.029 nan 8.240 nan 0.000 0.481 127 M N 0.601 120.283 119.600 0.136 0.000 2.229 127 M HA 0.047 4.527 4.480 0.000 0.000 0.264 127 M C 2.373 178.616 176.300 -0.096 0.000 1.063 127 M CA 1.313 56.518 55.300 -0.157 0.000 1.114 127 M CB -0.208 32.365 32.600 -0.044 0.000 1.387 127 M HN 0.747 nan 8.290 nan 0.000 0.420 128 R N 0.752 121.245 120.500 -0.011 0.000 2.091 128 R HA -0.165 4.175 4.340 0.000 0.000 0.238 128 R C 1.613 177.904 176.300 -0.014 0.000 1.136 128 R CA 2.274 58.370 56.100 -0.007 0.000 0.959 128 R CB -0.409 29.897 30.300 0.011 0.000 0.856 128 R HN 0.521 nan 8.270 nan 0.000 0.437 129 E N -0.971 119.227 120.200 -0.004 0.000 2.152 129 E HA -0.098 4.252 4.350 0.000 0.000 0.192 129 E C 1.857 178.441 176.600 -0.027 0.000 0.983 129 E CA 1.051 57.450 56.400 -0.001 0.000 0.818 129 E CB -0.001 29.715 29.700 0.027 0.000 0.758 129 E HN 0.144 nan 8.360 nan 0.000 0.467 130 V N 1.079 120.944 119.914 -0.081 0.000 2.591 130 V HA -0.039 4.081 4.120 0.000 0.000 0.249 130 V C 0.842 176.871 176.094 -0.109 0.000 1.053 130 V CA 0.789 63.014 62.300 -0.125 0.000 1.068 130 V CB 0.040 31.680 31.823 -0.306 0.000 0.689 130 V HN 0.064 nan 8.190 nan 0.000 0.462 131 L N 0.730 121.901 121.223 -0.088 0.000 2.399 131 L HA 0.407 4.747 4.340 0.000 0.000 0.265 131 L C -2.126 174.742 176.870 -0.003 0.000 1.089 131 L CA -1.988 52.840 54.840 -0.021 0.000 0.802 131 L CB 0.600 42.671 42.059 0.020 0.000 1.180 131 L HN 0.018 nan 8.230 nan 0.000 0.454 132 P HA -0.057 nan 4.420 nan 0.000 0.270 132 P C 0.050 177.347 177.300 -0.005 0.000 1.227 132 P CA -0.125 62.981 63.100 0.011 0.000 0.788 132 P CB 0.462 32.178 31.700 0.027 0.000 0.926 133 Q N 1.310 121.096 119.800 -0.024 0.000 2.135 133 Q HA -0.164 4.176 4.340 0.000 0.000 0.204 133 Q C 1.988 177.941 176.000 -0.078 0.000 0.981 133 Q CA 2.228 58.008 55.803 -0.038 0.000 0.856 133 Q CB -0.986 27.750 28.738 -0.004 0.000 0.902 133 Q HN 0.696 nan 8.270 nan 0.000 0.425 134 G N -0.124 108.586 108.800 -0.149 0.000 2.509 134 G HA2 -0.191 3.769 3.960 0.000 0.000 0.218 134 G HA3 -0.191 3.769 3.960 0.000 0.000 0.218 134 G C 0.549 175.444 174.900 -0.008 0.000 1.124 134 G CA 0.839 45.871 45.100 -0.114 0.000 0.776 134 G HN 0.369 nan 8.290 nan 0.000 0.547 135 D N 0.761 121.172 120.400 0.017 0.000 2.339 135 D HA 0.041 4.681 4.640 0.000 0.000 0.217 135 D C 1.935 178.252 176.300 0.028 0.000 1.050 135 D CA 0.465 54.509 54.000 0.074 0.000 0.856 135 D CB 0.098 40.941 40.800 0.072 0.000 0.922 135 D HN 0.398 nan 8.370 nan 0.000 0.518 136 D N 0.751 121.137 120.400 -0.023 0.000 2.133 136 D HA -0.206 4.434 4.640 0.000 0.000 0.192 136 D C 2.035 178.270 176.300 -0.109 0.000 1.001 136 D CA 1.602 55.578 54.000 -0.039 0.000 0.844 136 D CB -0.914 39.880 40.800 -0.010 0.000 0.944 136 D HN 0.290 nan 8.370 nan 0.000 0.447 137 V N -2.830 116.926 119.914 -0.263 0.000 2.970 137 V HA -0.020 4.100 4.120 0.000 0.000 0.260 137 V C 2.105 177.840 176.094 -0.598 0.000 1.100 137 V CA 0.903 62.925 62.300 -0.463 0.000 1.122 137 V CB -1.152 30.250 31.823 -0.701 0.000 0.721 137 V HN -0.016 nan 8.190 nan 0.000 0.483 138 F N 0.104 119.855 119.950 -0.332 0.000 2.473 138 F HA 0.222 4.749 4.527 0.000 0.000 0.294 138 F C 2.276 178.016 175.800 -0.100 0.000 1.103 138 F CA 0.935 58.693 58.000 -0.403 0.000 1.442 138 F CB -0.419 38.196 39.000 -0.641 0.000 1.097 138 F HN -0.011 nan 8.300 nan 0.000 0.547 139 V N -0.083 119.867 119.914 0.061 0.000 2.453 139 V HA -0.204 3.916 4.120 0.000 0.000 0.247 139 V C 1.986 178.112 176.094 0.052 0.000 1.048 139 V CA 1.716 64.055 62.300 0.065 0.000 1.049 139 V CB -0.504 31.336 31.823 0.029 0.000 0.672 139 V HN 0.282 nan 8.190 nan 0.000 0.457 140 E N 0.455 120.657 120.200 0.003 0.000 2.204 140 E HA -0.090 4.260 4.350 0.000 0.000 0.194 140 E C 2.138 178.753 176.600 0.024 0.000 0.989 140 E CA 1.021 57.420 56.400 -0.002 0.000 0.824 140 E CB -0.271 29.406 29.700 -0.039 0.000 0.756 140 E HN 0.629 nan 8.360 nan 0.000 0.477 141 G N -0.143 108.696 108.800 0.064 0.000 2.985 141 G HA2 0.163 4.123 3.960 0.000 0.000 0.209 141 G HA3 0.163 4.123 3.960 0.000 0.000 0.209 141 G C 0.979 176.012 174.900 0.221 0.000 1.165 141 G CA 0.142 45.341 45.100 0.164 0.000 0.776 141 G HN 0.349 nan 8.290 nan 0.000 0.541 142 G N -1.010 107.906 108.800 0.192 0.000 2.182 142 G HA2 -0.293 3.667 3.960 0.000 0.000 0.248 142 G HA3 -0.293 3.667 3.960 0.000 0.000 0.248 142 G C 0.031 175.013 174.900 0.137 0.000 1.042 142 G CA -0.075 45.101 45.100 0.127 0.000 0.775 142 G HN 0.353 nan 8.290 nan 0.000 0.501 143 Y N -0.665 119.668 120.300 0.055 0.000 2.300 143 Y HA 0.611 5.161 4.550 0.000 0.000 0.328 143 Y C 1.479 177.387 175.900 0.014 0.000 1.270 143 Y CA -0.767 57.359 58.100 0.043 0.000 1.352 143 Y CB 0.637 39.141 38.460 0.074 0.000 1.286 143 Y HN 0.186 nan 8.280 nan 0.000 0.536 144 I N 2.671 123.312 120.570 0.118 0.000 2.440 144 I HA 0.318 4.488 4.170 0.000 0.000 0.294 144 I C -0.165 175.985 176.117 0.055 0.000 0.995 144 I CA -0.650 60.690 61.300 0.066 0.000 1.306 144 I CB 1.166 39.179 38.000 0.023 0.000 1.407 144 I HN 0.395 nan 8.210 nan 0.000 0.501 145 R N 4.648 125.163 120.500 0.025 0.000 2.562 145 R HA 0.711 5.051 4.340 0.000 0.000 0.298 145 R C -1.765 174.506 176.300 -0.048 0.000 0.961 145 R CA -0.521 55.551 56.100 -0.046 0.000 0.881 145 R CB 1.603 31.897 30.300 -0.009 0.000 1.159 145 R HN 0.388 nan 8.270 nan 0.000 0.450 146 V N 5.195 125.010 119.914 -0.165 0.000 2.638 146 V HA 0.549 4.669 4.120 0.000 0.000 0.306 146 V C -1.088 174.841 176.094 -0.275 0.000 1.052 146 V CA -0.624 61.610 62.300 -0.110 0.000 0.885 146 V CB 1.649 33.432 31.823 -0.067 0.000 0.999 146 V HN 0.621 nan 8.190 nan 0.000 0.424 147 F N 2.836 122.782 119.950 -0.007 0.000 2.520 147 F HA 0.678 5.205 4.527 0.000 0.000 0.322 147 F C 0.101 175.905 175.800 0.006 0.000 1.103 147 F CA -0.316 57.692 58.000 0.014 0.000 0.926 147 F CB 2.049 41.064 39.000 0.025 0.000 1.154 147 F HN 0.416 nan 8.300 nan 0.000 0.453 148 Q N 2.434 122.356 119.800 0.203 0.000 2.331 148 Q HA 0.286 4.626 4.340 0.000 0.000 0.272 148 Q C -1.814 174.292 176.000 0.177 0.000 1.062 148 Q CA -0.949 54.934 55.803 0.133 0.000 0.806 148 Q CB 1.979 30.752 28.738 0.059 0.000 1.312 148 Q HN 0.501 nan 8.270 nan 0.000 0.431 149 D N 4.196 124.714 120.400 0.196 0.000 2.312 149 D HA 0.213 4.853 4.640 0.000 0.000 0.252 149 D C 0.449 176.840 176.300 0.151 0.000 1.150 149 D CA -0.011 54.098 54.000 0.182 0.000 0.870 149 D CB 0.604 41.536 40.800 0.220 0.000 1.153 149 D HN 0.548 nan 8.370 nan 0.000 0.457 150 I N -0.973 119.682 120.570 0.141 0.000 3.060 150 I HA 0.188 4.358 4.170 0.000 0.000 0.285 150 I C 0.858 177.077 176.117 0.169 0.000 1.190 150 I CA -0.843 60.560 61.300 0.171 0.000 1.363 150 I CB 0.651 38.790 38.000 0.233 0.000 1.396 150 I HN 0.153 nan 8.210 nan 0.000 0.607 151 R N 2.958 123.572 120.500 0.190 0.000 2.485 151 R HA 0.093 4.433 4.340 0.000 0.000 0.304 151 R C 0.989 177.422 176.300 0.222 0.000 0.934 151 R CA 1.283 57.489 56.100 0.177 0.000 1.102 151 R CB -0.348 30.055 30.300 0.172 0.000 0.906 151 R HN 1.165 nan 8.270 nan 0.000 0.407 152 G N 3.058 111.948 108.800 0.149 0.000 2.159 152 G HA2 -0.223 3.737 3.960 0.000 0.000 0.256 152 G HA3 -0.223 3.737 3.960 0.000 0.000 0.256 152 G C -0.445 174.447 174.900 -0.014 0.000 0.977 152 G CA 0.201 45.378 45.100 0.127 0.000 0.652 152 G HN 0.522 nan 8.290 nan 0.000 0.531 153 K N -0.720 119.652 120.400 -0.047 0.000 2.324 153 K HA 0.651 4.971 4.320 0.000 0.000 0.253 153 K C 0.861 177.461 176.600 0.000 0.000 0.932 153 K CA -0.818 55.372 56.287 -0.163 0.000 0.799 153 K CB 1.568 33.945 32.500 -0.206 0.000 1.154 153 K HN 0.188 nan 8.250 nan 0.000 0.425 154 Y N 0.344 120.567 120.300 -0.129 0.000 2.817 154 Y HA -0.458 4.092 4.550 0.000 0.000 0.471 154 Y C 1.801 177.620 175.900 -0.135 0.000 1.142 154 Y CA 2.101 60.125 58.100 -0.126 0.000 2.725 154 Y CB -1.453 36.932 38.460 -0.125 0.000 1.169 154 Y HN 0.791 nan 8.280 nan 0.000 0.619 155 G N -0.113 108.690 108.800 0.005 0.000 2.712 155 G HA2 0.187 4.147 3.960 0.000 0.000 0.212 155 G HA3 0.187 4.147 3.960 0.000 0.000 0.212 155 G C 0.257 175.182 174.900 0.042 0.000 1.142 155 G CA 0.753 45.777 45.100 -0.127 0.000 0.789 155 G HN 0.298 nan 8.290 nan 0.000 0.535 156 S N 0.227 115.982 115.700 0.091 0.000 2.601 156 S HA 0.366 4.836 4.470 0.000 0.000 0.271 156 S C 0.285 174.920 174.600 0.058 0.000 1.305 156 S CA -0.483 57.777 58.200 0.099 0.000 1.022 156 S CB 1.445 64.714 63.200 0.115 0.000 0.940 156 S HN 0.428 nan 8.310 nan 0.000 0.525 157 Q N 0.215 120.050 119.800 0.058 0.000 2.222 157 Q HA 0.633 4.973 4.340 0.000 0.000 0.211 157 Q C 0.554 176.589 176.000 0.058 0.000 1.013 157 Q CA -0.295 55.535 55.803 0.045 0.000 0.993 157 Q CB 0.659 29.421 28.738 0.041 0.000 1.151 157 Q HN 0.970 nan 8.270 nan 0.000 0.544 158 G N 0.623 109.456 108.800 0.054 0.000 2.661 158 G HA2 -0.137 3.823 3.960 0.000 0.000 0.685 158 G HA3 -0.137 3.823 3.960 0.000 0.000 0.685 158 G C -1.563 173.386 174.900 0.082 0.000 1.298 158 G CA -0.875 44.266 45.100 0.068 0.000 0.855 158 G HN 0.544 nan 8.290 nan 0.000 0.560 159 D N -0.268 120.185 120.400 0.088 0.000 2.210 159 D HA 0.455 5.095 4.640 0.000 0.000 0.249 159 D C -0.193 176.198 176.300 0.153 0.000 1.078 159 D CA 0.154 54.213 54.000 0.098 0.000 0.875 159 D CB 1.292 42.133 40.800 0.067 0.000 1.175 159 D HN 0.488 nan 8.370 nan 0.000 0.440 160 Y N 1.934 122.255 120.300 0.035 0.000 2.326 160 Y HA 0.389 4.939 4.550 0.000 0.000 0.337 160 Y C -0.886 175.055 175.900 0.068 0.000 1.023 160 Y CA -0.479 57.649 58.100 0.048 0.000 1.143 160 Y CB 0.751 39.218 38.460 0.011 0.000 1.183 160 Y HN 0.049 nan 8.280 nan 0.000 0.485 161 V N 8.188 127.763 119.914 -0.566 0.000 2.487 161 V HA 0.198 4.318 4.120 0.000 0.000 0.298 161 V C -0.108 175.536 176.094 -0.749 0.000 1.028 161 V CA -1.030 60.998 62.300 -0.453 0.000 0.860 161 V CB 1.403 33.157 31.823 -0.115 0.000 0.991 161 V HN 0.876 nan 8.190 nan 0.000 0.427 162 M N 5.538 124.765 119.600 -0.622 0.000 2.269 162 M HA 0.202 4.682 4.480 0.000 0.000 0.350 162 M C 0.898 177.103 176.300 -0.159 0.000 1.429 162 M CA 0.712 55.741 55.300 -0.452 0.000 1.063 162 M CB -0.325 31.749 32.600 -0.876 0.000 1.841 162 M HN 1.128 nan 8.290 nan 0.000 0.455 163 T N 2.507 117.034 114.554 -0.047 0.000 3.361 163 T HA -0.251 4.099 4.350 0.000 0.000 0.417 163 T C 0.125 174.888 174.700 0.104 0.000 0.769 163 T CA 0.923 62.814 62.100 -0.349 0.000 2.085 163 T CB -1.578 67.041 68.868 -0.415 0.000 1.689 163 T HN 0.966 nan 8.240 nan 0.000 0.639 164 R N 1.970 122.616 120.500 0.243 0.000 2.501 164 R HA 0.148 4.488 4.340 0.000 0.000 0.319 164 R C -2.011 174.455 176.300 0.277 0.000 0.913 164 R CA -1.032 55.201 56.100 0.221 0.000 1.104 164 R CB 0.218 30.640 30.300 0.203 0.000 0.901 164 R HN 0.363 nan 8.270 nan 0.000 0.407 165 P HA 0.104 nan 4.420 nan 0.000 0.272 165 P C -2.460 174.909 177.300 0.115 0.000 1.230 165 P CA -1.163 62.011 63.100 0.123 0.000 0.788 165 P CB 0.311 32.020 31.700 0.015 0.000 0.949 166 P HA 0.053 nan 4.420 nan 0.000 0.274 166 P C -0.400 176.957 177.300 0.095 0.000 1.256 166 P CA -0.084 63.076 63.100 0.100 0.000 0.795 166 P CB 0.162 31.914 31.700 0.086 0.000 1.038 167 H N -0.439 118.649 119.070 0.029 0.000 3.034 167 H HA 0.376 4.932 4.556 0.000 0.000 0.324 167 H C 0.794 176.128 175.328 0.011 0.000 1.015 167 H CA 2.306 58.364 56.048 0.018 0.000 1.429 167 H CB -0.549 29.219 29.762 0.010 0.000 1.429 167 H HN 0.778 nan 8.280 nan 0.000 0.585 168 G N 3.883 112.383 108.800 -0.501 0.000 2.398 168 G HA2 -0.065 3.895 3.960 0.000 0.000 0.251 168 G HA3 -0.065 3.895 3.960 0.000 0.000 0.251 168 G C -2.053 172.699 174.900 -0.246 0.000 1.277 168 G CA -0.330 44.567 45.100 -0.339 0.000 0.927 168 G HN 0.458 nan 8.290 nan 0.000 0.477 169 P HA 0.073 nan 4.420 nan 0.000 0.222 169 P C 1.498 178.749 177.300 -0.081 0.000 1.147 169 P CA 0.948 63.986 63.100 -0.104 0.000 0.790 169 P CB 0.139 31.790 31.700 -0.082 0.000 0.780 170 L N -1.887 119.286 121.223 -0.083 0.000 2.640 170 L HA 0.247 4.587 4.340 0.000 0.000 0.230 170 L C 0.620 177.476 176.870 -0.023 0.000 1.123 170 L CA 0.136 54.946 54.840 -0.050 0.000 0.900 170 L CB -0.285 41.718 42.059 -0.094 0.000 1.146 170 L HN -0.034 nan 8.230 nan 0.000 0.484 171 N N 0.187 118.860 118.700 -0.046 0.000 2.827 171 N HA 0.137 4.877 4.740 0.000 0.000 0.240 171 N C -2.391 173.097 175.510 -0.037 0.000 1.352 171 N CA -0.998 52.049 53.050 -0.006 0.000 0.760 171 N CB 1.259 39.771 38.487 0.041 0.000 1.426 171 N HN -0.251 nan 8.380 nan 0.000 0.561 172 P HA 0.052 nan 4.420 nan 0.000 0.249 172 P C 0.473 177.846 177.300 0.123 0.000 1.229 172 P CA 0.275 63.367 63.100 -0.013 0.000 0.788 172 P CB -0.142 31.551 31.700 -0.013 0.000 1.072 173 T N -2.164 112.470 114.554 0.132 0.000 2.698 173 T HA 0.162 4.513 4.350 0.000 0.000 0.295 173 T C 1.171 175.961 174.700 0.151 0.000 1.007 173 T CA -0.295 61.877 62.100 0.121 0.000 0.980 173 T CB 0.795 69.716 68.868 0.088 0.000 1.036 173 T HN -0.158 nan 8.240 nan 0.000 0.526 174 K N 0.555 120.992 120.400 0.061 0.000 2.444 174 K HA 0.137 4.457 4.320 0.000 0.000 0.193 174 K C 0.979 177.566 176.600 -0.022 0.000 1.024 174 K CA 0.254 56.530 56.287 -0.018 0.000 1.077 174 K CB -0.054 32.431 32.500 -0.025 0.000 0.833 174 K HN 0.911 nan 8.250 nan 0.000 0.517 175 T N -0.677 113.899 114.554 0.037 0.000 2.906 175 T HA 0.540 4.890 4.350 0.000 0.000 0.295 175 T C -0.856 173.895 174.700 0.085 0.000 1.075 175 T CA -0.857 61.272 62.100 0.048 0.000 1.005 175 T CB 2.674 71.577 68.868 0.058 0.000 1.136 175 T HN 0.063 nan 8.240 nan 0.000 0.498 176 D N -0.493 119.960 120.400 0.090 0.000 2.946 176 D HA 0.276 4.916 4.640 0.000 0.000 0.337 176 D C 0.518 176.888 176.300 0.117 0.000 1.332 176 D CA -0.669 53.398 54.000 0.112 0.000 0.935 176 D CB 0.069 40.940 40.800 0.118 0.000 1.440 176 D HN 0.360 nan 8.370 nan 0.000 0.540 177 E N -0.659 119.614 120.200 0.120 0.000 2.347 177 E HA -0.016 4.334 4.350 0.000 0.000 0.196 177 E C 1.365 178.016 176.600 0.084 0.000 1.008 177 E CA 1.101 57.567 56.400 0.111 0.000 0.852 177 E CB -0.273 29.478 29.700 0.086 0.000 0.783 177 E HN 0.556 nan 8.360 nan 0.000 0.505 178 T N 0.500 115.102 114.554 0.080 0.000 2.851 178 T HA -0.097 4.253 4.350 0.000 0.000 0.262 178 T C 2.148 176.944 174.700 0.161 0.000 1.043 178 T CA 1.800 63.962 62.100 0.103 0.000 1.140 178 T CB -0.253 68.667 68.868 0.086 0.000 0.872 178 T HN 0.380 nan 8.240 nan 0.000 0.446 179 T N 0.649 115.276 114.554 0.122 0.000 2.857 179 T HA -0.092 4.258 4.350 0.000 0.000 0.266 179 T C 1.537 176.354 174.700 0.196 0.000 1.048 179 T CA 1.021 63.197 62.100 0.128 0.000 1.139 179 T CB -0.412 68.474 68.868 0.029 0.000 0.874 179 T HN 0.107 nan 8.240 nan 0.000 0.455 180 D N 2.063 122.557 120.400 0.156 0.000 2.144 180 D HA 0.074 4.714 4.640 0.000 0.000 0.199 180 D C 2.426 178.823 176.300 0.162 0.000 0.984 180 D CA 1.444 55.535 54.000 0.151 0.000 0.834 180 D CB -0.603 40.276 40.800 0.132 0.000 0.955 180 D HN 0.586 nan 8.370 nan 0.000 0.465 181 A N -0.295 122.623 122.820 0.164 0.000 1.968 181 A HA -0.118 4.202 4.320 0.000 0.000 0.217 181 A C 2.126 179.808 177.584 0.164 0.000 1.169 181 A CA 0.864 52.981 52.037 0.134 0.000 0.638 181 A CB -1.002 18.063 19.000 0.109 0.000 0.812 181 A HN 0.348 nan 8.150 nan 0.000 0.446 182 W N 1.129 122.474 121.300 0.075 0.000 2.378 182 W HA -0.148 4.512 4.660 0.000 0.000 0.313 182 W C 1.384 177.969 176.519 0.111 0.000 1.197 182 W CA 1.821 59.240 57.345 0.123 0.000 1.304 182 W CB 0.073 29.610 29.460 0.128 0.000 1.148 182 W HN 0.353 nan 8.180 nan 0.000 0.494 183 D N -0.866 119.835 120.400 0.502 0.000 2.178 183 D HA -0.153 4.487 4.640 0.000 0.000 0.201 183 D C 2.098 178.514 176.300 0.194 0.000 0.980 183 D CA 1.917 56.146 54.000 0.382 0.000 0.842 183 D CB -0.744 40.230 40.800 0.290 0.000 0.948 183 D HN 0.152 nan 8.370 nan 0.000 0.472 184 T N 0.354 114.978 114.554 0.118 0.000 2.737 184 T HA -0.067 4.283 4.350 0.000 0.000 0.265 184 T C 2.270 176.982 174.700 0.021 0.000 1.038 184 T CA 0.646 62.787 62.100 0.068 0.000 1.144 184 T CB -0.244 68.645 68.868 0.036 0.000 0.866 184 T HN -0.027 nan 8.240 nan 0.000 0.434 185 V N 1.774 121.605 119.914 -0.138 0.000 2.407 185 V HA -0.169 3.951 4.120 0.000 0.000 0.248 185 V C 2.361 178.148 176.094 -0.511 0.000 1.055 185 V CA 1.877 63.976 62.300 -0.335 0.000 1.049 185 V CB -0.605 30.940 31.823 -0.463 0.000 0.662 185 V HN 0.453 nan 8.190 nan 0.000 0.455 186 D N -1.273 118.770 120.400 -0.595 0.000 2.117 186 D HA -0.249 4.391 4.640 0.000 0.000 0.197 186 D C 1.866 178.190 176.300 0.041 0.000 0.987 186 D CA 1.483 55.265 54.000 -0.364 0.000 0.829 186 D CB -0.221 40.516 40.800 -0.105 0.000 0.961 186 D HN 0.545 nan 8.370 nan 0.000 0.460 187 W N 0.585 121.848 121.300 -0.061 0.000 2.358 187 W HA -0.098 4.562 4.660 0.000 0.000 0.303 187 W C 1.924 178.432 176.519 -0.018 0.000 1.208 187 W CA 1.171 58.514 57.345 -0.003 0.000 1.274 187 W CB -0.191 29.267 29.460 -0.003 0.000 1.138 187 W HN 0.018 nan 8.180 nan 0.000 0.515 188 L N 0.028 121.395 121.223 0.240 0.000 2.027 188 L HA -0.209 4.131 4.340 0.000 0.000 0.206 188 L C 2.506 179.300 176.870 -0.127 0.000 1.074 188 L CA 1.526 56.431 54.840 0.108 0.000 0.745 188 L CB -1.416 40.696 42.059 0.088 0.000 0.898 188 L HN 0.034 nan 8.230 nan 0.000 0.433 189 V N -3.857 115.946 119.914 -0.185 0.000 2.913 189 V HA -0.198 3.922 4.120 0.000 0.000 0.260 189 V C 1.541 177.389 176.094 -0.411 0.000 1.098 189 V CA 1.492 63.622 62.300 -0.284 0.000 1.121 189 V CB -0.973 30.659 31.823 -0.319 0.000 0.714 189 V HN 0.473 nan 8.190 nan 0.000 0.487 190 H N 0.205 119.116 119.070 -0.264 0.000 2.705 190 H HA 0.380 4.936 4.556 0.000 0.000 0.269 190 H C 0.919 175.992 175.328 -0.425 0.000 0.998 190 H CA 0.665 56.542 56.048 -0.286 0.000 1.193 190 H CB 0.264 29.878 29.762 -0.248 0.000 1.485 190 H HN 0.526 nan 8.280 nan 0.000 0.521 191 N N -0.339 118.050 118.700 -0.517 0.000 2.240 191 N HA 0.169 4.910 4.740 0.000 0.000 0.240 191 N C -1.240 174.023 175.510 -0.411 0.000 1.277 191 N CA 0.089 52.728 53.050 -0.685 0.000 0.873 191 N CB 2.228 39.705 38.487 -1.683 0.000 1.222 191 N HN -0.107 nan 8.380 nan 0.000 0.507 192 V N 1.682 121.452 119.914 -0.241 0.000 2.380 192 V HA 0.273 4.393 4.120 0.000 0.000 0.268 192 V C -1.880 174.153 176.094 -0.102 0.000 1.008 192 V CA -1.124 61.110 62.300 -0.110 0.000 0.823 192 V CB 1.629 33.422 31.823 -0.049 0.000 1.053 192 V HN -0.030 nan 8.190 nan 0.000 0.446 193 P HA -0.097 nan 4.420 nan 0.000 0.221 193 P C 1.127 178.391 177.300 -0.061 0.000 1.145 193 P CA 0.994 64.048 63.100 -0.076 0.000 0.795 193 P CB 0.461 32.126 31.700 -0.058 0.000 0.775 194 E N -0.508 119.664 120.200 -0.046 0.000 2.427 194 E HA -0.023 4.327 4.350 0.000 0.000 0.196 194 E C 0.910 177.477 176.600 -0.054 0.000 1.028 194 E CA 0.258 56.635 56.400 -0.038 0.000 0.864 194 E CB -0.373 29.317 29.700 -0.017 0.000 0.813 194 E HN 0.320 nan 8.360 nan 0.000 0.514 195 S N 0.761 116.420 115.700 -0.069 0.000 2.672 195 S HA 0.168 4.638 4.470 0.000 0.000 0.276 195 S C 0.748 175.288 174.600 -0.101 0.000 1.207 195 S CA -0.676 57.472 58.200 -0.087 0.000 1.002 195 S CB 0.979 64.125 63.200 -0.089 0.000 0.998 195 S HN 0.151 nan 8.310 nan 0.000 0.542 196 N N -0.083 118.550 118.700 -0.113 0.000 2.322 196 N HA 0.206 4.946 4.740 0.000 0.000 0.194 196 N C 1.157 176.596 175.510 -0.119 0.000 1.126 196 N CA 0.363 53.346 53.050 -0.111 0.000 0.845 196 N CB -0.421 37.998 38.487 -0.114 0.000 0.976 196 N HN 1.357 nan 8.380 nan 0.000 0.475 197 G N 0.301 109.023 108.800 -0.131 0.000 2.148 197 G HA2 -0.289 3.671 3.960 0.000 0.000 0.254 197 G HA3 -0.289 3.671 3.960 0.000 0.000 0.254 197 G C -0.463 174.360 174.900 -0.128 0.000 0.981 197 G CA 0.001 45.011 45.100 -0.149 0.000 0.670 197 G HN 0.428 nan 8.290 nan 0.000 0.528 198 R N -0.210 120.220 120.500 -0.117 0.000 2.387 198 R HA 0.654 4.994 4.340 0.000 0.000 0.314 198 R C -0.619 175.618 176.300 -0.105 0.000 0.958 198 R CA -0.639 55.398 56.100 -0.106 0.000 0.846 198 R CB 2.254 32.493 30.300 -0.102 0.000 1.147 198 R HN 0.150 nan 8.270 nan 0.000 0.447 199 V N 1.215 121.066 119.914 -0.105 0.000 2.604 199 V HA 0.676 4.796 4.120 0.000 0.000 0.305 199 V C 0.340 176.363 176.094 -0.119 0.000 1.043 199 V CA -0.831 61.411 62.300 -0.097 0.000 0.888 199 V CB 2.241 34.000 31.823 -0.107 0.000 0.995 199 V HN 0.930 nan 8.190 nan 0.000 0.429 200 G N 3.545 112.290 108.800 -0.092 0.000 2.495 200 G HA2 0.725 4.685 3.960 0.000 0.000 0.318 200 G HA3 0.725 4.685 3.960 0.000 0.000 0.318 200 G C -1.023 173.887 174.900 0.017 0.000 1.257 200 G CA -0.690 44.313 45.100 -0.161 0.000 0.962 200 G HN 0.516 nan 8.290 nan 0.000 0.483 201 M N 1.135 120.764 119.600 0.049 0.000 2.436 201 M HA 0.605 5.085 4.480 0.000 0.000 0.331 201 M C -0.077 176.342 176.300 0.197 0.000 1.135 201 M CA -0.524 54.824 55.300 0.080 0.000 0.987 201 M CB 2.623 35.237 32.600 0.024 0.000 1.687 201 M HN 0.601 nan 8.290 nan 0.000 0.445 202 T N 0.879 115.500 114.554 0.111 0.000 2.762 202 T HA 0.875 5.225 4.350 0.000 0.000 0.301 202 T C -1.335 173.411 174.700 0.078 0.000 1.299 202 T CA 0.059 62.233 62.100 0.124 0.000 1.005 202 T CB 2.082 71.052 68.868 0.171 0.000 1.377 202 T HN 1.033 nan 8.240 nan 0.000 0.504 203 G N 0.814 109.672 108.800 0.096 0.000 2.329 203 G HA2 0.413 4.373 3.960 0.000 0.000 0.308 203 G HA3 0.413 4.373 3.960 0.000 0.000 0.308 203 G C -1.236 173.751 174.900 0.144 0.000 1.587 203 G CA 0.061 45.243 45.100 0.136 0.000 0.978 203 G HN 0.801 nan 8.290 nan 0.000 0.685 204 S N -0.088 115.711 115.700 0.166 0.000 2.537 204 S HA 0.863 5.333 4.470 0.000 0.000 0.301 204 S C 0.951 175.707 174.600 0.261 0.000 1.092 204 S CA 1.318 59.603 58.200 0.142 0.000 1.048 204 S CB 1.441 64.656 63.200 0.025 0.000 1.053 204 S HN 2.478 nan 8.310 nan 0.000 0.501 205 S N 2.196 118.075 115.700 0.297 0.000 4.116 205 S HA -0.319 4.151 4.470 0.000 0.000 0.623 205 S C 0.835 175.710 174.600 0.458 0.000 1.933 205 S CA 1.433 59.907 58.200 0.457 0.000 4.224 205 S CB -1.911 61.650 63.200 0.601 0.000 0.208 205 S HN 0.995 nan 8.310 nan 0.000 0.527 206 Y N 2.239 122.793 120.300 0.425 0.000 2.293 206 Y HA 0.029 4.579 4.550 0.000 0.000 0.291 206 Y C 2.413 178.561 175.900 0.413 0.000 1.137 206 Y CA 2.038 60.373 58.100 0.390 0.000 1.202 206 Y CB -0.134 38.523 38.460 0.329 0.000 0.990 206 Y HN 0.592 nan 8.280 nan 0.000 0.537 207 E N -0.956 119.601 120.200 0.594 0.000 2.338 207 E HA -0.126 4.224 4.350 0.000 0.000 0.197 207 E C 2.195 178.995 176.600 0.334 0.000 1.007 207 E CA 0.688 57.350 56.400 0.437 0.000 0.849 207 E CB -0.169 29.758 29.700 0.379 0.000 0.774 207 E HN 0.606 nan 8.360 nan 0.000 0.506 208 G N 0.685 109.684 108.800 0.332 0.000 2.453 208 G HA2 -0.202 3.758 3.960 0.000 0.000 0.215 208 G HA3 -0.202 3.758 3.960 0.000 0.000 0.215 208 G C 1.278 176.343 174.900 0.275 0.000 1.147 208 G CA -0.096 45.157 45.100 0.255 0.000 0.802 208 G HN 0.252 nan 8.290 nan 0.000 0.535 209 F N 3.205 123.257 119.950 0.169 0.000 2.126 209 F HA -0.169 4.358 4.527 0.000 0.000 0.299 209 F C 2.880 178.761 175.800 0.134 0.000 1.096 209 F CA 2.378 60.444 58.000 0.109 0.000 1.255 209 F CB -0.627 38.331 39.000 -0.069 0.000 0.997 209 F HN 0.181 nan 8.300 nan 0.000 0.479 210 T N -2.001 112.616 114.554 0.105 0.000 2.881 210 T HA -0.129 4.221 4.350 0.000 0.000 0.270 210 T C 1.927 176.621 174.700 -0.010 0.000 1.068 210 T CA 1.440 63.549 62.100 0.015 0.000 1.131 210 T CB -1.230 67.778 68.868 0.232 0.000 0.871 210 T HN 0.189 nan 8.240 nan 0.000 0.479 211 V N 1.071 121.008 119.914 0.038 0.000 2.346 211 V HA -0.067 4.053 4.120 0.000 0.000 0.244 211 V C 2.921 179.009 176.094 -0.009 0.000 1.037 211 V CA 1.029 63.340 62.300 0.017 0.000 1.029 211 V CB -0.614 31.220 31.823 0.019 0.000 0.663 211 V HN 0.370 nan 8.190 nan 0.000 0.454 212 V N -0.272 119.648 119.914 0.011 0.000 2.332 212 V HA -0.314 3.806 4.120 0.000 0.000 0.248 212 V C 2.575 178.669 176.094 -0.000 0.000 1.055 212 V CA 1.978 64.321 62.300 0.071 0.000 1.038 212 V CB -0.652 31.290 31.823 0.197 0.000 0.651 212 V HN 0.410 nan 8.190 nan 0.000 0.450 213 M N -0.248 119.261 119.600 -0.151 0.000 2.159 213 M HA -0.139 4.341 4.480 0.000 0.000 0.263 213 M C 2.379 178.667 176.300 -0.020 0.000 1.063 213 M CA 2.145 57.355 55.300 -0.149 0.000 1.110 213 M CB -1.391 31.004 32.600 -0.341 0.000 1.374 213 M HN 0.439 nan 8.290 nan 0.000 0.411 214 A N 0.135 122.955 122.820 0.000 0.000 1.930 214 A HA -0.088 4.232 4.320 0.000 0.000 0.217 214 A C 2.214 179.842 177.584 0.073 0.000 1.175 214 A CA 1.060 53.130 52.037 0.056 0.000 0.627 214 A CB -0.844 18.183 19.000 0.045 0.000 0.815 214 A HN 0.480 nan 8.150 nan 0.000 0.443 215 L N -0.262 120.994 121.223 0.055 0.000 2.362 215 L HA -0.114 4.226 4.340 0.000 0.000 0.219 215 L C 2.163 179.090 176.870 0.095 0.000 1.134 215 L CA 0.348 55.231 54.840 0.072 0.000 0.807 215 L CB -0.428 41.679 42.059 0.081 0.000 0.927 215 L HN 0.398 nan 8.230 nan 0.000 0.447 216 L N -0.701 120.576 121.223 0.091 0.000 2.141 216 L HA -0.105 4.235 4.340 0.000 0.000 0.209 216 L C 0.435 177.361 176.870 0.094 0.000 1.094 216 L CA 0.947 55.842 54.840 0.091 0.000 0.763 216 L CB -0.140 41.966 42.059 0.078 0.000 0.908 216 L HN 0.238 nan 8.230 nan 0.000 0.437 217 D N -0.627 119.842 120.400 0.116 0.000 2.752 217 D HA 0.172 4.812 4.640 0.000 0.000 0.242 217 D C -2.624 173.827 176.300 0.251 0.000 1.295 217 D CA -1.373 52.715 54.000 0.146 0.000 0.846 217 D CB 1.097 41.959 40.800 0.104 0.000 1.454 217 D HN -0.144 nan 8.370 nan 0.000 0.535 218 P HA 0.144 nan 4.420 nan 0.000 0.278 218 P C -0.044 177.363 177.300 0.178 0.000 1.238 218 P CA -0.295 62.910 63.100 0.176 0.000 0.794 218 P CB 0.741 32.487 31.700 0.076 0.000 0.955 219 H N 4.568 123.569 119.070 -0.116 0.000 2.815 219 H HA 0.055 4.611 4.556 0.000 0.000 0.350 219 H C -1.189 174.022 175.328 -0.196 0.000 1.080 219 H CA -1.116 54.668 56.048 -0.440 0.000 1.433 219 H CB 0.853 30.152 29.762 -0.771 0.000 1.432 219 H HN 0.251 nan 8.280 nan 0.000 0.592 220 P HA -0.115 nan 4.420 nan 0.000 0.221 220 P C 0.796 178.072 177.300 -0.041 0.000 1.145 220 P CA 1.326 64.326 63.100 -0.167 0.000 0.795 220 P CB 0.035 31.608 31.700 -0.211 0.000 0.775 221 A N -0.800 122.114 122.820 0.157 0.000 2.208 221 A HA 0.041 4.361 4.320 0.000 0.000 0.209 221 A C 1.098 178.669 177.584 -0.022 0.000 1.161 221 A CA 0.005 52.086 52.037 0.073 0.000 0.782 221 A CB -0.907 18.125 19.000 0.055 0.000 0.816 221 A HN 0.181 nan 8.150 nan 0.000 0.477 222 L N 0.579 121.789 121.223 -0.022 0.000 2.342 222 L HA 0.271 4.611 4.340 0.000 0.000 0.285 222 L C 0.673 177.476 176.870 -0.112 0.000 1.095 222 L CA 0.079 54.872 54.840 -0.078 0.000 0.843 222 L CB 0.354 42.380 42.059 -0.055 0.000 1.201 222 L HN -0.001 nan 8.230 nan 0.000 0.445 223 K N 3.826 124.132 120.400 -0.157 0.000 2.356 223 K HA 0.307 4.627 4.320 0.000 0.000 0.195 223 K C -0.205 176.185 176.600 -0.351 0.000 1.037 223 K CA 0.321 56.489 56.287 -0.198 0.000 1.014 223 K CB 0.491 32.912 32.500 -0.132 0.000 0.815 223 K HN 0.404 nan 8.250 nan 0.000 0.507 224 V N -0.606 119.071 119.914 -0.395 0.000 3.167 224 V HA 0.648 4.768 4.120 0.000 0.000 0.293 224 V C -2.057 173.798 176.094 -0.398 0.000 1.379 224 V CA -0.761 61.226 62.300 -0.523 0.000 1.019 224 V CB 2.172 33.492 31.823 -0.839 0.000 1.115 224 V HN 0.155 nan 8.190 nan 0.000 0.442 225 A N 3.767 126.491 122.820 -0.159 0.000 2.498 225 A HA 1.048 5.368 4.320 0.000 0.000 0.298 225 A C -0.524 177.187 177.584 0.212 0.000 1.075 225 A CA -0.176 51.877 52.037 0.026 0.000 0.714 225 A CB 2.131 21.081 19.000 -0.084 0.000 1.299 225 A HN 2.319 nan 8.150 nan 0.000 0.407 226 A N 2.164 125.120 122.820 0.227 0.000 2.855 226 A HA 0.700 5.020 4.320 0.000 0.000 0.313 226 A C -3.145 174.380 177.584 -0.098 0.000 1.173 226 A CA -1.267 50.786 52.037 0.027 0.000 0.753 226 A CB 0.498 19.488 19.000 -0.018 0.000 1.200 226 A HN 0.404 nan 8.150 nan 0.000 0.442 227 P HA 0.334 nan 4.420 nan 0.000 0.276 227 P C -0.524 176.784 177.300 0.013 0.000 1.253 227 P CA 0.427 63.463 63.100 -0.107 0.000 0.766 227 P CB 0.742 32.299 31.700 -0.238 0.000 0.845 228 E N 1.513 121.749 120.200 0.059 0.000 2.158 228 E HA 0.280 4.630 4.350 0.000 0.000 0.271 228 E C -0.107 176.569 176.600 0.128 0.000 0.911 228 E CA -0.726 55.706 56.400 0.053 0.000 0.767 228 E CB 0.697 30.388 29.700 -0.014 0.000 1.120 228 E HN 0.236 nan 8.360 nan 0.000 0.405 229 S N 2.479 118.274 115.700 0.158 0.000 3.378 229 S HA -0.138 4.332 4.470 0.000 0.000 0.365 229 S C -2.157 172.624 174.600 0.301 0.000 0.951 229 S CA 0.209 58.548 58.200 0.232 0.000 1.274 229 S CB -1.507 61.805 63.200 0.187 0.000 0.915 229 S HN 0.473 nan 8.310 nan 0.000 0.513 230 P HA 0.266 nan 4.420 nan 0.000 0.276 230 P C -0.150 177.325 177.300 0.292 0.000 1.244 230 P CA -0.638 62.659 63.100 0.328 0.000 0.801 230 P CB 0.548 32.477 31.700 0.382 0.000 1.006 231 M N 2.093 121.851 119.600 0.262 0.000 2.135 231 M HA 0.111 4.591 4.480 0.000 0.000 0.345 231 M C 0.802 177.266 176.300 0.274 0.000 1.340 231 M CA -0.207 55.179 55.300 0.144 0.000 1.162 231 M CB 0.551 33.116 32.600 -0.059 0.000 1.570 231 M HN 0.107 nan 8.290 nan 0.000 0.454 232 V N 0.390 120.457 119.914 0.255 0.000 2.854 232 V HA 0.137 4.257 4.120 0.000 0.000 0.236 232 V C 0.209 176.460 176.094 0.263 0.000 1.157 232 V CA 0.859 63.341 62.300 0.304 0.000 1.187 232 V CB 0.502 32.518 31.823 0.321 0.000 0.949 232 V HN 0.732 nan 8.190 nan 0.000 0.488 233 D N -0.020 120.489 120.400 0.183 0.000 2.389 233 D HA 0.316 4.956 4.640 0.000 0.000 0.256 233 D C 0.942 177.207 176.300 -0.058 0.000 1.239 233 D CA 0.341 54.388 54.000 0.079 0.000 0.925 233 D CB 1.592 42.346 40.800 -0.076 0.000 1.145 233 D HN 0.197 nan 8.370 nan 0.000 0.542 234 G N 1.802 110.659 108.800 0.095 0.000 2.559 234 G HA2 -0.228 3.732 3.960 0.000 0.000 0.216 234 G HA3 -0.228 3.732 3.960 0.000 0.000 0.216 234 G C 1.059 175.955 174.900 -0.007 0.000 1.126 234 G CA 0.153 45.244 45.100 -0.014 0.000 0.778 234 G HN 0.538 nan 8.290 nan 0.000 0.543 235 W N -0.141 120.977 121.300 -0.303 0.000 2.640 235 W HA 0.265 4.925 4.660 0.000 0.000 0.271 235 W C 2.348 178.456 176.519 -0.685 0.000 1.218 235 W CA 0.175 57.220 57.345 -0.499 0.000 1.382 235 W CB 0.279 29.308 29.460 -0.718 0.000 1.067 235 W HN -0.029 nan 8.180 nan 0.000 0.590 236 M N -0.455 118.749 119.600 -0.660 0.000 2.156 236 M HA 0.177 4.657 4.480 0.000 0.000 0.264 236 M C 1.454 176.815 176.300 -1.565 0.000 1.067 236 M CA 1.847 56.325 55.300 -1.370 0.000 1.131 236 M CB -1.243 30.095 32.600 -2.104 0.000 1.368 236 M HN 0.241 nan 8.290 nan 0.000 0.416 237 G N -0.931 107.151 108.800 -1.196 0.000 5.181 237 G HA2 0.089 4.049 3.960 0.000 0.000 0.208 237 G HA3 0.089 4.049 3.960 0.000 0.000 0.208 237 G C -0.242 174.386 174.900 -0.454 0.000 0.786 237 G CA -0.402 44.121 45.100 -0.961 0.000 0.803 237 G HN 0.196 nan 8.290 nan 0.000 0.404 238 D N 0.023 120.263 120.400 -0.268 0.000 3.161 238 D HA 0.167 4.807 4.640 0.000 0.000 0.224 238 D C 0.919 177.112 176.300 -0.179 0.000 1.180 238 D CA -0.200 53.726 54.000 -0.123 0.000 1.207 238 D CB 0.595 41.322 40.800 -0.121 0.000 1.008 238 D HN -0.084 nan 8.370 nan 0.000 0.316 239 D N -0.496 119.610 120.400 -0.490 0.000 2.162 239 D HA -0.022 4.618 4.640 0.000 0.000 0.205 239 D C 2.189 178.150 176.300 -0.565 0.000 0.964 239 D CA 0.702 54.280 54.000 -0.703 0.000 0.847 239 D CB 0.198 40.240 40.800 -1.263 0.000 0.988 239 D HN 0.373 nan 8.370 nan 0.000 0.480 240 W N 0.042 121.273 121.300 -0.114 0.000 2.480 240 W HA 0.090 4.750 4.660 0.000 0.000 0.299 240 W C 0.575 176.750 176.519 -0.574 0.000 1.187 240 W CA -0.390 56.800 57.345 -0.259 0.000 1.347 240 W CB 0.002 29.499 29.460 0.060 0.000 1.121 240 W HN -0.219 nan 8.180 nan 0.000 0.533 241 F N -1.497 118.406 119.950 -0.079 0.000 2.613 241 F HA 0.415 4.942 4.527 0.000 0.000 0.314 241 F C -0.356 175.302 175.800 -0.237 0.000 1.075 241 F CA -1.409 56.436 58.000 -0.259 0.000 0.945 241 F CB 1.190 39.709 39.000 -0.803 0.000 1.310 241 F HN -0.285 nan 8.300 nan 0.000 0.467 242 H N 1.566 120.522 119.070 -0.190 0.000 2.860 242 H HA 0.216 4.772 4.556 0.000 0.000 0.312 242 H C -1.121 173.941 175.328 -0.443 0.000 0.995 242 H CA -0.857 55.004 56.048 -0.312 0.000 1.311 242 H CB 0.759 30.522 29.762 0.001 0.000 1.478 242 H HN 0.674 nan 8.280 nan 0.000 0.508 243 Y N 1.776 121.688 120.300 -0.646 0.000 3.305 243 Y HA -0.306 4.244 4.550 0.000 0.000 0.212 243 Y C 1.562 176.917 175.900 -0.909 0.000 1.248 243 Y CA 1.426 59.062 58.100 -0.773 0.000 1.359 243 Y CB -1.796 36.340 38.460 -0.540 0.000 1.407 243 Y HN 1.132 nan 8.280 nan 0.000 0.572 244 G N -2.108 105.816 108.800 -1.460 0.000 2.225 244 G HA2 -0.059 3.901 3.960 0.000 0.000 0.254 244 G HA3 -0.059 3.901 3.960 0.000 0.000 0.254 244 G C 0.377 175.186 174.900 -0.152 0.000 0.988 244 G CA -0.121 44.285 45.100 -1.156 0.000 0.625 244 G HN 1.589 nan 8.290 nan 0.000 0.527 245 A N 0.432 123.220 122.820 -0.054 0.000 2.347 245 A HA 0.643 4.963 4.320 0.000 0.000 0.287 245 A C -0.109 177.683 177.584 0.347 0.000 1.199 245 A CA -0.321 51.808 52.037 0.154 0.000 0.851 245 A CB 0.155 19.120 19.000 -0.059 0.000 1.118 245 A HN 1.268 nan 8.150 nan 0.000 0.525 246 F N 3.082 123.138 119.950 0.177 0.000 2.456 246 F HA 0.382 4.909 4.527 0.000 0.000 0.358 246 F C 0.720 176.409 175.800 -0.185 0.000 1.095 246 F CA -0.244 57.657 58.000 -0.165 0.000 1.216 246 F CB 0.658 39.616 39.000 -0.069 0.000 1.125 246 F HN 0.567 nan 8.300 nan 0.000 0.549 247 R N 5.857 125.596 120.500 -1.268 0.000 2.196 247 R HA 0.142 4.482 4.340 0.000 0.000 0.340 247 R C 0.897 176.150 176.300 -1.745 0.000 1.043 247 R CA -0.292 55.017 56.100 -1.318 0.000 0.883 247 R CB 0.814 30.513 30.300 -1.002 0.000 1.078 247 R HN 0.771 nan 8.270 nan 0.000 0.462 248 Q N 1.378 120.338 119.800 -1.400 0.000 2.436 248 Q HA -0.061 4.279 4.340 0.000 0.000 0.209 248 Q C 1.645 176.726 176.000 -1.533 0.000 0.965 248 Q CA 1.014 56.025 55.803 -1.321 0.000 0.910 248 Q CB 0.307 28.381 28.738 -1.107 0.000 0.980 248 Q HN 0.869 nan 8.270 nan 0.000 0.491 249 G N 0.595 108.287 108.800 -1.847 0.000 2.679 249 G HA2 -0.030 3.930 3.960 0.000 0.000 0.212 249 G HA3 -0.030 3.930 3.960 0.000 0.000 0.212 249 G C 1.375 175.646 174.900 -1.047 0.000 1.137 249 G CA 0.576 44.528 45.100 -1.915 0.000 0.787 249 G HN 0.369 nan 8.290 nan 0.000 0.534 250 A N 0.699 122.916 122.820 -1.005 0.000 1.972 250 A HA 0.123 4.443 4.320 0.000 0.000 0.219 250 A C 1.976 178.944 177.584 -1.028 0.000 1.169 250 A CA 0.970 52.514 52.037 -0.822 0.000 0.635 250 A CB -0.440 18.139 19.000 -0.703 0.000 0.810 250 A HN 0.253 nan 8.150 nan 0.000 0.446 251 F N 0.887 120.447 119.950 -0.649 0.000 2.095 251 F HA -0.164 4.363 4.527 0.000 0.000 0.298 251 F C 2.108 177.752 175.800 -0.260 0.000 1.104 251 F CA 1.343 59.099 58.000 -0.407 0.000 1.232 251 F CB -0.779 38.162 39.000 -0.098 0.000 0.987 251 F HN 0.237 nan 8.300 nan 0.000 0.475 252 D N -1.448 118.927 120.400 -0.041 0.000 2.178 252 D HA -0.220 4.420 4.640 0.000 0.000 0.201 252 D C 2.104 178.408 176.300 0.005 0.000 0.980 252 D CA 1.021 55.012 54.000 -0.015 0.000 0.842 252 D CB -0.558 40.209 40.800 -0.054 0.000 0.948 252 D HN 0.353 nan 8.370 nan 0.000 0.472 253 Y N 0.447 120.649 120.300 -0.163 0.000 2.200 253 Y HA -0.179 4.371 4.550 0.000 0.000 0.290 253 Y C 2.145 178.146 175.900 0.167 0.000 1.137 253 Y CA 1.413 59.506 58.100 -0.011 0.000 1.163 253 Y CB -0.410 38.044 38.460 -0.010 0.000 0.988 253 Y HN -0.114 nan 8.280 nan 0.000 0.518 254 F N -1.204 118.842 119.950 0.160 0.000 2.069 254 F HA -0.293 4.234 4.527 0.000 0.000 0.298 254 F C 2.300 178.083 175.800 -0.028 0.000 1.113 254 F CA 1.070 59.114 58.000 0.074 0.000 1.214 254 F CB -0.722 38.322 39.000 0.073 0.000 0.978 254 F HN -0.149 nan 8.300 nan 0.000 0.474 255 V N -0.841 119.125 119.914 0.088 0.000 2.490 255 V HA -0.280 3.840 4.120 0.000 0.000 0.250 255 V C 2.368 178.513 176.094 0.085 0.000 1.061 255 V CA 1.954 64.280 62.300 0.043 0.000 1.064 255 V CB -0.648 31.157 31.823 -0.031 0.000 0.670 255 V HN 0.376 nan 8.190 nan 0.000 0.461 256 S N -0.826 114.888 115.700 0.023 0.000 2.383 256 S HA -0.179 4.291 4.470 0.000 0.000 0.227 256 S C 1.929 176.498 174.600 -0.052 0.000 1.026 256 S CA 1.255 59.448 58.200 -0.012 0.000 0.981 256 S CB -0.075 63.109 63.200 -0.027 0.000 0.818 256 S HN 0.597 nan 8.310 nan 0.000 0.472 257 Q N -0.511 119.220 119.800 -0.115 0.000 2.378 257 Q HA 0.325 4.666 4.340 0.000 0.000 0.216 257 Q C 1.204 177.150 176.000 -0.089 0.000 0.892 257 Q CA 0.432 56.132 55.803 -0.173 0.000 0.931 257 Q CB 0.234 28.763 28.738 -0.348 0.000 1.086 257 Q HN 0.581 nan 8.270 nan 0.000 0.528 258 M N -0.865 118.795 119.600 0.101 0.000 2.306 258 M HA 0.116 4.596 4.480 0.000 0.000 0.292 258 M C 1.084 177.496 176.300 0.187 0.000 1.018 258 M CA 0.151 55.574 55.300 0.205 0.000 1.007 258 M CB 0.757 33.582 32.600 0.374 0.000 1.510 258 M HN -0.120 nan 8.290 nan 0.000 0.537 259 T N 1.178 115.833 114.554 0.168 0.000 2.904 259 T HA 0.192 4.542 4.350 0.000 0.000 0.267 259 T C 0.693 175.373 174.700 -0.033 0.000 1.059 259 T CA 1.018 63.175 62.100 0.095 0.000 1.137 259 T CB 0.119 69.059 68.868 0.120 0.000 0.879 259 T HN 0.466 nan 8.240 nan 0.000 0.467 260 A N -0.257 122.518 122.820 -0.075 0.000 2.609 260 A HA 0.674 4.994 4.320 0.000 0.000 0.291 260 A C 0.820 178.273 177.584 -0.218 0.000 1.096 260 A CA -0.679 51.282 52.037 -0.127 0.000 0.684 260 A CB 0.842 19.770 19.000 -0.120 0.000 1.282 260 A HN 0.048 nan 8.150 nan 0.000 0.412 261 R N 0.113 120.485 120.500 -0.214 0.000 2.103 261 R HA -0.125 4.215 4.340 0.000 0.000 0.242 261 R C 1.212 177.183 176.300 -0.549 0.000 1.142 261 R CA 2.400 58.331 56.100 -0.283 0.000 0.960 261 R CB -0.359 29.833 30.300 -0.181 0.000 0.858 261 R HN 0.891 nan 8.270 nan 0.000 0.439 262 G N -1.172 107.297 108.800 -0.552 0.000 2.829 262 G HA2 0.387 4.347 3.960 0.000 0.000 0.173 262 G HA3 0.387 4.347 3.960 0.000 0.000 0.173 262 G C -0.423 174.021 174.900 -0.759 0.000 1.476 262 G CA -0.220 44.318 45.100 -0.937 0.000 1.072 262 G HN 0.413 nan 8.290 nan 0.000 0.577 263 G N -1.309 107.317 108.800 -0.289 0.000 2.544 263 G HA2 0.509 4.469 3.960 0.000 0.000 0.242 263 G HA3 0.509 4.469 3.960 0.000 0.000 0.242 263 G C 0.155 175.018 174.900 -0.062 0.000 1.247 263 G CA 0.616 45.703 45.100 -0.023 0.000 0.840 263 G HN 0.893 nan 8.290 nan 0.000 0.578 264 G N 0.021 108.810 108.800 -0.020 0.000 3.105 264 G HA2 0.593 4.553 3.960 0.000 0.000 0.277 264 G HA3 0.593 4.553 3.960 0.000 0.000 0.277 264 G C -0.749 174.159 174.900 0.014 0.000 1.375 264 G CA -0.784 44.311 45.100 -0.008 0.000 0.962 264 G HN 0.597 nan 8.290 nan 0.000 0.541 265 N N -0.794 117.917 118.700 0.019 0.000 2.619 265 N HA 0.424 5.164 4.740 0.000 0.000 0.294 265 N C -1.195 174.326 175.510 0.018 0.000 1.279 265 N CA -0.460 52.600 53.050 0.017 0.000 0.867 265 N CB 2.038 40.531 38.487 0.011 0.000 1.329 265 N HN 0.365 nan 8.380 nan 0.000 0.557 266 D N 0.172 120.580 120.400 0.012 0.000 2.423 266 D HA 0.404 5.044 4.640 0.000 0.000 0.255 266 D C 0.064 176.367 176.300 0.006 0.000 1.174 266 D CA -0.170 53.838 54.000 0.013 0.000 1.008 266 D CB 1.029 41.837 40.800 0.013 0.000 1.101 266 D HN 0.284 nan 8.370 nan 0.000 0.516 267 I N 2.124 122.702 120.570 0.014 0.000 2.352 267 I HA 0.169 4.339 4.170 0.000 0.000 0.290 267 I C -1.915 174.191 176.117 -0.018 0.000 1.036 267 I CA -1.661 59.631 61.300 -0.013 0.000 1.336 267 I CB 0.769 38.771 38.000 0.004 0.000 1.407 267 I HN 0.046 nan 8.210 nan 0.000 0.497 268 P HA 0.126 nan 4.420 nan 0.000 0.265 268 P C -0.694 176.575 177.300 -0.052 0.000 1.193 268 P CA -0.107 62.966 63.100 -0.044 0.000 0.765 268 P CB 0.481 32.148 31.700 -0.056 0.000 0.823 269 R N 2.226 122.709 120.500 -0.028 0.000 2.732 269 R HA 0.357 4.697 4.340 0.000 0.000 0.278 269 R C 1.019 177.303 176.300 -0.026 0.000 0.976 269 R CA -0.887 55.202 56.100 -0.018 0.000 0.963 269 R CB 1.516 31.822 30.300 0.011 0.000 1.150 269 R HN 0.343 nan 8.270 nan 0.000 0.478 270 R N 0.457 120.942 120.500 -0.024 0.000 2.057 270 R HA 0.073 4.413 4.340 0.000 0.000 0.224 270 R C 0.114 176.412 176.300 -0.004 0.000 1.136 270 R CA 1.452 57.540 56.100 -0.020 0.000 0.968 270 R CB 0.008 30.294 30.300 -0.023 0.000 0.863 270 R HN 0.605 nan 8.270 nan 0.000 0.433 271 D N -1.408 118.999 120.400 0.011 0.000 2.272 271 D HA 0.288 4.928 4.640 0.000 0.000 0.247 271 D C 0.051 176.359 176.300 0.012 0.000 0.990 271 D CA 0.248 54.260 54.000 0.020 0.000 0.931 271 D CB 2.166 42.992 40.800 0.044 0.000 1.195 271 D HN 0.247 nan 8.370 nan 0.000 0.477 272 A N 2.116 124.939 122.820 0.005 0.000 2.014 272 A HA -0.059 4.261 4.320 0.000 0.000 0.218 272 A C 0.795 178.366 177.584 -0.022 0.000 1.163 272 A CA 0.843 52.872 52.037 -0.014 0.000 0.652 272 A CB 0.051 19.041 19.000 -0.015 0.000 0.808 272 A HN 0.498 nan 8.150 nan 0.000 0.449 273 D N -0.416 119.993 120.400 0.016 0.000 2.317 273 D HA 0.294 4.934 4.640 0.000 0.000 0.234 273 D C -0.198 176.154 176.300 0.088 0.000 1.112 273 D CA -0.466 53.558 54.000 0.040 0.000 0.840 273 D CB 0.867 41.718 40.800 0.084 0.000 1.078 273 D HN 0.004 nan 8.370 nan 0.000 0.486 274 D N 2.389 122.812 120.400 0.038 0.000 2.312 274 D HA -0.155 4.485 4.640 0.000 0.000 0.211 274 D C 1.277 177.722 176.300 0.241 0.000 0.964 274 D CA 0.530 54.609 54.000 0.132 0.000 0.877 274 D CB -0.034 40.752 40.800 -0.023 0.000 0.924 274 D HN 0.568 nan 8.370 nan 0.000 0.515 275 Y N 1.446 121.814 120.300 0.113 0.000 2.145 275 Y HA -0.239 4.311 4.550 0.000 0.000 0.286 275 Y C 2.249 178.343 175.900 0.324 0.000 1.145 275 Y CA 1.759 60.005 58.100 0.244 0.000 1.148 275 Y CB -0.291 38.303 38.460 0.223 0.000 0.981 275 Y HN -0.110 nan 8.280 nan 0.000 0.507 276 T N 0.645 115.444 114.554 0.408 0.000 2.737 276 T HA -0.169 4.181 4.350 0.000 0.000 0.265 276 T C 1.653 176.470 174.700 0.194 0.000 1.038 276 T CA 1.418 63.680 62.100 0.269 0.000 1.144 276 T CB -0.360 68.626 68.868 0.197 0.000 0.866 276 T HN 0.357 nan 8.240 nan 0.000 0.434 277 N N 0.887 119.693 118.700 0.176 0.000 2.069 277 N HA -0.046 4.694 4.740 0.000 0.000 0.191 277 N C 1.548 177.114 175.510 0.093 0.000 1.031 277 N CA 1.272 54.387 53.050 0.109 0.000 0.852 277 N CB -0.506 38.022 38.487 0.069 0.000 1.018 277 N HN 0.371 nan 8.380 nan 0.000 0.423 278 F N 0.249 120.263 119.950 0.108 0.000 2.416 278 F HA 0.058 4.585 4.527 0.000 0.000 0.296 278 F C 2.051 178.005 175.800 0.256 0.000 1.099 278 F CA 0.018 58.090 58.000 0.120 0.000 1.427 278 F CB -0.203 38.731 39.000 -0.110 0.000 1.079 278 F HN -0.025 nan 8.300 nan 0.000 0.536 279 L N 0.486 121.944 121.223 0.391 0.000 2.109 279 L HA -0.100 4.240 4.340 0.000 0.000 0.207 279 L C 2.049 178.943 176.870 0.040 0.000 1.086 279 L CA 1.807 56.713 54.840 0.111 0.000 0.760 279 L CB -0.638 41.371 42.059 -0.083 0.000 0.910 279 L HN -0.050 nan 8.230 nan 0.000 0.437 280 K N -0.848 119.598 120.400 0.078 0.000 2.155 280 K HA 0.003 4.323 4.320 0.000 0.000 0.203 280 K C 1.971 178.598 176.600 0.046 0.000 1.052 280 K CA 1.018 57.330 56.287 0.041 0.000 0.948 280 K CB -0.186 32.339 32.500 0.043 0.000 0.728 280 K HN 0.409 nan 8.250 nan 0.000 0.448 281 A N 0.829 123.707 122.820 0.096 0.000 2.014 281 A HA 0.122 4.442 4.320 0.000 0.000 0.218 281 A C 1.441 179.096 177.584 0.119 0.000 1.163 281 A CA 1.568 53.669 52.037 0.107 0.000 0.652 281 A CB -0.421 18.698 19.000 0.199 0.000 0.808 281 A HN 0.439 nan 8.150 nan 0.000 0.449 282 G N -0.799 108.065 108.800 0.108 0.000 2.972 282 G HA2 -0.205 3.755 3.960 0.000 0.000 0.265 282 G HA3 -0.205 3.755 3.960 0.000 0.000 0.265 282 G C 0.687 175.693 174.900 0.178 0.000 1.506 282 G CA 0.768 45.894 45.100 0.043 0.000 1.016 282 G HN 1.717 nan 8.290 nan 0.000 0.563 283 S N 1.302 117.181 115.700 0.299 0.000 2.645 283 S HA 0.722 5.192 4.470 0.000 0.000 0.266 283 S C 1.668 176.562 174.600 0.490 0.000 1.258 283 S CA 0.629 59.090 58.200 0.435 0.000 0.990 283 S CB 1.573 65.032 63.200 0.430 0.000 0.967 283 S HN 2.158 nan 8.310 nan 0.000 0.556 284 A N 1.253 124.433 122.820 0.600 0.000 1.933 284 A HA 0.164 4.484 4.320 0.000 0.000 0.218 284 A C 2.128 180.101 177.584 0.648 0.000 1.175 284 A CA 1.519 54.012 52.037 0.760 0.000 0.628 284 A CB -1.709 17.837 19.000 0.909 0.000 0.814 284 A HN 1.125 nan 8.150 nan 0.000 0.444 285 G N -1.164 108.009 108.800 0.621 0.000 2.448 285 G HA2 -0.103 3.857 3.960 0.000 0.000 0.218 285 G HA3 -0.103 3.857 3.960 0.000 0.000 0.218 285 G C 1.833 176.896 174.900 0.272 0.000 1.135 285 G CA 1.327 46.742 45.100 0.526 0.000 0.784 285 G HN 0.551 nan 8.290 nan 0.000 0.543 286 S N -0.462 115.395 115.700 0.261 0.000 2.387 286 S HA -0.048 4.422 4.470 0.000 0.000 0.226 286 S C 2.000 176.626 174.600 0.043 0.000 1.026 286 S CA 1.014 59.299 58.200 0.142 0.000 0.972 286 S CB -0.360 62.939 63.200 0.165 0.000 0.814 286 S HN 0.360 nan 8.310 nan 0.000 0.477 287 F N 2.246 122.157 119.950 -0.067 0.000 2.146 287 F HA 0.086 4.613 4.527 0.000 0.000 0.298 287 F C 2.284 177.801 175.800 -0.471 0.000 1.096 287 F CA 1.185 59.033 58.000 -0.254 0.000 1.275 287 F CB -0.762 38.100 39.000 -0.230 0.000 1.008 287 F HN 0.272 nan 8.300 nan 0.000 0.480 288 A N -0.274 122.266 122.820 -0.466 0.000 1.883 288 A HA -0.204 4.116 4.320 0.000 0.000 0.217 288 A C 2.187 179.479 177.584 -0.486 0.000 1.186 288 A CA 2.447 53.975 52.037 -0.849 0.000 0.624 288 A CB -1.487 16.902 19.000 -1.018 0.000 0.822 288 A HN 0.435 nan 8.150 nan 0.000 0.444 289 T N -0.015 114.395 114.554 -0.240 0.000 2.746 289 T HA -0.187 4.163 4.350 0.000 0.000 0.267 289 T C 2.036 176.613 174.700 -0.206 0.000 1.039 289 T CA 1.763 63.775 62.100 -0.146 0.000 1.142 289 T CB -0.290 68.543 68.868 -0.058 0.000 0.866 289 T HN 0.614 nan 8.240 nan 0.000 0.444 290 Q N 0.345 119.976 119.800 -0.282 0.000 2.170 290 Q HA 0.052 4.392 4.340 0.000 0.000 0.203 290 Q C 2.355 178.118 176.000 -0.395 0.000 0.976 290 Q CA 1.216 56.828 55.803 -0.320 0.000 0.858 290 Q CB -0.160 28.359 28.738 -0.365 0.000 0.907 290 Q HN 0.537 nan 8.270 nan 0.000 0.433 291 A N -0.461 122.038 122.820 -0.535 0.000 2.251 291 A HA 0.318 4.638 4.320 0.000 0.000 0.209 291 A C 1.399 178.816 177.584 -0.278 0.000 1.187 291 A CA 0.705 52.452 52.037 -0.483 0.000 0.823 291 A CB -0.064 18.532 19.000 -0.673 0.000 0.846 291 A HN 0.427 nan 8.150 nan 0.000 0.486 292 G N -1.043 107.630 108.800 -0.211 0.000 2.136 292 G HA2 -0.241 3.719 3.960 0.000 0.000 0.242 292 G HA3 -0.241 3.719 3.960 0.000 0.000 0.242 292 G C 0.668 175.587 174.900 0.031 0.000 0.989 292 G CA 0.407 45.467 45.100 -0.066 0.000 0.682 292 G HN 0.429 nan 8.290 nan 0.000 0.522 293 L N 0.131 121.278 121.223 -0.127 0.000 2.465 293 L HA 0.082 4.422 4.340 0.000 0.000 0.224 293 L C 2.176 179.199 176.870 0.255 0.000 1.145 293 L CA 0.882 55.666 54.840 -0.094 0.000 0.834 293 L CB -0.138 41.587 42.059 -0.557 0.000 0.944 293 L HN 0.089 nan 8.230 nan 0.000 0.451 294 D N 0.195 120.710 120.400 0.192 0.000 2.263 294 D HA -0.220 4.420 4.640 0.000 0.000 0.208 294 D C 2.053 178.454 176.300 0.170 0.000 0.971 294 D CA 1.003 55.125 54.000 0.204 0.000 0.867 294 D CB 0.001 40.841 40.800 0.067 0.000 0.929 294 D HN 0.570 nan 8.370 nan 0.000 0.492 295 Q N -0.512 119.402 119.800 0.190 0.000 2.403 295 Q HA -0.068 4.272 4.340 0.000 0.000 0.203 295 Q C -0.238 175.796 176.000 0.056 0.000 0.932 295 Q CA 0.091 55.944 55.803 0.083 0.000 0.945 295 Q CB -0.179 28.561 28.738 0.003 0.000 1.045 295 Q HN 0.287 nan 8.270 nan 0.000 0.511 296 Y N 1.466 121.812 120.300 0.077 0.000 2.404 296 Y HA 0.241 4.791 4.550 0.000 0.000 0.344 296 Y C -1.585 174.361 175.900 0.076 0.000 0.970 296 Y CA -2.631 55.523 58.100 0.090 0.000 1.180 296 Y CB 1.406 39.944 38.460 0.130 0.000 1.138 296 Y HN 0.048 nan 8.280 nan 0.000 0.510 297 P HA -0.278 nan 4.420 nan 0.000 0.216 297 P C 1.552 178.890 177.300 0.063 0.000 1.154 297 P CA 1.492 64.632 63.100 0.065 0.000 0.865 297 P CB 0.044 31.775 31.700 0.052 0.000 0.789 298 F N -1.177 118.760 119.950 -0.022 0.000 2.216 298 F HA -0.123 4.404 4.527 0.000 0.000 0.300 298 F C 2.165 177.870 175.800 -0.159 0.000 1.085 298 F CA 1.125 59.056 58.000 -0.115 0.000 1.326 298 F CB -0.664 38.218 39.000 -0.196 0.000 1.027 298 F HN 0.019 nan 8.300 nan 0.000 0.497 299 W N 1.092 122.225 121.300 -0.278 0.000 2.467 299 W HA -0.151 4.509 4.660 0.000 0.000 0.275 299 W C 1.791 178.166 176.519 -0.240 0.000 1.239 299 W CA 1.134 58.296 57.345 -0.304 0.000 1.266 299 W CB -0.246 29.151 29.460 -0.105 0.000 1.112 299 W HN 0.147 nan 8.180 nan 0.000 0.576 300 Q N 0.357 119.946 119.800 -0.351 0.000 2.084 300 Q HA -0.180 4.160 4.340 0.000 0.000 0.202 300 Q C 2.357 178.057 176.000 -0.500 0.000 0.978 300 Q CA 1.752 57.288 55.803 -0.445 0.000 0.844 300 Q CB -0.261 28.337 28.738 -0.232 0.000 0.898 300 Q HN 0.270 nan 8.270 nan 0.000 0.426 301 R N 0.197 120.400 120.500 -0.494 0.000 2.066 301 R HA -0.072 4.268 4.340 0.000 0.000 0.232 301 R C 2.302 178.199 176.300 -0.670 0.000 1.131 301 R CA 1.426 57.154 56.100 -0.620 0.000 0.955 301 R CB -0.369 29.541 30.300 -0.651 0.000 0.851 301 R HN 0.318 nan 8.270 nan 0.000 0.432 302 M N 0.373 119.599 119.600 -0.623 0.000 2.117 302 M HA -0.202 4.278 4.480 0.000 0.000 0.262 302 M C 2.400 178.548 176.300 -0.254 0.000 1.065 302 M CA 1.704 56.873 55.300 -0.218 0.000 1.114 302 M CB -0.311 32.209 32.600 -0.133 0.000 1.361 302 M HN 0.219 nan 8.290 nan 0.000 0.408 303 H N 0.088 118.593 119.070 -0.942 0.000 2.387 303 H HA -0.081 4.475 4.556 0.000 0.000 0.299 303 H C 1.622 176.709 175.328 -0.402 0.000 1.090 303 H CA 1.849 57.291 56.048 -1.010 0.000 1.332 303 H CB 0.100 29.020 29.762 -1.404 0.000 1.386 303 H HN 0.542 nan 8.280 nan 0.000 0.516 304 A N 0.399 122.955 122.820 -0.439 0.000 2.067 304 A HA -0.052 4.268 4.320 0.000 0.000 0.217 304 A C 0.524 177.750 177.584 -0.596 0.000 1.156 304 A CA 0.439 52.163 52.037 -0.521 0.000 0.683 304 A CB -0.092 18.517 19.000 -0.652 0.000 0.808 304 A HN 0.461 nan 8.150 nan 0.000 0.455 305 H N -0.447 118.557 119.070 -0.110 0.000 2.328 305 H HA 0.205 4.761 4.556 0.000 0.000 0.230 305 H C -2.032 173.558 175.328 0.436 0.000 1.481 305 H CA -1.692 54.405 56.048 0.081 0.000 1.306 305 H CB 0.390 30.085 29.762 -0.111 0.000 1.531 305 H HN 0.375 nan 8.280 nan 0.000 0.533 306 P HA -0.018 nan 4.420 nan 0.000 0.223 306 P C 0.746 178.300 177.300 0.422 0.000 1.151 306 P CA 0.511 63.873 63.100 0.436 0.000 0.787 306 P CB 0.679 32.509 31.700 0.215 0.000 0.788 307 A N -0.548 122.489 122.820 0.361 0.000 2.256 307 A HA 0.308 4.628 4.320 0.000 0.000 0.318 307 A C -0.603 176.838 177.584 -0.239 0.000 1.103 307 A CA -0.557 51.599 52.037 0.197 0.000 0.860 307 A CB -0.121 19.055 19.000 0.293 0.000 1.182 307 A HN 0.005 nan 8.150 nan 0.000 0.501 308 Y N 2.111 121.793 120.300 -1.031 0.000 2.851 308 Y HA 0.177 4.727 4.550 0.000 0.000 0.369 308 Y C 0.311 175.987 175.900 -0.374 0.000 1.226 308 Y CA -1.033 56.369 58.100 -1.164 0.000 1.949 308 Y CB -1.020 36.471 38.460 -1.615 0.000 2.059 308 Y HN 0.783 nan 8.280 nan 0.000 0.420 309 D N -0.156 120.114 120.400 -0.217 0.000 2.453 309 D HA 0.222 4.862 4.640 0.000 0.000 0.282 309 D C 1.596 177.733 176.300 -0.271 0.000 1.222 309 D CA 0.151 54.052 54.000 -0.165 0.000 1.079 309 D CB -0.034 40.754 40.800 -0.020 0.000 1.128 309 D HN 0.192 nan 8.370 nan 0.000 0.568 310 A N -0.911 121.789 122.820 -0.200 0.000 1.940 310 A HA -0.141 4.179 4.320 0.000 0.000 0.219 310 A C 2.041 179.463 177.584 -0.269 0.000 1.176 310 A CA 1.551 53.463 52.037 -0.209 0.000 0.631 310 A CB -1.288 17.630 19.000 -0.135 0.000 0.814 310 A HN 0.538 nan 8.150 nan 0.000 0.446 311 F N -0.833 118.784 119.950 -0.554 0.000 2.091 311 F HA -0.223 4.304 4.527 0.000 0.000 0.299 311 F C 1.943 177.383 175.800 -0.601 0.000 1.103 311 F CA 1.951 59.510 58.000 -0.735 0.000 1.228 311 F CB -0.473 37.719 39.000 -1.346 0.000 0.984 311 F HN 0.425 nan 8.300 nan 0.000 0.477 312 W N 0.248 121.333 121.300 -0.359 0.000 2.481 312 W HA -0.027 4.633 4.660 0.000 0.000 0.293 312 W C 2.555 178.806 176.519 -0.447 0.000 1.201 312 W CA 0.712 57.842 57.345 -0.359 0.000 1.328 312 W CB -0.758 28.560 29.460 -0.236 0.000 1.112 312 W HN -0.035 nan 8.180 nan 0.000 0.546 313 Q N -0.056 119.451 119.800 -0.489 0.000 2.135 313 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 313 Q C 2.378 178.275 176.000 -0.172 0.000 0.981 313 Q CA 1.518 57.063 55.803 -0.428 0.000 0.856 313 Q CB -0.806 27.669 28.738 -0.438 0.000 0.902 313 Q HN 0.415 nan 8.270 nan 0.000 0.425 314 G N 0.111 108.795 108.800 -0.192 0.000 2.679 314 G HA2 -0.181 3.779 3.960 0.000 0.000 0.212 314 G HA3 -0.181 3.779 3.960 0.000 0.000 0.212 314 G C 0.874 175.724 174.900 -0.084 0.000 1.137 314 G CA 0.141 45.161 45.100 -0.133 0.000 0.787 314 G HN 0.305 nan 8.290 nan 0.000 0.534 315 Q N -0.482 119.285 119.800 -0.056 0.000 2.159 315 Q HA 0.368 4.708 4.340 0.000 0.000 0.217 315 Q C 0.632 176.740 176.000 0.181 0.000 0.818 315 Q CA -0.374 55.468 55.803 0.065 0.000 1.008 315 Q CB 1.319 30.089 28.738 0.053 0.000 1.148 315 Q HN 0.298 nan 8.270 nan 0.000 0.491 316 A N 1.397 124.313 122.820 0.159 0.000 2.539 316 A HA 0.207 4.527 4.320 0.000 0.000 0.306 316 A C 0.904 178.603 177.584 0.191 0.000 1.392 316 A CA -0.114 52.049 52.037 0.210 0.000 1.060 316 A CB -0.263 18.872 19.000 0.225 0.000 1.134 316 A HN 0.408 nan 8.150 nan 0.000 0.542 317 L N 1.168 122.523 121.223 0.221 0.000 2.275 317 L HA -0.128 4.212 4.340 0.000 0.000 0.215 317 L C 2.000 178.981 176.870 0.185 0.000 1.119 317 L CA 1.086 56.048 54.840 0.204 0.000 0.790 317 L CB -0.444 41.759 42.059 0.240 0.000 0.919 317 L HN 0.787 nan 8.230 nan 0.000 0.443 318 D N 0.036 120.551 120.400 0.192 0.000 2.117 318 D HA -0.192 4.448 4.640 0.000 0.000 0.198 318 D C 1.821 178.192 176.300 0.119 0.000 0.982 318 D CA 1.090 55.174 54.000 0.140 0.000 0.828 318 D CB -0.247 40.651 40.800 0.164 0.000 0.967 318 D HN 0.146 nan 8.370 nan 0.000 0.464 319 K N 0.378 120.862 120.400 0.140 0.000 2.001 319 K HA -0.008 4.312 4.320 0.000 0.000 0.208 319 K C 2.334 178.991 176.600 0.095 0.000 1.048 319 K CA 0.363 56.719 56.287 0.114 0.000 0.932 319 K CB -0.372 32.202 32.500 0.122 0.000 0.715 319 K HN 0.252 nan 8.250 nan 0.000 0.437 320 I N 1.252 121.883 120.570 0.101 0.000 2.226 320 I HA -0.236 3.934 4.170 0.000 0.000 0.245 320 I C 2.424 178.598 176.117 0.095 0.000 1.100 320 I CA 0.875 62.229 61.300 0.090 0.000 1.374 320 I CB -0.995 37.060 38.000 0.092 0.000 1.057 320 I HN 0.056 nan 8.210 nan 0.000 0.413 321 L N 1.466 122.759 121.223 0.116 0.000 2.093 321 L HA -0.060 4.280 4.340 0.000 0.000 0.208 321 L C 2.551 179.484 176.870 0.105 0.000 1.085 321 L CA 1.909 56.827 54.840 0.130 0.000 0.755 321 L CB -0.816 41.355 42.059 0.187 0.000 0.904 321 L HN 0.178 nan 8.230 nan 0.000 0.435 322 A N -1.292 121.576 122.820 0.080 0.000 1.969 322 A HA -0.229 4.091 4.320 0.000 0.000 0.218 322 A C 2.166 179.781 177.584 0.051 0.000 1.169 322 A CA 1.621 53.690 52.037 0.053 0.000 0.635 322 A CB -0.456 18.564 19.000 0.034 0.000 0.810 322 A HN 0.637 nan 8.150 nan 0.000 0.445 323 Q N -1.011 118.824 119.800 0.057 0.000 2.230 323 Q HA -0.062 4.278 4.340 0.000 0.000 0.202 323 Q C 2.083 178.114 176.000 0.052 0.000 0.963 323 Q CA 0.823 56.656 55.803 0.050 0.000 0.866 323 Q CB -0.030 28.738 28.738 0.050 0.000 0.931 323 Q HN 0.427 nan 8.270 nan 0.000 0.452 324 R N 0.921 121.459 120.500 0.063 0.000 2.161 324 R HA 0.056 4.396 4.340 0.000 0.000 0.213 324 R C 0.088 176.427 176.300 0.064 0.000 1.055 324 R CA 0.367 56.505 56.100 0.064 0.000 0.996 324 R CB -0.049 30.297 30.300 0.077 0.000 0.901 324 R HN 0.144 nan 8.270 nan 0.000 0.456 325 K N 1.346 121.787 120.400 0.069 0.000 4.387 325 K HA -0.116 4.204 4.320 0.000 0.000 0.290 325 K C -2.339 174.304 176.600 0.072 0.000 0.936 325 K CA 0.052 56.379 56.287 0.067 0.000 0.890 325 K CB -0.995 31.534 32.500 0.049 0.000 1.617 325 K HN 0.251 nan 8.250 nan 0.000 0.437 326 P HA 0.002 nan 4.420 nan 0.000 0.272 326 P C 0.571 177.911 177.300 0.068 0.000 1.240 326 P CA -0.002 63.147 63.100 0.081 0.000 0.791 326 P CB 0.793 32.553 31.700 0.101 0.000 0.978 327 T N -3.705 110.875 114.554 0.043 0.000 3.084 327 T HA 0.197 4.547 4.350 0.000 0.000 0.270 327 T C 0.407 175.099 174.700 -0.015 0.000 1.008 327 T CA -0.240 61.875 62.100 0.025 0.000 0.900 327 T CB -0.420 68.461 68.868 0.021 0.000 1.084 327 T HN 0.076 nan 8.240 nan 0.000 0.538 328 V N 3.900 123.799 119.914 -0.024 0.000 2.488 328 V HA 0.321 4.441 4.120 0.000 0.000 0.277 328 V C -2.222 173.811 176.094 -0.101 0.000 1.046 328 V CA -2.016 60.225 62.300 -0.098 0.000 0.986 328 V CB 0.803 32.577 31.823 -0.082 0.000 0.989 328 V HN 0.249 nan 8.190 nan 0.000 0.475 329 P HA 0.119 nan 4.420 nan 0.000 0.264 329 P C -0.514 176.831 177.300 0.076 0.000 1.183 329 P CA 0.553 63.576 63.100 -0.129 0.000 0.763 329 P CB 0.306 31.607 31.700 -0.664 0.000 0.807 330 M N 2.867 122.605 119.600 0.230 0.000 2.464 330 M HA 0.455 4.935 4.480 0.000 0.000 0.308 330 M C -0.940 175.385 176.300 0.042 0.000 1.127 330 M CA -0.840 54.513 55.300 0.088 0.000 0.913 330 M CB 2.231 34.799 32.600 -0.054 0.000 1.689 330 M HN 0.073 nan 8.290 nan 0.000 0.445 331 L N 2.722 123.875 121.223 -0.117 0.000 2.388 331 L HA 0.540 4.880 4.340 0.000 0.000 0.267 331 L C -2.043 174.704 176.870 -0.204 0.000 0.995 331 L CA 0.067 54.797 54.840 -0.184 0.000 0.864 331 L CB 0.808 42.732 42.059 -0.226 0.000 1.216 331 L HN 0.628 nan 8.230 nan 0.000 0.430 332 W N 4.341 125.618 121.300 -0.038 0.000 2.365 332 W HA 0.589 5.249 4.660 0.000 0.000 0.316 332 W C 0.428 176.861 176.519 -0.144 0.000 1.164 332 W CA -0.148 57.177 57.345 -0.033 0.000 1.204 332 W CB 1.069 30.553 29.460 0.041 0.000 1.213 332 W HN 0.397 nan 8.180 nan 0.000 0.539 333 E N 3.444 123.704 120.200 0.101 0.000 2.340 333 E HA 0.391 4.741 4.350 0.000 0.000 0.273 333 E C -1.282 175.348 176.600 0.051 0.000 0.891 333 E CA -0.712 55.671 56.400 -0.028 0.000 0.757 333 E CB 2.270 31.874 29.700 -0.160 0.000 1.231 333 E HN 0.678 nan 8.360 nan 0.000 0.439 334 Q N 1.239 121.061 119.800 0.038 0.000 2.527 334 Q HA 0.608 4.948 4.340 0.000 0.000 0.280 334 Q C -0.875 175.177 176.000 0.086 0.000 0.977 334 Q CA -1.094 54.763 55.803 0.090 0.000 0.837 334 Q CB 0.775 29.557 28.738 0.074 0.000 1.454 334 Q HN 0.481 nan 8.270 nan 0.000 0.387 335 G N 1.097 109.991 108.800 0.157 0.000 2.444 335 G HA2 0.380 4.340 3.960 0.000 0.000 0.268 335 G HA3 0.380 4.340 3.960 0.000 0.000 0.268 335 G C 0.345 175.176 174.900 -0.115 0.000 1.203 335 G CA -0.846 44.313 45.100 0.098 0.000 0.835 335 G HN 0.652 nan 8.290 nan 0.000 0.543 336 L N 0.390 121.406 121.223 -0.345 0.000 2.275 336 L HA 0.017 4.357 4.340 0.000 0.000 0.215 336 L C 1.017 177.554 176.870 -0.555 0.000 1.119 336 L CA 0.715 55.222 54.840 -0.555 0.000 0.790 336 L CB 0.026 41.537 42.059 -0.914 0.000 0.919 336 L HN 0.552 nan 8.230 nan 0.000 0.443 337 W N 0.059 121.286 121.300 -0.122 0.000 1.931 337 W HA 0.215 4.875 4.660 0.000 0.000 0.346 337 W C -0.021 176.432 176.519 -0.109 0.000 0.775 337 W CA -1.013 56.251 57.345 -0.135 0.000 2.738 337 W CB 0.036 29.406 29.460 -0.150 0.000 1.908 337 W HN -0.077 nan 8.180 nan 0.000 0.665 338 D N 2.360 122.822 120.400 0.103 0.000 2.338 338 D HA -0.038 4.602 4.640 0.000 0.000 0.255 338 D C 1.472 177.812 176.300 0.067 0.000 1.237 338 D CA 0.535 54.619 54.000 0.139 0.000 0.883 338 D CB 1.144 42.051 40.800 0.177 0.000 1.087 338 D HN 0.137 nan 8.370 nan 0.000 0.485 339 Q N 2.805 122.594 119.800 -0.018 0.000 2.403 339 Q HA 0.005 4.345 4.340 0.000 0.000 0.203 339 Q C 0.188 176.182 176.000 -0.010 0.000 0.932 339 Q CA 0.729 56.450 55.803 -0.137 0.000 0.945 339 Q CB 0.327 28.775 28.738 -0.482 0.000 1.045 339 Q HN 0.587 nan 8.270 nan 0.000 0.511 340 E N 0.065 120.244 120.200 -0.035 0.000 2.414 340 E HA 0.128 4.478 4.350 0.000 0.000 0.208 340 E C -0.326 176.187 176.600 -0.145 0.000 0.820 340 E CA 0.129 56.433 56.400 -0.159 0.000 1.143 340 E CB 0.783 30.139 29.700 -0.572 0.000 1.150 340 E HN 0.264 nan 8.360 nan 0.000 0.540 341 D N 0.732 121.114 120.400 -0.029 0.000 2.735 341 D HA 0.102 4.742 4.640 0.000 0.000 0.291 341 D C 0.209 176.617 176.300 0.180 0.000 1.205 341 D CA 0.011 54.064 54.000 0.089 0.000 0.777 341 D CB 1.173 42.063 40.800 0.150 0.000 1.234 341 D HN 0.016 nan 8.370 nan 0.000 0.520 342 M N 0.227 119.935 119.600 0.181 0.000 2.349 342 M HA 0.041 4.521 4.480 0.000 0.000 0.266 342 M C 1.574 177.994 176.300 0.200 0.000 1.076 342 M CA 1.094 56.499 55.300 0.174 0.000 1.126 342 M CB 0.108 32.822 32.600 0.190 0.000 1.392 342 M HN 0.411 nan 8.290 nan 0.000 0.440 343 W N 0.303 121.602 121.300 -0.002 0.000 2.441 343 W HA 0.032 4.692 4.660 0.000 0.000 0.302 343 W C 1.706 178.325 176.519 0.166 0.000 1.191 343 W CA 1.557 58.924 57.345 0.036 0.000 1.327 343 W CB -0.867 28.465 29.460 -0.214 0.000 1.128 343 W HN 0.311 nan 8.180 nan 0.000 0.522 344 G N 1.447 110.453 108.800 0.343 0.000 2.812 344 G HA2 -0.407 3.553 3.960 0.000 0.000 0.218 344 G HA3 -0.407 3.553 3.960 0.000 0.000 0.218 344 G C 1.674 176.667 174.900 0.155 0.000 1.287 344 G CA 2.686 47.952 45.100 0.277 0.000 0.796 344 G HN 0.378 nan 8.290 nan 0.000 0.649 345 A N 0.298 123.224 122.820 0.176 0.000 1.873 345 A HA -0.078 4.242 4.320 0.000 0.000 0.218 345 A C 2.507 180.065 177.584 -0.043 0.000 1.193 345 A CA 1.918 54.051 52.037 0.160 0.000 0.629 345 A CB -0.540 18.593 19.000 0.221 0.000 0.826 345 A HN 0.553 nan 8.150 nan 0.000 0.447 346 I N -1.676 118.868 120.570 -0.044 0.000 2.252 346 I HA -0.257 3.913 4.170 0.000 0.000 0.245 346 I C 2.333 178.368 176.117 -0.137 0.000 1.102 346 I CA 1.893 63.152 61.300 -0.068 0.000 1.385 346 I CB -0.169 37.752 38.000 -0.132 0.000 1.064 346 I HN 0.493 nan 8.210 nan 0.000 0.414 347 H N 0.367 119.277 119.070 -0.267 0.000 2.389 347 H HA -0.003 4.553 4.556 0.000 0.000 0.299 347 H C 2.216 177.407 175.328 -0.228 0.000 1.081 347 H CA 1.484 57.337 56.048 -0.325 0.000 1.345 347 H CB -0.135 29.256 29.762 -0.619 0.000 1.393 347 H HN 0.443 nan 8.280 nan 0.000 0.520 348 A N 0.182 122.883 122.820 -0.199 0.000 1.898 348 A HA -0.174 4.146 4.320 0.000 0.000 0.216 348 A C 2.112 179.331 177.584 -0.607 0.000 1.181 348 A CA 1.312 53.093 52.037 -0.427 0.000 0.620 348 A CB -1.080 17.473 19.000 -0.745 0.000 0.819 348 A HN 0.683 nan 8.150 nan 0.000 0.442 349 W N 0.673 121.428 121.300 -0.909 0.000 2.358 349 W HA -0.204 4.456 4.660 0.000 0.000 0.303 349 W C 2.128 178.469 176.519 -0.296 0.000 1.208 349 W CA 2.061 58.983 57.345 -0.705 0.000 1.274 349 W CB -0.171 28.977 29.460 -0.520 0.000 1.138 349 W HN 0.387 nan 8.180 nan 0.000 0.515 350 Q N 0.820 120.416 119.800 -0.341 0.000 2.172 350 Q HA -0.046 4.294 4.340 0.000 0.000 0.200 350 Q C 2.190 177.969 176.000 -0.368 0.000 0.964 350 Q CA 2.357 57.858 55.803 -0.504 0.000 0.855 350 Q CB -0.752 27.844 28.738 -0.237 0.000 0.918 350 Q HN 0.281 nan 8.270 nan 0.000 0.444 351 A N -0.017 122.659 122.820 -0.240 0.000 1.930 351 A HA -0.088 4.232 4.320 0.000 0.000 0.217 351 A C 2.037 179.533 177.584 -0.146 0.000 1.175 351 A CA 1.243 53.197 52.037 -0.137 0.000 0.627 351 A CB -0.626 18.339 19.000 -0.058 0.000 0.815 351 A HN 0.440 nan 8.150 nan 0.000 0.443 352 L N -0.788 120.320 121.223 -0.192 0.000 2.072 352 L HA -0.134 4.206 4.340 0.000 0.000 0.205 352 L C 2.608 179.369 176.870 -0.180 0.000 1.079 352 L CA 1.693 56.460 54.840 -0.121 0.000 0.752 352 L CB -0.364 41.671 42.059 -0.041 0.000 0.906 352 L HN 0.425 nan 8.230 nan 0.000 0.436 353 K N 0.068 120.247 120.400 -0.367 0.000 2.097 353 K HA -0.193 4.127 4.320 0.000 0.000 0.206 353 K C 1.429 177.890 176.600 -0.231 0.000 1.049 353 K CA 1.595 57.656 56.287 -0.377 0.000 0.933 353 K CB 0.070 32.143 32.500 -0.712 0.000 0.717 353 K HN 0.253 nan 8.250 nan 0.000 0.442 354 D N -0.105 120.168 120.400 -0.212 0.000 2.277 354 D HA -0.044 4.596 4.640 0.000 0.000 0.208 354 D C 1.173 177.428 176.300 -0.075 0.000 0.962 354 D CA 0.751 54.674 54.000 -0.128 0.000 0.865 354 D CB 0.246 40.980 40.800 -0.110 0.000 0.939 354 D HN 0.291 nan 8.370 nan 0.000 0.510 355 A N 0.309 123.089 122.820 -0.067 0.000 2.307 355 A HA -0.008 4.312 4.320 0.000 0.000 0.218 355 A C 0.428 178.000 177.584 -0.020 0.000 1.228 355 A CA -0.005 52.015 52.037 -0.029 0.000 0.857 355 A CB 0.039 19.031 19.000 -0.013 0.000 0.897 355 A HN 0.033 nan 8.150 nan 0.000 0.495 356 D N -0.144 120.235 120.400 -0.035 0.000 2.812 356 D HA -0.142 4.498 4.640 0.000 0.000 0.237 356 D C -0.038 176.264 176.300 0.004 0.000 1.162 356 D CA 0.832 54.821 54.000 -0.018 0.000 0.740 356 D CB -1.178 39.618 40.800 -0.007 0.000 1.000 356 D HN 0.352 nan 8.370 nan 0.000 0.416 357 V N 2.077 121.994 119.914 0.005 0.000 2.763 357 V HA -0.014 4.106 4.120 0.000 0.000 0.306 357 V C 0.753 176.878 176.094 0.051 0.000 1.059 357 V CA 0.434 62.756 62.300 0.037 0.000 1.138 357 V CB 1.078 32.936 31.823 0.059 0.000 0.940 357 V HN 0.137 nan 8.190 nan 0.000 0.489 358 K N 6.084 126.518 120.400 0.056 0.000 2.559 358 K HA 0.670 4.990 4.320 0.000 0.000 0.236 358 K C -0.346 176.295 176.600 0.069 0.000 1.185 358 K CA 0.279 56.602 56.287 0.060 0.000 1.157 358 K CB 0.517 33.046 32.500 0.048 0.000 1.782 358 K HN 0.852 nan 8.250 nan 0.000 0.419 359 A N 1.278 124.152 122.820 0.090 0.000 2.583 359 A HA 0.486 4.806 4.320 0.000 0.000 0.292 359 A C -2.985 174.692 177.584 0.154 0.000 1.045 359 A CA -1.196 50.901 52.037 0.100 0.000 0.672 359 A CB 0.779 19.820 19.000 0.068 0.000 1.283 359 A HN 0.092 nan 8.150 nan 0.000 0.419 360 P HA 0.264 nan 4.420 nan 0.000 0.262 360 P C -0.722 176.753 177.300 0.291 0.000 1.182 360 P CA 0.624 63.893 63.100 0.282 0.000 0.761 360 P CB 0.245 32.202 31.700 0.428 0.000 0.795 361 N N 1.388 120.275 118.700 0.312 0.000 2.653 361 N HA 0.219 4.959 4.740 0.000 0.000 0.261 361 N C -1.602 174.238 175.510 0.549 0.000 1.216 361 N CA -0.285 53.023 53.050 0.430 0.000 0.784 361 N CB 0.701 39.393 38.487 0.342 0.000 1.327 361 N HN 0.060 nan 8.380 nan 0.000 0.539 362 T N 2.320 117.109 114.554 0.392 0.000 2.829 362 T HA 0.464 4.814 4.350 0.000 0.000 0.280 362 T C -0.835 173.851 174.700 -0.023 0.000 0.999 362 T CA -0.431 61.788 62.100 0.197 0.000 0.983 362 T CB 1.208 70.057 68.868 -0.031 0.000 0.968 362 T HN 0.340 nan 8.240 nan 0.000 0.446 363 L N 4.502 125.431 121.223 -0.491 0.000 2.295 363 L HA 0.717 5.057 4.340 0.000 0.000 0.285 363 L C -1.079 175.472 176.870 -0.533 0.000 1.035 363 L CA -0.354 54.024 54.840 -0.771 0.000 0.806 363 L CB 1.065 42.129 42.059 -1.659 0.000 1.214 363 L HN 0.426 nan 8.230 nan 0.000 0.426 364 V N 6.465 126.148 119.914 -0.386 0.000 2.487 364 V HA 0.562 4.682 4.120 0.000 0.000 0.298 364 V C -0.165 175.727 176.094 -0.337 0.000 1.028 364 V CA -0.483 61.600 62.300 -0.362 0.000 0.860 364 V CB 1.612 33.209 31.823 -0.376 0.000 0.991 364 V HN 0.773 nan 8.190 nan 0.000 0.427 365 M N 3.944 123.324 119.600 -0.366 0.000 2.165 365 M HA 0.596 5.076 4.480 0.000 0.000 0.283 365 M C 0.168 176.087 176.300 -0.635 0.000 0.978 365 M CA -0.188 54.850 55.300 -0.438 0.000 0.948 365 M CB 2.182 34.516 32.600 -0.444 0.000 1.599 365 M HN 0.785 nan 8.290 nan 0.000 0.450 366 G N 2.366 110.427 108.800 -1.231 0.000 2.597 366 G HA2 0.772 4.732 3.960 0.000 0.000 0.317 366 G HA3 0.772 4.732 3.960 0.000 0.000 0.317 366 G C -2.847 171.007 174.900 -1.743 0.000 1.230 366 G CA -1.344 42.508 45.100 -2.080 0.000 0.996 366 G HN 0.405 nan 8.290 nan 0.000 0.490 367 P HA 0.215 nan 4.420 nan 0.000 0.219 367 P C -1.130 175.795 177.300 -0.625 0.000 1.832 367 P CA -0.112 62.293 63.100 -1.159 0.000 1.014 367 P CB -0.089 30.426 31.700 -1.975 0.000 1.939 368 W N 2.311 123.552 121.300 -0.098 0.000 2.975 368 W HA 0.399 5.059 4.660 0.000 0.000 0.342 368 W C 0.517 177.095 176.519 0.099 0.000 1.168 368 W CA -0.805 56.548 57.345 0.013 0.000 1.141 368 W CB 0.907 30.345 29.460 -0.037 0.000 1.445 368 W HN 0.070 nan 8.180 nan 0.000 0.560 369 R N -0.196 120.511 120.500 0.344 0.000 2.517 369 R HA 0.353 4.693 4.340 0.000 0.000 0.250 369 R C -0.114 176.328 176.300 0.237 0.000 1.213 369 R CA -0.631 55.602 56.100 0.222 0.000 1.146 369 R CB -0.424 29.947 30.300 0.118 0.000 1.279 369 R HN 0.366 nan 8.270 nan 0.000 0.597 370 H N -0.012 119.125 119.070 0.111 0.000 3.107 370 H HA 0.059 4.615 4.556 0.000 0.000 0.301 370 H C -0.278 175.145 175.328 0.158 0.000 0.981 370 H CA 1.565 57.692 56.048 0.132 0.000 1.443 370 H CB 0.041 29.877 29.762 0.124 0.000 1.479 370 H HN 0.701 nan 8.280 nan 0.000 0.564 371 S N 1.857 117.373 115.700 -0.306 0.000 3.261 371 S HA -0.232 4.238 4.470 0.000 0.000 0.287 371 S C 1.834 176.441 174.600 0.011 0.000 1.281 371 S CA 0.885 58.971 58.200 -0.190 0.000 1.053 371 S CB -1.657 61.455 63.200 -0.147 0.000 1.251 371 S HN 1.019 nan 8.310 nan 0.000 0.659 372 G N 0.502 109.321 108.800 0.031 0.000 2.470 372 G HA2 -0.081 3.879 3.960 0.000 0.000 0.220 372 G HA3 -0.081 3.879 3.960 0.000 0.000 0.220 372 G C 1.204 175.874 174.900 -0.384 0.000 1.121 372 G CA 0.942 46.058 45.100 0.027 0.000 0.766 372 G HN 0.709 nan 8.290 nan 0.000 0.553 373 V N 1.037 120.521 119.914 -0.717 0.000 2.828 373 V HA -0.086 4.034 4.120 0.000 0.000 0.260 373 V C 1.590 177.372 176.094 -0.520 0.000 1.101 373 V CA 1.657 63.308 62.300 -1.082 0.000 1.123 373 V CB -0.341 30.917 31.823 -0.942 0.000 0.704 373 V HN 0.331 nan 8.190 nan 0.000 0.493 374 N N -1.355 117.086 118.700 -0.433 0.000 2.270 374 N HA 0.165 4.905 4.740 0.000 0.000 0.198 374 N C -0.196 174.774 175.510 -0.900 0.000 1.117 374 N CA 0.247 52.949 53.050 -0.581 0.000 0.845 374 N CB 0.391 38.498 38.487 -0.633 0.000 0.980 374 N HN 0.624 nan 8.380 nan 0.000 0.486 375 Y N -0.643 119.591 120.300 -0.109 0.000 3.345 375 Y HA 0.304 4.854 4.550 0.000 0.000 0.279 375 Y C 0.475 176.348 175.900 -0.043 0.000 1.980 375 Y CA -1.158 56.909 58.100 -0.056 0.000 0.912 375 Y CB 0.216 38.653 38.460 -0.038 0.000 1.460 375 Y HN -0.243 nan 8.280 nan 0.000 0.605 376 N N 0.551 119.367 118.700 0.194 0.000 2.422 376 N HA 0.225 4.965 4.740 0.000 0.000 0.266 376 N C -0.239 175.368 175.510 0.161 0.000 1.007 376 N CA 0.110 53.241 53.050 0.135 0.000 0.941 376 N CB 1.517 40.070 38.487 0.109 0.000 1.115 376 N HN 0.869 nan 8.380 nan 0.000 0.492 377 G N 1.729 110.651 108.800 0.203 0.000 3.820 377 G HA2 0.057 4.017 3.960 0.000 0.000 0.293 377 G HA3 0.057 4.017 3.960 0.000 0.000 0.293 377 G C 0.695 175.819 174.900 0.373 0.000 1.152 377 G CA -0.279 45.030 45.100 0.348 0.000 0.921 377 G HN 0.542 nan 8.290 nan 0.000 0.544 378 S N -0.038 115.826 115.700 0.274 0.000 2.436 378 S HA 0.081 4.551 4.470 0.000 0.000 0.228 378 S C 1.395 176.103 174.600 0.181 0.000 1.014 378 S CA 1.018 59.353 58.200 0.225 0.000 0.950 378 S CB 0.190 63.462 63.200 0.120 0.000 0.784 378 S HN 0.720 nan 8.310 nan 0.000 0.504 379 T N -0.955 113.702 114.554 0.172 0.000 2.816 379 T HA 0.700 5.050 4.350 0.000 0.000 0.299 379 T C -1.702 173.066 174.700 0.114 0.000 1.230 379 T CA -0.823 61.241 62.100 -0.060 0.000 1.007 379 T CB 1.828 70.634 68.868 -0.104 0.000 1.289 379 T HN -0.040 nan 8.240 nan 0.000 0.508 380 L N 1.168 122.354 121.223 -0.061 0.000 2.676 380 L HA 0.625 4.965 4.340 0.000 0.000 0.262 380 L C 0.561 177.334 176.870 -0.162 0.000 0.965 380 L CA 1.496 56.341 54.840 0.008 0.000 0.920 380 L CB 0.843 43.009 42.059 0.178 0.000 1.260 380 L HN 1.648 nan 8.230 nan 0.000 0.422 381 G N 5.542 114.270 108.800 -0.120 0.000 2.583 381 G HA2 -0.262 3.698 3.960 0.000 0.000 0.292 381 G HA3 -0.262 3.698 3.960 0.000 0.000 0.292 381 G C -1.735 173.069 174.900 -0.160 0.000 1.203 381 G CA 0.198 45.221 45.100 -0.128 0.000 0.987 381 G HN 0.607 nan 8.290 nan 0.000 0.554 382 P HA 0.262 nan 4.420 nan 0.000 0.249 382 P C 0.793 177.901 177.300 -0.320 0.000 1.229 382 P CA 0.251 63.221 63.100 -0.217 0.000 0.788 382 P CB 0.023 31.602 31.700 -0.201 0.000 1.072 383 L N 0.498 121.476 121.223 -0.409 0.000 2.395 383 L HA 0.270 4.610 4.340 0.000 0.000 0.269 383 L C 0.614 177.037 176.870 -0.745 0.000 1.133 383 L CA -0.103 54.398 54.840 -0.565 0.000 0.812 383 L CB 0.429 42.114 42.059 -0.623 0.000 1.125 383 L HN -0.122 nan 8.230 nan 0.000 0.452 384 E N 1.966 121.726 120.200 -0.733 0.000 2.234 384 E HA 0.512 4.862 4.350 0.000 0.000 0.266 384 E C -1.380 174.865 176.600 -0.593 0.000 0.877 384 E CA -0.532 55.507 56.400 -0.602 0.000 0.758 384 E CB 2.033 31.569 29.700 -0.274 0.000 1.170 384 E HN 0.206 nan 8.360 nan 0.000 0.415 385 F N 0.424 120.365 119.950 -0.015 0.000 2.585 385 F HA 0.294 4.821 4.527 0.000 0.000 0.350 385 F C 0.907 176.732 175.800 0.042 0.000 1.074 385 F CA -1.107 56.891 58.000 -0.004 0.000 1.032 385 F CB 0.711 39.606 39.000 -0.176 0.000 1.330 385 F HN 0.200 nan 8.300 nan 0.000 0.495 386 E N 1.731 122.117 120.200 0.309 0.000 1.802 386 E HA 0.401 4.751 4.350 0.000 0.000 0.265 386 E C 0.518 177.245 176.600 0.211 0.000 1.168 386 E CA 0.160 56.692 56.400 0.220 0.000 1.033 386 E CB -0.099 29.731 29.700 0.217 0.000 1.095 386 E HN 0.782 nan 8.360 nan 0.000 0.436 387 G N 3.067 111.973 108.800 0.176 0.000 2.760 387 G HA2 -0.254 3.706 3.960 0.000 0.000 0.246 387 G HA3 -0.254 3.706 3.960 0.000 0.000 0.246 387 G C -0.397 174.628 174.900 0.208 0.000 1.359 387 G CA -0.585 44.619 45.100 0.174 0.000 0.861 387 G HN 0.480 nan 8.290 nan 0.000 0.541 388 D N 0.856 121.382 120.400 0.210 0.000 2.441 388 D HA 0.327 4.967 4.640 0.000 0.000 0.243 388 D C 2.173 178.670 176.300 0.328 0.000 1.257 388 D CA 0.822 54.966 54.000 0.241 0.000 1.027 388 D CB -0.075 40.842 40.800 0.195 0.000 1.084 388 D HN 0.766 nan 8.370 nan 0.000 0.514 389 T N 0.484 115.253 114.554 0.358 0.000 2.929 389 T HA -0.107 4.243 4.350 0.000 0.000 0.271 389 T C 1.777 176.911 174.700 0.725 0.000 1.085 389 T CA 0.881 63.292 62.100 0.519 0.000 1.125 389 T CB 0.024 68.995 68.868 0.172 0.000 0.874 389 T HN 0.244 nan 8.240 nan 0.000 0.494 390 A N 1.464 124.586 122.820 0.503 0.000 1.854 390 A HA -0.040 4.280 4.320 0.000 0.000 0.214 390 A C 2.215 179.925 177.584 0.210 0.000 1.192 390 A CA 1.773 53.904 52.037 0.157 0.000 0.611 390 A CB -1.251 17.639 19.000 -0.184 0.000 0.832 390 A HN 0.690 nan 8.150 nan 0.000 0.442 391 H N -0.181 118.958 119.070 0.115 0.000 2.387 391 H HA -0.111 4.445 4.556 0.000 0.000 0.299 391 H C 2.108 177.481 175.328 0.076 0.000 1.090 391 H CA 2.191 58.275 56.048 0.059 0.000 1.332 391 H CB -0.182 29.608 29.762 0.046 0.000 1.386 391 H HN 0.593 nan 8.280 nan 0.000 0.516 392 Q N -1.028 118.846 119.800 0.124 0.000 2.061 392 Q HA -0.227 4.113 4.340 0.000 0.000 0.204 392 Q C 2.041 178.010 176.000 -0.052 0.000 0.984 392 Q CA 1.870 57.705 55.803 0.054 0.000 0.846 392 Q CB -0.381 28.529 28.738 0.287 0.000 0.902 392 Q HN 0.678 nan 8.270 nan 0.000 0.421 393 Y N 1.137 121.407 120.300 -0.051 0.000 2.181 393 Y HA -0.213 4.337 4.550 0.000 0.000 0.288 393 Y C 2.109 177.943 175.900 -0.110 0.000 1.146 393 Y CA 1.442 59.450 58.100 -0.153 0.000 1.164 393 Y CB 0.081 38.569 38.460 0.047 0.000 0.982 393 Y HN -0.082 nan 8.280 nan 0.000 0.515 394 R N -0.040 120.289 120.500 -0.285 0.000 2.096 394 R HA -0.163 4.177 4.340 0.000 0.000 0.235 394 R C 2.501 178.504 176.300 -0.494 0.000 1.127 394 R CA 1.696 57.557 56.100 -0.398 0.000 0.968 394 R CB -0.308 29.864 30.300 -0.212 0.000 0.861 394 R HN 0.388 nan 8.270 nan 0.000 0.440 395 R N 0.503 120.712 120.500 -0.484 0.000 2.090 395 R HA -0.065 4.275 4.340 0.000 0.000 0.219 395 R C 0.926 177.043 176.300 -0.304 0.000 1.100 395 R CA 1.360 57.196 56.100 -0.439 0.000 0.991 395 R CB 0.231 30.223 30.300 -0.513 0.000 0.893 395 R HN 0.086 nan 8.270 nan 0.000 0.443 396 D N -0.413 119.831 120.400 -0.261 0.000 2.305 396 D HA -0.013 4.627 4.640 0.000 0.000 0.206 396 D C 1.553 177.764 176.300 -0.148 0.000 0.974 396 D CA 0.698 54.595 54.000 -0.172 0.000 0.871 396 D CB 0.676 41.393 40.800 -0.139 0.000 0.947 396 D HN 0.120 nan 8.370 nan 0.000 0.516 397 V N -0.001 119.772 119.914 -0.235 0.000 3.054 397 V HA -0.002 4.118 4.120 0.000 0.000 0.227 397 V C 1.770 177.796 176.094 -0.113 0.000 1.252 397 V CA -0.134 62.065 62.300 -0.168 0.000 1.279 397 V CB -0.167 31.546 31.823 -0.184 0.000 1.118 397 V HN -0.048 nan 8.190 nan 0.000 0.504 398 F N 2.401 121.966 119.950 -0.642 0.000 2.043 398 F HA -0.208 4.319 4.527 0.000 0.000 0.297 398 F C 2.610 178.284 175.800 -0.210 0.000 1.121 398 F CA 2.631 60.327 58.000 -0.507 0.000 1.199 398 F CB -0.611 37.888 39.000 -0.834 0.000 0.968 398 F HN 0.102 nan 8.300 nan 0.000 0.478 399 R N 0.700 121.023 120.500 -0.295 0.000 2.082 399 R HA -0.129 4.211 4.340 0.000 0.000 0.234 399 R C -0.788 175.495 176.300 -0.029 0.000 1.136 399 R CA 2.135 57.984 56.100 -0.417 0.000 0.935 399 R CB -1.927 28.005 30.300 -0.613 0.000 0.842 399 R HN 0.187 nan 8.270 nan 0.000 0.430 400 P HA -0.119 nan 4.420 nan 0.000 0.215 400 P C 1.084 178.495 177.300 0.184 0.000 1.153 400 P CA 1.240 64.379 63.100 0.065 0.000 0.853 400 P CB -0.242 31.476 31.700 0.030 0.000 0.788 401 F N -1.227 118.816 119.950 0.155 0.000 2.134 401 F HA -0.196 4.331 4.527 0.000 0.000 0.299 401 F C 1.957 178.029 175.800 0.454 0.000 1.097 401 F CA 1.363 59.532 58.000 0.282 0.000 1.264 401 F CB -0.463 38.743 39.000 0.343 0.000 1.001 401 F HN -0.231 nan 8.300 nan 0.000 0.479 402 F N 1.113 121.225 119.950 0.271 0.000 2.146 402 F HA -0.150 4.377 4.527 0.000 0.000 0.298 402 F C 2.232 178.136 175.800 0.173 0.000 1.096 402 F CA 1.460 59.599 58.000 0.231 0.000 1.275 402 F CB -1.073 38.135 39.000 0.347 0.000 1.008 402 F HN -0.037 nan 8.300 nan 0.000 0.480 403 D N -0.089 120.505 120.400 0.323 0.000 2.149 403 D HA -0.208 4.432 4.640 0.000 0.000 0.198 403 D C 2.200 178.479 176.300 -0.034 0.000 0.990 403 D CA 1.261 55.359 54.000 0.164 0.000 0.839 403 D CB -0.403 40.467 40.800 0.117 0.000 0.948 403 D HN 0.388 nan 8.370 nan 0.000 0.460 404 E N -0.684 119.418 120.200 -0.164 0.000 2.097 404 E HA -0.219 4.131 4.350 0.000 0.000 0.196 404 E C 1.214 177.469 176.600 -0.575 0.000 1.000 404 E CA 1.119 57.249 56.400 -0.449 0.000 0.804 404 E CB -0.055 29.216 29.700 -0.714 0.000 0.740 404 E HN 0.447 nan 8.360 nan 0.000 0.454 405 Y N -0.947 119.230 120.300 -0.205 0.000 2.458 405 Y HA 0.205 4.755 4.550 0.000 0.000 0.254 405 Y C 1.610 177.404 175.900 -0.176 0.000 1.120 405 Y CA -0.051 57.919 58.100 -0.218 0.000 1.282 405 Y CB 0.617 38.880 38.460 -0.328 0.000 1.109 405 Y HN 0.009 nan 8.280 nan 0.000 0.526 406 L N -0.762 120.448 121.223 -0.021 0.000 2.672 406 L HA 0.202 4.542 4.340 0.000 0.000 0.236 406 L C 0.125 176.936 176.870 -0.098 0.000 1.092 406 L CA 0.408 55.218 54.840 -0.050 0.000 0.887 406 L CB 0.437 42.501 42.059 0.009 0.000 1.168 406 L HN -0.158 nan 8.230 nan 0.000 0.502 407 K N 1.333 121.682 120.400 -0.084 0.000 2.540 407 K HA 0.324 4.644 4.320 0.000 0.000 0.218 407 K C -2.499 174.047 176.600 -0.090 0.000 1.017 407 K CA -1.804 54.424 56.287 -0.099 0.000 1.029 407 K CB 1.386 33.837 32.500 -0.081 0.000 1.348 407 K HN -0.228 nan 8.250 nan 0.000 0.508 408 P HA -0.096 nan 4.420 nan 0.000 0.261 408 P C 0.777 178.034 177.300 -0.072 0.000 1.173 408 P CA 1.143 64.195 63.100 -0.080 0.000 0.760 408 P CB 0.642 32.301 31.700 -0.068 0.000 0.783 409 G N 1.550 110.306 108.800 -0.072 0.000 2.194 409 G HA2 -0.215 3.745 3.960 0.000 0.000 0.236 409 G HA3 -0.215 3.745 3.960 0.000 0.000 0.236 409 G C 0.374 175.237 174.900 -0.063 0.000 0.987 409 G CA -0.112 44.952 45.100 -0.060 0.000 0.635 409 G HN 0.569 nan 8.290 nan 0.000 0.520 410 S N 0.791 116.444 115.700 -0.079 0.000 2.592 410 S HA 0.646 5.116 4.470 0.000 0.000 0.271 410 S C 0.920 175.466 174.600 -0.089 0.000 1.326 410 S CA 0.184 58.338 58.200 -0.076 0.000 1.024 410 S CB 1.434 64.587 63.200 -0.079 0.000 0.921 410 S HN 1.608 nan 8.310 nan 0.000 0.527 411 A N 2.605 125.384 122.820 -0.069 0.000 2.531 411 A HA 0.346 4.666 4.320 0.000 0.000 0.236 411 A C 0.610 178.130 177.584 -0.106 0.000 1.062 411 A CA -0.145 51.853 52.037 -0.065 0.000 0.760 411 A CB -0.033 18.944 19.000 -0.039 0.000 0.995 411 A HN 0.663 nan 8.150 nan 0.000 0.501 412 S N -0.357 115.274 115.700 -0.116 0.000 2.584 412 S HA 0.476 4.946 4.470 0.000 0.000 0.273 412 S C 0.148 174.621 174.600 -0.212 0.000 1.311 412 S CA -0.073 58.000 58.200 -0.212 0.000 1.034 412 S CB 1.018 64.085 63.200 -0.222 0.000 0.939 412 S HN 1.400 nan 8.310 nan 0.000 0.513 413 V N 1.296 121.054 119.914 -0.261 0.000 2.680 413 V HA 0.587 4.707 4.120 0.000 0.000 0.309 413 V C -0.902 175.043 176.094 -0.249 0.000 1.052 413 V CA -0.684 61.542 62.300 -0.123 0.000 0.908 413 V CB 1.620 33.486 31.823 0.072 0.000 1.001 413 V HN 0.910 nan 8.190 nan 0.000 0.431 414 H N 5.161 124.308 119.070 0.129 0.000 2.539 414 H HA 0.470 5.026 4.556 0.000 0.000 0.247 414 H C -0.436 174.985 175.328 0.154 0.000 1.363 414 H CA -0.315 55.818 56.048 0.142 0.000 1.371 414 H CB 1.212 31.033 29.762 0.099 0.000 1.438 414 H HN 0.589 nan 8.280 nan 0.000 0.523 415 L N 4.077 125.446 121.223 0.244 0.000 2.439 415 L HA 0.187 4.527 4.340 0.000 0.000 0.269 415 L C -1.352 175.641 176.870 0.206 0.000 1.179 415 L CA -1.498 53.462 54.840 0.199 0.000 0.828 415 L CB 0.377 42.495 42.059 0.100 0.000 1.106 415 L HN 0.319 nan 8.230 nan 0.000 0.467 416 P HA 0.150 nan 4.420 nan 0.000 0.293 416 P C -0.151 177.267 177.300 0.197 0.000 1.304 416 P CA -0.463 62.758 63.100 0.201 0.000 0.767 416 P CB 0.913 32.741 31.700 0.214 0.000 1.247 417 D N -0.820 119.736 120.400 0.259 0.000 2.104 417 D HA 0.016 4.657 4.640 0.000 0.000 0.194 417 D C 0.530 176.977 176.300 0.245 0.000 0.994 417 D CA 1.569 55.797 54.000 0.379 0.000 0.830 417 D CB -0.260 40.840 40.800 0.499 0.000 0.959 417 D HN 0.527 nan 8.370 nan 0.000 0.452 418 A N -0.632 122.224 122.820 0.060 0.000 2.520 418 A HA 0.631 4.951 4.320 0.000 0.000 0.298 418 A C -1.231 176.161 177.584 -0.319 0.000 1.051 418 A CA -0.589 51.278 52.037 -0.285 0.000 0.690 418 A CB 1.270 19.923 19.000 -0.578 0.000 1.281 418 A HN 0.040 nan 8.150 nan 0.000 0.402 419 I N 2.847 123.153 120.570 -0.440 0.000 2.382 419 I HA 0.428 4.598 4.170 0.000 0.000 0.285 419 I C -0.973 174.939 176.117 -0.342 0.000 1.007 419 I CA -0.115 60.867 61.300 -0.529 0.000 1.142 419 I CB 1.141 38.725 38.000 -0.693 0.000 1.289 419 I HN 0.472 nan 8.210 nan 0.000 0.453 420 I N 5.943 126.339 120.570 -0.289 0.000 2.466 420 I HA 0.274 4.444 4.170 0.000 0.000 0.289 420 I C -0.680 175.290 176.117 -0.246 0.000 1.026 420 I CA -0.947 60.189 61.300 -0.274 0.000 1.078 420 I CB 1.954 39.699 38.000 -0.426 0.000 1.249 420 I HN 0.405 nan 8.210 nan 0.000 0.429 421 Y N 6.306 126.230 120.300 -0.626 0.000 2.411 421 Y HA 0.122 4.672 4.550 0.000 0.000 0.333 421 Y C 0.385 175.939 175.900 -0.577 0.000 1.186 421 Y CA 0.293 57.815 58.100 -0.963 0.000 1.381 421 Y CB 0.593 38.147 38.460 -1.509 0.000 1.273 421 Y HN 0.521 nan 8.280 nan 0.000 0.546 422 N N 3.443 121.558 118.700 -0.976 0.000 2.437 422 N HA 0.042 4.782 4.740 0.000 0.000 0.259 422 N C 0.317 175.510 175.510 -0.529 0.000 0.983 422 N CA 0.256 52.965 53.050 -0.569 0.000 0.937 422 N CB 1.308 39.527 38.487 -0.448 0.000 1.122 422 N HN 0.883 nan 8.380 nan 0.000 0.499 423 T N -0.207 114.261 114.554 -0.143 0.000 3.160 423 T HA 0.102 4.452 4.350 0.000 0.000 0.257 423 T C 1.390 176.156 174.700 0.111 0.000 1.147 423 T CA 0.527 62.725 62.100 0.165 0.000 1.064 423 T CB 0.232 69.268 68.868 0.281 0.000 0.949 423 T HN 0.440 nan 8.240 nan 0.000 0.526 424 G N 1.025 109.687 108.800 -0.230 0.000 2.662 424 G HA2 0.073 4.033 3.960 0.000 0.000 0.207 424 G HA3 0.073 4.033 3.960 0.000 0.000 0.207 424 G C 1.151 175.901 174.900 -0.251 0.000 1.154 424 G CA 0.037 44.877 45.100 -0.434 0.000 0.837 424 G HN 0.372 nan 8.290 nan 0.000 0.580 425 D N 0.536 120.787 120.400 -0.250 0.000 2.323 425 D HA 0.060 4.700 4.640 0.000 0.000 0.209 425 D C 0.570 176.750 176.300 -0.199 0.000 0.973 425 D CA 0.342 54.223 54.000 -0.199 0.000 0.874 425 D CB 0.153 40.834 40.800 -0.199 0.000 0.930 425 D HN 0.099 nan 8.370 nan 0.000 0.521 426 Q N -0.414 119.223 119.800 -0.272 0.000 2.464 426 Q HA -0.216 4.124 4.340 0.000 0.000 0.304 426 Q C -0.409 175.374 176.000 -0.362 0.000 1.401 426 Q CA 0.868 56.536 55.803 -0.225 0.000 0.806 426 Q CB -2.062 26.698 28.738 0.038 0.000 1.134 426 Q HN 0.573 nan 8.270 nan 0.000 0.411 427 K N -2.663 117.277 120.400 -0.767 0.000 2.579 427 K HA 0.629 4.949 4.320 0.000 0.000 0.284 427 K C -1.186 174.984 176.600 -0.717 0.000 0.990 427 K CA -1.026 54.960 56.287 -0.502 0.000 0.880 427 K CB 0.810 33.191 32.500 -0.198 0.000 1.488 427 K HN -0.025 nan 8.250 nan 0.000 0.425 428 W N 1.614 122.774 121.300 -0.233 0.000 2.287 428 W HA 0.266 4.926 4.660 0.000 0.000 0.313 428 W C -0.527 175.876 176.519 -0.193 0.000 1.267 428 W CA 0.227 57.464 57.345 -0.180 0.000 1.201 428 W CB 0.969 30.441 29.460 0.020 0.000 1.196 428 W HN 0.385 nan 8.180 nan 0.000 0.536 429 D N 2.519 122.865 120.400 -0.090 0.000 2.308 429 D HA 0.183 4.823 4.640 0.000 0.000 0.242 429 D C -1.253 174.774 176.300 -0.455 0.000 1.059 429 D CA -0.596 53.196 54.000 -0.347 0.000 0.830 429 D CB 1.070 41.452 40.800 -0.696 0.000 1.161 429 D HN 0.232 nan 8.370 nan 0.000 0.494 430 Y N 1.550 121.602 120.300 -0.413 0.000 2.385 430 Y HA 0.261 4.811 4.550 0.000 0.000 0.341 430 Y C -0.325 175.406 175.900 -0.281 0.000 0.965 430 Y CA -0.728 57.213 58.100 -0.264 0.000 1.180 430 Y CB 0.825 39.213 38.460 -0.120 0.000 1.139 430 Y HN 0.281 nan 8.280 nan 0.000 0.502 431 Y N 3.556 123.893 120.300 0.062 0.000 2.402 431 Y HA 0.282 4.832 4.550 0.000 0.000 0.332 431 Y C 1.391 177.390 175.900 0.164 0.000 0.960 431 Y CA -0.830 57.341 58.100 0.120 0.000 1.228 431 Y CB 1.174 39.712 38.460 0.129 0.000 1.120 431 Y HN 0.636 nan 8.280 nan 0.000 0.491 432 R N 1.256 121.947 120.500 0.319 0.000 2.094 432 R HA -0.099 4.241 4.340 0.000 0.000 0.239 432 R C -0.159 176.296 176.300 0.259 0.000 1.137 432 R CA 1.409 57.655 56.100 0.244 0.000 0.943 432 R CB 0.083 30.495 30.300 0.188 0.000 0.850 432 R HN 0.479 nan 8.270 nan 0.000 0.433 433 S N -1.354 114.508 115.700 0.270 0.000 2.500 433 S HA 0.424 4.894 4.470 0.000 0.000 0.301 433 S C -1.779 173.014 174.600 0.321 0.000 1.092 433 S CA -0.607 57.740 58.200 0.245 0.000 1.030 433 S CB 1.937 65.222 63.200 0.141 0.000 1.031 433 S HN 0.383 nan 8.310 nan 0.000 0.483 434 W N 4.283 125.658 121.300 0.124 0.000 3.479 434 W HA 0.512 5.172 4.660 0.000 0.000 0.304 434 W C -3.064 173.545 176.519 0.149 0.000 1.243 434 W CA -1.490 55.884 57.345 0.049 0.000 1.202 434 W CB 1.079 30.559 29.460 0.034 0.000 1.346 434 W HN 0.404 nan 8.180 nan 0.000 0.539 435 P HA 0.216 nan 4.420 nan 0.000 0.279 435 P C 0.310 177.275 177.300 -0.557 0.000 1.252 435 P CA -0.145 62.139 63.100 -1.359 0.000 0.811 435 P CB 1.565 32.421 31.700 -1.407 0.000 1.035 436 S N -0.419 115.005 115.700 -0.459 0.000 2.528 436 S HA 0.172 4.642 4.470 0.000 0.000 0.219 436 S C 0.568 175.048 174.600 -0.199 0.000 0.985 436 S CA 0.081 58.146 58.200 -0.226 0.000 0.914 436 S CB -0.753 62.360 63.200 -0.146 0.000 0.776 436 S HN 0.392 nan 8.310 nan 0.000 0.526 437 V N -0.547 119.211 119.914 -0.260 0.000 2.760 437 V HA 0.904 5.024 4.120 0.000 0.000 0.309 437 V C -0.316 175.650 176.094 -0.213 0.000 1.077 437 V CA -0.853 61.335 62.300 -0.187 0.000 0.910 437 V CB 0.482 32.220 31.823 -0.142 0.000 1.008 437 V HN 0.836 nan 8.190 nan 0.000 0.424 438 C N 1.502 120.713 119.300 -0.149 0.000 3.253 438 C HA 0.568 5.028 4.460 0.000 0.000 0.362 438 C C 1.030 175.976 174.990 -0.073 0.000 1.487 438 C CA -0.051 58.888 59.018 -0.132 0.000 1.179 438 C CB 1.222 28.866 27.740 -0.159 0.000 1.660 438 C HN 0.961 nan 8.230 nan 0.000 0.438 439 E N 1.125 121.299 120.200 -0.043 0.000 2.204 439 E HA 0.037 4.387 4.350 0.000 0.000 0.194 439 E C 0.745 177.340 176.600 -0.009 0.000 0.989 439 E CA 1.782 58.180 56.400 -0.004 0.000 0.824 439 E CB 0.090 29.817 29.700 0.044 0.000 0.756 439 E HN 0.857 nan 8.360 nan 0.000 0.477 440 S N -1.223 114.463 115.700 -0.024 0.000 2.547 440 S HA 0.242 4.712 4.470 0.000 0.000 0.270 440 S C -0.400 174.178 174.600 -0.037 0.000 1.150 440 S CA -0.836 57.350 58.200 -0.022 0.000 0.850 440 S CB 1.217 64.412 63.200 -0.009 0.000 1.118 440 S HN 0.259 nan 8.310 nan 0.000 0.461 441 N N -0.461 118.219 118.700 -0.033 0.000 2.727 441 N HA -0.169 4.571 4.740 0.000 0.000 0.249 441 N C -0.580 174.898 175.510 -0.053 0.000 1.048 441 N CA 0.812 53.839 53.050 -0.038 0.000 0.714 441 N CB -1.552 36.914 38.487 -0.036 0.000 0.959 441 N HN 0.666 nan 8.380 nan 0.000 0.544 442 C N -1.648 117.618 119.300 -0.057 0.000 2.913 442 C HA 0.335 4.795 4.460 0.000 0.000 0.322 442 C C 2.235 177.192 174.990 -0.054 0.000 1.292 442 C CA -0.453 58.522 59.018 -0.071 0.000 1.649 442 C CB 1.694 29.372 27.740 -0.104 0.000 2.139 442 C HN 0.425 nan 8.230 nan 0.000 0.475 443 T N 0.664 115.184 114.554 -0.057 0.000 2.833 443 T HA 0.125 4.475 4.350 0.000 0.000 0.269 443 T C 0.674 175.349 174.700 -0.042 0.000 1.054 443 T CA 1.646 63.721 62.100 -0.041 0.000 1.135 443 T CB -0.166 68.680 68.868 -0.036 0.000 0.869 443 T HN 0.934 nan 8.240 nan 0.000 0.466 444 G N -0.966 107.800 108.800 -0.057 0.000 2.725 444 G HA2 0.614 4.574 3.960 0.000 0.000 0.288 444 G HA3 0.614 4.574 3.960 0.000 0.000 0.288 444 G C -0.682 174.184 174.900 -0.057 0.000 1.399 444 G CA -0.339 44.730 45.100 -0.051 0.000 0.859 444 G HN 0.332 nan 8.290 nan 0.000 0.479 445 G N -1.234 107.540 108.800 -0.043 0.000 2.552 445 G HA2 0.563 4.523 3.960 0.000 0.000 0.324 445 G HA3 0.563 4.523 3.960 0.000 0.000 0.324 445 G C -0.783 174.093 174.900 -0.040 0.000 1.217 445 G CA -0.655 44.422 45.100 -0.038 0.000 0.989 445 G HN 0.468 nan 8.290 nan 0.000 0.490 446 L N -0.015 121.188 121.223 -0.033 0.000 2.452 446 L HA 0.384 4.724 4.340 0.000 0.000 0.267 446 L C 0.911 177.773 176.870 -0.012 0.000 1.188 446 L CA 0.135 54.957 54.840 -0.030 0.000 0.821 446 L CB 1.180 43.219 42.059 -0.033 0.000 1.102 446 L HN 0.363 nan 8.230 nan 0.000 0.470 447 T N 3.448 118.002 114.554 0.001 0.000 2.809 447 T HA 0.412 4.762 4.350 0.000 0.000 0.296 447 T C -2.496 172.228 174.700 0.040 0.000 1.015 447 T CA -1.220 60.901 62.100 0.035 0.000 0.954 447 T CB 1.371 70.258 68.868 0.031 0.000 0.950 447 T HN 0.296 nan 8.240 nan 0.000 0.450 448 P HA 0.239 nan 4.420 nan 0.000 0.271 448 P C -0.764 176.309 177.300 -0.377 0.000 1.220 448 P CA -0.725 62.174 63.100 -0.335 0.000 0.768 448 P CB 0.493 31.783 31.700 -0.683 0.000 0.848 449 L N 5.799 126.758 121.223 -0.441 0.000 2.297 449 L HA 0.378 4.718 4.340 0.000 0.000 0.277 449 L C -1.127 175.463 176.870 -0.467 0.000 1.040 449 L CA -0.876 53.632 54.840 -0.553 0.000 0.867 449 L CB -0.724 41.006 42.059 -0.549 0.000 1.244 449 L HN 0.191 nan 8.230 nan 0.000 0.433 450 Y N 3.894 124.039 120.300 -0.260 0.000 2.346 450 Y HA 0.304 4.854 4.550 0.000 0.000 0.330 450 Y C 0.294 176.034 175.900 -0.267 0.000 1.178 450 Y CA -0.279 57.679 58.100 -0.237 0.000 1.331 450 Y CB 0.550 38.875 38.460 -0.225 0.000 1.253 450 Y HN 0.355 nan 8.280 nan 0.000 0.529 451 L N 2.691 123.834 121.223 -0.133 0.000 2.439 451 L HA 0.498 4.838 4.340 0.000 0.000 0.269 451 L C 0.335 177.060 176.870 -0.241 0.000 1.179 451 L CA 0.108 54.741 54.840 -0.345 0.000 0.828 451 L CB 0.178 41.842 42.059 -0.659 0.000 1.106 451 L HN 0.831 nan 8.230 nan 0.000 0.467 452 A N 1.863 124.510 122.820 -0.288 0.000 2.564 452 A HA 0.482 4.802 4.320 0.000 0.000 0.288 452 A C -0.797 176.494 177.584 -0.489 0.000 1.164 452 A CA -0.745 51.094 52.037 -0.330 0.000 0.712 452 A CB 0.731 19.654 19.000 -0.129 0.000 1.303 452 A HN 0.613 nan 8.150 nan 0.000 0.418 453 D N -0.326 119.868 120.400 -0.343 0.000 2.419 453 D HA 0.354 4.994 4.640 0.000 0.000 0.236 453 D C 1.249 177.483 176.300 -0.111 0.000 1.165 453 D CA 2.133 56.016 54.000 -0.196 0.000 0.882 453 D CB 0.599 41.388 40.800 -0.019 0.000 1.201 453 D HN 1.461 nan 8.370 nan 0.000 0.443 454 G N 2.125 110.884 108.800 -0.068 0.000 2.176 454 G HA2 -0.329 3.631 3.960 0.000 0.000 0.252 454 G HA3 -0.329 3.631 3.960 0.000 0.000 0.252 454 G C 0.335 175.277 174.900 0.071 0.000 1.024 454 G CA 0.804 45.919 45.100 0.025 0.000 0.755 454 G HN 0.844 nan 8.290 nan 0.000 0.507 455 H N -2.260 116.740 119.070 -0.116 0.000 2.770 455 H HA -0.085 4.471 4.556 0.000 0.000 0.309 455 H C 1.451 176.764 175.328 -0.025 0.000 1.206 455 H CA 2.025 57.938 56.048 -0.225 0.000 1.147 455 H CB -1.316 28.230 29.762 -0.359 0.000 1.422 455 H HN 1.362 nan 8.280 nan 0.000 0.420 456 G N -0.553 108.310 108.800 0.106 0.000 2.552 456 G HA2 0.688 4.648 3.960 0.000 0.000 0.324 456 G HA3 0.688 4.648 3.960 0.000 0.000 0.324 456 G C -0.665 174.269 174.900 0.057 0.000 1.217 456 G CA -0.924 44.216 45.100 0.066 0.000 0.989 456 G HN 0.161 nan 8.290 nan 0.000 0.490 457 L N 0.248 121.459 121.223 -0.020 0.000 2.408 457 L HA 0.682 5.022 4.340 0.000 0.000 0.268 457 L C -0.253 176.527 176.870 -0.151 0.000 0.986 457 L CA -0.729 54.044 54.840 -0.112 0.000 0.820 457 L CB 2.403 44.368 42.059 -0.157 0.000 1.303 457 L HN 0.599 nan 8.230 nan 0.000 0.411 458 S N 0.872 116.469 115.700 -0.171 0.000 2.533 458 S HA 0.480 4.950 4.470 0.000 0.000 0.271 458 S C -0.010 174.540 174.600 -0.083 0.000 1.143 458 S CA -0.511 57.619 58.200 -0.117 0.000 0.891 458 S CB 0.964 64.163 63.200 -0.001 0.000 1.105 458 S HN 0.462 nan 8.310 nan 0.000 0.468 459 F N 1.971 121.970 119.950 0.082 0.000 2.802 459 F HA 0.137 4.664 4.527 0.000 0.000 0.300 459 F C 1.455 177.383 175.800 0.212 0.000 1.168 459 F CA 0.377 58.443 58.000 0.110 0.000 1.433 459 F CB 0.294 39.321 39.000 0.046 0.000 1.115 459 F HN 0.386 nan 8.300 nan 0.000 0.582 460 T N -0.996 113.740 114.554 0.304 0.000 2.767 460 T HA 0.072 4.422 4.350 0.000 0.000 0.288 460 T C -0.545 174.201 174.700 0.076 0.000 0.963 460 T CA -0.426 61.795 62.100 0.202 0.000 1.019 460 T CB 0.361 69.296 68.868 0.112 0.000 0.923 460 T HN 0.119 nan 8.240 nan 0.000 0.468 461 H N 4.764 123.706 119.070 -0.213 0.000 3.091 461 H HA 0.203 4.759 4.556 0.000 0.000 0.289 461 H C -2.164 172.916 175.328 -0.414 0.000 0.995 461 H CA -1.460 54.108 56.048 -0.800 0.000 1.461 461 H CB 0.368 29.765 29.762 -0.609 0.000 1.510 461 H HN 0.271 nan 8.280 nan 0.000 0.546 462 P HA 0.063 nan 4.420 nan 0.000 0.276 462 P C -0.076 177.266 177.300 0.071 0.000 1.253 462 P CA -0.071 62.999 63.100 -0.049 0.000 0.766 462 P CB 1.347 33.012 31.700 -0.059 0.000 0.845 463 A N 3.919 126.752 122.820 0.023 0.000 1.902 463 A HA 0.111 4.431 4.320 0.000 0.000 0.217 463 A C 1.220 178.800 177.584 -0.007 0.000 1.181 463 A CA 1.396 53.426 52.037 -0.013 0.000 0.623 463 A CB -1.017 17.958 19.000 -0.041 0.000 0.818 463 A HN 0.604 nan 8.150 nan 0.000 0.443 464 A N 0.417 123.235 122.820 -0.004 0.000 2.354 464 A HA 0.472 4.792 4.320 0.000 0.000 0.269 464 A C -0.702 176.867 177.584 -0.025 0.000 1.109 464 A CA -0.460 51.570 52.037 -0.012 0.000 0.800 464 A CB -0.047 18.948 19.000 -0.010 0.000 1.045 464 A HN 0.453 nan 8.150 nan 0.000 0.489 465 D N -0.009 120.368 120.400 -0.039 0.000 2.339 465 D HA 0.540 5.180 4.640 0.000 0.000 0.245 465 D C 0.545 176.664 176.300 -0.301 0.000 1.115 465 D CA 1.382 55.327 54.000 -0.091 0.000 0.917 465 D CB 1.147 41.993 40.800 0.076 0.000 1.192 465 D HN 0.832 nan 8.370 nan 0.000 0.428 466 G N -0.974 107.359 108.800 -0.778 0.000 2.559 466 G HA2 0.697 4.657 3.960 0.000 0.000 0.291 466 G HA3 0.697 4.657 3.960 0.000 0.000 0.291 466 G C -1.956 172.193 174.900 -1.252 0.000 1.424 466 G CA -0.444 44.130 45.100 -0.877 0.000 0.786 466 G HN 0.638 nan 8.290 nan 0.000 0.485 467 A N 0.164 122.597 122.820 -0.644 0.000 2.566 467 A HA 0.743 5.063 4.320 0.000 0.000 0.297 467 A C -1.970 175.622 177.584 0.013 0.000 1.059 467 A CA -0.671 51.191 52.037 -0.291 0.000 0.691 467 A CB 1.897 20.809 19.000 -0.146 0.000 1.282 467 A HN 0.499 nan 8.150 nan 0.000 0.401 468 D N 1.049 121.540 120.400 0.152 0.000 2.350 468 D HA 0.685 5.325 4.640 0.000 0.000 0.245 468 D C -0.514 175.920 176.300 0.223 0.000 1.036 468 D CA -0.009 54.100 54.000 0.181 0.000 0.848 468 D CB 2.188 43.092 40.800 0.174 0.000 1.307 468 D HN 0.398 nan 8.370 nan 0.000 0.469 469 S N 0.706 116.529 115.700 0.206 0.000 2.568 469 S HA 0.726 5.196 4.470 0.000 0.000 0.302 469 S C -0.881 173.888 174.600 0.281 0.000 1.082 469 S CA -0.853 57.460 58.200 0.189 0.000 1.009 469 S CB 1.375 64.639 63.200 0.107 0.000 1.069 469 S HN 0.496 nan 8.310 nan 0.000 0.500 470 Y N -1.841 118.541 120.300 0.136 0.000 2.571 470 Y HA 0.773 5.323 4.550 0.000 0.000 0.341 470 Y C -1.445 174.515 175.900 0.101 0.000 1.076 470 Y CA -1.417 56.751 58.100 0.112 0.000 1.029 470 Y CB 0.433 38.964 38.460 0.119 0.000 1.308 470 Y HN 0.328 nan 8.280 nan 0.000 0.461 471 V N 2.706 122.723 119.914 0.172 0.000 2.407 471 V HA 0.421 4.541 4.120 0.000 0.000 0.278 471 V C -0.129 176.055 176.094 0.150 0.000 1.037 471 V CA -0.371 61.979 62.300 0.083 0.000 0.900 471 V CB 1.334 33.206 31.823 0.083 0.000 0.983 471 V HN 0.823 nan 8.190 nan 0.000 0.459 472 S N 3.469 119.211 115.700 0.070 0.000 2.448 472 S HA 0.329 4.799 4.470 0.000 0.000 0.320 472 S C -0.740 173.909 174.600 0.081 0.000 1.071 472 S CA -0.649 57.615 58.200 0.107 0.000 1.113 472 S CB 0.481 63.706 63.200 0.041 0.000 0.972 472 S HN 0.828 nan 8.310 nan 0.000 0.465 473 D N 5.420 125.887 120.400 0.112 0.000 2.414 473 D HA 0.456 5.096 4.640 0.000 0.000 0.232 473 D C -1.829 174.518 176.300 0.078 0.000 1.070 473 D CA -2.281 51.786 54.000 0.112 0.000 0.839 473 D CB 1.879 42.785 40.800 0.177 0.000 1.079 473 D HN 0.214 nan 8.370 nan 0.000 0.521 474 P HA -0.030 nan 4.420 nan 0.000 0.223 474 P C 0.725 177.920 177.300 -0.176 0.000 1.144 474 P CA 0.662 63.747 63.100 -0.026 0.000 0.783 474 P CB 0.296 32.062 31.700 0.109 0.000 0.771 475 A N -1.524 121.200 122.820 -0.161 0.000 2.123 475 A HA -0.060 4.260 4.320 0.000 0.000 0.214 475 A C 0.483 177.743 177.584 -0.540 0.000 1.152 475 A CA 0.916 52.748 52.037 -0.343 0.000 0.728 475 A CB -0.948 17.868 19.000 -0.307 0.000 0.814 475 A HN 0.268 nan 8.150 nan 0.000 0.464 476 H N -0.314 118.746 119.070 -0.017 0.000 2.439 476 H HA 0.266 4.822 4.556 0.000 0.000 0.230 476 H C -2.788 172.590 175.328 0.082 0.000 1.420 476 H CA -1.637 54.452 56.048 0.067 0.000 1.305 476 H CB 0.581 30.389 29.762 0.077 0.000 1.667 476 H HN 0.289 nan 8.280 nan 0.000 0.515 477 P HA 0.011 nan 4.420 nan 0.000 0.274 477 P C 0.171 177.658 177.300 0.312 0.000 1.231 477 P CA -0.339 62.814 63.100 0.089 0.000 0.790 477 P CB 1.669 33.238 31.700 -0.218 0.000 0.951 478 V N 4.072 124.166 119.914 0.300 0.000 2.479 478 V HA 0.088 4.208 4.120 0.000 0.000 0.281 478 V C -1.901 174.465 176.094 0.454 0.000 1.031 478 V CA -1.243 61.251 62.300 0.324 0.000 1.038 478 V CB -0.150 31.828 31.823 0.257 0.000 0.981 478 V HN 0.555 nan 8.190 nan 0.000 0.478 479 P HA 0.065 nan 4.420 nan 0.000 0.268 479 P C 0.481 177.951 177.300 0.283 0.000 1.204 479 P CA -0.194 63.117 63.100 0.352 0.000 0.768 479 P CB 0.321 32.066 31.700 0.074 0.000 0.842 480 F N 4.816 124.775 119.950 0.015 0.000 2.325 480 F HA 0.100 4.627 4.527 0.000 0.000 0.299 480 F C 0.601 176.266 175.800 -0.225 0.000 1.090 480 F CA 0.359 58.221 58.000 -0.230 0.000 1.392 480 F CB -0.606 37.842 39.000 -0.920 0.000 1.053 480 F HN 0.154 nan 8.300 nan 0.000 0.521 481 I N -2.920 117.057 120.570 -0.989 0.000 3.006 481 I HA 0.501 4.671 4.170 0.000 0.000 0.306 481 I C -0.315 175.533 176.117 -0.448 0.000 1.250 481 I CA -1.395 59.463 61.300 -0.737 0.000 0.996 481 I CB 1.779 39.181 38.000 -0.998 0.000 1.261 481 I HN -0.266 nan 8.210 nan 0.000 0.442 482 S N 2.570 118.112 115.700 -0.264 0.000 2.558 482 S HA 0.128 4.598 4.470 0.000 0.000 0.293 482 S C 0.232 174.748 174.600 -0.141 0.000 1.292 482 S CA -0.288 57.813 58.200 -0.165 0.000 1.063 482 S CB -0.052 63.079 63.200 -0.116 0.000 0.831 482 S HN 0.479 nan 8.310 nan 0.000 0.499 483 R N 2.846 123.266 120.500 -0.132 0.000 2.641 483 R HA 0.312 4.652 4.340 0.000 0.000 0.269 483 R C -2.011 174.255 176.300 -0.056 0.000 1.074 483 R CA -1.195 54.845 56.100 -0.100 0.000 1.133 483 R CB -0.193 29.994 30.300 -0.188 0.000 1.029 483 R HN 0.448 nan 8.270 nan 0.000 0.488 484 P HA 0.229 nan 4.420 nan 0.000 0.286 484 P C -1.385 175.954 177.300 0.064 0.000 1.261 484 P CA -0.315 62.791 63.100 0.010 0.000 0.821 484 P CB 0.795 32.496 31.700 0.001 0.000 1.013 485 F N 1.197 121.086 119.950 -0.102 0.000 2.569 485 F HA 0.663 5.190 4.527 0.000 0.000 0.312 485 F C -1.635 174.062 175.800 -0.171 0.000 1.109 485 F CA -0.678 57.231 58.000 -0.152 0.000 0.919 485 F CB 1.937 40.794 39.000 -0.239 0.000 1.211 485 F HN 0.537 nan 8.300 nan 0.000 0.446 486 A N 5.212 127.325 122.820 -1.178 0.000 2.386 486 A HA 0.533 4.853 4.320 0.000 0.000 0.311 486 A C -0.276 176.451 177.584 -1.428 0.000 1.068 486 A CA -0.634 50.810 52.037 -0.988 0.000 0.743 486 A CB 0.462 19.216 19.000 -0.409 0.000 1.258 486 A HN 0.873 nan 8.150 nan 0.000 0.429 487 F N 1.595 121.052 119.950 -0.821 0.000 2.250 487 F HA -0.201 4.326 4.527 0.000 0.000 0.301 487 F C 2.575 178.138 175.800 -0.395 0.000 1.077 487 F CA 1.910 59.557 58.000 -0.588 0.000 1.348 487 F CB -0.004 38.747 39.000 -0.415 0.000 1.040 487 F HN 0.659 nan 8.300 nan 0.000 0.509 488 A N -0.583 122.142 122.820 -0.159 0.000 2.015 488 A HA -0.156 4.165 4.320 0.000 0.000 0.219 488 A C 1.326 178.868 177.584 -0.071 0.000 1.163 488 A CA 0.577 52.562 52.037 -0.087 0.000 0.646 488 A CB -0.647 18.311 19.000 -0.069 0.000 0.806 488 A HN 0.378 nan 8.150 nan 0.000 0.448 489 Q N 0.968 120.686 119.800 -0.138 0.000 2.613 489 Q HA 0.172 4.512 4.340 0.000 0.000 0.228 489 Q C 0.799 176.896 176.000 0.161 0.000 1.318 489 Q CA -0.179 55.615 55.803 -0.014 0.000 0.907 489 Q CB 0.074 28.783 28.738 -0.047 0.000 1.593 489 Q HN 0.557 nan 8.270 nan 0.000 0.559 490 S N 0.418 116.207 115.700 0.150 0.000 2.383 490 S HA -0.210 4.261 4.470 0.000 0.000 0.229 490 S C 2.038 176.780 174.600 0.236 0.000 1.030 490 S CA 1.564 59.906 58.200 0.237 0.000 1.002 490 S CB -0.065 63.221 63.200 0.144 0.000 0.829 490 S HN 0.768 nan 8.310 nan 0.000 0.467 491 S N 1.843 117.632 115.700 0.148 0.000 2.419 491 S HA -0.043 4.427 4.470 0.000 0.000 0.233 491 S C 1.686 176.367 174.600 0.135 0.000 1.016 491 S CA 0.676 58.941 58.200 0.108 0.000 0.974 491 S CB -0.271 62.966 63.200 0.063 0.000 0.786 491 S HN 0.463 nan 8.310 nan 0.000 0.492 492 R N -0.942 119.683 120.500 0.208 0.000 2.237 492 R HA 0.167 4.507 4.340 0.000 0.000 0.195 492 R C 2.027 178.506 176.300 0.298 0.000 0.956 492 R CA 0.513 56.741 56.100 0.213 0.000 1.029 492 R CB -0.211 30.239 30.300 0.249 0.000 0.972 492 R HN 0.684 nan 8.270 nan 0.000 0.493 493 W N 2.659 124.109 121.300 0.249 0.000 2.441 493 W HA -0.088 4.572 4.660 0.000 0.000 0.302 493 W C 1.032 177.728 176.519 0.296 0.000 1.191 493 W CA 1.020 58.541 57.345 0.293 0.000 1.327 493 W CB 0.059 29.731 29.460 0.355 0.000 1.128 493 W HN -0.097 nan 8.180 nan 0.000 0.522 494 K N 0.214 120.679 120.400 0.108 0.000 2.020 494 K HA -0.186 4.134 4.320 0.000 0.000 0.212 494 K C -1.033 175.498 176.600 -0.116 0.000 1.050 494 K CA 2.038 58.295 56.287 -0.050 0.000 0.929 494 K CB -1.527 31.011 32.500 0.064 0.000 0.714 494 K HN 0.142 nan 8.250 nan 0.000 0.443 495 P HA -0.035 nan 4.420 nan 0.000 0.254 495 P C 0.292 177.506 177.300 -0.142 0.000 1.620 495 P CA -0.119 62.909 63.100 -0.120 0.000 1.050 495 P CB -0.551 31.102 31.700 -0.080 0.000 1.539 496 W N 0.197 121.334 121.300 -0.271 0.000 2.374 496 W HA -0.081 4.579 4.660 0.000 0.000 0.288 496 W C 0.488 176.884 176.519 -0.205 0.000 1.218 496 W CA 0.187 57.366 57.345 -0.276 0.000 1.245 496 W CB -1.355 27.901 29.460 -0.339 0.000 1.126 496 W HN -0.143 nan 8.180 nan 0.000 0.545 497 L N 2.023 122.671 121.223 -0.958 0.000 2.465 497 L HA -0.126 4.214 4.340 0.000 0.000 0.224 497 L C 2.172 178.769 176.870 -0.456 0.000 1.145 497 L CA 0.939 55.240 54.840 -0.899 0.000 0.834 497 L CB -0.440 41.203 42.059 -0.693 0.000 0.944 497 L HN -0.008 nan 8.230 nan 0.000 0.451 498 V N -4.775 114.853 119.914 -0.476 0.000 3.483 498 V HA 0.189 4.309 4.120 0.000 0.000 0.301 498 V C 0.803 176.836 176.094 -0.101 0.000 1.389 498 V CA -0.450 61.581 62.300 -0.449 0.000 1.101 498 V CB -0.257 31.123 31.823 -0.738 0.000 0.971 498 V HN 0.129 nan 8.190 nan 0.000 0.434 499 Q N 1.804 121.570 119.800 -0.057 0.000 2.373 499 Q HA 0.239 4.579 4.340 0.000 0.000 0.255 499 Q C -0.243 175.708 176.000 -0.082 0.000 0.980 499 Q CA 0.107 55.911 55.803 0.001 0.000 0.882 499 Q CB 1.009 29.740 28.738 -0.012 0.000 1.249 499 Q HN 0.535 nan 8.270 nan 0.000 0.438 500 D N 1.604 121.794 120.400 -0.350 0.000 2.493 500 D HA -0.077 4.563 4.640 0.000 0.000 0.240 500 D C 0.209 176.342 176.300 -0.279 0.000 1.142 500 D CA 0.322 53.896 54.000 -0.710 0.000 0.872 500 D CB 0.750 40.981 40.800 -0.949 0.000 1.173 500 D HN 0.200 nan 8.370 nan 0.000 0.467 501 Q N 3.387 123.077 119.800 -0.183 0.000 2.246 501 Q HA 0.096 4.436 4.340 0.000 0.000 0.202 501 Q C 1.445 177.409 176.000 -0.059 0.000 0.883 501 Q CA -0.040 55.734 55.803 -0.047 0.000 0.952 501 Q CB 0.232 28.992 28.738 0.037 0.000 1.078 501 Q HN 0.509 nan 8.270 nan 0.000 0.493 502 R N 0.767 121.197 120.500 -0.116 0.000 2.120 502 R HA -0.151 4.189 4.340 0.000 0.000 0.234 502 R C 1.997 178.259 176.300 -0.063 0.000 1.123 502 R CA 1.230 57.277 56.100 -0.089 0.000 0.975 502 R CB 0.109 30.345 30.300 -0.107 0.000 0.866 502 R HN 0.378 nan 8.270 nan 0.000 0.446 503 E N 0.544 120.707 120.200 -0.061 0.000 2.058 503 E HA -0.218 4.132 4.350 0.000 0.000 0.194 503 E C 1.873 178.461 176.600 -0.019 0.000 0.997 503 E CA 1.345 57.721 56.400 -0.042 0.000 0.801 503 E CB -0.047 29.627 29.700 -0.043 0.000 0.746 503 E HN 0.365 nan 8.360 nan 0.000 0.450 504 A N 1.200 124.022 122.820 0.003 0.000 1.933 504 A HA -0.239 4.081 4.320 0.000 0.000 0.218 504 A C 2.064 179.641 177.584 -0.012 0.000 1.175 504 A CA 1.681 53.732 52.037 0.023 0.000 0.628 504 A CB -0.615 18.426 19.000 0.068 0.000 0.814 504 A HN 0.477 nan 8.150 nan 0.000 0.444 505 E N 0.504 120.688 120.200 -0.026 0.000 2.153 505 E HA -0.172 4.178 4.350 0.000 0.000 0.194 505 E C 1.899 178.463 176.600 -0.060 0.000 0.988 505 E CA 1.420 57.791 56.400 -0.049 0.000 0.811 505 E CB -0.106 29.564 29.700 -0.050 0.000 0.746 505 E HN 0.732 nan 8.360 nan 0.000 0.466 506 S N -0.196 115.475 115.700 -0.049 0.000 2.607 506 S HA 0.047 4.517 4.470 0.000 0.000 0.224 506 S C 0.716 175.292 174.600 -0.040 0.000 0.969 506 S CA -0.224 57.947 58.200 -0.048 0.000 0.927 506 S CB -0.064 63.111 63.200 -0.042 0.000 0.772 506 S HN 0.090 nan 8.310 nan 0.000 0.533 507 R N 1.802 122.283 120.500 -0.032 0.000 2.457 507 R HA 0.360 4.700 4.340 0.000 0.000 0.284 507 R C -1.916 174.372 176.300 -0.020 0.000 1.024 507 R CA -2.093 53.997 56.100 -0.017 0.000 1.025 507 R CB 0.413 30.716 30.300 0.004 0.000 1.063 507 R HN 0.103 nan 8.270 nan 0.000 0.493 508 P HA -0.047 nan 4.420 nan 0.000 0.245 508 P C -0.389 176.960 177.300 0.082 0.000 1.212 508 P CA 0.755 63.872 63.100 0.028 0.000 0.774 508 P CB 0.237 31.957 31.700 0.034 0.000 0.999 509 D N -0.633 119.809 120.400 0.071 0.000 2.427 509 D HA 0.127 4.767 4.640 0.000 0.000 0.224 509 D C -0.092 176.145 176.300 -0.106 0.000 1.157 509 D CA -0.774 53.313 54.000 0.145 0.000 0.828 509 D CB -0.215 40.693 40.800 0.180 0.000 0.974 509 D HN -0.064 nan 8.370 nan 0.000 0.498 510 V N 0.535 120.315 119.914 -0.224 0.000 2.733 510 V HA 0.373 4.493 4.120 0.000 0.000 0.306 510 V C -0.270 175.649 176.094 -0.291 0.000 1.084 510 V CA -1.209 60.885 62.300 -0.344 0.000 0.905 510 V CB 2.271 34.009 31.823 -0.143 0.000 1.010 510 V HN 0.164 nan 8.190 nan 0.000 0.424 511 V N 1.315 121.035 119.914 -0.323 0.000 2.435 511 V HA 0.857 4.977 4.120 0.000 0.000 0.290 511 V C -0.111 175.960 176.094 -0.039 0.000 1.030 511 V CA -0.185 62.057 62.300 -0.097 0.000 0.881 511 V CB 1.449 33.332 31.823 0.100 0.000 0.983 511 V HN 0.833 nan 8.190 nan 0.000 0.445 512 T N 4.813 119.291 114.554 -0.128 0.000 2.824 512 T HA 0.720 5.070 4.350 0.000 0.000 0.282 512 T C -1.258 173.324 174.700 -0.198 0.000 0.993 512 T CA -0.145 61.913 62.100 -0.070 0.000 0.967 512 T CB 1.155 69.975 68.868 -0.080 0.000 0.960 512 T HN 0.649 nan 8.240 nan 0.000 0.441 513 Y N 1.514 121.845 120.300 0.051 0.000 2.499 513 Y HA 0.597 5.147 4.550 0.000 0.000 0.347 513 Y C 0.360 176.253 175.900 -0.011 0.000 0.987 513 Y CA -1.114 57.004 58.100 0.030 0.000 1.044 513 Y CB 1.848 40.293 38.460 -0.024 0.000 1.245 513 Y HN 0.705 nan 8.280 nan 0.000 0.461 514 E N -0.714 119.556 120.200 0.117 0.000 2.372 514 E HA 0.498 4.848 4.350 0.000 0.000 0.279 514 E C -1.216 175.390 176.600 0.009 0.000 0.946 514 E CA -1.190 55.234 56.400 0.041 0.000 0.769 514 E CB 1.804 31.520 29.700 0.027 0.000 1.230 514 E HN 0.536 nan 8.360 nan 0.000 0.442 515 T N -0.217 114.319 114.554 -0.030 0.000 2.754 515 T HA 0.213 4.563 4.350 0.000 0.000 0.286 515 T C 0.452 175.152 174.700 0.001 0.000 0.997 515 T CA -0.768 61.310 62.100 -0.038 0.000 0.982 515 T CB 0.747 69.575 68.868 -0.068 0.000 1.027 515 T HN 0.455 nan 8.240 nan 0.000 0.529 516 E N 0.092 120.299 120.200 0.012 0.000 2.397 516 E HA 0.205 4.555 4.350 0.000 0.000 0.254 516 E C 0.215 176.840 176.600 0.041 0.000 1.231 516 E CA -0.439 55.977 56.400 0.026 0.000 0.954 516 E CB 0.932 30.650 29.700 0.031 0.000 1.024 516 E HN 0.623 nan 8.360 nan 0.000 0.481 517 V N 1.882 121.824 119.914 0.047 0.000 2.585 517 V HA 0.048 4.168 4.120 0.000 0.000 0.296 517 V C 0.110 176.249 176.094 0.076 0.000 1.035 517 V CA -0.203 62.136 62.300 0.065 0.000 1.084 517 V CB -0.251 31.606 31.823 0.057 0.000 0.953 517 V HN 0.391 nan 8.190 nan 0.000 0.483 518 L N 6.034 127.318 121.223 0.102 0.000 2.410 518 L HA 0.293 4.633 4.340 0.000 0.000 0.273 518 L C 0.900 177.824 176.870 0.089 0.000 1.152 518 L CA -0.149 54.753 54.840 0.103 0.000 0.855 518 L CB 0.434 42.572 42.059 0.132 0.000 1.129 518 L HN 0.698 nan 8.230 nan 0.000 0.463 519 D N 0.663 121.106 120.400 0.073 0.000 2.327 519 D HA 0.059 4.699 4.640 0.000 0.000 0.205 519 D C 0.254 176.584 176.300 0.050 0.000 0.989 519 D CA 0.849 54.883 54.000 0.057 0.000 0.873 519 D CB 0.624 41.452 40.800 0.047 0.000 0.955 519 D HN 0.428 nan 8.370 nan 0.000 0.515 520 E N 0.676 120.909 120.200 0.055 0.000 2.314 520 E HA 0.318 4.668 4.350 0.000 0.000 0.272 520 E C -2.517 174.115 176.600 0.054 0.000 0.884 520 E CA -1.889 54.536 56.400 0.041 0.000 0.753 520 E CB 2.723 32.439 29.700 0.027 0.000 1.213 520 E HN -0.071 nan 8.360 nan 0.000 0.432 521 P HA 0.136 nan 4.420 nan 0.000 0.274 521 P C -0.341 176.999 177.300 0.066 0.000 1.231 521 P CA -0.443 62.685 63.100 0.048 0.000 0.790 521 P CB 0.776 32.475 31.700 -0.002 0.000 0.951 522 V N 1.008 121.004 119.914 0.137 0.000 2.487 522 V HA 0.568 4.688 4.120 0.000 0.000 0.298 522 V C -0.434 175.773 176.094 0.188 0.000 1.028 522 V CA -0.941 61.449 62.300 0.150 0.000 0.860 522 V CB 1.655 33.596 31.823 0.197 0.000 0.991 522 V HN 0.370 nan 8.190 nan 0.000 0.427 523 R N 4.046 124.603 120.500 0.095 0.000 2.368 523 R HA 0.802 5.142 4.340 0.000 0.000 0.302 523 R C -0.727 175.632 176.300 0.099 0.000 1.002 523 R CA -0.572 55.563 56.100 0.058 0.000 0.929 523 R CB 2.016 32.329 30.300 0.021 0.000 1.073 523 R HN 0.935 nan 8.270 nan 0.000 0.464 524 V N -1.282 118.695 119.914 0.105 0.000 2.656 524 V HA 0.746 4.866 4.120 0.000 0.000 0.307 524 V C -0.514 175.631 176.094 0.085 0.000 1.051 524 V CA -0.668 61.704 62.300 0.119 0.000 0.893 524 V CB 2.054 34.008 31.823 0.219 0.000 0.999 524 V HN 0.708 nan 8.190 nan 0.000 0.426 525 S N 2.336 118.072 115.700 0.060 0.000 2.614 525 S HA 0.833 5.303 4.470 0.000 0.000 0.259 525 S C -0.198 174.391 174.600 -0.018 0.000 1.118 525 S CA 0.657 58.920 58.200 0.105 0.000 1.065 525 S CB 0.436 63.706 63.200 0.118 0.000 1.121 525 S HN 2.530 nan 8.310 nan 0.000 0.458 526 G N 1.453 110.267 108.800 0.024 0.000 2.339 526 G HA2 0.297 4.258 3.960 0.000 0.000 0.275 526 G HA3 0.297 4.258 3.960 0.000 0.000 0.275 526 G C -1.053 173.782 174.900 -0.107 0.000 1.323 526 G CA -0.008 44.929 45.100 -0.271 0.000 0.927 526 G HN 1.749 nan 8.290 nan 0.000 0.486 527 V N -0.181 119.630 119.914 -0.171 0.000 2.347 527 V HA 0.796 4.916 4.120 0.000 0.000 0.280 527 V C -2.360 173.692 176.094 -0.069 0.000 1.021 527 V CA -1.771 60.478 62.300 -0.085 0.000 0.847 527 V CB 1.213 32.977 31.823 -0.099 0.000 0.990 527 V HN 0.647 nan 8.190 nan 0.000 0.444 528 P HA 0.498 nan 4.420 nan 0.000 0.276 528 P C -0.944 176.301 177.300 -0.092 0.000 1.252 528 P CA -0.374 62.696 63.100 -0.050 0.000 0.802 528 P CB 1.305 32.995 31.700 -0.017 0.000 1.035 529 V N 0.461 120.277 119.914 -0.163 0.000 2.577 529 V HA 0.565 4.685 4.120 0.000 0.000 0.303 529 V C -0.022 175.824 176.094 -0.413 0.000 1.042 529 V CA -1.058 61.059 62.300 -0.304 0.000 0.872 529 V CB 1.530 33.146 31.823 -0.346 0.000 0.998 529 V HN 0.684 nan 8.190 nan 0.000 0.423 530 A N 2.614 125.056 122.820 -0.631 0.000 2.347 530 A HA 0.535 4.855 4.320 0.000 0.000 0.287 530 A C -0.179 177.011 177.584 -0.658 0.000 1.199 530 A CA 0.003 51.624 52.037 -0.692 0.000 0.851 530 A CB -0.018 18.331 19.000 -1.085 0.000 1.118 530 A HN 0.868 nan 8.150 nan 0.000 0.525 531 D N 2.575 122.767 120.400 -0.347 0.000 2.479 531 D HA 0.426 5.066 4.640 0.000 0.000 0.247 531 D C -1.007 175.218 176.300 -0.125 0.000 1.119 531 D CA -0.082 53.842 54.000 -0.126 0.000 0.922 531 D CB 0.396 41.233 40.800 0.061 0.000 1.014 531 D HN 0.348 nan 8.370 nan 0.000 0.510 532 L N 3.578 124.674 121.223 -0.212 0.000 2.295 532 L HA 0.595 4.935 4.340 0.000 0.000 0.285 532 L C -1.523 175.207 176.870 -0.233 0.000 1.035 532 L CA -0.407 54.335 54.840 -0.163 0.000 0.806 532 L CB 0.741 42.686 42.059 -0.191 0.000 1.214 532 L HN 0.138 nan 8.230 nan 0.000 0.426 533 F N 5.176 125.141 119.950 0.026 0.000 2.366 533 F HA 0.744 5.271 4.527 0.000 0.000 0.366 533 F C 0.251 176.032 175.800 -0.032 0.000 1.096 533 F CA -0.288 57.722 58.000 0.016 0.000 1.060 533 F CB 1.453 40.441 39.000 -0.020 0.000 1.282 533 F HN 0.632 nan 8.300 nan 0.000 0.450 534 A N 2.264 125.098 122.820 0.022 0.000 2.422 534 A HA 0.931 5.251 4.320 0.000 0.000 0.302 534 A C -1.254 176.343 177.584 0.021 0.000 1.041 534 A CA -0.646 51.293 52.037 -0.163 0.000 0.708 534 A CB 1.190 19.600 19.000 -0.983 0.000 1.257 534 A HN 0.764 nan 8.150 nan 0.000 0.414 535 A N 0.783 123.671 122.820 0.114 0.000 2.340 535 A HA 0.921 5.241 4.320 0.000 0.000 0.331 535 A C -0.093 177.678 177.584 0.313 0.000 1.140 535 A CA -0.268 51.891 52.037 0.202 0.000 0.801 535 A CB 1.499 20.582 19.000 0.139 0.000 1.234 535 A HN 1.453 nan 8.150 nan 0.000 0.469 536 T N -0.655 114.081 114.554 0.304 0.000 2.909 536 T HA 0.443 4.793 4.350 0.000 0.000 0.299 536 T C 1.070 175.851 174.700 0.136 0.000 1.073 536 T CA 0.235 62.477 62.100 0.237 0.000 0.999 536 T CB 1.275 70.291 68.868 0.247 0.000 1.098 536 T HN 1.247 nan 8.240 nan 0.000 0.477 537 S N 2.209 117.957 115.700 0.080 0.000 2.489 537 S HA 0.247 4.717 4.470 0.000 0.000 0.228 537 S C 1.238 175.870 174.600 0.054 0.000 0.995 537 S CA 0.288 58.523 58.200 0.059 0.000 0.934 537 S CB -0.332 62.892 63.200 0.040 0.000 0.771 537 S HN 0.907 nan 8.310 nan 0.000 0.522 538 G N 1.157 109.989 108.800 0.054 0.000 2.509 538 G HA2 0.418 4.378 3.960 0.000 0.000 0.269 538 G HA3 0.418 4.378 3.960 0.000 0.000 0.269 538 G C 0.523 175.464 174.900 0.068 0.000 1.416 538 G CA 0.195 45.323 45.100 0.048 0.000 1.052 538 G HN 0.417 nan 8.290 nan 0.000 0.542 539 T N -2.983 111.616 114.554 0.074 0.000 3.132 539 T HA 0.347 4.697 4.350 0.000 0.000 0.274 539 T C -0.247 174.536 174.700 0.137 0.000 1.011 539 T CA -0.013 62.143 62.100 0.093 0.000 0.899 539 T CB 0.391 69.314 68.868 0.093 0.000 1.089 539 T HN 0.413 nan 8.240 nan 0.000 0.543 540 D N -0.463 120.005 120.400 0.113 0.000 2.653 540 D HA 0.656 5.296 4.640 0.000 0.000 0.258 540 D C -1.589 174.718 176.300 0.012 0.000 1.252 540 D CA -0.182 53.884 54.000 0.110 0.000 0.777 540 D CB 2.055 42.921 40.800 0.110 0.000 1.339 540 D HN 0.032 nan 8.370 nan 0.000 0.422 541 S N 0.206 115.875 115.700 -0.052 0.000 2.622 541 S HA 0.370 4.840 4.470 0.000 0.000 0.275 541 S C -2.085 172.253 174.600 -0.435 0.000 1.112 541 S CA -0.790 57.219 58.200 -0.319 0.000 0.837 541 S CB 1.333 64.180 63.200 -0.587 0.000 1.082 541 S HN 0.388 nan 8.310 nan 0.000 0.456 542 D N 0.465 120.533 120.400 -0.554 0.000 2.198 542 D HA 0.593 5.233 4.640 0.000 0.000 0.247 542 D C -1.266 174.601 176.300 -0.722 0.000 1.010 542 D CA -0.020 53.729 54.000 -0.419 0.000 0.880 542 D CB 0.879 41.567 40.800 -0.186 0.000 1.209 542 D HN 0.435 nan 8.370 nan 0.000 0.451 543 W N 1.175 122.443 121.300 -0.053 0.000 2.543 543 W HA 0.447 5.107 4.660 0.000 0.000 0.318 543 W C -0.928 175.561 176.519 -0.051 0.000 1.002 543 W CA -0.883 56.425 57.345 -0.062 0.000 1.302 543 W CB 1.156 30.515 29.460 -0.168 0.000 1.299 543 W HN -0.067 nan 8.180 nan 0.000 0.424 544 V N 4.523 124.479 119.914 0.071 0.000 2.407 544 V HA 0.510 4.630 4.120 0.000 0.000 0.278 544 V C -0.162 175.915 176.094 -0.030 0.000 1.037 544 V CA -0.886 61.316 62.300 -0.165 0.000 0.900 544 V CB 1.226 32.672 31.823 -0.628 0.000 0.983 544 V HN 0.273 nan 8.190 nan 0.000 0.459 545 V N 5.625 125.566 119.914 0.045 0.000 2.487 545 V HA 0.519 4.639 4.120 0.000 0.000 0.298 545 V C -0.286 175.847 176.094 0.064 0.000 1.028 545 V CA -0.939 61.408 62.300 0.078 0.000 0.860 545 V CB 1.913 33.806 31.823 0.116 0.000 0.991 545 V HN 0.866 nan 8.190 nan 0.000 0.427 546 K N 4.386 124.820 120.400 0.056 0.000 2.345 546 K HA 0.659 4.979 4.320 0.000 0.000 0.255 546 K C -1.368 175.291 176.600 0.099 0.000 0.934 546 K CA -0.849 55.500 56.287 0.104 0.000 0.801 546 K CB 2.667 35.237 32.500 0.116 0.000 1.137 546 K HN 0.442 nan 8.250 nan 0.000 0.424 547 L N 4.826 126.121 121.223 0.121 0.000 2.265 547 L HA 0.517 4.857 4.340 0.000 0.000 0.289 547 L C -1.258 175.720 176.870 0.180 0.000 1.033 547 L CA -0.255 54.660 54.840 0.124 0.000 0.814 547 L CB 0.576 42.709 42.059 0.124 0.000 1.203 547 L HN 0.593 nan 8.230 nan 0.000 0.423 548 I N 3.827 124.511 120.570 0.191 0.000 2.608 548 I HA 0.337 4.507 4.170 0.000 0.000 0.295 548 I C -1.020 175.308 176.117 0.352 0.000 1.049 548 I CA -0.723 60.716 61.300 0.232 0.000 1.063 548 I CB 2.152 40.251 38.000 0.164 0.000 1.248 548 I HN 0.501 nan 8.210 nan 0.000 0.424 549 D N 5.653 126.302 120.400 0.415 0.000 2.373 549 D HA 0.277 4.917 4.640 0.000 0.000 0.227 549 D C -0.850 175.685 176.300 0.392 0.000 1.091 549 D CA -0.240 54.100 54.000 0.568 0.000 0.840 549 D CB 1.353 42.455 40.800 0.503 0.000 1.060 549 D HN 0.067 nan 8.370 nan 0.000 0.502 550 V N 5.340 125.449 119.914 0.324 0.000 2.408 550 V HA 0.127 4.247 4.120 0.000 0.000 0.267 550 V C 0.760 176.923 176.094 0.114 0.000 1.047 550 V CA -0.729 61.686 62.300 0.192 0.000 0.937 550 V CB 0.930 32.826 31.823 0.122 0.000 0.999 550 V HN 0.502 nan 8.190 nan 0.000 0.472 551 Q N 5.455 125.272 119.800 0.028 0.000 2.492 551 Q HA 0.241 4.581 4.340 0.000 0.000 0.238 551 Q C -2.252 173.569 176.000 -0.298 0.000 1.045 551 Q CA -1.938 53.700 55.803 -0.275 0.000 0.934 551 Q CB -0.136 28.551 28.738 -0.086 0.000 1.276 551 Q HN 0.428 nan 8.270 nan 0.000 0.521 552 P HA -0.058 nan 4.420 nan 0.000 0.264 552 P C 0.032 177.282 177.300 -0.083 0.000 1.183 552 P CA 0.505 63.494 63.100 -0.185 0.000 0.763 552 P CB 0.413 32.032 31.700 -0.134 0.000 0.807 553 A N 4.119 126.915 122.820 -0.038 0.000 1.971 553 A HA -0.175 4.145 4.320 0.000 0.000 0.222 553 A C 0.950 178.525 177.584 -0.014 0.000 1.182 553 A CA 1.829 53.856 52.037 -0.017 0.000 0.649 553 A CB -0.664 18.333 19.000 -0.006 0.000 0.818 553 A HN 0.499 nan 8.150 nan 0.000 0.458 554 M N -0.231 119.359 119.600 -0.017 0.000 2.326 554 M HA 0.315 4.795 4.480 0.000 0.000 0.306 554 M C -0.841 175.448 176.300 -0.018 0.000 1.054 554 M CA -0.080 55.212 55.300 -0.012 0.000 0.922 554 M CB 1.667 34.263 32.600 -0.006 0.000 1.632 554 M HN 0.260 nan 8.290 nan 0.000 0.436 555 T N -0.774 113.769 114.554 -0.018 0.000 3.241 555 T HA 0.412 4.762 4.350 0.000 0.000 0.387 555 T C -2.034 172.657 174.700 -0.015 0.000 1.451 555 T CA -1.373 60.714 62.100 -0.021 0.000 1.363 555 T CB 0.547 69.395 68.868 -0.033 0.000 1.074 555 T HN 0.386 nan 8.240 nan 0.000 0.598 556 P HA -0.014 nan 4.420 nan 0.000 0.225 556 P C 0.460 177.754 177.300 -0.010 0.000 1.148 556 P CA 0.812 63.907 63.100 -0.008 0.000 0.779 556 P CB 0.287 31.985 31.700 -0.004 0.000 0.780 557 D N -0.624 119.769 120.400 -0.012 0.000 2.323 557 D HA -0.030 4.610 4.640 0.000 0.000 0.209 557 D C 0.334 176.621 176.300 -0.023 0.000 0.973 557 D CA 1.191 55.182 54.000 -0.014 0.000 0.874 557 D CB -0.134 40.659 40.800 -0.011 0.000 0.930 557 D HN 0.181 nan 8.370 nan 0.000 0.521 558 D N -1.231 119.152 120.400 -0.028 0.000 2.668 558 D HA 0.141 4.781 4.640 0.000 0.000 0.247 558 D C -2.094 174.187 176.300 -0.033 0.000 1.268 558 D CA -1.725 52.252 54.000 -0.039 0.000 0.842 558 D CB 1.257 42.022 40.800 -0.060 0.000 1.399 558 D HN -0.241 nan 8.370 nan 0.000 0.530 559 P HA -0.227 nan 4.420 nan 0.000 0.218 559 P C 1.301 178.598 177.300 -0.004 0.000 1.154 559 P CA 1.643 64.736 63.100 -0.012 0.000 0.872 559 P CB 0.086 31.780 31.700 -0.009 0.000 0.790 560 K N -1.088 119.309 120.400 -0.004 0.000 2.281 560 K HA -0.100 4.220 4.320 0.000 0.000 0.203 560 K C 1.427 178.058 176.600 0.052 0.000 1.046 560 K CA 1.367 57.666 56.287 0.019 0.000 0.938 560 K CB -0.607 31.900 32.500 0.012 0.000 0.737 560 K HN 0.081 nan 8.250 nan 0.000 0.458 561 M N 1.494 121.094 119.600 0.001 0.000 2.556 561 M HA 0.111 4.591 4.480 0.000 0.000 0.245 561 M C 0.745 177.075 176.300 0.050 0.000 1.128 561 M CA 0.223 55.517 55.300 -0.010 0.000 1.069 561 M CB -0.402 32.118 32.600 -0.133 0.000 1.469 561 M HN 0.212 nan 8.290 nan 0.000 0.494 562 G N 0.345 109.165 108.800 0.033 0.000 2.254 562 G HA2 0.319 4.279 3.960 0.000 0.000 0.253 562 G HA3 0.319 4.279 3.960 0.000 0.000 0.253 562 G C 1.114 176.040 174.900 0.043 0.000 1.246 562 G CA 0.380 45.492 45.100 0.019 0.000 0.946 562 G HN 0.696 nan 8.290 nan 0.000 0.474 563 G N 1.659 110.476 108.800 0.028 0.000 2.175 563 G HA2 -0.328 3.632 3.960 0.000 0.000 0.265 563 G HA3 -0.328 3.632 3.960 0.000 0.000 0.265 563 G C 0.467 175.412 174.900 0.076 0.000 0.979 563 G CA 0.698 45.818 45.100 0.033 0.000 0.663 563 G HN 1.104 nan 8.290 nan 0.000 0.533 564 Y N 1.560 121.844 120.300 -0.025 0.000 2.717 564 Y HA 0.342 4.892 4.550 0.000 0.000 0.330 564 Y C 0.808 176.716 175.900 0.014 0.000 1.217 564 Y CA 0.563 58.656 58.100 -0.012 0.000 1.506 564 Y CB 0.490 38.936 38.460 -0.023 0.000 1.268 564 Y HN 0.334 nan 8.280 nan 0.000 0.561 565 E N 6.838 127.004 120.200 -0.056 0.000 1.986 565 E HA 0.148 4.498 4.350 0.000 0.000 0.264 565 E C -1.314 175.345 176.600 0.098 0.000 1.023 565 E CA -0.609 55.813 56.400 0.038 0.000 0.834 565 E CB 0.509 30.194 29.700 -0.025 0.000 1.111 565 E HN 0.397 nan 8.360 nan 0.000 0.417 566 L N 5.352 126.759 121.223 0.306 0.000 2.283 566 L HA 0.323 4.663 4.340 0.000 0.000 0.287 566 L C -2.558 174.447 176.870 0.226 0.000 1.073 566 L CA -2.176 52.856 54.840 0.321 0.000 0.822 566 L CB 0.350 42.595 42.059 0.310 0.000 1.186 566 L HN 0.162 nan 8.230 nan 0.000 0.436 567 P HA 0.072 nan 4.420 nan 0.000 0.276 567 P C 0.574 178.054 177.300 0.300 0.000 1.243 567 P CA -0.173 63.056 63.100 0.214 0.000 0.768 567 P CB 1.004 32.821 31.700 0.194 0.000 0.856 568 V N 0.565 120.606 119.914 0.212 0.000 3.431 568 V HA 0.258 4.378 4.120 0.000 0.000 0.253 568 V C 0.561 176.679 176.094 0.040 0.000 1.184 568 V CA 0.589 62.952 62.300 0.105 0.000 1.104 568 V CB -0.044 31.673 31.823 -0.178 0.000 0.799 568 V HN 0.551 nan 8.190 nan 0.000 0.462 569 S N 1.104 116.874 115.700 0.115 0.000 2.584 569 S HA 0.743 5.213 4.470 0.000 0.000 0.280 569 S C -1.012 173.698 174.600 0.183 0.000 1.162 569 S CA -0.653 57.614 58.200 0.111 0.000 0.951 569 S CB 1.137 64.379 63.200 0.069 0.000 1.108 569 S HN 0.615 nan 8.310 nan 0.000 0.464 570 M N 2.804 122.556 119.600 0.253 0.000 2.465 570 M HA 0.754 5.234 4.480 0.000 0.000 0.284 570 M C -1.756 174.833 176.300 0.481 0.000 1.212 570 M CA -0.738 54.767 55.300 0.341 0.000 0.910 570 M CB 2.209 35.052 32.600 0.405 0.000 1.725 570 M HN 0.483 nan 8.290 nan 0.000 0.477 571 D N 0.848 121.522 120.400 0.457 0.000 2.665 571 D HA 0.669 5.309 4.640 0.000 0.000 0.287 571 D C -1.966 174.557 176.300 0.371 0.000 1.266 571 D CA -0.398 53.948 54.000 0.577 0.000 0.830 571 D CB 3.155 44.338 40.800 0.639 0.000 1.356 571 D HN 0.843 nan 8.370 nan 0.000 0.437 572 I N 0.903 121.677 120.570 0.341 0.000 2.646 572 I HA 0.618 4.788 4.170 0.000 0.000 0.299 572 I C -1.513 174.643 176.117 0.064 0.000 1.036 572 I CA -0.919 60.424 61.300 0.072 0.000 1.074 572 I CB 1.641 39.543 38.000 -0.164 0.000 1.258 572 I HN 0.286 nan 8.210 nan 0.000 0.430 573 F N 6.653 126.452 119.950 -0.252 0.000 2.539 573 F HA 0.498 5.025 4.527 0.000 0.000 0.318 573 F C -0.419 175.333 175.800 -0.080 0.000 1.135 573 F CA -0.765 57.025 58.000 -0.350 0.000 0.915 573 F CB 1.172 39.531 39.000 -1.070 0.000 1.176 573 F HN 0.404 nan 8.300 nan 0.000 0.440 574 R N 4.156 124.500 120.500 -0.261 0.000 2.220 574 R HA 0.292 4.632 4.340 0.000 0.000 0.340 574 R C 1.308 177.696 176.300 0.148 0.000 1.076 574 R CA 0.567 56.662 56.100 -0.008 0.000 0.920 574 R CB 0.730 31.081 30.300 0.085 0.000 1.062 574 R HN 0.991 nan 8.270 nan 0.000 0.469 575 G N 5.114 114.114 108.800 0.333 0.000 2.545 575 G HA2 -0.399 3.561 3.960 0.000 0.000 0.222 575 G HA3 -0.399 3.561 3.960 0.000 0.000 0.222 575 G C 1.288 176.433 174.900 0.408 0.000 1.126 575 G CA 1.138 46.592 45.100 0.591 0.000 0.754 575 G HN 0.806 nan 8.290 nan 0.000 0.583 576 R N -0.592 119.974 120.500 0.110 0.000 2.200 576 R HA -0.083 4.257 4.340 0.000 0.000 0.234 576 R C 1.272 177.511 176.300 -0.102 0.000 1.127 576 R CA 1.361 57.440 56.100 -0.034 0.000 0.989 576 R CB -0.642 29.573 30.300 -0.142 0.000 0.869 576 R HN 0.491 nan 8.270 nan 0.000 0.459 577 Y N 0.694 121.138 120.300 0.240 0.000 2.583 577 Y HA 0.272 4.822 4.550 0.000 0.000 0.294 577 Y C 2.232 178.246 175.900 0.190 0.000 1.170 577 Y CA -0.595 57.615 58.100 0.183 0.000 1.265 577 Y CB 0.036 38.643 38.460 0.244 0.000 1.119 577 Y HN 0.011 nan 8.280 nan 0.000 0.522 578 R N 1.152 121.902 120.500 0.417 0.000 2.091 578 R HA -0.192 4.148 4.340 0.000 0.000 0.238 578 R C 1.537 177.850 176.300 0.022 0.000 1.136 578 R CA 1.860 58.135 56.100 0.291 0.000 0.959 578 R CB 0.135 30.473 30.300 0.064 0.000 0.856 578 R HN 0.316 nan 8.270 nan 0.000 0.437 579 K N -1.241 119.156 120.400 -0.005 0.000 2.128 579 K HA 0.012 4.332 4.320 0.000 0.000 0.202 579 K C 0.023 176.576 176.600 -0.078 0.000 1.050 579 K CA 0.632 56.885 56.287 -0.058 0.000 0.966 579 K CB 0.327 32.803 32.500 -0.039 0.000 0.759 579 K HN 0.050 nan 8.250 nan 0.000 0.454 580 D N -1.310 119.066 120.400 -0.039 0.000 2.970 580 D HA 0.101 4.741 4.640 0.000 0.000 0.230 580 D C -0.040 176.308 176.300 0.080 0.000 1.276 580 D CA -0.493 53.488 54.000 -0.031 0.000 0.910 580 D CB 0.958 41.786 40.800 0.047 0.000 1.590 580 D HN -0.206 nan 8.370 nan 0.000 0.551 581 F N 2.019 122.087 119.950 0.196 0.000 2.216 581 F HA 0.004 4.531 4.527 0.000 0.000 0.300 581 F C 2.434 178.218 175.800 -0.028 0.000 1.085 581 F CA 1.169 59.200 58.000 0.052 0.000 1.326 581 F CB -0.430 38.467 39.000 -0.171 0.000 1.027 581 F HN 0.501 nan 8.300 nan 0.000 0.497 582 A N -1.312 121.635 122.820 0.212 0.000 2.072 582 A HA 0.030 4.350 4.320 0.000 0.000 0.216 582 A C 1.005 178.692 177.584 0.170 0.000 1.156 582 A CA 0.669 52.777 52.037 0.118 0.000 0.701 582 A CB -0.079 18.966 19.000 0.075 0.000 0.816 582 A HN -0.037 nan 8.150 nan 0.000 0.458 583 K N 1.285 121.812 120.400 0.212 0.000 2.592 583 K HA 0.312 4.632 4.320 0.000 0.000 0.212 583 K C -3.163 173.564 176.600 0.211 0.000 1.013 583 K CA -2.002 54.394 56.287 0.182 0.000 1.034 583 K CB 1.525 34.090 32.500 0.107 0.000 1.292 583 K HN 0.190 nan 8.250 nan 0.000 0.521 584 P HA 0.169 nan 4.420 nan 0.000 0.271 584 P C -0.569 176.821 177.300 0.150 0.000 1.218 584 P CA 0.021 63.218 63.100 0.162 0.000 0.780 584 P CB 1.273 33.044 31.700 0.119 0.000 0.901 585 E N 0.164 120.365 120.200 0.001 0.000 2.356 585 E HA 0.538 4.888 4.350 0.000 0.000 0.275 585 E C -0.769 175.476 176.600 -0.591 0.000 0.904 585 E CA -1.120 55.085 56.400 -0.326 0.000 0.757 585 E CB 2.471 32.065 29.700 -0.178 0.000 1.232 585 E HN 0.483 nan 8.360 nan 0.000 0.442 586 A N 2.730 124.873 122.820 -1.128 0.000 2.445 586 A HA 0.312 4.632 4.320 0.000 0.000 0.242 586 A C -0.176 177.258 177.584 -0.249 0.000 1.075 586 A CA -0.015 51.559 52.037 -0.771 0.000 0.777 586 A CB 0.152 18.738 19.000 -0.689 0.000 1.013 586 A HN 0.514 nan 8.150 nan 0.000 0.493 587 L N 0.914 122.102 121.223 -0.057 0.000 2.375 587 L HA 0.296 4.636 4.340 0.000 0.000 0.271 587 L C 0.493 177.374 176.870 0.018 0.000 1.107 587 L CA -0.644 54.217 54.840 0.036 0.000 0.806 587 L CB 1.042 43.199 42.059 0.162 0.000 1.146 587 L HN 0.811 nan 8.230 nan 0.000 0.447 588 Q N 4.164 123.978 119.800 0.022 0.000 2.307 588 Q HA 0.219 4.559 4.340 0.000 0.000 0.261 588 Q C -2.363 173.666 176.000 0.049 0.000 1.051 588 Q CA -1.445 54.368 55.803 0.017 0.000 0.911 588 Q CB 0.809 29.551 28.738 0.006 0.000 1.227 588 Q HN 0.150 nan 8.270 nan 0.000 0.418 589 P HA 0.006 nan 4.420 nan 0.000 0.268 589 P C -0.765 176.568 177.300 0.055 0.000 1.204 589 P CA 0.295 63.429 63.100 0.057 0.000 0.768 589 P CB 0.571 32.297 31.700 0.042 0.000 0.842 590 D N -1.119 119.323 120.400 0.071 0.000 3.077 590 D HA -0.192 4.448 4.640 0.000 0.000 0.217 590 D C 0.078 176.413 176.300 0.059 0.000 1.162 590 D CA 1.516 55.555 54.000 0.065 0.000 0.943 590 D CB -1.461 39.367 40.800 0.046 0.000 1.122 590 D HN 0.526 nan 8.370 nan 0.000 0.413 591 A N 0.229 123.087 122.820 0.064 0.000 2.301 591 A HA 0.562 4.882 4.320 0.000 0.000 0.312 591 A C 0.515 178.138 177.584 0.065 0.000 1.182 591 A CA -0.169 51.895 52.037 0.046 0.000 0.826 591 A CB 0.963 19.980 19.000 0.029 0.000 1.134 591 A HN -0.018 nan 8.150 nan 0.000 0.501 592 T N 3.522 118.102 114.554 0.043 0.000 2.737 592 T HA 0.459 4.809 4.350 0.000 0.000 0.296 592 T C -0.110 174.623 174.700 0.056 0.000 0.922 592 T CA 0.456 62.592 62.100 0.061 0.000 1.079 592 T CB -0.419 68.452 68.868 0.005 0.000 0.892 592 T HN 0.416 nan 8.240 nan 0.000 0.514 593 L N 2.649 123.898 121.223 0.043 0.000 2.342 593 L HA 0.459 4.799 4.340 0.000 0.000 0.271 593 L C 0.353 177.088 176.870 -0.225 0.000 1.008 593 L CA -1.098 53.678 54.840 -0.106 0.000 0.818 593 L CB 1.813 43.742 42.059 -0.217 0.000 1.296 593 L HN 0.644 nan 8.230 nan 0.000 0.427 594 H N 1.662 120.449 119.070 -0.472 0.000 2.562 594 H HA 0.355 4.911 4.556 0.000 0.000 0.314 594 H C -1.586 173.294 175.328 -0.747 0.000 1.079 594 H CA -0.497 55.142 56.048 -0.682 0.000 1.349 594 H CB 0.754 30.202 29.762 -0.524 0.000 1.432 594 H HN 0.412 nan 8.280 nan 0.000 0.479 595 Y N 3.122 123.093 120.300 -0.549 0.000 2.393 595 Y HA 0.214 4.764 4.550 0.000 0.000 0.341 595 Y C -0.406 175.174 175.900 -0.534 0.000 0.988 595 Y CA -0.826 56.953 58.100 -0.536 0.000 1.078 595 Y CB 1.551 39.753 38.460 -0.431 0.000 1.203 595 Y HN 0.687 nan 8.280 nan 0.000 0.453 596 H N 4.436 123.250 119.070 -0.427 0.000 3.108 596 H HA 0.560 5.116 4.556 0.000 0.000 0.329 596 H C -1.756 173.502 175.328 -0.117 0.000 0.978 596 H CA -1.092 54.732 56.048 -0.373 0.000 1.413 596 H CB 0.571 30.066 29.762 -0.445 0.000 1.670 596 H HN 0.509 nan 8.280 nan 0.000 0.512 597 F N 1.269 120.977 119.950 -0.405 0.000 2.641 597 F HA 0.476 5.003 4.527 0.000 0.000 0.308 597 F C -0.670 175.086 175.800 -0.073 0.000 1.105 597 F CA -1.123 56.759 58.000 -0.195 0.000 0.964 597 F CB 0.825 39.620 39.000 -0.342 0.000 1.294 597 F HN 0.390 nan 8.300 nan 0.000 0.442 598 T N 1.243 115.968 114.554 0.286 0.000 2.913 598 T HA 0.657 5.007 4.350 0.000 0.000 0.297 598 T C -0.342 174.594 174.700 0.394 0.000 1.029 598 T CA -0.497 61.737 62.100 0.223 0.000 1.104 598 T CB 1.021 70.035 68.868 0.242 0.000 0.964 598 T HN 0.719 nan 8.240 nan 0.000 0.532 599 L N 2.304 123.653 121.223 0.211 0.000 2.304 599 L HA 0.547 4.887 4.340 0.000 0.000 0.268 599 L C -2.212 174.766 176.870 0.181 0.000 1.010 599 L CA -3.129 51.863 54.840 0.253 0.000 0.813 599 L CB 1.439 43.585 42.059 0.146 0.000 1.315 599 L HN 0.434 nan 8.230 nan 0.000 0.445 600 P HA 0.019 nan 4.420 nan 0.000 0.267 600 P C -0.799 176.514 177.300 0.023 0.000 1.200 600 P CA -0.166 62.988 63.100 0.091 0.000 0.772 600 P CB 0.449 32.197 31.700 0.079 0.000 0.855 601 A N 2.411 125.224 122.820 -0.010 0.000 2.483 601 A HA 0.435 4.755 4.320 0.000 0.000 0.238 601 A C 0.203 177.751 177.584 -0.060 0.000 1.070 601 A CA 0.036 52.074 52.037 0.003 0.000 0.770 601 A CB -0.310 18.731 19.000 0.068 0.000 1.008 601 A HN 0.470 nan 8.150 nan 0.000 0.497 602 V N -0.438 119.472 119.914 -0.006 0.000 2.914 602 V HA 0.848 4.968 4.120 0.000 0.000 0.314 602 V C -0.630 175.474 176.094 0.017 0.000 1.084 602 V CA -0.840 61.427 62.300 -0.056 0.000 0.963 602 V CB 2.161 33.975 31.823 -0.016 0.000 1.025 602 V HN 0.899 nan 8.190 nan 0.000 0.432 603 N N 1.053 119.729 118.700 -0.041 0.000 2.722 603 N HA 0.420 5.160 4.740 0.000 0.000 0.242 603 N C -1.194 174.303 175.510 -0.022 0.000 1.398 603 N CA -0.183 52.870 53.050 0.005 0.000 0.755 603 N CB 0.471 38.929 38.487 -0.048 0.000 1.268 603 N HN 1.125 nan 8.380 nan 0.000 0.522 604 H N -0.158 118.821 119.070 -0.152 0.000 2.908 604 H HA 0.792 5.348 4.556 0.000 0.000 0.350 604 H C -1.375 173.808 175.328 -0.243 0.000 1.217 604 H CA -0.694 55.203 56.048 -0.251 0.000 1.168 604 H CB 1.750 31.286 29.762 -0.376 0.000 1.891 604 H HN -0.052 nan 8.280 nan 0.000 0.566 605 V N 2.865 122.213 119.914 -0.943 0.000 2.567 605 V HA 0.228 4.348 4.120 0.000 0.000 0.298 605 V C -1.081 174.565 176.094 -0.747 0.000 1.047 605 V CA -0.649 61.303 62.300 -0.579 0.000 0.880 605 V CB 1.034 32.637 31.823 -0.367 0.000 1.009 605 V HN 0.571 nan 8.190 nan 0.000 0.429 606 F N 3.842 123.669 119.950 -0.205 0.000 2.404 606 F HA 0.649 5.176 4.527 0.000 0.000 0.359 606 F C 1.028 176.699 175.800 -0.215 0.000 1.134 606 F CA -0.017 57.903 58.000 -0.134 0.000 1.160 606 F CB 0.834 39.879 39.000 0.076 0.000 1.186 606 F HN 0.599 nan 8.300 nan 0.000 0.526 607 A N 4.330 126.934 122.820 -0.361 0.000 2.259 607 A HA 0.411 4.731 4.320 0.000 0.000 0.278 607 A C 0.302 177.889 177.584 0.005 0.000 1.107 607 A CA -0.846 51.055 52.037 -0.226 0.000 0.828 607 A CB 0.418 19.229 19.000 -0.315 0.000 1.111 607 A HN 0.684 nan 8.150 nan 0.000 0.498 608 K N -0.509 119.928 120.400 0.062 0.000 2.448 608 K HA 0.334 4.654 4.320 0.000 0.000 0.278 608 K C 1.094 177.822 176.600 0.214 0.000 1.009 608 K CA 1.128 57.485 56.287 0.117 0.000 0.995 608 K CB 0.156 32.702 32.500 0.077 0.000 0.917 608 K HN 1.363 nan 8.250 nan 0.000 0.481 609 G N 1.577 110.491 108.800 0.190 0.000 2.241 609 G HA2 -0.239 3.722 3.960 0.000 0.000 0.244 609 G HA3 -0.239 3.722 3.960 0.000 0.000 0.244 609 G C 0.174 175.185 174.900 0.184 0.000 0.998 609 G CA -0.178 45.023 45.100 0.168 0.000 0.621 609 G HN 0.761 nan 8.290 nan 0.000 0.519 610 H N 0.168 119.301 119.070 0.106 0.000 2.497 610 H HA 0.698 5.254 4.556 0.000 0.000 0.331 610 H C 0.562 175.965 175.328 0.125 0.000 1.457 610 H CA -0.212 55.921 56.048 0.141 0.000 1.459 610 H CB 0.831 30.724 29.762 0.218 0.000 1.728 610 H HN 0.246 nan 8.280 nan 0.000 0.691 611 R N 0.102 120.759 120.500 0.261 0.000 2.808 611 R HA 0.455 4.795 4.340 0.000 0.000 0.272 611 R C -0.868 175.494 176.300 0.104 0.000 0.995 611 R CA -0.804 55.376 56.100 0.134 0.000 0.917 611 R CB 1.984 32.330 30.300 0.077 0.000 1.217 611 R HN 0.393 nan 8.270 nan 0.000 0.471 612 I N 2.244 122.762 120.570 -0.086 0.000 2.392 612 I HA 0.427 4.597 4.170 0.000 0.000 0.295 612 I C -0.125 175.934 176.117 -0.097 0.000 0.985 612 I CA -0.479 60.657 61.300 -0.273 0.000 1.221 612 I CB 1.682 39.333 38.000 -0.583 0.000 1.366 612 I HN 0.433 nan 8.210 nan 0.000 0.467 613 M N 6.557 126.146 119.600 -0.018 0.000 2.572 613 M HA 0.684 5.164 4.480 0.000 0.000 0.299 613 M C -2.075 174.251 176.300 0.043 0.000 1.205 613 M CA -0.580 54.738 55.300 0.031 0.000 0.876 613 M CB 2.438 35.078 32.600 0.067 0.000 1.728 613 M HN 0.306 nan 8.290 nan 0.000 0.458 614 V N 3.436 123.393 119.914 0.072 0.000 2.577 614 V HA 0.474 4.594 4.120 0.000 0.000 0.303 614 V C -1.037 175.143 176.094 0.145 0.000 1.042 614 V CA -0.539 61.807 62.300 0.078 0.000 0.872 614 V CB 2.009 33.842 31.823 0.016 0.000 0.998 614 V HN 0.882 nan 8.190 nan 0.000 0.423 615 Q N 4.188 124.050 119.800 0.103 0.000 2.340 615 Q HA 0.707 5.047 4.340 0.000 0.000 0.268 615 Q C -1.380 174.654 176.000 0.056 0.000 1.031 615 Q CA -0.538 55.316 55.803 0.084 0.000 0.804 615 Q CB 3.080 31.845 28.738 0.046 0.000 1.286 615 Q HN 0.648 nan 8.270 nan 0.000 0.448 616 I N 2.769 123.370 120.570 0.051 0.000 2.498 616 I HA 0.353 4.523 4.170 0.000 0.000 0.290 616 I C -0.314 175.739 176.117 -0.106 0.000 1.032 616 I CA -0.506 60.824 61.300 0.050 0.000 1.073 616 I CB 1.784 39.894 38.000 0.182 0.000 1.251 616 I HN 0.622 nan 8.210 nan 0.000 0.426 617 Q N 2.922 122.693 119.800 -0.049 0.000 2.693 617 Q HA 0.566 4.906 4.340 0.000 0.000 0.306 617 Q C -1.170 174.886 176.000 0.094 0.000 0.969 617 Q CA -0.898 54.850 55.803 -0.091 0.000 0.757 617 Q CB 1.975 30.632 28.738 -0.134 0.000 1.494 617 Q HN 0.403 nan 8.270 nan 0.000 0.459 618 S N -0.011 115.754 115.700 0.110 0.000 2.846 618 S HA 0.297 4.767 4.470 0.000 0.000 0.249 618 S C -0.753 173.838 174.600 -0.014 0.000 1.028 618 S CA 0.254 58.434 58.200 -0.033 0.000 1.043 618 S CB 0.518 63.639 63.200 -0.130 0.000 0.990 618 S HN 0.626 nan 8.310 nan 0.000 0.564 619 S N -0.173 115.566 115.700 0.065 0.000 2.596 619 S HA 0.765 5.235 4.470 0.000 0.000 0.270 619 S C -2.119 172.687 174.600 0.343 0.000 1.155 619 S CA -0.683 57.625 58.200 0.180 0.000 0.827 619 S CB 1.645 64.943 63.200 0.164 0.000 1.130 619 S HN 0.231 nan 8.310 nan 0.000 0.467 620 W N 1.828 123.278 121.300 0.250 0.000 1.521 620 W HA 0.480 5.140 4.660 0.000 0.000 0.317 620 W C -2.120 174.575 176.519 0.294 0.000 1.002 620 W CA -1.566 55.955 57.345 0.293 0.000 1.040 620 W CB 0.624 30.262 29.460 0.295 0.000 1.072 620 W HN 0.686 nan 8.180 nan 0.000 0.340 621 F N 5.004 125.137 119.950 0.304 0.000 2.470 621 F HA 0.662 5.189 4.527 0.000 0.000 0.329 621 F C -1.187 174.751 175.800 0.231 0.000 1.072 621 F CA -2.549 55.528 58.000 0.127 0.000 0.989 621 F CB 1.794 40.838 39.000 0.074 0.000 1.193 621 F HN -0.101 nan 8.300 nan 0.000 0.481 622 P HA -0.025 nan 4.420 nan 0.000 0.255 622 P C 1.519 178.252 177.300 -0.944 0.000 1.248 622 P CA 0.389 62.628 63.100 -1.436 0.000 0.807 622 P CB 0.227 31.157 31.700 -1.284 0.000 1.150 623 L N -0.087 120.556 121.223 -0.967 0.000 1.990 623 L HA -0.089 4.251 4.340 0.000 0.000 0.213 623 L C 0.385 176.642 176.870 -1.021 0.000 1.072 623 L CA 1.798 55.941 54.840 -1.162 0.000 0.755 623 L CB -1.365 39.511 42.059 -1.971 0.000 0.889 623 L HN -0.118 nan 8.230 nan 0.000 0.432 624 Y N 0.708 120.748 120.300 -0.433 0.000 2.341 624 Y HA 0.311 4.861 4.550 0.000 0.000 0.337 624 Y C 0.132 176.027 175.900 -0.009 0.000 1.014 624 Y CA -1.932 56.051 58.100 -0.194 0.000 1.111 624 Y CB 0.426 38.890 38.460 0.006 0.000 1.194 624 Y HN 0.242 nan 8.280 nan 0.000 0.462 625 D N 2.191 122.722 120.400 0.218 0.000 2.400 625 D HA 0.030 4.670 4.640 0.000 0.000 0.238 625 D C -0.358 176.173 176.300 0.386 0.000 1.157 625 D CA -0.325 53.892 54.000 0.362 0.000 0.889 625 D CB 0.665 41.727 40.800 0.436 0.000 1.199 625 D HN 0.467 nan 8.370 nan 0.000 0.436 626 R N 1.059 121.804 120.500 0.407 0.000 2.491 626 R HA 0.142 4.482 4.340 0.000 0.000 0.283 626 R C 0.601 177.052 176.300 0.252 0.000 1.072 626 R CA -0.553 55.716 56.100 0.281 0.000 1.048 626 R CB 0.315 30.719 30.300 0.173 0.000 0.983 626 R HN 0.463 nan 8.270 nan 0.000 0.450 627 N N 3.555 122.337 118.700 0.137 0.000 2.458 627 N HA 0.064 4.804 4.740 0.000 0.000 0.270 627 N C -1.865 173.660 175.510 0.025 0.000 1.102 627 N CA -1.746 51.328 53.050 0.040 0.000 0.967 627 N CB 1.391 39.859 38.487 -0.031 0.000 1.078 627 N HN 0.273 nan 8.380 nan 0.000 0.471 628 P HA -0.076 nan 4.420 nan 0.000 0.222 628 P C -0.332 176.899 177.300 -0.115 0.000 1.147 628 P CA 0.999 63.921 63.100 -0.297 0.000 0.790 628 P CB 0.236 31.559 31.700 -0.627 0.000 0.780 629 Q N -2.902 116.851 119.800 -0.078 0.000 2.493 629 Q HA -0.195 4.145 4.340 0.000 0.000 0.260 629 Q C 0.087 176.077 176.000 -0.017 0.000 0.873 629 Q CA 0.806 56.584 55.803 -0.042 0.000 1.150 629 Q CB -1.772 26.947 28.738 -0.032 0.000 1.393 629 Q HN 0.317 nan 8.270 nan 0.000 0.607 630 K N 0.282 120.661 120.400 -0.036 0.000 2.535 630 K HA 0.405 4.725 4.320 0.000 0.000 0.250 630 K C -1.223 175.387 176.600 0.018 0.000 0.948 630 K CA -0.769 55.519 56.287 0.003 0.000 0.796 630 K CB 0.962 33.440 32.500 -0.036 0.000 1.216 630 K HN 0.006 nan 8.250 nan 0.000 0.432 631 F N 5.645 125.564 119.950 -0.052 0.000 2.533 631 F HA 0.183 4.710 4.527 0.000 0.000 0.378 631 F C -0.344 175.423 175.800 -0.056 0.000 1.070 631 F CA 0.205 58.172 58.000 -0.055 0.000 1.172 631 F CB 0.492 39.470 39.000 -0.037 0.000 1.085 631 F HN 0.225 nan 8.300 nan 0.000 0.552 632 V N 4.842 124.392 119.914 -0.607 0.000 2.864 632 V HA 0.515 4.635 4.120 0.000 0.000 0.314 632 V C -2.164 173.526 176.094 -0.674 0.000 1.073 632 V CA -1.926 60.098 62.300 -0.459 0.000 0.956 632 V CB 1.451 33.114 31.823 -0.266 0.000 1.023 632 V HN 0.528 nan 8.190 nan 0.000 0.435 633 P HA -0.077 nan 4.420 nan 0.000 0.216 633 P C 0.168 177.322 177.300 -0.242 0.000 1.153 633 P CA 1.499 64.430 63.100 -0.282 0.000 0.858 633 P CB 0.110 31.742 31.700 -0.113 0.000 0.789 634 N N -1.363 117.222 118.700 -0.191 0.000 2.500 634 N HA 0.185 4.925 4.740 0.000 0.000 0.291 634 N C 0.516 175.954 175.510 -0.120 0.000 1.092 634 N CA -0.411 52.556 53.050 -0.137 0.000 0.890 634 N CB 0.883 39.316 38.487 -0.089 0.000 1.466 634 N HN -0.218 nan 8.380 nan 0.000 0.507 635 I N 2.233 122.699 120.570 -0.174 0.000 2.493 635 I HA -0.173 3.997 4.170 0.000 0.000 0.254 635 I C 1.377 177.500 176.117 0.008 0.000 1.160 635 I CA 0.960 62.181 61.300 -0.131 0.000 1.445 635 I CB -0.137 37.773 38.000 -0.149 0.000 1.086 635 I HN 0.488 nan 8.210 nan 0.000 0.433 636 F N 0.991 121.001 119.950 0.101 0.000 2.202 636 F HA -0.233 4.294 4.527 0.000 0.000 0.301 636 F C 1.511 177.453 175.800 0.237 0.000 1.082 636 F CA 0.812 58.932 58.000 0.200 0.000 1.313 636 F CB -0.115 38.986 39.000 0.169 0.000 1.024 636 F HN 0.133 nan 8.300 nan 0.000 0.495 637 D N 0.272 120.865 120.400 0.321 0.000 2.388 637 D HA 0.193 4.833 4.640 0.000 0.000 0.221 637 D C 0.562 176.955 176.300 0.155 0.000 1.133 637 D CA 0.107 54.258 54.000 0.252 0.000 0.831 637 D CB -0.193 40.731 40.800 0.207 0.000 0.962 637 D HN 0.022 nan 8.370 nan 0.000 0.502 638 A N 0.928 123.827 122.820 0.131 0.000 2.511 638 A HA 0.138 4.458 4.320 0.000 0.000 0.242 638 A C 0.626 178.307 177.584 0.162 0.000 1.069 638 A CA 0.246 52.305 52.037 0.037 0.000 0.763 638 A CB 0.460 19.384 19.000 -0.128 0.000 1.001 638 A HN -0.016 nan 8.150 nan 0.000 0.498 639 K N 2.728 123.192 120.400 0.107 0.000 2.123 639 K HA 0.367 4.687 4.320 0.000 0.000 0.248 639 K C -1.930 174.822 176.600 0.253 0.000 0.969 639 K CA -1.867 54.517 56.287 0.162 0.000 0.882 639 K CB 0.991 33.545 32.500 0.090 0.000 1.080 639 K HN 0.298 nan 8.250 nan 0.000 0.441 640 P HA -0.258 nan 4.420 nan 0.000 0.216 640 P C 0.770 178.212 177.300 0.236 0.000 1.154 640 P CA 1.441 64.684 63.100 0.239 0.000 0.865 640 P CB 0.105 31.872 31.700 0.111 0.000 0.789 641 A N -0.594 122.311 122.820 0.142 0.000 2.121 641 A HA -0.164 4.156 4.320 0.000 0.000 0.218 641 A C 1.789 179.420 177.584 0.079 0.000 1.154 641 A CA 1.560 53.656 52.037 0.098 0.000 0.679 641 A CB -1.068 17.969 19.000 0.062 0.000 0.795 641 A HN 0.100 nan 8.150 nan 0.000 0.458 642 D N -1.218 119.211 120.400 0.048 0.000 2.224 642 D HA -0.029 4.611 4.640 0.000 0.000 0.205 642 D C -0.288 175.930 176.300 -0.136 0.000 0.965 642 D CA 0.610 54.561 54.000 -0.082 0.000 0.852 642 D CB -0.251 40.427 40.800 -0.203 0.000 0.947 642 D HN 0.560 nan 8.370 nan 0.000 0.494 643 Y N 1.294 121.601 120.300 0.011 0.000 2.587 643 Y HA 0.149 4.699 4.550 0.000 0.000 0.344 643 Y C 0.726 176.627 175.900 0.003 0.000 1.061 643 Y CA 0.128 58.229 58.100 0.001 0.000 1.370 643 Y CB 0.331 38.786 38.460 -0.009 0.000 1.163 643 Y HN -0.335 nan 8.280 nan 0.000 0.527 644 T N 2.964 117.572 114.554 0.091 0.000 2.856 644 T HA 0.455 4.805 4.350 0.000 0.000 0.283 644 T C -0.286 174.449 174.700 0.059 0.000 1.008 644 T CA -0.859 61.280 62.100 0.065 0.000 0.997 644 T CB 1.516 70.403 68.868 0.031 0.000 0.992 644 T HN 0.190 nan 8.240 nan 0.000 0.454 645 V N 2.140 122.088 119.914 0.057 0.000 2.686 645 V HA 0.644 4.764 4.120 0.000 0.000 0.295 645 V C 0.414 176.527 176.094 0.032 0.000 1.055 645 V CA -0.235 62.096 62.300 0.051 0.000 1.050 645 V CB 0.734 32.592 31.823 0.058 0.000 0.984 645 V HN 1.153 nan 8.190 nan 0.000 0.482 646 A N 3.375 126.204 122.820 0.015 0.000 2.539 646 A HA 0.757 5.077 4.320 0.000 0.000 0.296 646 A C -0.352 177.216 177.584 -0.026 0.000 1.073 646 A CA -0.594 51.442 52.037 -0.002 0.000 0.700 646 A CB 1.800 20.790 19.000 -0.016 0.000 1.296 646 A HN 0.657 nan 8.150 nan 0.000 0.405 647 T N 2.940 117.481 114.554 -0.021 0.000 2.767 647 T HA 0.491 4.841 4.350 0.000 0.000 0.288 647 T C -0.535 174.123 174.700 -0.069 0.000 0.963 647 T CA -0.273 61.800 62.100 -0.044 0.000 1.019 647 T CB 0.713 69.581 68.868 0.001 0.000 0.923 647 T HN 0.551 nan 8.240 nan 0.000 0.468 648 Q N 1.934 121.604 119.800 -0.218 0.000 2.282 648 Q HA 0.571 4.911 4.340 0.000 0.000 0.260 648 Q C -0.792 175.149 176.000 -0.098 0.000 0.964 648 Q CA -0.619 55.077 55.803 -0.178 0.000 0.880 648 Q CB 2.100 30.483 28.738 -0.592 0.000 1.286 648 Q HN 0.545 nan 8.270 nan 0.000 0.445 649 S N 2.244 118.002 115.700 0.098 0.000 2.659 649 S HA 0.511 4.981 4.470 0.000 0.000 0.312 649 S C -0.302 174.398 174.600 0.165 0.000 1.114 649 S CA -0.588 57.691 58.200 0.131 0.000 1.063 649 S CB 0.586 63.852 63.200 0.111 0.000 0.996 649 S HN 0.379 nan 8.310 nan 0.000 0.478 650 I N 3.188 123.889 120.570 0.218 0.000 2.297 650 I HA 0.266 4.437 4.170 0.000 0.000 0.291 650 I C 0.392 176.614 176.117 0.177 0.000 1.033 650 I CA -0.268 61.150 61.300 0.197 0.000 1.253 650 I CB 0.209 38.365 38.000 0.261 0.000 1.396 650 I HN 0.631 nan 8.210 nan 0.000 0.476 651 H N 5.506 124.615 119.070 0.066 0.000 2.629 651 H HA 0.455 5.011 4.556 0.000 0.000 0.357 651 H C -0.553 174.776 175.328 0.002 0.000 1.121 651 H CA 0.054 56.089 56.048 -0.022 0.000 1.406 651 H CB 0.490 30.227 29.762 -0.042 0.000 1.456 651 H HN 0.737 nan 8.280 nan 0.000 0.579 652 H N 1.579 120.498 119.070 -0.251 0.000 2.851 652 H HA 0.593 5.149 4.556 0.000 0.000 0.372 652 H C 0.174 175.402 175.328 -0.167 0.000 1.158 652 H CA -0.715 55.245 56.048 -0.147 0.000 1.159 652 H CB 1.182 30.851 29.762 -0.155 0.000 1.757 652 H HN 1.004 nan 8.280 nan 0.000 0.546 653 G N 0.170 108.977 108.800 0.011 0.000 2.829 653 G HA2 0.306 4.266 3.960 0.000 0.000 0.628 653 G HA3 0.306 4.266 3.960 0.000 0.000 0.628 653 G C 0.532 175.442 174.900 0.016 0.000 1.412 653 G CA 0.440 45.516 45.100 -0.039 0.000 0.864 653 G HN 2.213 nan 8.290 nan 0.000 0.544 654 G N -0.406 108.443 108.800 0.082 0.000 2.566 654 G HA2 -0.194 3.766 3.960 0.000 0.000 0.280 654 G HA3 -0.194 3.766 3.960 0.000 0.000 0.280 654 G C 0.936 175.847 174.900 0.019 0.000 1.225 654 G CA 1.139 46.268 45.100 0.048 0.000 0.966 654 G HN 1.599 nan 8.290 nan 0.000 0.560 655 K N 1.002 121.322 120.400 -0.134 0.000 2.459 655 K HA 0.140 4.460 4.320 0.000 0.000 0.193 655 K C 1.028 177.300 176.600 -0.547 0.000 1.030 655 K CA 1.121 57.269 56.287 -0.232 0.000 1.026 655 K CB 0.245 32.619 32.500 -0.211 0.000 0.809 655 K HN 0.537 nan 8.250 nan 0.000 0.504 656 E N 0.804 120.587 120.200 -0.695 0.000 3.388 656 E HA 0.181 4.531 4.350 0.000 0.000 0.214 656 E C -1.112 175.004 176.600 -0.806 0.000 1.040 656 E CA -0.365 55.159 56.400 -1.460 0.000 1.327 656 E CB 1.222 30.239 29.700 -1.139 0.000 1.243 656 E HN 0.141 nan 8.360 nan 0.000 0.444 657 A N 1.418 123.963 122.820 -0.459 0.000 2.544 657 A HA 0.163 4.483 4.320 0.000 0.000 0.301 657 A C 0.494 178.185 177.584 0.178 0.000 1.368 657 A CA -0.150 51.830 52.037 -0.095 0.000 1.045 657 A CB -0.258 18.537 19.000 -0.343 0.000 1.129 657 A HN 0.093 nan 8.150 nan 0.000 0.540 658 T N 2.566 117.273 114.554 0.256 0.000 2.928 658 T HA 0.403 4.753 4.350 0.000 0.000 0.305 658 T C 0.671 175.410 174.700 0.065 0.000 1.035 658 T CA 1.032 63.276 62.100 0.240 0.000 1.145 658 T CB 0.171 69.111 68.868 0.120 0.000 0.963 658 T HN 1.241 nan 8.240 nan 0.000 0.545 659 S N 2.040 117.721 115.700 -0.031 0.000 2.611 659 S HA 0.621 5.091 4.470 0.000 0.000 0.268 659 S C -1.574 172.902 174.600 -0.208 0.000 1.156 659 S CA -1.117 56.969 58.200 -0.190 0.000 0.817 659 S CB 1.156 64.124 63.200 -0.387 0.000 1.122 659 S HN 0.421 nan 8.310 nan 0.000 0.466 660 I N 2.043 122.469 120.570 -0.240 0.000 2.339 660 I HA 0.329 4.499 4.170 0.000 0.000 0.290 660 I C -0.485 175.516 176.117 -0.193 0.000 0.994 660 I CA -0.719 60.458 61.300 -0.205 0.000 1.191 660 I CB 1.190 39.092 38.000 -0.162 0.000 1.343 660 I HN 0.663 nan 8.210 nan 0.000 0.458 661 L N 7.093 128.214 121.223 -0.169 0.000 2.433 661 L HA 0.298 4.638 4.340 0.000 0.000 0.284 661 L C 0.038 176.862 176.870 -0.076 0.000 1.120 661 L CA -0.133 54.636 54.840 -0.119 0.000 0.879 661 L CB -0.001 42.003 42.059 -0.091 0.000 1.232 661 L HN 0.340 nan 8.230 nan 0.000 0.454 662 L N 6.281 127.485 121.223 -0.031 0.000 2.334 662 L HA 0.372 4.712 4.340 0.000 0.000 0.277 662 L C -1.788 175.093 176.870 0.018 0.000 1.075 662 L CA -1.745 53.108 54.840 0.022 0.000 0.804 662 L CB 1.468 43.587 42.059 0.099 0.000 1.174 662 L HN 0.358 nan 8.230 nan 0.000 0.438 663 P HA 0.091 nan 4.420 nan 0.000 0.231 663 P C -0.364 176.937 177.300 0.001 0.000 1.811 663 P CA -0.143 62.939 63.100 -0.030 0.000 1.051 663 P CB 0.112 31.769 31.700 -0.073 0.000 1.951 664 V N 3.402 123.323 119.914 0.012 0.000 2.572 664 V HA 0.148 4.268 4.120 0.000 0.000 0.291 664 V C 1.046 177.125 176.094 -0.026 0.000 1.039 664 V CA 0.034 62.339 62.300 0.008 0.000 1.055 664 V CB 1.182 32.984 31.823 -0.034 0.000 0.969 664 V HN 0.317 nan 8.190 nan 0.000 0.482 665 V N 2.437 122.343 119.914 -0.014 0.000 2.962 665 V HA 0.686 4.806 4.120 0.000 0.000 0.313 665 V C -0.402 175.686 176.094 -0.010 0.000 1.099 665 V CA -1.242 61.046 62.300 -0.019 0.000 0.971 665 V CB 1.839 33.655 31.823 -0.012 0.000 1.028 665 V HN 0.735 nan 8.190 nan 0.000 0.430 666 K N 0.000 120.394 120.400 -0.009 0.000 2.780 666 K HA 0.000 4.320 4.320 0.000 0.000 0.191 666 K CA 0.000 56.283 56.287 -0.007 0.000 0.838 666 K CB 0.000 32.493 32.500 -0.012 0.000 1.064 666 K HN 0.000 nan 8.250 nan 0.000 0.543