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 2xh4_1_B DATA FIRST_RESID 1 DATA SEQUENCE AVSKVYARSV YDSRGNPTVE VELTTEKGVF RSIVPSGXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXG VLHAVKNVND VIAPAFVKAN IDVKDQKAVD DFLISLDGTA DATA SEQUENCE NKSKLGANAI LGVSLAASRA AAAEKNVPLY KHLADLSKSK TSPYVLPVPF DATA SEQUENCE LNVLNGGSHA GGALALQEFM IAPTGAKTFA EALRIGSEVY HNLKSLTKKR DATA SEQUENCE YGASAGNVGD EGGVAPNIQT AEEALDLIVD AIKAAGHDGK IKIGLDCASS DATA SEQUENCE EFFKDGKYDL DFKNXNSDKS KWLTGPQLAD LYHSLMKRYP IVSIEDPFAE DATA SEQUENCE DDWEAWSHFF KTAGIQIVAD ALTVTNPKRI ATAIEKKAAD ALLLKVNQIG DATA SEQUENCE TLSESIKAAQ DSFAAGWGVM VSHRSGETED TFIADLVVGL RTGQIKTGAP DATA SEQUENCE ARSERLAKLN QLLRIEEELG DNAVFAGENF HHGDKLLH 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.612 177.584 0.047 0.000 1.274 1 A CA 0.000 52.044 52.037 0.012 0.000 0.836 1 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 2 V N 2.630 122.587 119.914 0.071 0.000 2.427 2 V HA 0.350 4.471 4.120 0.001 0.000 0.268 2 V C 1.484 177.639 176.094 0.103 0.000 1.046 2 V CA 0.913 63.290 62.300 0.129 0.000 0.970 2 V CB 0.732 32.709 31.823 0.257 0.000 1.001 2 V HN 1.320 nan 8.190 nan 0.000 0.476 3 S N 3.364 119.117 115.700 0.087 0.000 2.503 3 S HA 0.234 4.704 4.470 0.001 0.000 0.215 3 S C 0.467 175.108 174.600 0.069 0.000 1.003 3 S CA -0.083 58.155 58.200 0.064 0.000 0.910 3 S CB 0.265 63.493 63.200 0.045 0.000 0.790 3 S HN 0.665 nan 8.310 nan 0.000 0.514 4 K N 0.277 120.726 120.400 0.082 0.000 2.557 4 K HA 0.583 4.903 4.320 0.001 0.000 0.261 4 K C -2.274 174.375 176.600 0.083 0.000 0.932 4 K CA -0.581 55.753 56.287 0.077 0.000 0.829 4 K CB 2.406 34.935 32.500 0.050 0.000 1.358 4 K HN 0.047 nan 8.250 nan 0.000 0.430 5 V N 3.842 123.808 119.914 0.088 0.000 2.638 5 V HA 0.531 4.651 4.120 0.001 0.000 0.306 5 V C -1.564 174.613 176.094 0.138 0.000 1.052 5 V CA -0.781 61.551 62.300 0.053 0.000 0.885 5 V CB 1.607 33.407 31.823 -0.038 0.000 0.999 5 V HN 0.777 nan 8.190 nan 0.000 0.424 6 Y N 3.267 123.548 120.300 -0.031 0.000 2.482 6 Y HA 0.778 5.329 4.550 0.001 0.000 0.334 6 Y C -0.506 175.377 175.900 -0.028 0.000 1.091 6 Y CA -0.482 57.606 58.100 -0.020 0.000 1.027 6 Y CB 1.836 40.289 38.460 -0.012 0.000 1.306 6 Y HN 0.830 nan 8.280 nan 0.000 0.446 7 A N 6.225 128.608 122.820 -0.727 0.000 2.355 7 A HA 0.971 5.291 4.320 0.001 0.000 0.324 7 A C -1.161 175.969 177.584 -0.756 0.000 1.117 7 A CA -0.886 50.822 52.037 -0.547 0.000 0.785 7 A CB 1.322 20.135 19.000 -0.312 0.000 1.254 7 A HN 0.889 nan 8.150 nan 0.000 0.453 8 R N 0.136 120.410 120.500 -0.378 0.000 2.817 8 R HA 0.758 5.098 4.340 0.001 0.000 0.268 8 R C -1.032 175.176 176.300 -0.153 0.000 1.027 8 R CA -0.620 55.340 56.100 -0.232 0.000 0.928 8 R CB 1.332 31.599 30.300 -0.055 0.000 1.228 8 R HN 0.411 nan 8.270 nan 0.000 0.469 9 S N 0.626 116.246 115.700 -0.133 0.000 2.513 9 S HA 0.456 4.926 4.470 0.001 0.000 0.276 9 S C 0.009 174.507 174.600 -0.170 0.000 1.254 9 S CA -0.619 57.478 58.200 -0.171 0.000 1.053 9 S CB 1.235 64.315 63.200 -0.200 0.000 0.958 9 S HN 0.473 nan 8.310 nan 0.000 0.491 10 V N 1.584 121.376 119.914 -0.204 0.000 3.155 10 V HA 0.709 4.829 4.120 0.001 0.000 0.313 10 V C -1.698 174.211 176.094 -0.307 0.000 1.162 10 V CA -1.087 61.124 62.300 -0.150 0.000 1.048 10 V CB 0.937 32.749 31.823 -0.018 0.000 1.092 10 V HN 0.722 nan 8.190 nan 0.000 0.447 11 Y N 1.300 121.598 120.300 -0.003 0.000 2.342 11 Y HA 0.589 5.139 4.550 0.002 0.000 0.334 11 Y C 0.432 176.331 175.900 -0.002 0.000 1.067 11 Y CA -0.295 57.802 58.100 -0.004 0.000 1.128 11 Y CB 1.240 39.699 38.460 -0.002 0.000 1.200 11 Y HN 0.976 nan 8.280 nan 0.000 0.464 12 D N -0.578 119.885 120.400 0.105 0.000 2.478 12 D HA 0.039 4.680 4.640 0.001 0.000 0.269 12 D C 1.063 177.409 176.300 0.077 0.000 1.232 12 D CA -0.211 53.828 54.000 0.065 0.000 1.059 12 D CB 0.482 41.295 40.800 0.022 0.000 1.104 12 D HN 0.431 nan 8.370 nan 0.000 0.566 13 S N -1.228 114.498 115.700 0.042 0.000 2.515 13 S HA -0.072 4.398 4.470 0.001 0.000 0.231 13 S C 1.432 176.048 174.600 0.026 0.000 0.987 13 S CA 0.248 58.468 58.200 0.032 0.000 0.936 13 S CB -0.341 62.869 63.200 0.016 0.000 0.766 13 S HN 0.488 nan 8.310 nan 0.000 0.528 14 R N 0.536 121.053 120.500 0.029 0.000 2.334 14 R HA 0.274 4.614 4.340 0.001 0.000 0.216 14 R C 1.201 177.533 176.300 0.054 0.000 0.905 14 R CA 0.385 56.503 56.100 0.030 0.000 1.064 14 R CB 0.075 30.386 30.300 0.018 0.000 1.046 14 R HN 0.565 nan 8.270 nan 0.000 0.508 15 G N 1.573 110.428 108.800 0.092 0.000 2.137 15 G HA2 -0.222 3.738 3.960 0.001 0.000 0.237 15 G HA3 -0.222 3.738 3.960 0.001 0.000 0.237 15 G C -0.492 174.562 174.900 0.256 0.000 1.002 15 G CA -0.287 44.900 45.100 0.145 0.000 0.702 15 G HN 0.263 nan 8.290 nan 0.000 0.515 16 N N 0.948 119.756 118.700 0.180 0.000 2.399 16 N HA 0.513 5.254 4.740 0.001 0.000 0.295 16 N C -2.773 172.729 175.510 -0.014 0.000 1.048 16 N CA -1.500 51.613 53.050 0.105 0.000 0.886 16 N CB 1.787 40.297 38.487 0.039 0.000 1.185 16 N HN 0.002 nan 8.380 nan 0.000 0.487 17 P HA 0.081 nan 4.420 nan 0.000 0.267 17 P C -0.078 177.104 177.300 -0.197 0.000 1.200 17 P CA 0.280 63.156 63.100 -0.373 0.000 0.772 17 P CB 0.691 32.174 31.700 -0.362 0.000 0.855 18 T N 0.875 115.311 114.554 -0.196 0.000 2.787 18 T HA 0.412 4.762 4.350 0.001 0.000 0.297 18 T C -1.215 173.409 174.700 -0.126 0.000 1.221 18 T CA -0.633 61.394 62.100 -0.123 0.000 1.006 18 T CB 0.785 69.608 68.868 -0.075 0.000 1.328 18 T HN -0.043 nan 8.240 nan 0.000 0.509 19 V N 2.755 122.610 119.914 -0.099 0.000 2.461 19 V HA 0.482 4.603 4.120 0.001 0.000 0.275 19 V C 0.297 176.341 176.094 -0.083 0.000 1.047 19 V CA -0.384 61.855 62.300 -0.101 0.000 0.955 19 V CB 1.074 32.842 31.823 -0.092 0.000 0.988 19 V HN 0.839 nan 8.190 nan 0.000 0.471 20 E N 3.810 123.959 120.200 -0.086 0.000 2.183 20 E HA 0.654 5.004 4.350 0.001 0.000 0.271 20 E C -1.681 174.874 176.600 -0.074 0.000 0.919 20 E CA -0.541 55.824 56.400 -0.058 0.000 0.781 20 E CB 2.110 31.792 29.700 -0.030 0.000 1.140 20 E HN 0.465 nan 8.360 nan 0.000 0.402 21 V N 3.923 123.805 119.914 -0.053 0.000 2.540 21 V HA 0.332 4.453 4.120 0.001 0.000 0.302 21 V C -0.706 175.388 176.094 0.001 0.000 1.035 21 V CA -0.686 61.581 62.300 -0.055 0.000 0.873 21 V CB 1.864 33.637 31.823 -0.084 0.000 0.992 21 V HN 0.751 nan 8.190 nan 0.000 0.428 22 E N 3.602 123.829 120.200 0.045 0.000 2.176 22 E HA 0.541 4.891 4.350 0.001 0.000 0.267 22 E C -1.550 175.094 176.600 0.074 0.000 0.893 22 E CA -0.773 55.674 56.400 0.078 0.000 0.761 22 E CB 2.165 31.933 29.700 0.113 0.000 1.133 22 E HN 0.341 nan 8.360 nan 0.000 0.409 23 L N 2.661 123.939 121.223 0.090 0.000 2.296 23 L HA 0.324 4.665 4.340 0.001 0.000 0.286 23 L C -0.212 176.764 176.870 0.178 0.000 1.023 23 L CA -0.123 54.779 54.840 0.103 0.000 0.812 23 L CB 1.826 43.929 42.059 0.075 0.000 1.223 23 L HN 0.446 nan 8.230 nan 0.000 0.421 24 T N 2.070 116.700 114.554 0.127 0.000 2.767 24 T HA 0.670 5.021 4.350 0.001 0.000 0.284 24 T C 0.269 175.060 174.700 0.152 0.000 0.973 24 T CA -0.554 61.613 62.100 0.112 0.000 0.996 24 T CB 1.129 70.023 68.868 0.044 0.000 0.927 24 T HN 0.748 nan 8.240 nan 0.000 0.456 25 T N -0.918 113.761 114.554 0.208 0.000 2.693 25 T HA 0.391 4.741 4.350 0.001 0.000 0.278 25 T C 1.294 176.074 174.700 0.133 0.000 0.994 25 T CA -0.829 61.373 62.100 0.171 0.000 1.033 25 T CB 1.339 70.324 68.868 0.196 0.000 1.342 25 T HN 0.460 nan 8.240 nan 0.000 0.538 26 E N 0.436 120.696 120.200 0.099 0.000 2.265 26 E HA -0.137 4.214 4.350 0.001 0.000 0.196 26 E C 1.002 177.654 176.600 0.086 0.000 0.996 26 E CA 0.937 57.379 56.400 0.069 0.000 0.832 26 E CB -0.180 29.548 29.700 0.047 0.000 0.756 26 E HN 0.501 nan 8.360 nan 0.000 0.491 27 K N 0.781 121.279 120.400 0.164 0.000 2.404 27 K HA 0.245 4.566 4.320 0.001 0.000 0.194 27 K C 0.958 177.644 176.600 0.144 0.000 1.023 27 K CA 0.689 57.097 56.287 0.202 0.000 1.094 27 K CB 1.063 33.742 32.500 0.299 0.000 0.841 27 K HN 0.322 nan 8.250 nan 0.000 0.523 28 G N -0.034 108.782 108.800 0.026 0.000 2.298 28 G HA2 -0.117 3.844 3.960 0.001 0.000 0.309 28 G HA3 -0.117 3.844 3.960 0.001 0.000 0.309 28 G C -1.538 173.075 174.900 -0.478 0.000 1.279 28 G CA -0.790 44.155 45.100 -0.259 0.000 1.042 28 G HN -0.130 nan 8.290 nan 0.000 0.480 29 V N 0.652 120.192 119.914 -0.623 0.000 2.398 29 V HA 0.697 4.818 4.120 0.001 0.000 0.286 29 V C -0.724 174.935 176.094 -0.726 0.000 1.026 29 V CA -0.327 61.686 62.300 -0.479 0.000 0.868 29 V CB 0.910 32.600 31.823 -0.221 0.000 0.982 29 V HN 0.568 nan 8.190 nan 0.000 0.443 30 F N 4.128 124.086 119.950 0.014 0.000 2.449 30 F HA 0.647 5.175 4.527 0.001 0.000 0.342 30 F C 0.254 176.063 175.800 0.016 0.000 1.127 30 F CA -0.588 57.423 58.000 0.019 0.000 0.975 30 F CB 1.483 40.493 39.000 0.017 0.000 1.146 30 F HN 0.343 nan 8.300 nan 0.000 0.444 31 R N 1.803 122.394 120.500 0.152 0.000 2.562 31 R HA 0.770 5.111 4.340 0.001 0.000 0.298 31 R C -1.256 175.099 176.300 0.091 0.000 0.961 31 R CA -0.344 55.810 56.100 0.090 0.000 0.881 31 R CB 1.636 31.968 30.300 0.054 0.000 1.159 31 R HN 0.695 nan 8.270 nan 0.000 0.450 32 S N 4.494 120.220 115.700 0.043 0.000 2.557 32 S HA 0.537 5.008 4.470 0.001 0.000 0.291 32 S C -0.693 173.902 174.600 -0.010 0.000 1.116 32 S CA -0.652 57.555 58.200 0.011 0.000 0.992 32 S CB 1.268 64.432 63.200 -0.059 0.000 1.028 32 S HN 0.500 nan 8.310 nan 0.000 0.484 33 I N 2.413 122.984 120.570 0.002 0.000 2.433 33 I HA 0.441 4.612 4.170 0.001 0.000 0.292 33 I C -0.568 175.538 176.117 -0.019 0.000 1.001 33 I CA -1.071 60.225 61.300 -0.008 0.000 1.119 33 I CB 1.731 39.739 38.000 0.014 0.000 1.289 33 I HN 0.216 nan 8.210 nan 0.000 0.438 34 V N 7.768 127.660 119.914 -0.037 0.000 2.498 34 V HA 0.284 4.405 4.120 0.001 0.000 0.279 34 V C -1.785 174.296 176.094 -0.023 0.000 1.048 34 V CA -1.274 61.002 62.300 -0.040 0.000 0.967 34 V CB 0.971 32.761 31.823 -0.054 0.000 0.988 34 V HN 0.624 nan 8.190 nan 0.000 0.473 35 P HA 0.329 nan 4.420 nan 0.000 0.278 35 P C -0.722 176.568 177.300 -0.017 0.000 1.266 35 P CA -0.390 62.707 63.100 -0.005 0.000 0.807 35 P CB 1.543 33.250 31.700 0.012 0.000 1.094 36 S N -1.008 114.680 115.700 -0.021 0.000 2.546 36 S HA 0.690 5.161 4.470 0.001 0.000 0.274 36 S C -0.192 174.393 174.600 -0.026 0.000 1.121 36 S CA -0.601 57.587 58.200 -0.022 0.000 0.887 36 S CB 0.876 64.064 63.200 -0.021 0.000 1.094 36 S HN 0.626 nan 8.310 nan 0.000 0.474 61 V N 2.280 122.129 119.914 -0.108 0.000 2.358 61 V HA -0.099 4.022 4.120 0.001 0.000 0.246 61 V C 3.517 179.525 176.094 -0.144 0.000 1.047 61 V CA 2.899 65.128 62.300 -0.117 0.000 1.035 61 V CB -0.903 30.842 31.823 -0.130 0.000 0.658 61 V HN 1.057 nan 8.190 nan 0.000 0.452 62 L N -0.779 120.312 121.223 -0.220 0.000 2.046 62 L HA -0.223 4.117 4.340 0.001 0.000 0.208 62 L C 2.602 179.387 176.870 -0.141 0.000 1.077 62 L CA 2.738 57.450 54.840 -0.213 0.000 0.747 62 L CB -1.930 39.965 42.059 -0.273 0.000 0.896 62 L HN 0.497 nan 8.230 nan 0.000 0.432 63 H N -0.067 118.976 119.070 -0.044 0.000 2.353 63 H HA 0.034 4.591 4.556 0.001 0.000 0.300 63 H C 2.609 177.909 175.328 -0.046 0.000 1.090 63 H CA 1.385 57.410 56.048 -0.038 0.000 1.327 63 H CB -0.664 29.079 29.762 -0.031 0.000 1.383 63 H HN 0.634 nan 8.280 nan 0.000 0.508 64 A N 0.844 123.703 122.820 0.065 0.000 1.902 64 A HA -0.105 4.216 4.320 0.001 0.000 0.217 64 A C 2.855 180.417 177.584 -0.037 0.000 1.181 64 A CA 1.651 53.691 52.037 0.005 0.000 0.623 64 A CB -0.872 18.115 19.000 -0.022 0.000 0.818 64 A HN 0.214 nan 8.150 nan 0.000 0.443 65 V N 0.420 120.293 119.914 -0.069 0.000 2.295 65 V HA -0.284 3.837 4.120 0.001 0.000 0.246 65 V C 2.565 178.604 176.094 -0.092 0.000 1.049 65 V CA 2.427 64.659 62.300 -0.114 0.000 1.024 65 V CB -0.673 31.066 31.823 -0.141 0.000 0.648 65 V HN 0.722 nan 8.190 nan 0.000 0.447 66 K N 0.205 120.579 120.400 -0.043 0.000 2.097 66 K HA -0.212 4.108 4.320 0.001 0.000 0.206 66 K C 1.965 178.563 176.600 -0.004 0.000 1.049 66 K CA 1.743 58.023 56.287 -0.013 0.000 0.933 66 K CB -0.178 32.337 32.500 0.026 0.000 0.717 66 K HN 0.444 nan 8.250 nan 0.000 0.442 67 N N 0.564 119.265 118.700 0.001 0.000 2.166 67 N HA -0.132 4.609 4.740 0.001 0.000 0.186 67 N C 1.789 177.295 175.510 -0.007 0.000 1.019 67 N CA 1.098 54.147 53.050 -0.000 0.000 0.856 67 N CB -0.278 38.209 38.487 0.000 0.000 0.993 67 N HN 0.026 nan 8.380 nan 0.000 0.426 68 V N 1.881 121.775 119.914 -0.032 0.000 2.270 68 V HA -0.153 3.968 4.120 0.001 0.000 0.245 68 V C 1.866 177.946 176.094 -0.024 0.000 1.043 68 V CA 1.388 63.664 62.300 -0.041 0.000 1.014 68 V CB -0.426 31.342 31.823 -0.092 0.000 0.645 68 V HN 0.296 nan 8.190 nan 0.000 0.447 69 N N 0.165 118.839 118.700 -0.043 0.000 2.270 69 N HA -0.118 4.623 4.740 0.001 0.000 0.181 69 N C 1.415 176.945 175.510 0.033 0.000 1.016 69 N CA 1.387 54.433 53.050 -0.006 0.000 0.870 69 N CB -0.234 38.236 38.487 -0.028 0.000 0.979 69 N HN 0.478 nan 8.380 nan 0.000 0.431 70 D N -0.676 119.739 120.400 0.024 0.000 2.301 70 D HA 0.074 4.715 4.640 0.001 0.000 0.206 70 D C 1.766 178.090 176.300 0.041 0.000 0.979 70 D CA 0.352 54.372 54.000 0.034 0.000 0.874 70 D CB 0.599 41.413 40.800 0.024 0.000 0.968 70 D HN 0.025 nan 8.370 nan 0.000 0.510 71 V N -0.001 119.938 119.914 0.042 0.000 3.001 71 V HA 0.110 4.231 4.120 0.001 0.000 0.228 71 V C 2.253 178.403 176.094 0.093 0.000 1.204 71 V CA -0.019 62.312 62.300 0.051 0.000 1.247 71 V CB -0.007 31.831 31.823 0.026 0.000 1.093 71 V HN -0.029 nan 8.190 nan 0.000 0.504 72 I N 1.220 121.845 120.570 0.092 0.000 2.179 72 I HA -0.198 3.973 4.170 0.001 0.000 0.242 72 I C 2.733 178.973 176.117 0.206 0.000 1.088 72 I CA 1.683 63.080 61.300 0.162 0.000 1.357 72 I CB -0.539 37.519 38.000 0.097 0.000 1.051 72 I HN 0.332 nan 8.210 nan 0.000 0.409 73 A N 1.688 124.579 122.820 0.119 0.000 1.851 73 A HA -0.138 4.182 4.320 0.001 0.000 0.216 73 A C 0.200 177.882 177.584 0.163 0.000 1.195 73 A CA 2.024 54.133 52.037 0.121 0.000 0.622 73 A CB -2.102 16.949 19.000 0.084 0.000 0.831 73 A HN 0.295 nan 8.150 nan 0.000 0.444 74 P HA -0.111 nan 4.420 nan 0.000 0.216 74 P C 1.649 179.047 177.300 0.162 0.000 1.153 74 P CA 1.966 65.142 63.100 0.126 0.000 0.848 74 P CB -0.240 31.517 31.700 0.095 0.000 0.787 75 A N -0.463 122.489 122.820 0.220 0.000 1.883 75 A HA -0.203 4.118 4.320 0.001 0.000 0.217 75 A C 2.201 180.002 177.584 0.361 0.000 1.186 75 A CA 1.560 53.797 52.037 0.334 0.000 0.624 75 A CB -1.851 17.392 19.000 0.406 0.000 0.822 75 A HN 0.142 nan 8.150 nan 0.000 0.444 76 F N 0.326 120.365 119.950 0.148 0.000 2.163 76 F HA -0.098 4.430 4.527 0.001 0.000 0.297 76 F C 2.285 177.983 175.800 -0.171 0.000 1.094 76 F CA 1.788 59.676 58.000 -0.187 0.000 1.290 76 F CB -0.123 38.837 39.000 -0.065 0.000 1.017 76 F HN 0.025 nan 8.300 nan 0.000 0.483 77 V N 0.494 120.525 119.914 0.196 0.000 2.427 77 V HA -0.293 3.827 4.120 0.001 0.000 0.248 77 V C 2.253 178.348 176.094 0.001 0.000 1.051 77 V CA 2.058 64.421 62.300 0.104 0.000 1.048 77 V CB -0.670 31.228 31.823 0.124 0.000 0.666 77 V HN 0.257 nan 8.190 nan 0.000 0.456 78 K N 0.503 120.913 120.400 0.016 0.000 2.057 78 K HA -0.109 4.212 4.320 0.001 0.000 0.207 78 K C 2.241 178.803 176.600 -0.063 0.000 1.049 78 K CA 1.505 57.791 56.287 -0.001 0.000 0.931 78 K CB -0.418 32.108 32.500 0.043 0.000 0.714 78 K HN 0.470 nan 8.250 nan 0.000 0.440 79 A N 1.232 123.961 122.820 -0.152 0.000 2.067 79 A HA -0.165 4.155 4.320 0.001 0.000 0.219 79 A C 0.662 178.074 177.584 -0.287 0.000 1.158 79 A CA 0.765 52.657 52.037 -0.242 0.000 0.661 79 A CB -0.577 18.139 19.000 -0.473 0.000 0.801 79 A HN 0.620 nan 8.150 nan 0.000 0.452 80 N N -0.845 117.673 118.700 -0.303 0.000 2.714 80 N HA -0.153 4.587 4.740 0.001 0.000 0.253 80 N C -0.900 174.438 175.510 -0.286 0.000 1.024 80 N CA 0.146 53.057 53.050 -0.231 0.000 0.726 80 N CB -0.860 37.552 38.487 -0.125 0.000 0.908 80 N HN 0.499 nan 8.380 nan 0.000 0.542 81 I N 0.476 120.754 120.570 -0.487 0.000 2.638 81 I HA 0.020 4.191 4.170 0.001 0.000 0.286 81 I C 0.872 176.841 176.117 -0.246 0.000 1.088 81 I CA -0.269 60.765 61.300 -0.443 0.000 1.397 81 I CB 0.506 38.048 38.000 -0.763 0.000 1.414 81 I HN 0.156 nan 8.210 nan 0.000 0.566 82 D N 4.657 124.967 120.400 -0.150 0.000 2.338 82 D HA 0.054 4.695 4.640 0.001 0.000 0.255 82 D C 1.047 177.320 176.300 -0.045 0.000 1.237 82 D CA -0.311 53.642 54.000 -0.080 0.000 0.883 82 D CB 1.298 42.067 40.800 -0.053 0.000 1.087 82 D HN 0.374 nan 8.370 nan 0.000 0.485 83 V N 2.493 122.395 119.914 -0.021 0.000 2.720 83 V HA -0.167 3.954 4.120 0.001 0.000 0.256 83 V C 1.811 177.913 176.094 0.012 0.000 1.082 83 V CA 1.159 63.472 62.300 0.022 0.000 1.101 83 V CB -0.688 31.137 31.823 0.003 0.000 0.693 83 V HN 0.405 nan 8.190 nan 0.000 0.479 84 K N 0.543 120.935 120.400 -0.013 0.000 2.288 84 K HA -0.034 4.287 4.320 0.001 0.000 0.201 84 K C 0.853 177.519 176.600 0.110 0.000 1.048 84 K CA 1.003 57.309 56.287 0.032 0.000 0.956 84 K CB -0.126 32.372 32.500 -0.003 0.000 0.746 84 K HN 0.458 nan 8.250 nan 0.000 0.461 85 D N 1.123 121.558 120.400 0.058 0.000 2.522 85 D HA -0.008 4.633 4.640 0.001 0.000 0.218 85 D C 0.824 177.163 176.300 0.066 0.000 1.149 85 D CA 0.018 54.049 54.000 0.052 0.000 0.981 85 D CB 0.952 41.762 40.800 0.018 0.000 1.041 85 D HN -0.067 nan 8.370 nan 0.000 0.518 86 Q N 2.854 122.710 119.800 0.093 0.000 2.135 86 Q HA -0.157 4.184 4.340 0.001 0.000 0.204 86 Q C 1.588 177.633 176.000 0.076 0.000 0.981 86 Q CA 1.591 57.453 55.803 0.097 0.000 0.856 86 Q CB 0.172 28.970 28.738 0.099 0.000 0.902 86 Q HN 0.330 nan 8.270 nan 0.000 0.425 87 K N -0.818 119.615 120.400 0.055 0.000 2.063 87 K HA -0.158 4.163 4.320 0.001 0.000 0.208 87 K C 1.936 178.571 176.600 0.057 0.000 1.048 87 K CA 1.253 57.568 56.287 0.047 0.000 0.928 87 K CB -0.250 32.269 32.500 0.031 0.000 0.713 87 K HN 0.315 nan 8.250 nan 0.000 0.442 88 A N 0.584 123.434 122.820 0.051 0.000 1.929 88 A HA -0.086 4.235 4.320 0.001 0.000 0.216 88 A C 2.274 179.907 177.584 0.081 0.000 1.176 88 A CA 1.108 53.175 52.037 0.050 0.000 0.628 88 A CB -0.464 18.542 19.000 0.010 0.000 0.816 88 A HN 0.076 nan 8.150 nan 0.000 0.444 89 V N 0.767 120.732 119.914 0.085 0.000 2.287 89 V HA -0.267 3.853 4.120 0.001 0.000 0.248 89 V C 2.153 178.396 176.094 0.248 0.000 1.053 89 V CA 2.434 64.834 62.300 0.166 0.000 1.027 89 V CB -0.716 31.238 31.823 0.217 0.000 0.646 89 V HN 0.506 nan 8.190 nan 0.000 0.447 90 D N -0.469 120.031 120.400 0.166 0.000 2.149 90 D HA -0.116 4.525 4.640 0.001 0.000 0.201 90 D C 1.912 178.286 176.300 0.124 0.000 0.972 90 D CA 1.029 55.111 54.000 0.137 0.000 0.835 90 D CB -0.313 40.536 40.800 0.083 0.000 0.966 90 D HN 0.416 nan 8.370 nan 0.000 0.476 91 D N 0.233 120.701 120.400 0.114 0.000 2.104 91 D HA -0.166 4.475 4.640 0.001 0.000 0.194 91 D C 1.843 178.210 176.300 0.112 0.000 0.994 91 D CA 0.490 54.543 54.000 0.088 0.000 0.830 91 D CB -0.561 40.282 40.800 0.072 0.000 0.959 91 D HN 0.213 nan 8.370 nan 0.000 0.452 92 F N 1.272 121.233 119.950 0.019 0.000 2.095 92 F HA -0.179 4.349 4.527 0.001 0.000 0.298 92 F C 2.161 177.992 175.800 0.052 0.000 1.104 92 F CA 1.275 59.287 58.000 0.020 0.000 1.232 92 F CB -0.260 38.737 39.000 -0.006 0.000 0.987 92 F HN -0.106 nan 8.300 nan 0.000 0.475 93 L N -0.064 121.306 121.223 0.246 0.000 2.017 93 L HA -0.226 4.115 4.340 0.001 0.000 0.208 93 L C 2.469 179.330 176.870 -0.014 0.000 1.073 93 L CA 1.490 56.411 54.840 0.136 0.000 0.745 93 L CB -0.694 41.486 42.059 0.202 0.000 0.894 93 L HN 0.193 nan 8.230 nan 0.000 0.432 94 I N -1.005 119.564 120.570 -0.001 0.000 2.226 94 I HA -0.308 3.863 4.170 0.001 0.000 0.245 94 I C 2.853 178.929 176.117 -0.069 0.000 1.100 94 I CA 1.337 62.621 61.300 -0.026 0.000 1.374 94 I CB -0.308 37.687 38.000 -0.008 0.000 1.057 94 I HN 0.207 nan 8.210 nan 0.000 0.413 95 S N 0.895 116.535 115.700 -0.101 0.000 2.359 95 S HA -0.204 4.267 4.470 0.001 0.000 0.224 95 S C 2.047 176.539 174.600 -0.180 0.000 1.035 95 S CA 1.452 59.572 58.200 -0.135 0.000 1.018 95 S CB -0.340 62.764 63.200 -0.160 0.000 0.876 95 S HN 0.314 nan 8.310 nan 0.000 0.448 96 L N 1.742 122.798 121.223 -0.278 0.000 2.046 96 L HA -0.045 4.296 4.340 0.001 0.000 0.208 96 L C 2.031 178.817 176.870 -0.139 0.000 1.077 96 L CA 2.558 57.237 54.840 -0.269 0.000 0.747 96 L CB -0.875 40.950 42.059 -0.391 0.000 0.896 96 L HN 0.483 nan 8.230 nan 0.000 0.432 97 D N -1.464 118.875 120.400 -0.102 0.000 2.123 97 D HA -0.027 4.613 4.640 0.001 0.000 0.200 97 D C 1.799 178.064 176.300 -0.057 0.000 0.976 97 D CA 1.599 55.562 54.000 -0.063 0.000 0.831 97 D CB -0.020 40.753 40.800 -0.044 0.000 0.974 97 D HN 0.429 nan 8.370 nan 0.000 0.469 98 G N -0.583 108.181 108.800 -0.060 0.000 2.234 98 G HA2 -0.276 3.684 3.960 0.001 0.000 0.260 98 G HA3 -0.276 3.684 3.960 0.001 0.000 0.260 98 G C 0.503 175.379 174.900 -0.040 0.000 0.987 98 G CA 0.988 46.057 45.100 -0.052 0.000 0.625 98 G HN 0.765 nan 8.290 nan 0.000 0.532 99 T N -1.981 112.552 114.554 -0.036 0.000 2.829 99 T HA 0.793 5.144 4.350 0.001 0.000 0.282 99 T C 1.488 176.172 174.700 -0.027 0.000 0.990 99 T CA 0.390 62.472 62.100 -0.030 0.000 1.028 99 T CB 1.923 70.774 68.868 -0.028 0.000 0.951 99 T HN 1.389 nan 8.240 nan 0.000 0.460 100 A N 3.424 126.229 122.820 -0.024 0.000 1.903 100 A HA -0.202 4.119 4.320 0.001 0.000 0.219 100 A C 2.077 179.649 177.584 -0.021 0.000 1.191 100 A CA 2.058 54.081 52.037 -0.023 0.000 0.638 100 A CB -0.983 18.004 19.000 -0.021 0.000 0.823 100 A HN 0.964 nan 8.150 nan 0.000 0.451 101 N N -1.247 117.441 118.700 -0.020 0.000 2.383 101 N HA 0.004 4.745 4.740 0.001 0.000 0.192 101 N C 0.068 175.567 175.510 -0.018 0.000 1.141 101 N CA 0.720 53.759 53.050 -0.017 0.000 0.851 101 N CB -0.371 38.107 38.487 -0.015 0.000 0.976 101 N HN 0.539 nan 8.380 nan 0.000 0.465 102 K N -0.732 119.655 120.400 -0.021 0.000 3.069 102 K HA -0.185 4.136 4.320 0.001 0.000 0.267 102 K C 0.507 177.094 176.600 -0.021 0.000 1.082 102 K CA 0.836 57.110 56.287 -0.022 0.000 0.782 102 K CB -2.076 30.412 32.500 -0.019 0.000 1.230 102 K HN 0.553 nan 8.250 nan 0.000 0.488 103 S N -0.375 115.312 115.700 -0.022 0.000 2.496 103 S HA -0.060 4.410 4.470 0.001 0.000 0.224 103 S C 1.674 176.257 174.600 -0.027 0.000 0.996 103 S CA 0.803 58.990 58.200 -0.021 0.000 0.927 103 S CB 0.240 63.428 63.200 -0.020 0.000 0.774 103 S HN 0.333 nan 8.310 nan 0.000 0.524 104 K N 1.631 122.013 120.400 -0.030 0.000 2.116 104 K HA 0.271 4.592 4.320 0.001 0.000 0.203 104 K C 1.714 178.293 176.600 -0.034 0.000 1.052 104 K CA 1.200 57.465 56.287 -0.036 0.000 0.952 104 K CB -0.425 32.053 32.500 -0.037 0.000 0.729 104 K HN 0.473 nan 8.250 nan 0.000 0.446 105 L N -1.575 119.631 121.223 -0.027 0.000 2.500 105 L HA 0.331 4.672 4.340 0.001 0.000 0.219 105 L C 0.295 177.156 176.870 -0.014 0.000 1.057 105 L CA 0.179 55.006 54.840 -0.021 0.000 0.854 105 L CB 0.184 42.231 42.059 -0.020 0.000 1.078 105 L HN 0.384 nan 8.230 nan 0.000 0.480 106 G N -0.463 108.328 108.800 -0.016 0.000 3.055 106 G HA2 0.013 3.973 3.960 0.001 0.000 0.685 106 G HA3 0.013 3.973 3.960 0.001 0.000 0.685 106 G C 0.417 175.306 174.900 -0.018 0.000 1.212 106 G CA -0.322 44.770 45.100 -0.012 0.000 0.822 106 G HN 0.126 nan 8.290 nan 0.000 0.610 107 A N 1.964 124.773 122.820 -0.019 0.000 1.972 107 A HA -0.078 4.243 4.320 0.001 0.000 0.219 107 A C 2.304 179.869 177.584 -0.031 0.000 1.169 107 A CA 2.403 54.426 52.037 -0.023 0.000 0.635 107 A CB -0.437 18.550 19.000 -0.021 0.000 0.810 107 A HN 1.513 nan 8.150 nan 0.000 0.446 108 N N 1.082 119.763 118.700 -0.032 0.000 2.171 108 N HA -0.002 4.738 4.740 0.001 0.000 0.184 108 N C 1.625 177.105 175.510 -0.051 0.000 1.021 108 N CA 1.776 54.800 53.050 -0.043 0.000 0.854 108 N CB -0.976 37.486 38.487 -0.042 0.000 0.994 108 N HN 0.354 nan 8.380 nan 0.000 0.426 109 A N 1.173 123.968 122.820 -0.043 0.000 1.877 109 A HA 0.020 4.340 4.320 0.001 0.000 0.216 109 A C 2.372 179.928 177.584 -0.047 0.000 1.186 109 A CA 1.130 53.139 52.037 -0.047 0.000 0.620 109 A CB -0.847 18.134 19.000 -0.033 0.000 0.822 109 A HN 0.268 nan 8.150 nan 0.000 0.443 110 I N -0.962 119.588 120.570 -0.034 0.000 2.202 110 I HA -0.217 3.954 4.170 0.001 0.000 0.242 110 I C 2.405 178.494 176.117 -0.046 0.000 1.091 110 I CA 1.150 62.436 61.300 -0.024 0.000 1.368 110 I CB -0.245 37.749 38.000 -0.010 0.000 1.058 110 I HN 0.387 nan 8.210 nan 0.000 0.410 111 L N 1.023 122.210 121.223 -0.060 0.000 2.012 111 L HA -0.118 4.223 4.340 0.001 0.000 0.210 111 L C 2.382 179.179 176.870 -0.123 0.000 1.073 111 L CA 2.271 57.058 54.840 -0.090 0.000 0.748 111 L CB -1.270 40.737 42.059 -0.087 0.000 0.891 111 L HN 0.234 nan 8.230 nan 0.000 0.431 112 G N -1.091 107.644 108.800 -0.108 0.000 2.476 112 G HA2 -0.246 3.715 3.960 0.001 0.000 0.218 112 G HA3 -0.246 3.715 3.960 0.001 0.000 0.218 112 G C 1.502 176.322 174.900 -0.132 0.000 1.164 112 G CA 1.282 46.312 45.100 -0.117 0.000 0.768 112 G HN 0.360 nan 8.290 nan 0.000 0.560 113 V N 0.503 120.334 119.914 -0.139 0.000 2.453 113 V HA -0.138 3.983 4.120 0.001 0.000 0.247 113 V C 2.966 178.959 176.094 -0.168 0.000 1.048 113 V CA 2.027 64.204 62.300 -0.205 0.000 1.049 113 V CB -0.290 31.379 31.823 -0.257 0.000 0.672 113 V HN 0.476 nan 8.190 nan 0.000 0.457 114 S N -0.108 115.529 115.700 -0.104 0.000 2.359 114 S HA -0.165 4.305 4.470 0.001 0.000 0.224 114 S C 1.937 176.474 174.600 -0.105 0.000 1.035 114 S CA 1.815 59.978 58.200 -0.062 0.000 1.018 114 S CB -0.289 62.879 63.200 -0.052 0.000 0.876 114 S HN 0.506 nan 8.310 nan 0.000 0.448 115 L N 0.846 121.939 121.223 -0.218 0.000 2.056 115 L HA -0.011 4.330 4.340 0.001 0.000 0.207 115 L C 2.975 179.762 176.870 -0.139 0.000 1.078 115 L CA 1.206 55.825 54.840 -0.368 0.000 0.749 115 L CB -0.845 40.824 42.059 -0.651 0.000 0.901 115 L HN 0.410 nan 8.230 nan 0.000 0.433 116 A N 0.230 122.993 122.820 -0.094 0.000 1.972 116 A HA -0.146 4.175 4.320 0.001 0.000 0.219 116 A C 2.540 180.115 177.584 -0.016 0.000 1.169 116 A CA 1.629 53.664 52.037 -0.002 0.000 0.635 116 A CB -0.564 18.431 19.000 -0.008 0.000 0.810 116 A HN 0.406 nan 8.150 nan 0.000 0.446 117 A N 0.444 123.237 122.820 -0.046 0.000 1.902 117 A HA -0.121 4.200 4.320 0.001 0.000 0.217 117 A C 2.533 180.108 177.584 -0.015 0.000 1.181 117 A CA 2.394 54.421 52.037 -0.017 0.000 0.623 117 A CB -1.005 18.030 19.000 0.059 0.000 0.818 117 A HN 1.041 nan 8.150 nan 0.000 0.443 118 S N -0.092 115.648 115.700 0.066 0.000 2.402 118 S HA -0.177 4.294 4.470 0.001 0.000 0.229 118 S C 1.999 176.641 174.600 0.071 0.000 1.021 118 S CA 1.128 59.434 58.200 0.176 0.000 0.974 118 S CB -0.485 62.921 63.200 0.342 0.000 0.800 118 S HN 0.624 nan 8.310 nan 0.000 0.484 119 R N 1.491 122.013 120.500 0.037 0.000 2.081 119 R HA 0.087 4.428 4.340 0.001 0.000 0.235 119 R C 2.800 178.759 176.300 -0.569 0.000 1.131 119 R CA 1.289 57.351 56.100 -0.062 0.000 0.960 119 R CB -0.876 29.509 30.300 0.141 0.000 0.856 119 R HN 0.580 nan 8.270 nan 0.000 0.436 120 A N 1.460 123.785 122.820 -0.824 0.000 1.933 120 A HA -0.095 4.225 4.320 0.001 0.000 0.218 120 A C 2.392 179.559 177.584 -0.695 0.000 1.175 120 A CA 1.653 52.903 52.037 -1.311 0.000 0.628 120 A CB -0.524 18.080 19.000 -0.660 0.000 0.814 120 A HN 0.395 nan 8.150 nan 0.000 0.444 121 A N -0.113 122.426 122.820 -0.469 0.000 1.898 121 A HA 0.186 4.507 4.320 0.001 0.000 0.216 121 A C 2.509 179.752 177.584 -0.568 0.000 1.181 121 A CA 1.997 53.749 52.037 -0.476 0.000 0.620 121 A CB -1.022 17.677 19.000 -0.501 0.000 0.819 121 A HN 1.046 nan 8.150 nan 0.000 0.442 122 A N -0.127 122.372 122.820 -0.536 0.000 1.933 122 A HA 0.151 4.471 4.320 0.001 0.000 0.218 122 A C 2.484 179.947 177.584 -0.201 0.000 1.175 122 A CA 2.094 53.940 52.037 -0.318 0.000 0.628 122 A CB -0.961 17.952 19.000 -0.145 0.000 0.814 122 A HN 1.043 nan 8.150 nan 0.000 0.444 123 A N -0.525 122.166 122.820 -0.216 0.000 1.902 123 A HA -0.175 4.146 4.320 0.001 0.000 0.217 123 A C 2.033 179.579 177.584 -0.063 0.000 1.181 123 A CA 1.702 53.700 52.037 -0.064 0.000 0.623 123 A CB -0.517 18.539 19.000 0.093 0.000 0.818 123 A HN 0.648 nan 8.150 nan 0.000 0.443 124 E N -0.062 120.057 120.200 -0.135 0.000 2.153 124 E HA -0.185 4.165 4.350 0.001 0.000 0.194 124 E C 1.514 178.067 176.600 -0.078 0.000 0.988 124 E CA 1.271 57.617 56.400 -0.091 0.000 0.811 124 E CB -0.053 29.575 29.700 -0.120 0.000 0.746 124 E HN 0.616 nan 8.360 nan 0.000 0.466 125 K N 0.074 120.407 120.400 -0.111 0.000 2.426 125 K HA 0.001 4.322 4.320 0.001 0.000 0.193 125 K C 0.499 177.066 176.600 -0.055 0.000 1.028 125 K CA 0.453 56.692 56.287 -0.080 0.000 1.047 125 K CB 0.143 32.584 32.500 -0.097 0.000 0.821 125 K HN 0.061 nan 8.250 nan 0.000 0.513 126 N N 0.289 118.958 118.700 -0.051 0.000 2.747 126 N HA -0.158 4.583 4.740 0.001 0.000 0.249 126 N C -0.978 174.507 175.510 -0.042 0.000 1.107 126 N CA 0.859 53.891 53.050 -0.030 0.000 0.707 126 N CB -1.299 37.179 38.487 -0.016 0.000 1.054 126 N HN 0.112 nan 8.380 nan 0.000 0.555 127 V N -3.020 116.853 119.914 -0.068 0.000 2.864 127 V HA 0.885 5.006 4.120 0.001 0.000 0.314 127 V C -2.147 173.859 176.094 -0.147 0.000 1.073 127 V CA -1.813 60.425 62.300 -0.102 0.000 0.956 127 V CB 1.955 33.719 31.823 -0.098 0.000 1.023 127 V HN 0.048 nan 8.190 nan 0.000 0.435 128 P HA 0.107 nan 4.420 nan 0.000 0.270 128 P C 0.720 177.806 177.300 -0.357 0.000 1.223 128 P CA -0.261 62.665 63.100 -0.290 0.000 0.785 128 P CB 1.065 32.527 31.700 -0.397 0.000 0.923 129 L N 3.157 124.272 121.223 -0.181 0.000 2.043 129 L HA -0.235 4.106 4.340 0.001 0.000 0.212 129 L C 2.593 179.395 176.870 -0.113 0.000 1.075 129 L CA 1.970 56.757 54.840 -0.087 0.000 0.752 129 L CB -1.930 40.113 42.059 -0.028 0.000 0.891 129 L HN 0.482 nan 8.230 nan 0.000 0.432 130 Y N -1.312 118.936 120.300 -0.086 0.000 2.274 130 Y HA -0.162 4.389 4.550 0.001 0.000 0.290 130 Y C 2.419 178.319 175.900 -0.001 0.000 1.145 130 Y CA 1.552 59.599 58.100 -0.089 0.000 1.203 130 Y CB -1.061 37.309 38.460 -0.149 0.000 0.984 130 Y HN 0.091 nan 8.280 nan 0.000 0.533 131 K N 0.409 120.467 120.400 -0.570 0.000 2.025 131 K HA -0.261 4.059 4.320 0.001 0.000 0.207 131 K C 2.077 178.677 176.600 0.000 0.000 1.049 131 K CA 1.942 58.114 56.287 -0.191 0.000 0.933 131 K CB -0.723 31.578 32.500 -0.332 0.000 0.714 131 K HN 0.580 nan 8.250 nan 0.000 0.438 132 H N 1.135 120.133 119.070 -0.120 0.000 2.319 132 H HA -0.048 4.508 4.556 0.001 0.000 0.299 132 H C 2.076 177.408 175.328 0.007 0.000 1.092 132 H CA 2.118 58.138 56.048 -0.047 0.000 1.302 132 H CB -0.322 29.404 29.762 -0.060 0.000 1.373 132 H HN 0.116 nan 8.280 nan 0.000 0.497 133 L N -0.387 120.762 121.223 -0.124 0.000 2.083 133 L HA -0.132 4.208 4.340 0.001 0.000 0.209 133 L C 2.878 179.720 176.870 -0.046 0.000 1.083 133 L CA 0.961 55.731 54.840 -0.117 0.000 0.752 133 L CB -0.803 41.235 42.059 -0.035 0.000 0.899 133 L HN 0.411 nan 8.230 nan 0.000 0.433 134 A N 0.111 122.960 122.820 0.048 0.000 1.940 134 A HA -0.246 4.075 4.320 0.001 0.000 0.219 134 A C 1.925 179.514 177.584 0.008 0.000 1.176 134 A CA 2.090 54.174 52.037 0.078 0.000 0.631 134 A CB -0.506 18.617 19.000 0.204 0.000 0.814 134 A HN 0.361 nan 8.150 nan 0.000 0.446 135 D N 0.142 120.526 120.400 -0.027 0.000 2.084 135 D HA -0.124 4.517 4.640 0.001 0.000 0.194 135 D C 1.964 178.217 176.300 -0.078 0.000 0.990 135 D CA 1.151 55.126 54.000 -0.042 0.000 0.826 135 D CB -0.470 40.316 40.800 -0.024 0.000 0.971 135 D HN 0.438 nan 8.370 nan 0.000 0.453 136 L N 0.824 121.942 121.223 -0.175 0.000 2.127 136 L HA -0.158 4.183 4.340 0.001 0.000 0.211 136 L C 2.140 178.981 176.870 -0.048 0.000 1.089 136 L CA 1.463 56.221 54.840 -0.136 0.000 0.757 136 L CB -0.403 41.532 42.059 -0.207 0.000 0.899 136 L HN 0.088 nan 8.230 nan 0.000 0.434 137 S N -1.785 113.901 115.700 -0.024 0.000 2.540 137 S HA 0.196 4.667 4.470 0.001 0.000 0.218 137 S C 1.201 175.816 174.600 0.025 0.000 0.977 137 S CA 0.423 58.634 58.200 0.019 0.000 0.918 137 S CB 0.498 63.730 63.200 0.053 0.000 0.806 137 S HN 0.339 nan 8.310 nan 0.000 0.496 138 K N 0.524 120.926 120.400 0.004 0.000 3.160 138 K HA -0.173 4.148 4.320 0.001 0.000 0.280 138 K C 0.332 176.929 176.600 -0.006 0.000 1.154 138 K CA 1.068 57.355 56.287 -0.001 0.000 0.822 138 K CB -3.166 29.336 32.500 0.004 0.000 1.239 138 K HN 1.408 nan 8.250 nan 0.000 0.489 139 S N -1.244 114.453 115.700 -0.004 0.000 2.617 139 S HA 0.698 5.169 4.470 0.001 0.000 0.269 139 S C 0.697 175.248 174.600 -0.081 0.000 1.292 139 S CA 0.276 58.459 58.200 -0.028 0.000 1.010 139 S CB 1.486 64.687 63.200 0.002 0.000 0.944 139 S HN 1.712 nan 8.310 nan 0.000 0.536 140 K N 0.073 120.403 120.400 -0.117 0.000 2.295 140 K HA 0.480 4.801 4.320 0.001 0.000 0.270 140 K C 1.016 177.444 176.600 -0.287 0.000 1.011 140 K CA -0.047 56.145 56.287 -0.158 0.000 0.953 140 K CB -0.286 32.133 32.500 -0.135 0.000 0.956 140 K HN 1.130 nan 8.250 nan 0.000 0.477 141 T N -2.772 111.573 114.554 -0.348 0.000 3.144 141 T HA 0.125 4.476 4.350 0.001 0.000 0.290 141 T C 1.489 175.932 174.700 -0.428 0.000 0.966 141 T CA 0.658 62.339 62.100 -0.697 0.000 0.907 141 T CB 0.081 68.554 68.868 -0.659 0.000 1.152 141 T HN 0.428 nan 8.240 nan 0.000 0.532 142 S N 3.002 118.573 115.700 -0.214 0.000 2.344 142 S HA 0.094 4.565 4.470 0.001 0.000 0.217 142 S C -1.621 172.950 174.600 -0.047 0.000 1.033 142 S CA 0.728 58.873 58.200 -0.092 0.000 1.017 142 S CB -1.012 62.151 63.200 -0.062 0.000 0.941 142 S HN 0.567 nan 8.310 nan 0.000 0.430 143 P HA 0.446 nan 4.420 nan 0.000 0.301 143 P C -1.245 176.024 177.300 -0.051 0.000 1.337 143 P CA -0.664 62.442 63.100 0.009 0.000 0.889 143 P CB 0.511 32.225 31.700 0.024 0.000 1.050 144 Y N 0.222 120.530 120.300 0.013 0.000 2.326 144 Y HA 0.332 4.883 4.550 0.001 0.000 0.333 144 Y C 0.805 176.696 175.900 -0.016 0.000 1.240 144 Y CA -0.215 57.883 58.100 -0.002 0.000 1.365 144 Y CB 0.881 39.331 38.460 -0.017 0.000 1.289 144 Y HN 0.032 nan 8.280 nan 0.000 0.548 145 V N 4.675 124.668 119.914 0.132 0.000 2.357 145 V HA 0.200 4.320 4.120 0.001 0.000 0.284 145 V C -0.408 175.719 176.094 0.054 0.000 1.018 145 V CA -0.886 61.455 62.300 0.068 0.000 0.841 145 V CB 1.155 32.989 31.823 0.019 0.000 0.991 145 V HN 0.497 nan 8.190 nan 0.000 0.437 146 L N 8.158 129.425 121.223 0.072 0.000 2.326 146 L HA 0.503 4.843 4.340 0.001 0.000 0.278 146 L C -2.020 174.918 176.870 0.113 0.000 1.092 146 L CA -1.433 53.447 54.840 0.065 0.000 0.810 146 L CB 1.861 44.018 42.059 0.162 0.000 1.153 146 L HN 0.415 nan 8.230 nan 0.000 0.439 147 P HA 0.156 nan 4.420 nan 0.000 0.279 147 P C -0.571 176.879 177.300 0.250 0.000 1.252 147 P CA -0.497 62.679 63.100 0.127 0.000 0.811 147 P CB 1.280 33.060 31.700 0.134 0.000 1.035 148 V N 3.692 123.662 119.914 0.093 0.000 2.508 148 V HA 0.154 4.274 4.120 0.001 0.000 0.281 148 V C -1.726 174.552 176.094 0.306 0.000 1.041 148 V CA -1.178 61.217 62.300 0.157 0.000 1.016 148 V CB 0.356 32.158 31.823 -0.034 0.000 0.984 148 V HN 0.587 nan 8.190 nan 0.000 0.478 149 P HA 0.311 nan 4.420 nan 0.000 0.293 149 P C -0.948 176.394 177.300 0.070 0.000 1.313 149 P CA -0.352 62.889 63.100 0.236 0.000 0.787 149 P CB 0.440 32.265 31.700 0.208 0.000 0.910 150 F N 3.747 123.673 119.950 -0.040 0.000 2.368 150 F HA 0.284 4.811 4.527 0.001 0.000 0.362 150 F C 0.733 176.496 175.800 -0.060 0.000 1.137 150 F CA -0.529 57.428 58.000 -0.072 0.000 1.161 150 F CB 0.568 39.517 39.000 -0.086 0.000 1.265 150 F HN 0.033 nan 8.300 nan 0.000 0.530 151 L N 3.919 125.156 121.223 0.023 0.000 2.257 151 L HA 0.277 4.618 4.340 0.001 0.000 0.290 151 L C 0.218 177.114 176.870 0.043 0.000 1.044 151 L CA -0.659 54.180 54.840 -0.003 0.000 0.810 151 L CB 0.683 42.704 42.059 -0.064 0.000 1.193 151 L HN 0.438 nan 8.230 nan 0.000 0.425 152 N N 2.977 121.718 118.700 0.069 0.000 2.739 152 N HA 0.061 4.802 4.740 0.001 0.000 0.266 152 N C 0.699 176.292 175.510 0.139 0.000 1.168 152 N CA -0.302 52.828 53.050 0.132 0.000 1.055 152 N CB 0.954 39.549 38.487 0.181 0.000 1.393 152 N HN 0.486 nan 8.380 nan 0.000 0.514 153 V N 1.064 121.074 119.914 0.160 0.000 3.406 153 V HA 0.293 4.414 4.120 0.001 0.000 0.263 153 V C 0.690 176.914 176.094 0.217 0.000 1.172 153 V CA 0.444 62.890 62.300 0.243 0.000 1.140 153 V CB -0.597 31.382 31.823 0.260 0.000 0.784 153 V HN 0.421 nan 8.190 nan 0.000 0.467 154 L N 1.291 122.619 121.223 0.175 0.000 2.476 154 L HA 0.573 4.913 4.340 0.001 0.000 0.269 154 L C -1.124 175.860 176.870 0.189 0.000 0.965 154 L CA -0.323 54.577 54.840 0.099 0.000 0.845 154 L CB 1.994 44.017 42.059 -0.059 0.000 1.259 154 L HN 0.228 nan 8.230 nan 0.000 0.403 155 N N 2.764 121.555 118.700 0.152 0.000 2.362 155 N HA 0.755 5.496 4.740 0.001 0.000 0.298 155 N C -0.458 175.154 175.510 0.170 0.000 1.048 155 N CA -0.540 52.634 53.050 0.206 0.000 0.858 155 N CB 2.193 40.797 38.487 0.196 0.000 1.218 155 N HN 0.687 nan 8.380 nan 0.000 0.488 156 G N -0.165 108.762 108.800 0.212 0.000 3.183 156 G HA2 0.699 4.660 3.960 0.001 0.000 0.247 156 G HA3 0.699 4.660 3.960 0.001 0.000 0.247 156 G C 0.231 175.214 174.900 0.138 0.000 1.211 156 G CA -0.107 45.091 45.100 0.164 0.000 0.835 156 G HN 0.779 nan 8.290 nan 0.000 0.604 157 G N -0.202 108.700 108.800 0.169 0.000 2.614 157 G HA2 -0.156 3.805 3.960 0.001 0.000 0.303 157 G HA3 -0.156 3.805 3.960 0.001 0.000 0.303 157 G C 1.598 176.607 174.900 0.182 0.000 1.270 157 G CA 1.853 47.120 45.100 0.278 0.000 0.988 157 G HN 2.072 nan 8.290 nan 0.000 0.551 158 S N -0.478 115.322 115.700 0.167 0.000 2.603 158 S HA 0.126 4.597 4.470 0.001 0.000 0.220 158 S C 1.467 176.206 174.600 0.232 0.000 0.967 158 S CA 1.471 59.771 58.200 0.166 0.000 0.920 158 S CB -0.075 63.227 63.200 0.170 0.000 0.773 158 S HN 0.699 nan 8.310 nan 0.000 0.529 159 H N 1.360 120.485 119.070 0.091 0.000 2.592 159 H HA 0.661 5.217 4.556 0.001 0.000 0.265 159 H C 0.660 176.018 175.328 0.051 0.000 0.955 159 H CA -0.130 55.956 56.048 0.063 0.000 1.175 159 H CB 0.401 30.204 29.762 0.069 0.000 1.433 159 H HN 0.598 nan 8.280 nan 0.000 0.537 160 A N -0.241 122.672 122.820 0.156 0.000 2.574 160 A HA 0.605 4.926 4.320 0.001 0.000 0.297 160 A C 0.229 177.833 177.584 0.034 0.000 1.062 160 A CA -0.302 51.786 52.037 0.086 0.000 0.686 160 A CB 0.907 19.956 19.000 0.081 0.000 1.285 160 A HN 0.231 nan 8.150 nan 0.000 0.403 161 G N 0.029 108.837 108.800 0.015 0.000 2.378 161 G HA2 0.636 4.596 3.960 0.001 0.000 0.255 161 G HA3 0.636 4.596 3.960 0.001 0.000 0.255 161 G C 0.420 175.301 174.900 -0.031 0.000 1.270 161 G CA 0.705 45.797 45.100 -0.014 0.000 0.876 161 G HN 2.090 nan 8.290 nan 0.000 0.521 162 G N -0.033 108.732 108.800 -0.059 0.000 2.359 162 G HA2 0.532 4.493 3.960 0.001 0.000 0.293 162 G HA3 0.532 4.493 3.960 0.001 0.000 0.293 162 G C 0.482 175.319 174.900 -0.104 0.000 1.300 162 G CA 0.071 45.128 45.100 -0.071 0.000 0.888 162 G HN 1.303 nan 8.290 nan 0.000 0.541 163 A N -0.964 121.797 122.820 -0.098 0.000 1.975 163 A HA 0.501 4.822 4.320 0.001 0.000 0.215 163 A C 1.431 178.949 177.584 -0.110 0.000 1.170 163 A CA 1.223 53.194 52.037 -0.110 0.000 0.656 163 A CB -0.337 18.618 19.000 -0.075 0.000 0.821 163 A HN 1.621 nan 8.150 nan 0.000 0.449 164 L N 0.774 121.951 121.223 -0.077 0.000 2.660 164 L HA 0.192 4.533 4.340 0.001 0.000 0.272 164 L C 1.385 178.280 176.870 0.042 0.000 1.194 164 L CA 0.457 55.284 54.840 -0.022 0.000 0.945 164 L CB 0.169 42.217 42.059 -0.018 0.000 1.212 164 L HN 0.284 nan 8.230 nan 0.000 0.490 165 A N 6.105 128.961 122.820 0.061 0.000 1.855 165 A HA 0.090 4.411 4.320 0.001 0.000 0.213 165 A C 0.979 178.727 177.584 0.274 0.000 1.195 165 A CA 0.508 52.656 52.037 0.186 0.000 0.610 165 A CB -0.533 18.381 19.000 -0.145 0.000 0.837 165 A HN 0.649 nan 8.150 nan 0.000 0.444 166 L N 0.195 121.522 121.223 0.173 0.000 2.456 166 L HA 0.031 4.372 4.340 0.001 0.000 0.272 166 L C 1.606 178.563 176.870 0.145 0.000 1.189 166 L CA -0.076 54.857 54.840 0.154 0.000 0.846 166 L CB 0.471 42.497 42.059 -0.055 0.000 1.111 166 L HN 0.557 nan 8.230 nan 0.000 0.475 167 Q N 1.714 121.531 119.800 0.029 0.000 2.096 167 Q HA 0.010 4.350 4.340 0.001 0.000 0.197 167 Q C -0.306 175.711 176.000 0.028 0.000 0.964 167 Q CA 1.047 56.838 55.803 -0.019 0.000 0.838 167 Q CB 0.508 29.141 28.738 -0.174 0.000 0.906 167 Q HN 0.671 nan 8.270 nan 0.000 0.444 168 E N -0.527 119.629 120.200 -0.073 0.000 2.275 168 E HA 0.326 4.677 4.350 0.001 0.000 0.270 168 E C -1.638 174.857 176.600 -0.175 0.000 0.882 168 E CA -0.416 55.999 56.400 0.026 0.000 0.758 168 E CB 1.663 31.398 29.700 0.059 0.000 1.195 168 E HN 0.046 nan 8.360 nan 0.000 0.419 169 F N 2.633 122.605 119.950 0.038 0.000 2.434 169 F HA 0.415 4.942 4.527 0.001 0.000 0.355 169 F C 0.021 175.838 175.800 0.028 0.000 1.115 169 F CA -0.601 57.404 58.000 0.008 0.000 1.010 169 F CB 1.002 39.987 39.000 -0.025 0.000 1.234 169 F HN 0.195 nan 8.300 nan 0.000 0.439 170 M N 4.887 124.572 119.600 0.143 0.000 2.478 170 M HA 0.603 5.084 4.480 0.001 0.000 0.327 170 M C -0.409 175.920 176.300 0.049 0.000 1.187 170 M CA -0.906 54.465 55.300 0.119 0.000 1.022 170 M CB 2.247 34.951 32.600 0.174 0.000 1.629 170 M HN 0.463 nan 8.290 nan 0.000 0.461 171 I N -0.269 120.292 120.570 -0.014 0.000 2.493 171 I HA 0.881 5.052 4.170 0.001 0.000 0.298 171 I C -0.737 175.212 176.117 -0.281 0.000 0.998 171 I CA -0.833 60.404 61.300 -0.104 0.000 1.137 171 I CB 1.822 39.789 38.000 -0.055 0.000 1.310 171 I HN 0.680 nan 8.210 nan 0.000 0.445 172 A N 5.892 128.451 122.820 -0.435 0.000 2.409 172 A HA 0.706 5.026 4.320 0.001 0.000 0.300 172 A C -2.628 174.717 177.584 -0.399 0.000 1.273 172 A CA -1.542 50.054 52.037 -0.734 0.000 0.774 172 A CB 0.588 18.641 19.000 -1.579 0.000 1.144 172 A HN 0.605 nan 8.150 nan 0.000 0.472 173 P HA 0.081 nan 4.420 nan 0.000 0.235 173 P C 1.231 178.541 177.300 0.017 0.000 1.765 173 P CA 0.266 63.287 63.100 -0.131 0.000 1.034 173 P CB -0.126 31.470 31.700 -0.173 0.000 1.984 174 T N -3.027 111.507 114.554 -0.034 0.000 2.929 174 T HA -0.097 4.253 4.350 0.001 0.000 0.271 174 T C 1.893 176.697 174.700 0.174 0.000 1.085 174 T CA 1.315 63.463 62.100 0.080 0.000 1.125 174 T CB -0.731 68.167 68.868 0.050 0.000 0.874 174 T HN 0.258 nan 8.240 nan 0.000 0.494 175 G N 0.799 109.658 108.800 0.099 0.000 2.985 175 G HA2 0.503 4.464 3.960 0.001 0.000 0.209 175 G HA3 0.503 4.464 3.960 0.001 0.000 0.209 175 G C 0.584 175.524 174.900 0.066 0.000 1.165 175 G CA 0.005 45.156 45.100 0.086 0.000 0.776 175 G HN 0.835 nan 8.290 nan 0.000 0.541 176 A N 0.222 123.072 122.820 0.050 0.000 2.466 176 A HA 0.441 4.762 4.320 0.001 0.000 0.238 176 A C 1.267 178.831 177.584 -0.033 0.000 1.074 176 A CA 0.040 52.012 52.037 -0.107 0.000 0.774 176 A CB 0.546 19.317 19.000 -0.381 0.000 1.015 176 A HN 0.295 nan 8.150 nan 0.000 0.498 177 K N -0.247 120.081 120.400 -0.121 0.000 2.262 177 K HA 0.059 4.380 4.320 0.001 0.000 0.200 177 K C 0.453 176.998 176.600 -0.092 0.000 1.049 177 K CA 1.400 57.673 56.287 -0.024 0.000 0.979 177 K CB 0.093 32.583 32.500 -0.017 0.000 0.773 177 K HN 0.913 nan 8.250 nan 0.000 0.474 178 T N -3.543 110.792 114.554 -0.366 0.000 2.883 178 T HA 0.233 4.584 4.350 0.001 0.000 0.296 178 T C 0.374 174.616 174.700 -0.762 0.000 1.117 178 T CA -0.882 61.008 62.100 -0.349 0.000 1.006 178 T CB 1.022 69.806 68.868 -0.140 0.000 1.191 178 T HN -0.024 nan 8.240 nan 0.000 0.508 179 F N 1.680 121.325 119.950 -0.508 0.000 2.126 179 F HA 0.070 4.597 4.527 0.001 0.000 0.299 179 F C 2.601 178.229 175.800 -0.288 0.000 1.096 179 F CA 2.121 59.901 58.000 -0.367 0.000 1.255 179 F CB -0.798 38.197 39.000 -0.009 0.000 0.997 179 F HN 0.809 nan 8.300 nan 0.000 0.479 180 A N -0.176 122.564 122.820 -0.134 0.000 1.908 180 A HA -0.282 4.038 4.320 0.001 0.000 0.218 180 A C 2.259 179.676 177.584 -0.278 0.000 1.181 180 A CA 1.991 53.939 52.037 -0.148 0.000 0.627 180 A CB -1.082 17.890 19.000 -0.046 0.000 0.818 180 A HN 0.577 nan 8.150 nan 0.000 0.445 181 E N -0.305 119.706 120.200 -0.315 0.000 2.051 181 E HA -0.137 4.213 4.350 0.001 0.000 0.192 181 E C 2.249 178.598 176.600 -0.418 0.000 0.991 181 E CA 1.021 57.229 56.400 -0.319 0.000 0.799 181 E CB -0.273 29.250 29.700 -0.296 0.000 0.748 181 E HN 0.536 nan 8.360 nan 0.000 0.449 182 A N 1.193 123.649 122.820 -0.606 0.000 1.892 182 A HA -0.218 4.102 4.320 0.001 0.000 0.218 182 A C 2.151 179.430 177.584 -0.509 0.000 1.188 182 A CA 1.594 53.284 52.037 -0.579 0.000 0.631 182 A CB -0.769 17.814 19.000 -0.694 0.000 0.822 182 A HN 0.384 nan 8.150 nan 0.000 0.447 183 L N -0.297 120.537 121.223 -0.649 0.000 2.093 183 L HA -0.070 4.271 4.340 0.001 0.000 0.208 183 L C 2.428 179.139 176.870 -0.265 0.000 1.085 183 L CA 2.319 56.883 54.840 -0.460 0.000 0.755 183 L CB -0.676 41.089 42.059 -0.491 0.000 0.904 183 L HN 0.506 nan 8.230 nan 0.000 0.435 184 R N 0.265 120.620 120.500 -0.241 0.000 2.070 184 R HA -0.157 4.183 4.340 0.001 0.000 0.233 184 R C 2.416 178.637 176.300 -0.132 0.000 1.137 184 R CA 2.244 58.262 56.100 -0.136 0.000 0.945 184 R CB -0.575 29.657 30.300 -0.113 0.000 0.845 184 R HN 0.622 nan 8.270 nan 0.000 0.430 185 I N -1.898 118.524 120.570 -0.248 0.000 2.493 185 I HA 0.040 4.211 4.170 0.001 0.000 0.254 185 I C 2.043 178.032 176.117 -0.213 0.000 1.160 185 I CA 1.682 62.762 61.300 -0.366 0.000 1.445 185 I CB -0.774 36.698 38.000 -0.881 0.000 1.086 185 I HN 0.200 nan 8.210 nan 0.000 0.433 186 G N 1.575 110.254 108.800 -0.200 0.000 2.422 186 G HA2 -0.281 3.679 3.960 0.001 0.000 0.218 186 G HA3 -0.281 3.679 3.960 0.001 0.000 0.218 186 G C 1.810 176.669 174.900 -0.068 0.000 1.146 186 G CA 1.117 46.137 45.100 -0.134 0.000 0.769 186 G HN 0.604 nan 8.290 nan 0.000 0.547 187 S N 0.444 116.102 115.700 -0.070 0.000 2.387 187 S HA -0.005 4.466 4.470 0.001 0.000 0.226 187 S C 1.958 176.595 174.600 0.063 0.000 1.026 187 S CA 1.435 59.605 58.200 -0.051 0.000 0.972 187 S CB -0.243 62.958 63.200 0.001 0.000 0.814 187 S HN 0.529 nan 8.310 nan 0.000 0.477 188 E N 0.943 121.223 120.200 0.133 0.000 2.077 188 E HA -0.074 4.277 4.350 0.001 0.000 0.193 188 E C 2.137 178.840 176.600 0.171 0.000 0.989 188 E CA 1.365 57.890 56.400 0.209 0.000 0.800 188 E CB -0.364 29.487 29.700 0.251 0.000 0.746 188 E HN 0.405 nan 8.360 nan 0.000 0.452 189 V N 0.651 120.653 119.914 0.146 0.000 2.295 189 V HA -0.273 3.848 4.120 0.001 0.000 0.246 189 V C 2.042 178.181 176.094 0.075 0.000 1.049 189 V CA 1.897 64.265 62.300 0.113 0.000 1.024 189 V CB -0.583 31.298 31.823 0.096 0.000 0.648 189 V HN 0.319 nan 8.190 nan 0.000 0.447 190 Y N 1.064 121.319 120.300 -0.074 0.000 2.128 190 Y HA -0.314 4.237 4.550 0.001 0.000 0.284 190 Y C 2.560 178.397 175.900 -0.105 0.000 1.154 190 Y CA 2.264 60.286 58.100 -0.131 0.000 1.149 190 Y CB -0.574 37.742 38.460 -0.241 0.000 0.976 190 Y HN 0.419 nan 8.280 nan 0.000 0.505 191 H N -1.120 117.969 119.070 0.032 0.000 2.353 191 H HA -0.137 4.419 4.556 0.001 0.000 0.300 191 H C 2.108 177.379 175.328 -0.097 0.000 1.090 191 H CA 1.589 57.602 56.048 -0.058 0.000 1.327 191 H CB -0.266 29.522 29.762 0.043 0.000 1.383 191 H HN 0.419 nan 8.280 nan 0.000 0.508 192 N N -0.101 118.637 118.700 0.063 0.000 2.188 192 N HA -0.140 4.601 4.740 0.001 0.000 0.184 192 N C 1.762 177.251 175.510 -0.035 0.000 1.018 192 N CA 0.433 53.491 53.050 0.014 0.000 0.858 192 N CB 0.053 38.554 38.487 0.023 0.000 0.989 192 N HN 0.125 nan 8.380 nan 0.000 0.426 193 L N 1.696 122.872 121.223 -0.078 0.000 2.017 193 L HA -0.152 4.188 4.340 0.001 0.000 0.208 193 L C 2.100 178.882 176.870 -0.147 0.000 1.073 193 L CA 1.795 56.570 54.840 -0.109 0.000 0.745 193 L CB -0.656 41.325 42.059 -0.131 0.000 0.894 193 L HN 0.071 nan 8.230 nan 0.000 0.432 194 K N -0.734 119.513 120.400 -0.254 0.000 2.032 194 K HA -0.197 4.124 4.320 0.001 0.000 0.209 194 K C 2.171 178.718 176.600 -0.088 0.000 1.048 194 K CA 1.901 58.059 56.287 -0.214 0.000 0.927 194 K CB -0.275 32.060 32.500 -0.276 0.000 0.712 194 K HN 0.614 nan 8.250 nan 0.000 0.441 195 S N 0.814 116.479 115.700 -0.059 0.000 2.368 195 S HA -0.121 4.350 4.470 0.001 0.000 0.224 195 S C 2.097 176.686 174.600 -0.018 0.000 1.029 195 S CA 1.045 59.229 58.200 -0.027 0.000 0.988 195 S CB -0.639 62.552 63.200 -0.016 0.000 0.838 195 S HN 0.332 nan 8.310 nan 0.000 0.462 196 L N 1.222 122.434 121.223 -0.018 0.000 2.083 196 L HA -0.089 4.252 4.340 0.001 0.000 0.209 196 L C 2.951 179.838 176.870 0.030 0.000 1.083 196 L CA 1.597 56.436 54.840 -0.002 0.000 0.752 196 L CB -1.198 40.862 42.059 0.001 0.000 0.899 196 L HN 0.392 nan 8.230 nan 0.000 0.433 197 T N -0.622 113.954 114.554 0.037 0.000 2.777 197 T HA -0.150 4.201 4.350 0.001 0.000 0.266 197 T C 1.905 176.676 174.700 0.118 0.000 1.040 197 T CA 1.107 63.274 62.100 0.111 0.000 1.141 197 T CB -0.023 68.855 68.868 0.017 0.000 0.868 197 T HN 0.280 nan 8.240 nan 0.000 0.444 198 K N 1.134 121.559 120.400 0.042 0.000 2.097 198 K HA -0.022 4.298 4.320 0.001 0.000 0.205 198 K C 2.879 179.490 176.600 0.017 0.000 1.050 198 K CA 1.372 57.679 56.287 0.032 0.000 0.938 198 K CB -0.178 32.327 32.500 0.008 0.000 0.718 198 K HN 0.326 nan 8.250 nan 0.000 0.442 199 K N 1.646 122.045 120.400 -0.001 0.000 2.097 199 K HA -0.090 4.231 4.320 0.001 0.000 0.205 199 K C 1.963 178.521 176.600 -0.070 0.000 1.050 199 K CA 1.318 57.588 56.287 -0.029 0.000 0.938 199 K CB -0.399 32.082 32.500 -0.031 0.000 0.718 199 K HN 0.197 nan 8.250 nan 0.000 0.442 200 R N -2.088 118.355 120.500 -0.095 0.000 2.173 200 R HA 0.150 4.491 4.340 0.001 0.000 0.208 200 R C 1.046 177.034 176.300 -0.520 0.000 1.035 200 R CA 1.061 56.974 56.100 -0.310 0.000 1.004 200 R CB 0.179 30.258 30.300 -0.369 0.000 0.917 200 R HN 0.580 nan 8.270 nan 0.000 0.462 201 Y N -0.673 119.608 120.300 -0.031 0.000 2.527 201 Y HA 0.353 4.904 4.550 0.001 0.000 0.247 201 Y C 0.614 176.499 175.900 -0.025 0.000 1.138 201 Y CA 0.181 58.263 58.100 -0.030 0.000 1.228 201 Y CB 1.704 40.142 38.460 -0.038 0.000 1.252 201 Y HN 0.145 nan 8.280 nan 0.000 0.531 202 G N 0.272 109.116 108.800 0.073 0.000 2.650 202 G HA2 0.081 4.042 3.960 0.001 0.000 0.686 202 G HA3 0.081 4.042 3.960 0.001 0.000 0.686 202 G C 0.697 175.622 174.900 0.042 0.000 1.205 202 G CA -0.466 44.659 45.100 0.042 0.000 0.781 202 G HN 0.406 nan 8.290 nan 0.000 0.648 203 A N 0.532 123.365 122.820 0.022 0.000 1.948 203 A HA 0.051 4.371 4.320 0.001 0.000 0.220 203 A C 2.755 180.350 177.584 0.019 0.000 1.177 203 A CA 3.068 55.115 52.037 0.017 0.000 0.636 203 A CB -0.614 18.392 19.000 0.010 0.000 0.815 203 A HN 1.664 nan 8.150 nan 0.000 0.449 204 S N -0.379 115.334 115.700 0.021 0.000 2.423 204 S HA 0.032 4.502 4.470 0.001 0.000 0.231 204 S C 2.129 176.738 174.600 0.015 0.000 1.014 204 S CA 0.903 59.113 58.200 0.017 0.000 0.965 204 S CB -0.345 62.864 63.200 0.015 0.000 0.785 204 S HN 0.814 nan 8.310 nan 0.000 0.495 205 A N 1.208 124.042 122.820 0.024 0.000 2.067 205 A HA 0.129 4.450 4.320 0.001 0.000 0.219 205 A C 2.135 179.714 177.584 -0.009 0.000 1.158 205 A CA 1.366 53.407 52.037 0.007 0.000 0.661 205 A CB -0.871 18.156 19.000 0.045 0.000 0.801 205 A HN 0.512 nan 8.150 nan 0.000 0.452 206 G N -0.403 108.397 108.800 0.001 0.000 2.813 206 G HA2 -0.010 3.950 3.960 0.001 0.000 0.209 206 G HA3 -0.010 3.950 3.960 0.001 0.000 0.209 206 G C 0.520 175.421 174.900 0.002 0.000 1.150 206 G CA -0.252 44.839 45.100 -0.015 0.000 0.785 206 G HN 0.455 nan 8.290 nan 0.000 0.535 207 N N 0.138 118.846 118.700 0.014 0.000 2.354 207 N HA 0.323 5.064 4.740 0.001 0.000 0.246 207 N C 0.207 175.740 175.510 0.039 0.000 1.285 207 N CA -0.069 52.998 53.050 0.029 0.000 0.925 207 N CB 1.727 40.228 38.487 0.024 0.000 1.174 207 N HN 0.111 nan 8.380 nan 0.000 0.478 208 V N -2.784 117.164 119.914 0.056 0.000 2.769 208 V HA 0.891 5.011 4.120 0.001 0.000 0.312 208 V C 0.739 176.870 176.094 0.062 0.000 1.058 208 V CA -0.794 61.551 62.300 0.075 0.000 0.952 208 V CB 1.166 33.056 31.823 0.113 0.000 1.019 208 V HN 0.618 nan 8.190 nan 0.000 0.445 209 G N 1.031 109.876 108.800 0.074 0.000 2.510 209 G HA2 0.325 4.285 3.960 0.001 0.000 0.280 209 G HA3 0.325 4.285 3.960 0.001 0.000 0.280 209 G C 0.135 175.066 174.900 0.051 0.000 1.386 209 G CA 0.069 45.212 45.100 0.072 0.000 1.047 209 G HN 0.772 nan 8.290 nan 0.000 0.527 210 D N -0.380 120.037 120.400 0.027 0.000 2.178 210 D HA -0.055 4.586 4.640 0.001 0.000 0.201 210 D C 1.860 178.119 176.300 -0.068 0.000 0.980 210 D CA 1.050 55.022 54.000 -0.047 0.000 0.842 210 D CB 0.202 40.919 40.800 -0.138 0.000 0.948 210 D HN 0.593 nan 8.370 nan 0.000 0.472 211 E N -0.874 119.300 120.200 -0.043 0.000 2.451 211 E HA 0.312 4.662 4.350 0.001 0.000 0.194 211 E C 0.946 177.580 176.600 0.057 0.000 1.027 211 E CA 0.149 56.557 56.400 0.013 0.000 0.914 211 E CB 0.794 30.528 29.700 0.056 0.000 1.054 211 E HN 0.231 nan 8.360 nan 0.000 0.461 212 G N 1.165 109.997 108.800 0.053 0.000 2.175 212 G HA2 -0.245 3.715 3.960 0.001 0.000 0.244 212 G HA3 -0.245 3.715 3.960 0.001 0.000 0.244 212 G C 0.570 175.551 174.900 0.135 0.000 0.982 212 G CA -0.273 44.858 45.100 0.052 0.000 0.641 212 G HN 0.471 nan 8.290 nan 0.000 0.527 213 G N -0.157 108.740 108.800 0.162 0.000 2.503 213 G HA2 0.648 4.609 3.960 0.001 0.000 0.257 213 G HA3 0.648 4.609 3.960 0.001 0.000 0.257 213 G C 0.792 175.812 174.900 0.200 0.000 1.214 213 G CA 0.369 45.616 45.100 0.244 0.000 0.839 213 G HN 1.649 nan 8.290 nan 0.000 0.559 214 V N -0.821 119.186 119.914 0.155 0.000 3.032 214 V HA 0.484 4.604 4.120 0.001 0.000 0.307 214 V C 0.748 176.848 176.094 0.010 0.000 1.097 214 V CA 0.107 62.424 62.300 0.028 0.000 1.191 214 V CB 1.012 32.793 31.823 -0.070 0.000 0.964 214 V HN 1.342 nan 8.190 nan 0.000 0.494 215 A N 4.960 127.771 122.820 -0.014 0.000 3.204 215 A HA 0.629 4.949 4.320 0.001 0.000 0.327 215 A C -1.991 175.544 177.584 -0.081 0.000 0.998 215 A CA -1.390 50.630 52.037 -0.029 0.000 0.891 215 A CB -0.172 18.833 19.000 0.008 0.000 1.061 215 A HN 0.854 nan 8.150 nan 0.000 0.478 216 P HA 0.020 nan 4.420 nan 0.000 0.271 216 P C -0.511 176.647 177.300 -0.236 0.000 1.216 216 P CA -0.156 62.791 63.100 -0.255 0.000 0.776 216 P CB 0.714 32.108 31.700 -0.511 0.000 0.881 217 N N 3.427 122.021 118.700 -0.177 0.000 2.968 217 N HA 0.142 4.883 4.740 0.001 0.000 0.271 217 N C -0.102 175.318 175.510 -0.150 0.000 1.174 217 N CA -0.203 52.772 53.050 -0.125 0.000 1.096 217 N CB -0.803 37.651 38.487 -0.056 0.000 1.403 217 N HN 0.395 nan 8.380 nan 0.000 0.522 218 I N -1.545 118.898 120.570 -0.212 0.000 2.957 218 I HA 0.427 4.598 4.170 0.001 0.000 0.310 218 I C 0.291 176.336 176.117 -0.120 0.000 1.063 218 I CA -0.821 60.363 61.300 -0.194 0.000 1.033 218 I CB 2.065 39.856 38.000 -0.349 0.000 1.230 218 I HN 0.015 nan 8.210 nan 0.000 0.447 219 Q N 0.884 120.641 119.800 -0.073 0.000 2.214 219 Q HA 0.181 4.521 4.340 0.001 0.000 0.229 219 Q C -0.078 175.901 176.000 -0.035 0.000 0.835 219 Q CA 0.027 55.801 55.803 -0.048 0.000 0.953 219 Q CB 1.205 29.928 28.738 -0.025 0.000 1.131 219 Q HN 0.893 nan 8.270 nan 0.000 0.501 220 T N -3.976 110.556 114.554 -0.038 0.000 2.907 220 T HA 0.665 5.016 4.350 0.001 0.000 0.292 220 T C 0.787 175.478 174.700 -0.015 0.000 1.043 220 T CA -0.260 61.835 62.100 -0.010 0.000 1.003 220 T CB 1.946 70.822 68.868 0.013 0.000 1.084 220 T HN -0.016 nan 8.240 nan 0.000 0.483 221 A N 1.249 124.103 122.820 0.057 0.000 1.930 221 A HA 0.031 4.352 4.320 0.001 0.000 0.217 221 A C 1.984 179.579 177.584 0.018 0.000 1.175 221 A CA 1.543 53.658 52.037 0.131 0.000 0.627 221 A CB -0.986 18.151 19.000 0.229 0.000 0.815 221 A HN 0.920 nan 8.150 nan 0.000 0.443 222 E N 0.286 120.526 120.200 0.066 0.000 2.085 222 E HA -0.181 4.169 4.350 0.001 0.000 0.194 222 E C 1.897 178.523 176.600 0.042 0.000 0.994 222 E CA 1.523 57.995 56.400 0.120 0.000 0.801 222 E CB -0.242 29.570 29.700 0.187 0.000 0.743 222 E HN 0.747 nan 8.360 nan 0.000 0.453 223 E N 0.037 120.235 120.200 -0.002 0.000 2.077 223 E HA -0.183 4.167 4.350 0.001 0.000 0.193 223 E C 2.052 178.572 176.600 -0.134 0.000 0.989 223 E CA 0.979 57.369 56.400 -0.016 0.000 0.800 223 E CB -0.138 29.551 29.700 -0.019 0.000 0.746 223 E HN 0.295 nan 8.360 nan 0.000 0.452 224 A N 0.964 123.601 122.820 -0.305 0.000 1.873 224 A HA -0.135 4.185 4.320 0.001 0.000 0.215 224 A C 2.163 179.491 177.584 -0.426 0.000 1.186 224 A CA 0.964 52.680 52.037 -0.536 0.000 0.616 224 A CB -0.617 17.673 19.000 -1.183 0.000 0.823 224 A HN 0.135 nan 8.150 nan 0.000 0.442 225 L N -0.523 120.460 121.223 -0.400 0.000 2.131 225 L HA -0.182 4.159 4.340 0.001 0.000 0.210 225 L C 2.022 178.728 176.870 -0.272 0.000 1.092 225 L CA 1.231 55.781 54.840 -0.483 0.000 0.759 225 L CB -0.525 40.900 42.059 -1.058 0.000 0.903 225 L HN 0.285 nan 8.230 nan 0.000 0.435 226 D N 0.059 120.428 120.400 -0.051 0.000 2.117 226 D HA -0.148 4.492 4.640 0.001 0.000 0.197 226 D C 2.374 178.714 176.300 0.066 0.000 0.987 226 D CA 1.090 55.167 54.000 0.128 0.000 0.829 226 D CB -0.128 40.756 40.800 0.140 0.000 0.961 226 D HN 0.190 nan 8.370 nan 0.000 0.460 227 L N 0.307 121.536 121.223 0.011 0.000 2.012 227 L HA -0.188 4.152 4.340 0.001 0.000 0.210 227 L C 2.480 179.348 176.870 -0.004 0.000 1.073 227 L CA 0.900 55.747 54.840 0.011 0.000 0.748 227 L CB -0.305 41.741 42.059 -0.022 0.000 0.891 227 L HN 0.071 nan 8.230 nan 0.000 0.431 228 I N -1.239 119.309 120.570 -0.036 0.000 2.179 228 I HA -0.266 3.905 4.170 0.001 0.000 0.242 228 I C 2.438 178.572 176.117 0.029 0.000 1.088 228 I CA 1.004 62.295 61.300 -0.015 0.000 1.357 228 I CB -0.268 37.711 38.000 -0.035 0.000 1.051 228 I HN 0.007 nan 8.210 nan 0.000 0.409 229 V N 0.801 120.753 119.914 0.064 0.000 2.332 229 V HA -0.318 3.802 4.120 0.001 0.000 0.248 229 V C 2.037 178.174 176.094 0.073 0.000 1.055 229 V CA 2.058 64.424 62.300 0.110 0.000 1.038 229 V CB -0.659 31.295 31.823 0.219 0.000 0.651 229 V HN 0.409 nan 8.190 nan 0.000 0.450 230 D N 0.067 120.502 120.400 0.059 0.000 2.144 230 D HA -0.074 4.567 4.640 0.001 0.000 0.200 230 D C 2.213 178.526 176.300 0.021 0.000 0.978 230 D CA 1.483 55.505 54.000 0.037 0.000 0.833 230 D CB -0.280 40.540 40.800 0.033 0.000 0.961 230 D HN 0.438 nan 8.370 nan 0.000 0.470 231 A N 0.676 123.509 122.820 0.020 0.000 1.877 231 A HA -0.143 4.178 4.320 0.001 0.000 0.216 231 A C 2.352 179.952 177.584 0.026 0.000 1.186 231 A CA 0.919 52.965 52.037 0.015 0.000 0.620 231 A CB -0.733 18.271 19.000 0.008 0.000 0.822 231 A HN 0.188 nan 8.150 nan 0.000 0.443 232 I N -0.394 120.200 120.570 0.041 0.000 2.163 232 I HA -0.293 3.878 4.170 0.001 0.000 0.243 232 I C 2.581 178.714 176.117 0.027 0.000 1.085 232 I CA 2.000 63.335 61.300 0.060 0.000 1.347 232 I CB -0.211 37.830 38.000 0.068 0.000 1.044 232 I HN 0.380 nan 8.210 nan 0.000 0.408 233 K N 1.246 121.656 120.400 0.016 0.000 2.057 233 K HA -0.158 4.163 4.320 0.001 0.000 0.206 233 K C 2.209 178.785 176.600 -0.040 0.000 1.050 233 K CA 1.419 57.701 56.287 -0.008 0.000 0.935 233 K CB -0.103 32.401 32.500 0.005 0.000 0.715 233 K HN 0.289 nan 8.250 nan 0.000 0.439 234 A N 0.994 123.796 122.820 -0.030 0.000 1.972 234 A HA -0.068 4.253 4.320 0.001 0.000 0.219 234 A C 2.216 179.755 177.584 -0.075 0.000 1.169 234 A CA 1.761 53.773 52.037 -0.041 0.000 0.635 234 A CB -0.570 18.417 19.000 -0.021 0.000 0.810 234 A HN 0.473 nan 8.150 nan 0.000 0.446 235 A N -1.957 120.808 122.820 -0.091 0.000 2.119 235 A HA 0.389 4.709 4.320 0.001 0.000 0.216 235 A C 1.791 179.075 177.584 -0.500 0.000 1.152 235 A CA 1.364 53.297 52.037 -0.172 0.000 0.708 235 A CB -0.747 18.244 19.000 -0.014 0.000 0.805 235 A HN 1.917 nan 8.150 nan 0.000 0.460 236 G N -1.776 106.790 108.800 -0.390 0.000 2.131 236 G HA2 -0.171 3.790 3.960 0.001 0.000 0.201 236 G HA3 -0.171 3.790 3.960 0.001 0.000 0.201 236 G C 0.146 174.814 174.900 -0.387 0.000 1.000 236 G CA 0.297 45.168 45.100 -0.382 0.000 0.680 236 G HN 0.611 nan 8.290 nan 0.000 0.514 237 H N -0.036 119.033 119.070 -0.001 0.000 2.662 237 H HA 0.346 4.903 4.556 0.001 0.000 0.268 237 H C 1.111 176.439 175.328 -0.000 0.000 1.152 237 H CA 0.168 56.213 56.048 -0.006 0.000 1.072 237 H CB -0.262 29.491 29.762 -0.015 0.000 1.660 237 H HN 0.758 nan 8.280 nan 0.000 0.584 238 D N 0.078 120.526 120.400 0.080 0.000 2.472 238 D HA 0.329 4.970 4.640 0.001 0.000 0.237 238 D C 1.546 177.882 176.300 0.059 0.000 1.141 238 D CA 0.987 55.023 54.000 0.061 0.000 0.875 238 D CB 0.157 40.979 40.800 0.036 0.000 1.192 238 D HN 0.374 nan 8.370 nan 0.000 0.450 239 G N -0.281 108.550 108.800 0.053 0.000 2.358 239 G HA2 -0.072 3.889 3.960 0.001 0.000 0.224 239 G HA3 -0.072 3.889 3.960 0.001 0.000 0.224 239 G C 1.464 176.391 174.900 0.045 0.000 1.073 239 G CA 1.255 46.383 45.100 0.047 0.000 0.635 239 G HN 1.659 nan 8.290 nan 0.000 0.509 240 K N 0.194 120.623 120.400 0.048 0.000 2.367 240 K HA 0.736 5.057 4.320 0.001 0.000 0.194 240 K C 0.787 177.384 176.600 -0.006 0.000 1.027 240 K CA 1.223 57.525 56.287 0.025 0.000 1.075 240 K CB 0.216 32.724 32.500 0.015 0.000 0.845 240 K HN 0.670 nan 8.250 nan 0.000 0.529 241 I N 2.082 122.652 120.570 0.001 0.000 2.418 241 I HA 0.417 4.587 4.170 0.001 0.000 0.287 241 I C -0.714 175.386 176.117 -0.029 0.000 1.008 241 I CA -1.105 60.173 61.300 -0.037 0.000 1.104 241 I CB 1.570 39.564 38.000 -0.011 0.000 1.264 241 I HN 0.015 nan 8.210 nan 0.000 0.438 242 K N 5.870 126.220 120.400 -0.082 0.000 2.393 242 K HA 0.729 5.050 4.320 0.001 0.000 0.241 242 K C -0.464 176.080 176.600 -0.093 0.000 1.055 242 K CA -0.876 55.376 56.287 -0.059 0.000 0.951 242 K CB 2.048 34.510 32.500 -0.062 0.000 1.285 242 K HN 0.446 nan 8.250 nan 0.000 0.500 243 I N 0.079 120.626 120.570 -0.037 0.000 2.545 243 I HA 0.361 4.532 4.170 0.001 0.000 0.292 243 I C 0.106 176.247 176.117 0.040 0.000 1.040 243 I CA -0.827 60.469 61.300 -0.007 0.000 1.068 243 I CB 2.289 40.312 38.000 0.039 0.000 1.251 243 I HN 0.559 nan 8.210 nan 0.000 0.424 244 G N 6.064 114.919 108.800 0.091 0.000 2.420 244 G HA2 0.798 4.758 3.960 0.001 0.000 0.331 244 G HA3 0.798 4.758 3.960 0.001 0.000 0.331 244 G C -1.105 173.806 174.900 0.019 0.000 1.168 244 G CA -0.552 44.648 45.100 0.167 0.000 0.936 244 G HN 0.406 nan 8.290 nan 0.000 0.479 245 L N 0.931 122.100 121.223 -0.090 0.000 2.346 245 L HA 0.467 4.807 4.340 0.001 0.000 0.274 245 L C -1.052 175.676 176.870 -0.236 0.000 1.007 245 L CA -0.987 53.702 54.840 -0.253 0.000 0.818 245 L CB 2.441 44.287 42.059 -0.355 0.000 1.284 245 L HN 0.391 nan 8.230 nan 0.000 0.424 246 D N 0.716 120.963 120.400 -0.256 0.000 2.461 246 D HA 0.252 4.892 4.640 0.001 0.000 0.240 246 D C 0.418 176.571 176.300 -0.244 0.000 1.094 246 D CA -0.490 53.385 54.000 -0.209 0.000 0.868 246 D CB 1.491 42.227 40.800 -0.107 0.000 1.062 246 D HN 0.508 nan 8.370 nan 0.000 0.530 247 C N 3.016 122.154 119.300 -0.271 0.000 2.450 247 C HA 0.256 4.717 4.460 0.001 0.000 0.279 247 C C 1.695 176.610 174.990 -0.125 0.000 1.335 247 C CA 0.403 59.316 59.018 -0.175 0.000 1.749 247 C CB -1.313 26.298 27.740 -0.215 0.000 1.963 247 C HN 0.887 nan 8.230 nan 0.000 0.501 248 A N 1.450 124.144 122.820 -0.210 0.000 2.596 248 A HA -0.232 4.089 4.320 0.001 0.000 0.300 248 A C 1.649 178.937 177.584 -0.493 0.000 1.495 248 A CA 0.954 52.843 52.037 -0.247 0.000 0.769 248 A CB -1.806 17.083 19.000 -0.184 0.000 1.047 248 A HN 1.046 nan 8.150 nan 0.000 0.436 249 S N -0.730 114.596 115.700 -0.624 0.000 2.419 249 S HA -0.131 4.340 4.470 0.001 0.000 0.233 249 S C 1.713 175.795 174.600 -0.864 0.000 1.016 249 S CA 1.494 58.985 58.200 -1.181 0.000 0.974 249 S CB -0.514 62.287 63.200 -0.664 0.000 0.786 249 S HN 1.136 nan 8.310 nan 0.000 0.492 250 S N 1.869 117.306 115.700 -0.438 0.000 2.469 250 S HA -0.035 4.436 4.470 0.001 0.000 0.238 250 S C 1.648 176.066 174.600 -0.303 0.000 0.998 250 S CA 0.981 59.033 58.200 -0.247 0.000 0.957 250 S CB -0.324 62.787 63.200 -0.148 0.000 0.764 250 S HN 0.550 nan 8.310 nan 0.000 0.514 251 E N 0.969 120.869 120.200 -0.500 0.000 2.274 251 E HA -0.027 4.323 4.350 0.001 0.000 0.194 251 E C 0.806 176.973 176.600 -0.721 0.000 0.996 251 E CA 0.653 56.753 56.400 -0.501 0.000 0.840 251 E CB -0.107 29.331 29.700 -0.437 0.000 0.772 251 E HN 0.856 nan 8.360 nan 0.000 0.491 252 F N -2.408 117.193 119.950 -0.582 0.000 2.791 252 F HA 0.348 4.876 4.527 0.001 0.000 0.316 252 F C -0.048 175.595 175.800 -0.261 0.000 1.134 252 F CA -1.362 56.280 58.000 -0.596 0.000 1.222 252 F CB -0.461 38.119 39.000 -0.700 0.000 1.034 252 F HN -0.283 nan 8.300 nan 0.000 0.516 253 F N 3.569 123.284 119.950 -0.392 0.000 2.438 253 F HA 0.639 5.167 4.527 0.001 0.000 0.360 253 F C -0.089 175.504 175.800 -0.345 0.000 1.118 253 F CA -0.765 56.940 58.000 -0.492 0.000 1.164 253 F CB -0.107 38.609 39.000 -0.474 0.000 1.131 253 F HN 0.181 nan 8.300 nan 0.000 0.527 254 K N 2.637 122.597 120.400 -0.734 0.000 2.468 254 K HA 0.555 4.876 4.320 0.001 0.000 0.252 254 K C 0.093 176.436 176.600 -0.428 0.000 0.932 254 K CA -0.293 55.685 56.287 -0.514 0.000 0.794 254 K CB 0.233 32.484 32.500 -0.415 0.000 1.241 254 K HN 1.233 nan 8.250 nan 0.000 0.428 255 D N 0.179 120.392 120.400 -0.313 0.000 2.704 255 D HA 0.224 4.865 4.640 0.001 0.000 0.232 255 D C 1.811 177.963 176.300 -0.246 0.000 1.183 255 D CA 2.281 56.179 54.000 -0.169 0.000 0.647 255 D CB -1.937 38.888 40.800 0.041 0.000 1.013 255 D HN 2.500 nan 8.370 nan 0.000 0.415 256 G N -1.408 107.038 108.800 -0.590 0.000 2.189 256 G HA2 -0.256 3.705 3.960 0.001 0.000 0.267 256 G HA3 -0.256 3.705 3.960 0.001 0.000 0.267 256 G C 0.545 175.299 174.900 -0.243 0.000 0.975 256 G CA 1.449 46.291 45.100 -0.430 0.000 0.644 256 G HN 1.160 nan 8.290 nan 0.000 0.537 257 K N -1.725 118.468 120.400 -0.345 0.000 2.208 257 K HA 0.702 5.022 4.320 0.001 0.000 0.241 257 K C -1.207 175.256 176.600 -0.230 0.000 1.087 257 K CA -1.041 55.223 56.287 -0.038 0.000 0.883 257 K CB 1.258 33.904 32.500 0.243 0.000 1.360 257 K HN 0.054 nan 8.250 nan 0.000 0.496 258 Y N 0.425 120.853 120.300 0.213 0.000 2.326 258 Y HA 0.165 4.716 4.550 0.001 0.000 0.331 258 Y C -0.744 175.120 175.900 -0.059 0.000 0.962 258 Y CA -0.915 57.305 58.100 0.200 0.000 1.167 258 Y CB 1.521 40.191 38.460 0.350 0.000 1.148 258 Y HN 0.435 nan 8.280 nan 0.000 0.463 259 D N 4.221 124.483 120.400 -0.230 0.000 2.428 259 D HA 0.198 4.838 4.640 0.001 0.000 0.221 259 D C 0.319 176.433 176.300 -0.309 0.000 1.123 259 D CA -0.007 53.615 54.000 -0.629 0.000 0.869 259 D CB 0.790 40.884 40.800 -1.177 0.000 1.032 259 D HN 0.645 nan 8.370 nan 0.000 0.506 260 L N 2.072 123.140 121.223 -0.258 0.000 2.675 260 L HA 0.129 4.470 4.340 0.001 0.000 0.239 260 L C 1.224 178.033 176.870 -0.101 0.000 1.151 260 L CA 0.772 55.434 54.840 -0.297 0.000 0.905 260 L CB -0.418 41.500 42.059 -0.235 0.000 1.057 260 L HN 0.470 nan 8.230 nan 0.000 0.435 261 D N -0.602 119.783 120.400 -0.025 0.000 2.740 261 D HA 0.135 4.776 4.640 0.001 0.000 0.301 261 D C 1.134 177.441 176.300 0.012 0.000 1.408 261 D CA -0.460 53.543 54.000 0.005 0.000 0.808 261 D CB -0.348 40.490 40.800 0.064 0.000 1.128 261 D HN 0.318 nan 8.370 nan 0.000 0.465 262 F N -0.176 119.703 119.950 -0.118 0.000 2.494 262 F HA 0.189 4.717 4.527 0.001 0.000 0.298 262 F C 1.648 177.436 175.800 -0.019 0.000 1.106 262 F CA 0.689 58.639 58.000 -0.084 0.000 1.452 262 F CB 0.114 39.077 39.000 -0.062 0.000 1.085 262 F HN 0.048 nan 8.300 nan 0.000 0.569 263 K N 1.018 121.048 120.400 -0.616 0.000 2.444 263 K HA 0.233 4.554 4.320 0.001 0.000 0.193 263 K C 0.542 177.032 176.600 -0.182 0.000 1.024 263 K CA 0.662 56.670 56.287 -0.466 0.000 1.077 263 K CB -0.720 31.463 32.500 -0.528 0.000 0.833 263 K HN 0.608 nan 8.250 nan 0.000 0.517 267 S N -0.187 115.636 115.700 0.206 0.000 2.603 267 S HA 0.410 4.881 4.470 0.001 0.000 0.268 267 S C -0.188 174.550 174.600 0.231 0.000 1.317 267 S CA -0.414 57.937 58.200 0.251 0.000 1.012 267 S CB 1.072 64.492 63.200 0.367 0.000 0.926 267 S HN 0.717 nan 8.310 nan 0.000 0.539 268 D N 1.363 121.854 120.400 0.152 0.000 2.346 268 D HA 0.189 4.830 4.640 0.001 0.000 0.267 268 D C 1.206 177.424 176.300 -0.137 0.000 1.320 268 D CA 0.159 54.169 54.000 0.017 0.000 0.951 268 D CB 0.654 41.471 40.800 0.028 0.000 1.079 268 D HN 0.781 nan 8.370 nan 0.000 0.509 269 K N 1.796 121.911 120.400 -0.475 0.000 2.515 269 K HA -0.099 4.222 4.320 0.001 0.000 0.196 269 K C 1.756 177.868 176.600 -0.814 0.000 1.038 269 K CA 1.290 56.792 56.287 -1.308 0.000 0.967 269 K CB -0.533 31.247 32.500 -1.200 0.000 0.780 269 K HN 0.530 nan 8.250 nan 0.000 0.483 270 S N -0.420 115.067 115.700 -0.355 0.000 2.524 270 S HA 0.069 4.540 4.470 0.001 0.000 0.216 270 S C 1.647 176.218 174.600 -0.048 0.000 0.987 270 S CA 0.390 58.489 58.200 -0.169 0.000 0.909 270 S CB 0.223 63.360 63.200 -0.105 0.000 0.781 270 S HN 0.596 nan 8.310 nan 0.000 0.521 271 K N -0.045 120.362 120.400 0.012 0.000 2.367 271 K HA 0.135 4.456 4.320 0.001 0.000 0.194 271 K C -0.601 176.178 176.600 0.298 0.000 1.027 271 K CA -0.329 56.042 56.287 0.140 0.000 1.075 271 K CB 0.125 32.710 32.500 0.141 0.000 0.845 271 K HN 0.367 nan 8.250 nan 0.000 0.529 272 W N 2.293 123.617 121.300 0.040 0.000 2.193 272 W HA 0.109 4.769 4.660 0.001 0.000 0.338 272 W C 0.484 177.055 176.519 0.085 0.000 1.310 272 W CA -0.694 56.691 57.345 0.067 0.000 1.243 272 W CB -0.262 29.233 29.460 0.060 0.000 1.165 272 W HN -0.091 nan 8.180 nan 0.000 0.566 273 L N 2.987 124.416 121.223 0.342 0.000 2.343 273 L HA 0.438 4.779 4.340 0.001 0.000 0.275 273 L C 1.108 178.184 176.870 0.344 0.000 1.056 273 L CA -0.874 54.121 54.840 0.259 0.000 0.804 273 L CB 1.000 43.155 42.059 0.159 0.000 1.203 273 L HN 0.430 nan 8.230 nan 0.000 0.440 274 T N -1.506 113.206 114.554 0.263 0.000 2.847 274 T HA 0.247 4.598 4.350 0.001 0.000 0.279 274 T C 1.308 176.193 174.700 0.308 0.000 0.984 274 T CA -0.133 62.144 62.100 0.295 0.000 0.988 274 T CB 1.470 70.450 68.868 0.186 0.000 1.040 274 T HN 0.692 nan 8.240 nan 0.000 0.528 275 G N 1.176 110.185 108.800 0.348 0.000 2.514 275 G HA2 -0.122 3.838 3.960 0.001 0.000 0.217 275 G HA3 -0.122 3.838 3.960 0.001 0.000 0.217 275 G C -0.848 174.127 174.900 0.125 0.000 1.198 275 G CA 0.785 46.029 45.100 0.240 0.000 0.780 275 G HN 0.670 nan 8.290 nan 0.000 0.565 276 P HA -0.040 nan 4.420 nan 0.000 0.220 276 P C 1.802 179.162 177.300 0.100 0.000 1.148 276 P CA 1.095 64.263 63.100 0.113 0.000 0.803 276 P CB 0.001 31.758 31.700 0.094 0.000 0.782 277 Q N -1.257 118.585 119.800 0.070 0.000 2.137 277 Q HA -0.082 4.259 4.340 0.001 0.000 0.198 277 Q C 1.986 177.938 176.000 -0.080 0.000 0.960 277 Q CA 0.740 56.561 55.803 0.030 0.000 0.847 277 Q CB -0.667 28.104 28.738 0.055 0.000 0.915 277 Q HN 0.169 nan 8.270 nan 0.000 0.448 278 L N 0.862 121.996 121.223 -0.148 0.000 2.027 278 L HA -0.095 4.245 4.340 0.001 0.000 0.206 278 L C 2.191 178.608 176.870 -0.755 0.000 1.074 278 L CA 2.005 56.548 54.840 -0.494 0.000 0.745 278 L CB -0.878 40.835 42.059 -0.577 0.000 0.898 278 L HN 0.119 nan 8.230 nan 0.000 0.433 279 A N -0.445 122.204 122.820 -0.284 0.000 1.940 279 A HA -0.253 4.068 4.320 0.001 0.000 0.219 279 A C 2.157 179.663 177.584 -0.130 0.000 1.176 279 A CA 2.326 54.278 52.037 -0.141 0.000 0.631 279 A CB -1.667 17.506 19.000 0.287 0.000 0.814 279 A HN 0.588 nan 8.150 nan 0.000 0.446 280 D N -0.264 120.145 120.400 0.014 0.000 2.117 280 D HA -0.044 4.596 4.640 0.001 0.000 0.197 280 D C 1.933 178.260 176.300 0.045 0.000 0.987 280 D CA 1.589 55.668 54.000 0.133 0.000 0.829 280 D CB -0.503 40.358 40.800 0.102 0.000 0.961 280 D HN 0.348 nan 8.370 nan 0.000 0.460 281 L N -0.097 121.053 121.223 -0.121 0.000 1.970 281 L HA -0.133 4.208 4.340 0.001 0.000 0.212 281 L C 2.440 179.302 176.870 -0.013 0.000 1.071 281 L CA 1.942 56.709 54.840 -0.122 0.000 0.751 281 L CB -1.216 40.675 42.059 -0.279 0.000 0.889 281 L HN 0.449 nan 8.230 nan 0.000 0.432 282 Y N 0.148 120.380 120.300 -0.113 0.000 2.114 282 Y HA -0.289 4.261 4.550 0.001 0.000 0.282 282 Y C 2.796 178.712 175.900 0.027 0.000 1.165 282 Y CA 1.830 59.859 58.100 -0.118 0.000 1.148 282 Y CB -1.571 36.702 38.460 -0.313 0.000 0.972 282 Y HN 0.482 nan 8.280 nan 0.000 0.504 283 H N -0.959 118.303 119.070 0.321 0.000 2.387 283 H HA -0.156 4.400 4.556 0.001 0.000 0.299 283 H C 2.506 177.923 175.328 0.148 0.000 1.099 283 H CA 1.609 57.789 56.048 0.220 0.000 1.315 283 H CB -0.119 29.749 29.762 0.177 0.000 1.380 283 H HN 0.363 nan 8.280 nan 0.000 0.513 284 S N 0.811 116.655 115.700 0.240 0.000 2.368 284 S HA -0.138 4.333 4.470 0.001 0.000 0.225 284 S C 2.075 176.778 174.600 0.171 0.000 1.030 284 S CA 0.998 59.295 58.200 0.161 0.000 0.999 284 S CB -0.512 62.762 63.200 0.123 0.000 0.844 284 S HN 0.360 nan 8.310 nan 0.000 0.459 285 L N 0.278 121.637 121.223 0.227 0.000 2.093 285 L HA -0.008 4.333 4.340 0.001 0.000 0.208 285 L C 2.932 179.976 176.870 0.291 0.000 1.085 285 L CA 1.458 56.493 54.840 0.324 0.000 0.755 285 L CB -0.573 41.668 42.059 0.303 0.000 0.904 285 L HN 0.369 nan 8.230 nan 0.000 0.435 286 M N 0.130 119.866 119.600 0.226 0.000 2.213 286 M HA -0.200 4.281 4.480 0.001 0.000 0.263 286 M C 2.720 179.098 176.300 0.129 0.000 1.062 286 M CA 2.155 57.564 55.300 0.182 0.000 1.105 286 M CB -0.465 32.249 32.600 0.191 0.000 1.385 286 M HN 0.247 nan 8.290 nan 0.000 0.417 287 K N 0.470 120.933 120.400 0.105 0.000 2.243 287 K HA -0.030 4.291 4.320 0.001 0.000 0.201 287 K C 1.835 178.426 176.600 -0.015 0.000 1.051 287 K CA 1.253 57.566 56.287 0.044 0.000 0.970 287 K CB -0.568 31.954 32.500 0.036 0.000 0.755 287 K HN 0.432 nan 8.250 nan 0.000 0.465 288 R N -1.587 118.875 120.500 -0.063 0.000 2.189 288 R HA 0.148 4.489 4.340 0.001 0.000 0.203 288 R C -0.461 175.589 176.300 -0.417 0.000 1.012 288 R CA 0.355 56.271 56.100 -0.306 0.000 1.015 288 R CB 0.200 30.197 30.300 -0.505 0.000 0.938 288 R HN 0.481 nan 8.270 nan 0.000 0.472 289 Y N -0.322 120.012 120.300 0.057 0.000 2.536 289 Y HA 0.369 4.920 4.550 0.001 0.000 0.347 289 Y C -2.065 173.865 175.900 0.051 0.000 1.000 289 Y CA -3.144 54.990 58.100 0.056 0.000 1.051 289 Y CB 1.832 40.334 38.460 0.070 0.000 1.259 289 Y HN -0.033 nan 8.280 nan 0.000 0.468 290 P HA 0.167 nan 4.420 nan 0.000 0.225 290 P C -0.456 176.913 177.300 0.116 0.000 1.768 290 P CA 0.427 63.604 63.100 0.128 0.000 0.943 290 P CB -0.582 31.176 31.700 0.097 0.000 1.936 291 I N 1.600 122.250 120.570 0.134 0.000 2.436 291 I HA -0.022 4.148 4.170 0.001 0.000 0.289 291 I C 1.725 177.903 176.117 0.102 0.000 1.083 291 I CA -0.129 61.235 61.300 0.106 0.000 1.372 291 I CB 1.215 39.277 38.000 0.103 0.000 1.408 291 I HN 0.004 nan 8.210 nan 0.000 0.516 292 V N 1.708 121.694 119.914 0.120 0.000 3.528 292 V HA 0.301 4.421 4.120 0.001 0.000 0.294 292 V C 0.449 176.693 176.094 0.249 0.000 1.404 292 V CA 0.019 62.435 62.300 0.192 0.000 1.065 292 V CB 0.420 32.400 31.823 0.262 0.000 0.904 292 V HN 0.647 nan 8.190 nan 0.000 0.435 293 S N -0.059 115.745 115.700 0.173 0.000 2.543 293 S HA 0.778 5.248 4.470 0.001 0.000 0.273 293 S C -1.320 173.279 174.600 -0.003 0.000 1.152 293 S CA -0.517 57.752 58.200 0.115 0.000 0.910 293 S CB 1.702 64.972 63.200 0.118 0.000 1.105 293 S HN 0.345 nan 8.310 nan 0.000 0.465 294 I N 3.150 123.678 120.570 -0.070 0.000 2.533 294 I HA 0.468 4.639 4.170 0.001 0.000 0.290 294 I C -0.342 175.643 176.117 -0.220 0.000 1.056 294 I CA -0.533 60.640 61.300 -0.212 0.000 1.057 294 I CB 2.074 39.859 38.000 -0.358 0.000 1.240 294 I HN 0.621 nan 8.210 nan 0.000 0.423 295 E N 5.478 125.530 120.200 -0.247 0.000 2.183 295 E HA 0.216 4.566 4.350 0.001 0.000 0.271 295 E C -0.999 175.451 176.600 -0.251 0.000 0.919 295 E CA -0.457 55.840 56.400 -0.171 0.000 0.781 295 E CB 1.072 30.705 29.700 -0.112 0.000 1.140 295 E HN 0.545 nan 8.360 nan 0.000 0.402 296 D N 4.108 124.422 120.400 -0.144 0.000 2.697 296 D HA -0.146 4.495 4.640 0.001 0.000 0.235 296 D C -1.811 174.132 176.300 -0.594 0.000 1.167 296 D CA 0.538 54.436 54.000 -0.171 0.000 0.656 296 D CB -0.535 40.233 40.800 -0.054 0.000 1.025 296 D HN 0.476 nan 8.370 nan 0.000 0.419 297 P HA -0.128 nan 4.420 nan 0.000 0.220 297 P C 0.388 176.705 177.300 -1.639 0.000 1.148 297 P CA 1.136 63.392 63.100 -1.406 0.000 0.803 297 P CB 0.240 30.895 31.700 -1.741 0.000 0.782 298 F N -0.867 118.546 119.950 -0.895 0.000 2.664 298 F HA 0.629 5.156 4.527 0.001 0.000 0.329 298 F C 0.682 176.385 175.800 -0.161 0.000 1.090 298 F CA -1.646 56.014 58.000 -0.568 0.000 0.978 298 F CB 0.095 38.737 39.000 -0.596 0.000 1.378 298 F HN -0.235 nan 8.300 nan 0.000 0.495 299 A N 0.222 123.080 122.820 0.063 0.000 2.448 299 A HA 0.200 4.521 4.320 0.001 0.000 0.239 299 A C 1.272 178.854 177.584 -0.003 0.000 1.080 299 A CA 0.108 52.029 52.037 -0.192 0.000 0.779 299 A CB -0.124 18.254 19.000 -1.037 0.000 1.026 299 A HN 0.951 nan 8.150 nan 0.000 0.499 300 E N 0.071 120.198 120.200 -0.121 0.000 2.265 300 E HA -0.198 4.153 4.350 0.001 0.000 0.196 300 E C -0.153 176.180 176.600 -0.444 0.000 0.996 300 E CA 1.468 57.734 56.400 -0.223 0.000 0.832 300 E CB -0.202 29.402 29.700 -0.160 0.000 0.756 300 E HN 0.722 nan 8.360 nan 0.000 0.491 301 D N -0.145 120.051 120.400 -0.339 0.000 2.535 301 D HA 0.023 4.664 4.640 0.001 0.000 0.229 301 D C -0.165 175.939 176.300 -0.327 0.000 1.238 301 D CA -0.409 53.356 54.000 -0.392 0.000 0.824 301 D CB 0.063 40.831 40.800 -0.054 0.000 1.045 301 D HN -0.065 nan 8.370 nan 0.000 0.500 302 D N 0.370 120.620 120.400 -0.249 0.000 2.741 302 D HA 0.071 4.712 4.640 0.001 0.000 0.233 302 D C 0.315 176.676 176.300 0.101 0.000 1.160 302 D CA -0.533 53.460 54.000 -0.011 0.000 1.003 302 D CB -0.342 40.459 40.800 0.002 0.000 1.064 302 D HN 0.167 nan 8.370 nan 0.000 0.503 303 W N 1.246 122.599 121.300 0.089 0.000 2.321 303 W HA -0.211 4.449 4.660 0.001 0.000 0.306 303 W C 2.578 179.195 176.519 0.164 0.000 1.217 303 W CA 1.660 59.053 57.345 0.081 0.000 1.257 303 W CB -0.562 28.905 29.460 0.013 0.000 1.145 303 W HN 0.388 nan 8.180 nan 0.000 0.509 304 E N 0.600 121.000 120.200 0.334 0.000 2.051 304 E HA -0.119 4.231 4.350 0.001 0.000 0.192 304 E C 2.010 178.715 176.600 0.176 0.000 0.991 304 E CA 2.014 58.550 56.400 0.226 0.000 0.799 304 E CB -1.231 28.556 29.700 0.145 0.000 0.748 304 E HN 0.305 nan 8.360 nan 0.000 0.449 305 A N -0.200 122.660 122.820 0.068 0.000 1.883 305 A HA -0.082 4.239 4.320 0.001 0.000 0.217 305 A C 2.212 179.682 177.584 -0.190 0.000 1.186 305 A CA 1.692 53.590 52.037 -0.233 0.000 0.624 305 A CB -0.908 17.789 19.000 -0.506 0.000 0.822 305 A HN 0.696 nan 8.150 nan 0.000 0.444 306 W N 0.539 121.797 121.300 -0.070 0.000 2.335 306 W HA -0.141 4.519 4.660 0.001 0.000 0.311 306 W C 2.918 179.576 176.519 0.232 0.000 1.213 306 W CA 1.907 59.341 57.345 0.148 0.000 1.274 306 W CB -0.688 28.828 29.460 0.093 0.000 1.148 306 W HN 0.281 nan 8.180 nan 0.000 0.498 307 S N -1.625 114.347 115.700 0.454 0.000 2.368 307 S HA -0.276 4.195 4.470 0.001 0.000 0.225 307 S C 1.683 176.491 174.600 0.346 0.000 1.030 307 S CA 1.525 59.951 58.200 0.377 0.000 0.999 307 S CB -0.830 62.557 63.200 0.313 0.000 0.844 307 S HN 0.396 nan 8.310 nan 0.000 0.459 308 H N -0.103 119.086 119.070 0.199 0.000 2.270 308 H HA -0.119 4.438 4.556 0.001 0.000 0.299 308 H C 2.130 177.582 175.328 0.206 0.000 1.077 308 H CA 1.834 57.974 56.048 0.153 0.000 1.294 308 H CB -0.405 29.402 29.762 0.075 0.000 1.371 308 H HN 0.436 nan 8.280 nan 0.000 0.491 309 F N 0.663 120.635 119.950 0.037 0.000 2.202 309 F HA -0.202 4.326 4.527 0.001 0.000 0.301 309 F C 2.287 178.149 175.800 0.104 0.000 1.082 309 F CA 1.274 59.319 58.000 0.075 0.000 1.313 309 F CB -0.686 38.479 39.000 0.274 0.000 1.024 309 F HN 0.141 nan 8.300 nan 0.000 0.495 310 F N 1.091 121.076 119.950 0.058 0.000 2.206 310 F HA -0.050 4.477 4.527 0.001 0.000 0.298 310 F C 2.203 177.938 175.800 -0.109 0.000 1.090 310 F CA 1.405 59.385 58.000 -0.033 0.000 1.323 310 F CB -0.524 38.541 39.000 0.108 0.000 1.028 310 F HN -0.197 nan 8.300 nan 0.000 0.492 311 K N -1.061 119.315 120.400 -0.040 0.000 2.173 311 K HA -0.229 4.091 4.320 0.001 0.000 0.207 311 K C 1.896 178.332 176.600 -0.274 0.000 1.046 311 K CA 1.854 58.067 56.287 -0.123 0.000 0.929 311 K CB -0.407 32.060 32.500 -0.055 0.000 0.720 311 K HN 0.293 nan 8.250 nan 0.000 0.453 312 T N -1.524 112.819 114.554 -0.352 0.000 3.003 312 T HA 0.289 4.640 4.350 0.001 0.000 0.261 312 T C 1.474 175.909 174.700 -0.442 0.000 1.003 312 T CA 0.463 62.352 62.100 -0.350 0.000 0.917 312 T CB 0.198 68.891 68.868 -0.291 0.000 1.084 312 T HN 0.185 nan 8.240 nan 0.000 0.522 313 A N 1.173 123.600 122.820 -0.654 0.000 1.873 313 A HA 0.269 4.589 4.320 0.001 0.000 0.218 313 A C 2.239 179.583 177.584 -0.400 0.000 1.193 313 A CA 1.994 53.611 52.037 -0.699 0.000 0.629 313 A CB -1.500 17.054 19.000 -0.742 0.000 0.826 313 A HN 1.448 nan 8.150 nan 0.000 0.447 314 G N -1.402 107.145 108.800 -0.421 0.000 2.168 314 G HA2 -0.258 3.703 3.960 0.001 0.000 0.263 314 G HA3 -0.258 3.703 3.960 0.001 0.000 0.263 314 G C 0.273 175.047 174.900 -0.211 0.000 0.977 314 G CA 0.907 45.835 45.100 -0.286 0.000 0.659 314 G HN 1.699 nan 8.290 nan 0.000 0.533 315 I N -4.068 116.377 120.570 -0.209 0.000 3.174 315 I HA 0.717 4.888 4.170 0.001 0.000 0.313 315 I C 0.037 176.089 176.117 -0.109 0.000 1.155 315 I CA -1.576 59.655 61.300 -0.115 0.000 0.977 315 I CB 1.566 39.554 38.000 -0.020 0.000 1.248 315 I HN 0.042 nan 8.210 nan 0.000 0.453 316 Q N 2.499 122.256 119.800 -0.071 0.000 2.274 316 Q HA 0.234 4.574 4.340 0.001 0.000 0.280 316 Q C -1.291 174.744 176.000 0.059 0.000 1.047 316 Q CA 0.045 55.830 55.803 -0.030 0.000 0.907 316 Q CB 0.619 29.421 28.738 0.107 0.000 1.171 316 Q HN 0.491 nan 8.270 nan 0.000 0.381 317 I N 5.569 126.205 120.570 0.110 0.000 2.355 317 I HA 0.251 4.422 4.170 0.001 0.000 0.288 317 I C -0.508 175.619 176.117 0.017 0.000 0.999 317 I CA -0.662 60.702 61.300 0.106 0.000 1.163 317 I CB 1.359 39.532 38.000 0.290 0.000 1.316 317 I HN 0.410 nan 8.210 nan 0.000 0.454 318 V N 5.724 125.649 119.914 0.018 0.000 2.394 318 V HA 0.572 4.693 4.120 0.001 0.000 0.282 318 V C 0.651 176.827 176.094 0.137 0.000 1.031 318 V CA -0.742 61.566 62.300 0.013 0.000 0.881 318 V CB 1.465 33.269 31.823 -0.031 0.000 0.982 318 V HN 0.841 nan 8.190 nan 0.000 0.451 319 A N 3.137 126.017 122.820 0.100 0.000 2.276 319 A HA 0.573 4.894 4.320 0.001 0.000 0.300 319 A C 0.291 177.899 177.584 0.040 0.000 1.235 319 A CA -0.207 51.878 52.037 0.079 0.000 0.867 319 A CB 0.685 19.634 19.000 -0.086 0.000 1.137 319 A HN 0.889 nan 8.150 nan 0.000 0.527 320 D N 2.847 123.268 120.400 0.035 0.000 3.061 320 D HA 0.190 4.830 4.640 0.001 0.000 0.243 320 D C 1.880 178.154 176.300 -0.044 0.000 1.572 320 D CA 1.031 55.033 54.000 0.003 0.000 1.269 320 D CB -0.155 40.654 40.800 0.016 0.000 1.023 320 D HN 0.410 nan 8.370 nan 0.000 0.280 321 A N 0.615 123.409 122.820 -0.042 0.000 2.024 321 A HA -0.058 4.263 4.320 0.001 0.000 0.220 321 A C 2.286 179.767 177.584 -0.172 0.000 1.164 321 A CA 1.444 53.433 52.037 -0.080 0.000 0.643 321 A CB -0.873 18.087 19.000 -0.067 0.000 0.806 321 A HN 0.394 nan 8.150 nan 0.000 0.451 322 L N 0.242 121.286 121.223 -0.299 0.000 2.012 322 L HA -0.150 4.191 4.340 0.001 0.000 0.210 322 L C 2.585 179.216 176.870 -0.398 0.000 1.073 322 L CA 2.903 57.370 54.840 -0.623 0.000 0.748 322 L CB -0.478 40.819 42.059 -1.271 0.000 0.891 322 L HN 0.547 nan 8.230 nan 0.000 0.431 323 T N -4.240 110.177 114.554 -0.229 0.000 3.015 323 T HA 0.100 4.451 4.350 0.001 0.000 0.250 323 T C 1.023 175.696 174.700 -0.044 0.000 1.057 323 T CA 0.411 62.462 62.100 -0.082 0.000 1.066 323 T CB -0.602 68.254 68.868 -0.020 0.000 0.959 323 T HN 0.561 nan 8.240 nan 0.000 0.488 324 V N 0.708 120.590 119.914 -0.053 0.000 4.931 324 V HA -0.254 3.866 4.120 0.001 0.000 0.254 324 V C 0.287 176.369 176.094 -0.019 0.000 0.620 324 V CA 0.782 63.063 62.300 -0.031 0.000 0.715 324 V CB -3.532 28.273 31.823 -0.030 0.000 0.589 324 V HN 0.751 nan 8.190 nan 0.000 0.982 325 T N -0.494 114.050 114.554 -0.016 0.000 3.549 325 T HA -0.261 4.089 4.350 0.001 0.000 0.398 325 T C 0.194 174.880 174.700 -0.024 0.000 0.766 325 T CA 1.536 63.626 62.100 -0.017 0.000 2.007 325 T CB -1.597 67.265 68.868 -0.010 0.000 1.727 325 T HN 1.361 nan 8.240 nan 0.000 0.693 326 N N 0.968 119.653 118.700 -0.026 0.000 2.296 326 N HA 0.262 5.003 4.740 0.001 0.000 0.294 326 N C -1.735 173.751 175.510 -0.040 0.000 1.033 326 N CA -2.291 50.743 53.050 -0.027 0.000 0.839 326 N CB 2.515 40.993 38.487 -0.014 0.000 1.395 326 N HN -0.060 nan 8.380 nan 0.000 0.479 327 P HA -0.154 nan 4.420 nan 0.000 0.215 327 P C 1.198 178.455 177.300 -0.071 0.000 1.153 327 P CA 1.853 64.912 63.100 -0.067 0.000 0.853 327 P CB 0.279 31.945 31.700 -0.058 0.000 0.788 328 K N 1.037 121.405 120.400 -0.052 0.000 2.025 328 K HA -0.098 4.223 4.320 0.001 0.000 0.207 328 K C 2.318 178.889 176.600 -0.049 0.000 1.049 328 K CA 1.389 57.643 56.287 -0.055 0.000 0.933 328 K CB -1.395 31.080 32.500 -0.042 0.000 0.714 328 K HN 0.170 nan 8.250 nan 0.000 0.438 329 R N -0.416 120.085 120.500 0.001 0.000 2.115 329 R HA 0.151 4.492 4.340 0.001 0.000 0.226 329 R C 2.414 178.761 176.300 0.078 0.000 1.100 329 R CA 1.270 57.427 56.100 0.096 0.000 0.980 329 R CB -0.469 29.927 30.300 0.159 0.000 0.875 329 R HN 0.448 nan 8.270 nan 0.000 0.445 330 I N 0.659 121.211 120.570 -0.030 0.000 2.252 330 I HA -0.243 3.928 4.170 0.001 0.000 0.245 330 I C 2.602 178.581 176.117 -0.231 0.000 1.102 330 I CA 1.275 62.494 61.300 -0.136 0.000 1.385 330 I CB -0.347 37.536 38.000 -0.194 0.000 1.064 330 I HN 0.141 nan 8.210 nan 0.000 0.414 331 A N 0.159 122.866 122.820 -0.187 0.000 1.933 331 A HA -0.194 4.126 4.320 0.001 0.000 0.218 331 A C 2.380 179.866 177.584 -0.164 0.000 1.175 331 A CA 2.345 54.266 52.037 -0.193 0.000 0.628 331 A CB -1.088 17.821 19.000 -0.152 0.000 0.814 331 A HN 0.375 nan 8.150 nan 0.000 0.444 332 T N 0.340 114.797 114.554 -0.163 0.000 2.720 332 T HA -0.074 4.277 4.350 0.001 0.000 0.268 332 T C 2.158 176.772 174.700 -0.143 0.000 1.037 332 T CA 1.693 63.637 62.100 -0.259 0.000 1.144 332 T CB -0.407 68.151 68.868 -0.517 0.000 0.864 332 T HN 0.599 nan 8.240 nan 0.000 0.444 333 A N 0.427 123.303 122.820 0.092 0.000 2.015 333 A HA 0.087 4.408 4.320 0.001 0.000 0.219 333 A C 2.232 179.997 177.584 0.303 0.000 1.163 333 A CA 0.862 53.115 52.037 0.360 0.000 0.646 333 A CB -0.602 18.686 19.000 0.480 0.000 0.806 333 A HN 0.521 nan 8.150 nan 0.000 0.448 334 I N -0.410 120.165 120.570 0.009 0.000 2.193 334 I HA -0.145 4.025 4.170 0.001 0.000 0.240 334 I C 3.092 179.243 176.117 0.057 0.000 1.084 334 I CA 1.388 62.665 61.300 -0.039 0.000 1.365 334 I CB -0.450 37.322 38.000 -0.380 0.000 1.064 334 I HN 0.492 nan 8.210 nan 0.000 0.410 335 E N 1.425 121.615 120.200 -0.016 0.000 2.077 335 E HA -0.253 4.098 4.350 0.001 0.000 0.193 335 E C 2.062 178.679 176.600 0.028 0.000 0.989 335 E CA 1.516 57.909 56.400 -0.012 0.000 0.800 335 E CB -0.684 28.975 29.700 -0.069 0.000 0.746 335 E HN 0.494 nan 8.360 nan 0.000 0.452 336 K N -0.532 119.891 120.400 0.039 0.000 2.486 336 K HA 0.033 4.353 4.320 0.001 0.000 0.194 336 K C 0.193 176.894 176.600 0.168 0.000 1.033 336 K CA 0.480 56.823 56.287 0.093 0.000 1.004 336 K CB 0.195 32.756 32.500 0.101 0.000 0.798 336 K HN 0.248 nan 8.250 nan 0.000 0.495 337 K N -0.894 119.611 120.400 0.176 0.000 3.035 337 K HA -0.237 4.083 4.320 0.001 0.000 0.262 337 K C 0.696 177.337 176.600 0.068 0.000 1.024 337 K CA 0.291 56.666 56.287 0.148 0.000 0.748 337 K CB -1.451 31.168 32.500 0.198 0.000 1.247 337 K HN 0.336 nan 8.250 nan 0.000 0.482 338 A N -0.112 122.801 122.820 0.156 0.000 2.066 338 A HA 0.319 4.639 4.320 0.001 0.000 0.218 338 A C 0.934 178.553 177.584 0.060 0.000 1.157 338 A CA 1.534 53.714 52.037 0.239 0.000 0.670 338 A CB 0.114 19.308 19.000 0.323 0.000 0.804 338 A HN 0.646 nan 8.150 nan 0.000 0.453 339 A N -0.930 121.629 122.820 -0.435 0.000 2.515 339 A HA 0.580 4.901 4.320 0.001 0.000 0.299 339 A C -1.246 175.407 177.584 -1.551 0.000 1.179 339 A CA 0.220 51.758 52.037 -0.831 0.000 0.656 339 A CB 0.450 19.202 19.000 -0.413 0.000 1.306 339 A HN 0.315 nan 8.150 nan 0.000 0.459 340 D N -1.547 118.097 120.400 -1.260 0.000 2.740 340 D HA 0.532 5.172 4.640 0.001 0.000 0.305 340 D C -0.401 175.464 176.300 -0.724 0.000 1.583 340 D CA 0.738 53.971 54.000 -1.279 0.000 0.790 340 D CB 0.311 40.977 40.800 -0.224 0.000 1.187 340 D HN 1.391 nan 8.370 nan 0.000 0.447 341 A N 0.274 122.623 122.820 -0.785 0.000 2.532 341 A HA 0.549 4.870 4.320 0.001 0.000 0.296 341 A C -1.912 175.689 177.584 0.029 0.000 1.058 341 A CA -0.922 51.042 52.037 -0.121 0.000 0.729 341 A CB 1.286 20.295 19.000 0.014 0.000 1.285 341 A HN 0.204 nan 8.150 nan 0.000 0.396 342 L N 2.366 123.764 121.223 0.291 0.000 2.289 342 L HA 0.731 5.072 4.340 0.001 0.000 0.285 342 L C -0.723 176.202 176.870 0.091 0.000 1.049 342 L CA -0.572 54.419 54.840 0.251 0.000 0.804 342 L CB 1.162 43.352 42.059 0.219 0.000 1.195 342 L HN 0.685 nan 8.230 nan 0.000 0.428 343 L N 5.549 126.811 121.223 0.063 0.000 2.315 343 L HA 0.342 4.683 4.340 0.001 0.000 0.283 343 L C -0.743 176.146 176.870 0.031 0.000 1.089 343 L CA 0.027 54.887 54.840 0.033 0.000 0.833 343 L CB 0.883 42.957 42.059 0.026 0.000 1.170 343 L HN 0.692 nan 8.230 nan 0.000 0.442 344 L N 6.326 127.566 121.223 0.028 0.000 2.259 344 L HA 0.385 4.726 4.340 0.001 0.000 0.288 344 L C -0.601 176.296 176.870 0.045 0.000 1.051 344 L CA 0.031 54.886 54.840 0.025 0.000 0.824 344 L CB 0.231 42.299 42.059 0.015 0.000 1.206 344 L HN 0.525 nan 8.230 nan 0.000 0.429 345 K N 4.756 125.178 120.400 0.037 0.000 2.404 345 K HA 0.230 4.550 4.320 0.001 0.000 0.257 345 K C 1.152 177.771 176.600 0.032 0.000 1.026 345 K CA -0.247 56.066 56.287 0.044 0.000 0.951 345 K CB 1.565 34.084 32.500 0.032 0.000 1.203 345 K HN 0.594 nan 8.250 nan 0.000 0.446 346 V N 0.199 120.140 119.914 0.046 0.000 2.568 346 V HA -0.312 3.808 4.120 0.001 0.000 0.253 346 V C 1.776 177.868 176.094 -0.004 0.000 1.072 346 V CA 2.013 64.328 62.300 0.026 0.000 1.084 346 V CB -0.642 31.202 31.823 0.036 0.000 0.676 346 V HN 0.829 nan 8.190 nan 0.000 0.469 347 N N 0.431 119.130 118.700 -0.001 0.000 2.409 347 N HA -0.176 4.565 4.740 0.001 0.000 0.179 347 N C 1.760 177.261 175.510 -0.014 0.000 1.032 347 N CA 1.549 54.589 53.050 -0.016 0.000 0.898 347 N CB -0.333 38.145 38.487 -0.015 0.000 0.971 347 N HN 0.707 nan 8.380 nan 0.000 0.441 348 Q N 0.259 120.054 119.800 -0.007 0.000 2.123 348 Q HA 0.067 4.407 4.340 0.001 0.000 0.199 348 Q C 1.975 177.967 176.000 -0.013 0.000 0.966 348 Q CA 0.992 56.789 55.803 -0.009 0.000 0.845 348 Q CB 0.199 28.934 28.738 -0.006 0.000 0.907 348 Q HN 0.429 nan 8.270 nan 0.000 0.439 349 I N -1.341 119.221 120.570 -0.013 0.000 3.035 349 I HA 0.062 4.233 4.170 0.001 0.000 0.271 349 I C 1.061 177.168 176.117 -0.018 0.000 1.190 349 I CA 1.053 62.343 61.300 -0.016 0.000 1.472 349 I CB 0.354 38.344 38.000 -0.017 0.000 1.116 349 I HN 0.360 nan 8.210 nan 0.000 0.443 350 G N 0.908 109.695 108.800 -0.022 0.000 2.217 350 G HA2 -0.267 3.694 3.960 0.001 0.000 0.246 350 G HA3 -0.267 3.694 3.960 0.001 0.000 0.246 350 G C 0.509 175.391 174.900 -0.030 0.000 0.990 350 G CA 0.435 45.518 45.100 -0.027 0.000 0.627 350 G HN 0.656 nan 8.290 nan 0.000 0.522 351 T N -2.613 111.928 114.554 -0.022 0.000 2.903 351 T HA 0.665 5.016 4.350 0.001 0.000 0.299 351 T C 0.972 175.665 174.700 -0.012 0.000 1.093 351 T CA 0.060 62.150 62.100 -0.017 0.000 1.002 351 T CB 2.024 70.897 68.868 0.008 0.000 1.127 351 T HN 0.932 nan 8.240 nan 0.000 0.488 352 L N 2.094 123.311 121.223 -0.010 0.000 2.056 352 L HA 0.094 4.435 4.340 0.001 0.000 0.207 352 L C 2.564 179.459 176.870 0.042 0.000 1.078 352 L CA 1.998 56.855 54.840 0.028 0.000 0.749 352 L CB -1.263 40.830 42.059 0.056 0.000 0.901 352 L HN 0.856 nan 8.230 nan 0.000 0.433 353 S N -0.235 115.486 115.700 0.035 0.000 2.359 353 S HA -0.222 4.249 4.470 0.001 0.000 0.224 353 S C 1.757 176.365 174.600 0.013 0.000 1.035 353 S CA 1.725 59.942 58.200 0.028 0.000 1.018 353 S CB -0.355 62.864 63.200 0.031 0.000 0.876 353 S HN 0.578 nan 8.310 nan 0.000 0.448 354 E N 0.934 121.137 120.200 0.006 0.000 2.110 354 E HA -0.068 4.283 4.350 0.001 0.000 0.193 354 E C 2.247 178.838 176.600 -0.015 0.000 0.988 354 E CA 1.183 57.578 56.400 -0.009 0.000 0.804 354 E CB -0.150 29.543 29.700 -0.012 0.000 0.745 354 E HN 0.317 nan 8.360 nan 0.000 0.458 355 S N 0.754 116.453 115.700 -0.001 0.000 2.383 355 S HA -0.102 4.369 4.470 0.001 0.000 0.227 355 S C 2.010 176.604 174.600 -0.009 0.000 1.026 355 S CA 0.715 58.915 58.200 -0.000 0.000 0.981 355 S CB -0.105 63.114 63.200 0.031 0.000 0.818 355 S HN 0.192 nan 8.310 nan 0.000 0.472 356 I N 1.331 121.906 120.570 0.008 0.000 2.202 356 I HA -0.191 3.979 4.170 0.001 0.000 0.242 356 I C 2.469 178.570 176.117 -0.026 0.000 1.091 356 I CA 1.198 62.501 61.300 0.006 0.000 1.368 356 I CB -0.211 37.804 38.000 0.026 0.000 1.058 356 I HN 0.183 nan 8.210 nan 0.000 0.410 357 K N 1.791 122.174 120.400 -0.028 0.000 2.057 357 K HA -0.135 4.185 4.320 0.001 0.000 0.207 357 K C 2.022 178.572 176.600 -0.082 0.000 1.049 357 K CA 1.799 58.060 56.287 -0.044 0.000 0.931 357 K CB -0.443 32.036 32.500 -0.035 0.000 0.714 357 K HN 0.252 nan 8.250 nan 0.000 0.440 358 A N 0.738 123.506 122.820 -0.088 0.000 1.883 358 A HA -0.113 4.208 4.320 0.001 0.000 0.217 358 A C 2.447 179.914 177.584 -0.195 0.000 1.186 358 A CA 2.348 54.310 52.037 -0.124 0.000 0.624 358 A CB -1.272 17.673 19.000 -0.092 0.000 0.822 358 A HN 0.486 nan 8.150 nan 0.000 0.444 359 A N -1.033 121.656 122.820 -0.219 0.000 1.898 359 A HA -0.190 4.130 4.320 0.001 0.000 0.216 359 A C 2.123 179.384 177.584 -0.538 0.000 1.181 359 A CA 1.645 53.419 52.037 -0.438 0.000 0.620 359 A CB -0.564 18.223 19.000 -0.355 0.000 0.819 359 A HN 0.661 nan 8.150 nan 0.000 0.442 360 Q N -0.376 119.297 119.800 -0.212 0.000 2.084 360 Q HA -0.192 4.149 4.340 0.001 0.000 0.202 360 Q C 1.471 177.428 176.000 -0.072 0.000 0.978 360 Q CA 1.541 57.315 55.803 -0.049 0.000 0.844 360 Q CB -0.217 28.527 28.738 0.010 0.000 0.898 360 Q HN 0.600 nan 8.270 nan 0.000 0.426 361 D N -0.109 120.209 120.400 -0.135 0.000 2.117 361 D HA -0.098 4.543 4.640 0.001 0.000 0.197 361 D C 2.016 178.185 176.300 -0.218 0.000 0.987 361 D CA 1.021 54.927 54.000 -0.156 0.000 0.829 361 D CB -0.221 40.472 40.800 -0.177 0.000 0.961 361 D HN 0.043 nan 8.370 nan 0.000 0.460 362 S N 0.473 115.999 115.700 -0.289 0.000 2.359 362 S HA -0.166 4.305 4.470 0.001 0.000 0.223 362 S C 1.797 176.380 174.600 -0.028 0.000 1.039 362 S CA 0.879 58.912 58.200 -0.279 0.000 1.042 362 S CB -0.420 62.615 63.200 -0.274 0.000 0.915 362 S HN 0.172 nan 8.310 nan 0.000 0.439 363 F N 1.782 121.739 119.950 0.011 0.000 2.216 363 F HA 0.037 4.565 4.527 0.001 0.000 0.300 363 F C 2.562 178.369 175.800 0.012 0.000 1.085 363 F CA 0.067 58.088 58.000 0.035 0.000 1.326 363 F CB -1.352 37.658 39.000 0.016 0.000 1.027 363 F HN 0.185 nan 8.300 nan 0.000 0.497 364 A N -0.085 122.825 122.820 0.151 0.000 1.933 364 A HA 0.013 4.334 4.320 0.001 0.000 0.218 364 A C 2.296 179.900 177.584 0.033 0.000 1.175 364 A CA 1.595 53.668 52.037 0.060 0.000 0.628 364 A CB -1.123 17.880 19.000 0.005 0.000 0.814 364 A HN 0.248 nan 8.150 nan 0.000 0.444 365 A N -1.865 120.950 122.820 -0.008 0.000 2.238 365 A HA 0.412 4.733 4.320 0.001 0.000 0.208 365 A C 1.783 179.481 177.584 0.190 0.000 1.177 365 A CA 1.166 53.200 52.037 -0.004 0.000 0.804 365 A CB -0.992 17.857 19.000 -0.251 0.000 0.823 365 A HN 1.881 nan 8.150 nan 0.000 0.482 366 G N -2.568 106.378 108.800 0.243 0.000 2.159 366 G HA2 -0.271 3.690 3.960 0.001 0.000 0.256 366 G HA3 -0.271 3.690 3.960 0.001 0.000 0.256 366 G C -0.044 175.200 174.900 0.574 0.000 0.977 366 G CA 0.249 45.554 45.100 0.341 0.000 0.652 366 G HN 0.376 nan 8.290 nan 0.000 0.531 367 W N 0.635 122.053 121.300 0.196 0.000 2.093 367 W HA 0.591 5.252 4.660 0.001 0.000 0.352 367 W C 1.141 177.693 176.519 0.055 0.000 1.294 367 W CA 0.281 57.706 57.345 0.134 0.000 1.290 367 W CB 0.171 29.663 29.460 0.054 0.000 1.149 367 W HN 0.427 nan 8.180 nan 0.000 0.606 368 G N -0.148 108.643 108.800 -0.015 0.000 2.522 368 G HA2 0.563 4.524 3.960 0.001 0.000 0.304 368 G HA3 0.563 4.524 3.960 0.001 0.000 0.304 368 G C -1.644 173.338 174.900 0.136 0.000 1.210 368 G CA -0.657 44.395 45.100 -0.079 0.000 0.960 368 G HN 0.278 nan 8.290 nan 0.000 0.497 369 V N 0.766 120.778 119.914 0.164 0.000 2.569 369 V HA 0.398 4.519 4.120 0.001 0.000 0.301 369 V C -0.326 175.817 176.094 0.082 0.000 1.044 369 V CA -0.477 61.858 62.300 0.059 0.000 0.874 369 V CB 1.710 33.444 31.823 -0.148 0.000 1.002 369 V HN 0.806 nan 8.190 nan 0.000 0.424 370 M N 5.495 125.115 119.600 0.032 0.000 2.101 370 M HA 0.568 5.049 4.480 0.001 0.000 0.340 370 M C -1.002 175.307 176.300 0.015 0.000 1.057 370 M CA -0.435 54.863 55.300 -0.003 0.000 0.984 370 M CB 1.342 33.880 32.600 -0.105 0.000 1.560 370 M HN 0.483 nan 8.290 nan 0.000 0.435 371 V N 3.773 123.710 119.914 0.038 0.000 2.614 371 V HA 0.308 4.428 4.120 0.001 0.000 0.291 371 V C 0.112 176.240 176.094 0.056 0.000 1.049 371 V CA -0.017 62.315 62.300 0.054 0.000 1.038 371 V CB 1.462 33.324 31.823 0.066 0.000 0.980 371 V HN 0.894 nan 8.190 nan 0.000 0.481 372 S N 2.598 118.351 115.700 0.089 0.000 2.536 372 S HA 0.511 4.981 4.470 0.001 0.000 0.287 372 S C -0.365 174.368 174.600 0.222 0.000 1.101 372 S CA -0.838 57.452 58.200 0.150 0.000 0.950 372 S CB 0.808 64.099 63.200 0.152 0.000 1.056 372 S HN 0.988 nan 8.310 nan 0.000 0.481 373 H N 2.285 121.385 119.070 0.050 0.000 2.654 373 H HA 0.591 5.147 4.556 0.001 0.000 0.376 373 H C 0.016 175.366 175.328 0.036 0.000 1.503 373 H CA -0.898 55.177 56.048 0.045 0.000 1.464 373 H CB 0.410 30.195 29.762 0.038 0.000 1.565 373 H HN 0.285 nan 8.280 nan 0.000 0.614 374 R N -0.215 120.237 120.500 -0.080 0.000 2.828 374 R HA 0.122 4.463 4.340 0.001 0.000 0.264 374 R C 1.197 177.271 176.300 -0.377 0.000 1.022 374 R CA -0.282 55.700 56.100 -0.197 0.000 1.021 374 R CB 1.407 31.663 30.300 -0.073 0.000 1.163 374 R HN 0.922 nan 8.270 nan 0.000 0.494 375 S N -0.724 114.780 115.700 -0.326 0.000 2.423 375 S HA -0.025 4.446 4.470 0.001 0.000 0.231 375 S C 1.093 175.560 174.600 -0.223 0.000 1.014 375 S CA 0.606 58.565 58.200 -0.402 0.000 0.965 375 S CB -0.060 62.812 63.200 -0.546 0.000 0.785 375 S HN 0.680 nan 8.310 nan 0.000 0.495 376 G N 1.792 110.515 108.800 -0.128 0.000 2.571 376 G HA2 0.520 4.481 3.960 0.001 0.000 0.327 376 G HA3 0.520 4.481 3.960 0.001 0.000 0.327 376 G C -0.402 174.472 174.900 -0.043 0.000 1.008 376 G CA -0.349 44.714 45.100 -0.063 0.000 1.136 376 G HN 0.115 nan 8.290 nan 0.000 0.444 377 E N 0.437 120.621 120.200 -0.026 0.000 2.390 377 E HA 0.731 5.081 4.350 0.001 0.000 0.249 377 E C 0.521 177.139 176.600 0.030 0.000 0.981 377 E CA -0.410 55.997 56.400 0.012 0.000 0.860 377 E CB 2.055 31.780 29.700 0.041 0.000 1.278 377 E HN 0.531 nan 8.360 nan 0.000 0.416 378 T N -2.883 111.699 114.554 0.047 0.000 2.716 378 T HA 0.251 4.602 4.350 0.001 0.000 0.286 378 T C 0.719 175.454 174.700 0.058 0.000 1.052 378 T CA -0.607 61.523 62.100 0.049 0.000 1.024 378 T CB 0.864 69.757 68.868 0.042 0.000 1.349 378 T HN 0.394 nan 8.240 nan 0.000 0.525 379 E N 0.334 120.568 120.200 0.056 0.000 2.478 379 E HA -0.078 4.272 4.350 0.001 0.000 0.198 379 E C 0.221 176.861 176.600 0.067 0.000 1.046 379 E CA 0.181 56.615 56.400 0.057 0.000 0.870 379 E CB -0.339 29.391 29.700 0.051 0.000 0.818 379 E HN 0.712 nan 8.360 nan 0.000 0.527 380 D N 2.183 122.629 120.400 0.076 0.000 2.443 380 D HA -0.040 4.600 4.640 0.001 0.000 0.239 380 D C 0.325 176.696 176.300 0.118 0.000 1.136 380 D CA 0.807 54.867 54.000 0.101 0.000 0.879 380 D CB 1.112 41.973 40.800 0.103 0.000 1.195 380 D HN 0.115 nan 8.370 nan 0.000 0.443 381 T N 1.153 115.785 114.554 0.131 0.000 3.215 381 T HA 0.050 4.400 4.350 0.001 0.000 0.271 381 T C 1.535 176.303 174.700 0.113 0.000 1.012 381 T CA -0.605 61.557 62.100 0.103 0.000 0.899 381 T CB -0.478 68.427 68.868 0.061 0.000 1.089 381 T HN 0.347 nan 8.240 nan 0.000 0.552 382 F N 3.234 123.214 119.950 0.050 0.000 2.091 382 F HA -0.080 4.448 4.527 0.001 0.000 0.299 382 F C 1.864 177.695 175.800 0.051 0.000 1.103 382 F CA 1.816 59.848 58.000 0.053 0.000 1.228 382 F CB -0.245 38.785 39.000 0.050 0.000 0.984 382 F HN 0.375 nan 8.300 nan 0.000 0.477 383 I N -1.460 119.201 120.570 0.153 0.000 2.614 383 I HA -0.064 4.106 4.170 0.001 0.000 0.258 383 I C 2.250 178.344 176.117 -0.037 0.000 1.189 383 I CA 1.242 62.590 61.300 0.079 0.000 1.462 383 I CB -1.186 36.901 38.000 0.145 0.000 1.092 383 I HN 0.107 nan 8.210 nan 0.000 0.442 384 A N 1.967 124.754 122.820 -0.056 0.000 1.877 384 A HA -0.238 4.083 4.320 0.001 0.000 0.216 384 A C 1.817 179.317 177.584 -0.140 0.000 1.186 384 A CA 2.375 54.355 52.037 -0.095 0.000 0.620 384 A CB -0.983 17.965 19.000 -0.088 0.000 0.822 384 A HN 0.523 nan 8.150 nan 0.000 0.443 385 D N -0.795 119.496 120.400 -0.182 0.000 2.144 385 D HA -0.091 4.549 4.640 0.001 0.000 0.200 385 D C 1.782 177.974 176.300 -0.180 0.000 0.978 385 D CA 1.019 54.926 54.000 -0.155 0.000 0.833 385 D CB -0.123 40.563 40.800 -0.189 0.000 0.961 385 D HN 0.325 nan 8.370 nan 0.000 0.470 386 L N 0.310 121.347 121.223 -0.310 0.000 2.046 386 L HA -0.098 4.243 4.340 0.001 0.000 0.208 386 L C 2.077 178.934 176.870 -0.021 0.000 1.077 386 L CA 1.317 56.056 54.840 -0.169 0.000 0.747 386 L CB -0.477 41.525 42.059 -0.095 0.000 0.896 386 L HN 0.018 nan 8.230 nan 0.000 0.432 387 V N -1.474 118.429 119.914 -0.019 0.000 2.548 387 V HA -0.166 3.955 4.120 0.001 0.000 0.249 387 V C 2.310 178.425 176.094 0.035 0.000 1.055 387 V CA 1.558 63.876 62.300 0.030 0.000 1.065 387 V CB 0.159 31.997 31.823 0.026 0.000 0.681 387 V HN 0.325 nan 8.190 nan 0.000 0.462 388 V N 0.743 120.650 119.914 -0.011 0.000 2.307 388 V HA -0.077 4.044 4.120 0.001 0.000 0.245 388 V C 2.752 178.927 176.094 0.135 0.000 1.045 388 V CA 2.043 64.349 62.300 0.011 0.000 1.024 388 V CB -1.490 30.245 31.823 -0.147 0.000 0.651 388 V HN 0.595 nan 8.190 nan 0.000 0.449 389 G N -0.171 108.712 108.800 0.138 0.000 2.440 389 G HA2 -0.221 3.740 3.960 0.001 0.000 0.218 389 G HA3 -0.221 3.740 3.960 0.001 0.000 0.218 389 G C 1.521 176.502 174.900 0.135 0.000 1.154 389 G CA 0.856 46.055 45.100 0.166 0.000 0.767 389 G HN 0.479 nan 8.290 nan 0.000 0.552 390 L N -0.968 120.333 121.223 0.130 0.000 2.552 390 L HA 0.209 4.550 4.340 0.001 0.000 0.227 390 L C 1.655 178.655 176.870 0.217 0.000 1.146 390 L CA 0.123 55.078 54.840 0.193 0.000 0.858 390 L CB -0.001 42.177 42.059 0.198 0.000 0.969 390 L HN 0.253 nan 8.230 nan 0.000 0.451 391 R N 0.443 121.021 120.500 0.129 0.000 3.422 391 R HA -0.220 4.121 4.340 0.001 0.000 0.267 391 R C 1.414 177.740 176.300 0.043 0.000 1.074 391 R CA 0.649 56.779 56.100 0.051 0.000 0.718 391 R CB -1.427 28.851 30.300 -0.036 0.000 1.157 391 R HN 0.515 nan 8.270 nan 0.000 0.440 392 T N -4.261 110.395 114.554 0.170 0.000 2.985 392 T HA 0.111 4.461 4.350 0.001 0.000 0.266 392 T C 1.564 176.347 174.700 0.138 0.000 1.076 392 T CA 1.391 63.645 62.100 0.256 0.000 1.135 392 T CB 0.304 69.366 68.868 0.322 0.000 0.890 392 T HN 0.915 nan 8.240 nan 0.000 0.480 393 G N 1.341 110.201 108.800 0.099 0.000 2.179 393 G HA2 -0.211 3.750 3.960 0.001 0.000 0.260 393 G HA3 -0.211 3.750 3.960 0.001 0.000 0.260 393 G C -0.124 174.879 174.900 0.171 0.000 0.977 393 G CA 0.312 45.467 45.100 0.091 0.000 0.641 393 G HN 1.099 nan 8.290 nan 0.000 0.533 394 Q N -1.142 118.767 119.800 0.182 0.000 2.352 394 Q HA 0.782 5.123 4.340 0.001 0.000 0.270 394 Q C -1.121 174.956 176.000 0.128 0.000 1.006 394 Q CA -1.099 54.832 55.803 0.213 0.000 0.880 394 Q CB 2.271 31.149 28.738 0.233 0.000 1.392 394 Q HN 0.766 nan 8.270 nan 0.000 0.401 395 I N 1.445 122.107 120.570 0.154 0.000 2.802 395 I HA 0.546 4.716 4.170 0.001 0.000 0.298 395 I C -1.930 174.237 176.117 0.082 0.000 1.176 395 I CA -0.852 60.498 61.300 0.083 0.000 1.025 395 I CB 2.431 40.477 38.000 0.078 0.000 1.243 395 I HN 0.815 nan 8.210 nan 0.000 0.424 396 K N 3.726 124.119 120.400 -0.012 0.000 2.323 396 K HA 0.508 4.829 4.320 0.001 0.000 0.259 396 K C -0.767 175.596 176.600 -0.395 0.000 0.947 396 K CA -0.602 55.635 56.287 -0.084 0.000 0.819 396 K CB 1.993 34.478 32.500 -0.024 0.000 1.109 396 K HN 0.488 nan 8.250 nan 0.000 0.429 397 T N 1.528 115.761 114.554 -0.534 0.000 3.475 397 T HA 0.380 4.731 4.350 0.001 0.000 0.310 397 T C -0.143 174.249 174.700 -0.514 0.000 0.963 397 T CA 0.327 61.976 62.100 -0.752 0.000 0.985 397 T CB -0.193 68.558 68.868 -0.194 0.000 1.198 397 T HN 1.143 nan 8.240 nan 0.000 0.508 398 G N 0.977 109.528 108.800 -0.414 0.000 2.381 398 G HA2 0.418 4.379 3.960 0.001 0.000 0.672 398 G HA3 0.418 4.379 3.960 0.001 0.000 0.672 398 G C -0.179 174.697 174.900 -0.040 0.000 1.324 398 G CA -0.362 44.731 45.100 -0.011 0.000 0.975 398 G HN 0.720 nan 8.290 nan 0.000 0.593 399 A N 0.544 123.343 122.820 -0.035 0.000 2.475 399 A HA 0.617 4.938 4.320 0.001 0.000 0.239 399 A C -1.046 176.364 177.584 -0.291 0.000 1.087 399 A CA 0.107 52.033 52.037 -0.184 0.000 0.779 399 A CB -0.024 18.849 19.000 -0.211 0.000 1.036 399 A HN 0.823 nan 8.150 nan 0.000 0.506 400 P HA 0.367 nan 4.420 nan 0.000 0.220 400 P C -0.665 176.358 177.300 -0.462 0.000 1.778 400 P CA 0.754 63.612 63.100 -0.402 0.000 0.912 400 P CB -0.399 31.074 31.700 -0.379 0.000 1.861 401 A N 1.087 123.698 122.820 -0.348 0.000 2.547 401 A HA 0.726 5.047 4.320 0.001 0.000 0.297 401 A C -0.752 176.790 177.584 -0.070 0.000 1.056 401 A CA -0.732 51.196 52.037 -0.182 0.000 0.688 401 A CB 1.269 20.163 19.000 -0.177 0.000 1.282 401 A HN 0.181 nan 8.150 nan 0.000 0.400 402 R N 0.818 121.311 120.500 -0.011 0.000 1.124 402 R HA -0.104 4.237 4.340 0.001 0.000 0.425 402 R C 0.353 176.660 176.300 0.012 0.000 1.336 402 R CA 0.538 56.645 56.100 0.011 0.000 0.984 402 R CB -1.396 28.914 30.300 0.016 0.000 3.079 402 R HN 0.812 nan 8.270 nan 0.000 0.509 403 S N 1.612 117.325 115.700 0.022 0.000 2.522 403 S HA -0.109 4.361 4.470 0.001 0.000 0.227 403 S C 1.629 176.249 174.600 0.035 0.000 0.986 403 S CA 0.954 59.169 58.200 0.026 0.000 0.929 403 S CB -0.000 63.217 63.200 0.028 0.000 0.769 403 S HN 0.713 nan 8.310 nan 0.000 0.529 404 E N 1.759 121.983 120.200 0.039 0.000 2.333 404 E HA -0.154 4.197 4.350 0.001 0.000 0.198 404 E C 1.380 178.019 176.600 0.066 0.000 1.007 404 E CA 0.751 57.183 56.400 0.053 0.000 0.845 404 E CB -0.058 29.673 29.700 0.051 0.000 0.766 404 E HN 0.344 nan 8.360 nan 0.000 0.507 405 R N 0.146 120.676 120.500 0.051 0.000 2.087 405 R HA 0.169 4.510 4.340 0.001 0.000 0.213 405 R C 2.476 178.788 176.300 0.021 0.000 1.137 405 R CA 0.130 56.254 56.100 0.041 0.000 1.022 405 R CB -0.786 29.525 30.300 0.017 0.000 0.920 405 R HN 0.172 nan 8.270 nan 0.000 0.451 406 L N 1.498 122.727 121.223 0.011 0.000 2.131 406 L HA 0.001 4.341 4.340 0.001 0.000 0.210 406 L C 2.439 179.329 176.870 0.034 0.000 1.092 406 L CA 1.695 56.544 54.840 0.016 0.000 0.759 406 L CB -1.596 40.469 42.059 0.010 0.000 0.903 406 L HN 0.133 nan 8.230 nan 0.000 0.435 407 A N -0.067 122.775 122.820 0.036 0.000 1.917 407 A HA -0.267 4.054 4.320 0.001 0.000 0.219 407 A C 2.376 179.983 177.584 0.038 0.000 1.182 407 A CA 1.972 54.033 52.037 0.040 0.000 0.633 407 A CB -0.345 18.682 19.000 0.046 0.000 0.819 407 A HN 0.266 nan 8.150 nan 0.000 0.448 408 K N -0.240 120.184 120.400 0.040 0.000 2.062 408 K HA 0.101 4.422 4.320 0.001 0.000 0.205 408 K C 1.785 178.400 176.600 0.025 0.000 1.051 408 K CA 1.120 57.423 56.287 0.028 0.000 0.941 408 K CB -0.453 32.066 32.500 0.031 0.000 0.719 408 K HN 0.506 nan 8.250 nan 0.000 0.440 409 L N 0.857 122.121 121.223 0.069 0.000 2.093 409 L HA -0.158 4.182 4.340 0.001 0.000 0.208 409 L C 1.717 178.681 176.870 0.157 0.000 1.085 409 L CA 0.894 55.833 54.840 0.165 0.000 0.755 409 L CB -0.517 41.636 42.059 0.157 0.000 0.904 409 L HN 0.200 nan 8.230 nan 0.000 0.435 410 N N 0.063 118.815 118.700 0.087 0.000 2.104 410 N HA -0.244 4.497 4.740 0.001 0.000 0.190 410 N C 1.896 177.421 175.510 0.026 0.000 1.024 410 N CA 1.230 54.320 53.050 0.066 0.000 0.853 410 N CB -0.272 38.243 38.487 0.045 0.000 1.008 410 N HN 0.305 nan 8.380 nan 0.000 0.424 411 Q N 0.800 120.599 119.800 -0.002 0.000 2.167 411 Q HA 0.080 4.421 4.340 0.001 0.000 0.202 411 Q C 1.945 177.875 176.000 -0.117 0.000 0.970 411 Q CA 0.948 56.730 55.803 -0.036 0.000 0.855 411 Q CB -0.264 28.459 28.738 -0.024 0.000 0.911 411 Q HN 0.381 nan 8.270 nan 0.000 0.438 412 L N -0.467 120.639 121.223 -0.194 0.000 2.093 412 L HA -0.151 4.190 4.340 0.001 0.000 0.208 412 L C 2.259 178.899 176.870 -0.383 0.000 1.085 412 L CA 0.798 55.356 54.840 -0.470 0.000 0.755 412 L CB -0.446 41.030 42.059 -0.972 0.000 0.904 412 L HN 0.279 nan 8.230 nan 0.000 0.435 413 L N -0.527 120.648 121.223 -0.079 0.000 2.013 413 L HA -0.262 4.079 4.340 0.001 0.000 0.212 413 L C 2.911 179.775 176.870 -0.011 0.000 1.073 413 L CA 1.493 56.377 54.840 0.072 0.000 0.753 413 L CB -0.519 41.616 42.059 0.127 0.000 0.890 413 L HN 0.243 nan 8.230 nan 0.000 0.432 414 R N -0.022 120.459 120.500 -0.032 0.000 2.083 414 R HA -0.159 4.182 4.340 0.001 0.000 0.237 414 R C 2.263 178.524 176.300 -0.066 0.000 1.137 414 R CA 1.513 57.596 56.100 -0.029 0.000 0.951 414 R CB -0.546 29.747 30.300 -0.011 0.000 0.851 414 R HN 0.332 nan 8.270 nan 0.000 0.434 415 I N 0.841 121.324 120.570 -0.145 0.000 2.163 415 I HA -0.299 3.871 4.170 0.001 0.000 0.243 415 I C 2.699 178.656 176.117 -0.268 0.000 1.085 415 I CA 1.509 62.636 61.300 -0.287 0.000 1.347 415 I CB -0.369 37.321 38.000 -0.515 0.000 1.044 415 I HN 0.293 nan 8.210 nan 0.000 0.408 416 E N 1.166 121.242 120.200 -0.207 0.000 2.058 416 E HA -0.283 4.068 4.350 0.001 0.000 0.194 416 E C 2.053 178.624 176.600 -0.049 0.000 0.997 416 E CA 1.614 57.951 56.400 -0.105 0.000 0.801 416 E CB 0.001 29.694 29.700 -0.012 0.000 0.746 416 E HN 0.457 nan 8.360 nan 0.000 0.450 417 E N 0.229 120.410 120.200 -0.031 0.000 2.058 417 E HA -0.258 4.092 4.350 0.001 0.000 0.194 417 E C 2.085 178.681 176.600 -0.008 0.000 0.997 417 E CA 1.384 57.780 56.400 -0.008 0.000 0.801 417 E CB -0.096 29.604 29.700 0.001 0.000 0.746 417 E HN 0.337 nan 8.360 nan 0.000 0.450 418 E N 0.611 120.801 120.200 -0.017 0.000 2.097 418 E HA -0.218 4.133 4.350 0.001 0.000 0.196 418 E C 1.914 178.520 176.600 0.010 0.000 1.000 418 E CA 1.030 57.434 56.400 0.008 0.000 0.804 418 E CB -0.030 29.689 29.700 0.033 0.000 0.740 418 E HN 0.222 nan 8.360 nan 0.000 0.454 419 L N -0.253 120.956 121.223 -0.023 0.000 2.492 419 L HA 0.109 4.450 4.340 0.001 0.000 0.223 419 L C 1.668 178.557 176.870 0.031 0.000 1.132 419 L CA 0.217 55.054 54.840 -0.005 0.000 0.850 419 L CB -0.529 41.486 42.059 -0.074 0.000 0.966 419 L HN 0.451 nan 8.230 nan 0.000 0.454 420 G N 0.915 109.728 108.800 0.022 0.000 2.685 420 G HA2 -0.435 3.526 3.960 0.001 0.000 0.329 420 G HA3 -0.435 3.526 3.960 0.001 0.000 0.329 420 G C 0.612 175.537 174.900 0.043 0.000 1.271 420 G CA 0.679 45.798 45.100 0.031 0.000 1.003 420 G HN 0.316 nan 8.290 nan 0.000 0.549 421 D N 1.463 121.891 120.400 0.046 0.000 2.350 421 D HA 0.016 4.657 4.640 0.001 0.000 0.216 421 D C 2.272 178.613 176.300 0.068 0.000 0.968 421 D CA 1.369 55.400 54.000 0.052 0.000 0.894 421 D CB -0.806 40.021 40.800 0.044 0.000 0.909 421 D HN 0.723 nan 8.370 nan 0.000 0.520 422 N N 0.119 118.871 118.700 0.087 0.000 2.370 422 N HA 0.358 5.099 4.740 0.001 0.000 0.198 422 N C 0.471 176.083 175.510 0.170 0.000 1.156 422 N CA 0.559 53.689 53.050 0.133 0.000 0.839 422 N CB 0.128 38.718 38.487 0.172 0.000 0.989 422 N HN 0.202 nan 8.380 nan 0.000 0.468 423 A N 0.104 122.993 122.820 0.114 0.000 2.371 423 A HA 0.764 5.085 4.320 0.001 0.000 0.311 423 A C -0.125 177.524 177.584 0.109 0.000 1.068 423 A CA -0.472 51.631 52.037 0.110 0.000 0.744 423 A CB 1.311 20.342 19.000 0.053 0.000 1.239 423 A HN 1.060 nan 8.150 nan 0.000 0.435 424 V N -0.259 119.727 119.914 0.121 0.000 2.823 424 V HA 0.861 4.981 4.120 0.001 0.000 0.312 424 V C -0.719 175.496 176.094 0.201 0.000 1.072 424 V CA -0.931 61.453 62.300 0.141 0.000 0.937 424 V CB 1.534 33.416 31.823 0.099 0.000 1.013 424 V HN 0.977 nan 8.190 nan 0.000 0.430 425 F N 3.507 123.504 119.950 0.077 0.000 2.404 425 F HA 0.771 5.298 4.527 0.001 0.000 0.339 425 F C 1.190 177.053 175.800 0.105 0.000 1.105 425 F CA -0.008 58.056 58.000 0.106 0.000 1.087 425 F CB 1.949 41.015 39.000 0.109 0.000 1.143 425 F HN 0.850 nan 8.300 nan 0.000 0.491 426 A N 4.864 127.377 122.820 -0.511 0.000 1.969 426 A HA 0.228 4.549 4.320 0.001 0.000 0.218 426 A C 1.950 179.328 177.584 -0.344 0.000 1.169 426 A CA 1.295 53.132 52.037 -0.333 0.000 0.635 426 A CB -1.608 17.275 19.000 -0.194 0.000 0.810 426 A HN 1.595 nan 8.150 nan 0.000 0.445 427 G N 0.617 108.924 108.800 -0.821 0.000 2.684 427 G HA2 -0.453 3.508 3.960 0.001 0.000 0.332 427 G HA3 -0.453 3.508 3.960 0.001 0.000 0.332 427 G C 0.886 175.832 174.900 0.077 0.000 1.306 427 G CA 0.970 45.967 45.100 -0.171 0.000 1.002 427 G HN 0.953 nan 8.290 nan 0.000 0.545 428 E N 1.422 121.704 120.200 0.137 0.000 2.472 428 E HA -0.046 4.304 4.350 0.001 0.000 0.200 428 E C 1.307 177.972 176.600 0.108 0.000 1.046 428 E CA 1.227 57.740 56.400 0.189 0.000 0.871 428 E CB -0.271 29.503 29.700 0.124 0.000 0.806 428 E HN 0.510 nan 8.360 nan 0.000 0.533 429 N N 0.834 119.564 118.700 0.050 0.000 2.276 429 N HA 0.044 4.785 4.740 0.001 0.000 0.212 429 N C 1.083 176.549 175.510 -0.073 0.000 1.127 429 N CA -0.039 52.988 53.050 -0.038 0.000 0.834 429 N CB -0.224 38.258 38.487 -0.008 0.000 1.014 429 N HN 0.280 nan 8.380 nan 0.000 0.491 430 F N 0.924 120.878 119.950 0.007 0.000 2.147 430 F HA -0.256 4.272 4.527 0.001 0.000 0.301 430 F C 2.300 178.140 175.800 0.065 0.000 1.084 430 F CA 1.479 59.501 58.000 0.036 0.000 1.268 430 F CB -0.842 38.233 39.000 0.125 0.000 1.009 430 F HN 0.115 nan 8.300 nan 0.000 0.486 431 H N -0.513 117.972 119.070 -0.975 0.000 2.353 431 H HA -0.081 4.476 4.556 0.001 0.000 0.300 431 H C 0.564 175.681 175.328 -0.351 0.000 1.090 431 H CA 2.250 57.903 56.048 -0.658 0.000 1.327 431 H CB -0.517 28.727 29.762 -0.863 0.000 1.383 431 H HN 0.566 nan 8.280 nan 0.000 0.508 432 H N -0.714 118.233 119.070 -0.204 0.000 2.507 432 H HA 0.227 4.784 4.556 0.001 0.000 0.271 432 H C 1.583 176.812 175.328 -0.164 0.000 1.224 432 H CA -0.010 55.930 56.048 -0.181 0.000 1.000 432 H CB 0.660 30.369 29.762 -0.089 0.000 1.663 432 H HN 0.515 nan 8.280 nan 0.000 0.548 433 G N 0.810 109.582 108.800 -0.045 0.000 2.475 433 G HA2 -0.317 3.644 3.960 0.001 0.000 0.220 433 G HA3 -0.317 3.644 3.960 0.001 0.000 0.220 433 G C 1.552 176.363 174.900 -0.148 0.000 1.125 433 G CA 1.104 46.170 45.100 -0.056 0.000 0.755 433 G HN 0.595 nan 8.290 nan 0.000 0.565 434 D N 0.395 120.596 120.400 -0.332 0.000 2.351 434 D HA -0.066 4.575 4.640 0.001 0.000 0.216 434 D C 1.694 177.796 176.300 -0.331 0.000 0.968 434 D CA 0.756 54.433 54.000 -0.539 0.000 0.899 434 D CB -0.163 39.805 40.800 -1.387 0.000 0.907 434 D HN 0.336 nan 8.370 nan 0.000 0.514 435 K N -0.476 119.795 120.400 -0.215 0.000 2.374 435 K HA 0.137 4.458 4.320 0.001 0.000 0.202 435 K C 0.194 176.736 176.600 -0.097 0.000 1.040 435 K CA -0.690 55.505 56.287 -0.153 0.000 1.085 435 K CB 0.737 33.145 32.500 -0.152 0.000 0.873 435 K HN -0.010 nan 8.250 nan 0.000 0.539 436 L N 2.340 123.514 121.223 -0.083 0.000 2.500 436 L HA 0.053 4.393 4.340 0.001 0.000 0.272 436 L C -0.162 176.680 176.870 -0.047 0.000 1.149 436 L CA 0.542 55.353 54.840 -0.049 0.000 0.897 436 L CB -0.626 41.412 42.059 -0.035 0.000 1.178 436 L HN 0.220 nan 8.230 nan 0.000 0.473 437 L N 5.534 126.737 121.223 -0.033 0.000 3.790 437 L HA -0.239 4.101 4.340 0.001 0.000 0.602 437 L C 0.168 177.011 176.870 -0.045 0.000 1.172 437 L CA 1.038 55.860 54.840 -0.030 0.000 0.901 437 L CB -2.807 39.243 42.059 -0.015 0.000 1.342 437 L HN 1.179 nan 8.230 nan 0.000 0.820 438 H N 0.000 119.039 119.070 -0.051 0.000 2.539 438 H HA 0.000 4.557 4.556 0.001 0.000 0.296 438 H CA 0.000 nan 56.048 nan 0.000 1.023 438 H CB 0.000 nan 29.762 nan 0.000 1.292 438 H HN 0.000 nan 8.280 nan 0.000 0.496