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 2g67_1_B DATA FIRST_RESID 56 DATA SEQUENCE ISNYINTIPV EEQPEYPGNL ELERRIRSAI RWNAIMTVLR ASKKDLELGG DATA SEQUENCE HMASFQSSAT IYDVCFNHFF RARNEQDGGD LVYFQGHISP GVYARAFLEG DATA SEQUENCE RLTQEQLDNF RQEVHGNGLS SYPHPKLMPE FWQFPTVSMG LGPIGAIYQA DATA SEQUENCE KFLKYLEHRG LKDTSKQTVY AFLGDGEMDE PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINELGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A 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 56 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.132 176.117 0.026 0.000 1.063 56 I CA 0.000 61.313 61.300 0.022 0.000 1.566 56 I CB 0.000 38.018 38.000 0.030 0.000 1.214 57 S N 2.394 118.109 115.700 0.026 0.000 2.745 57 S HA 0.532 5.005 4.470 0.005 0.000 0.292 57 S C -0.150 174.486 174.600 0.060 0.000 1.133 57 S CA -0.902 57.316 58.200 0.031 0.000 0.998 57 S CB 1.199 64.407 63.200 0.013 0.000 1.087 57 S HN 0.721 nan 8.310 nan 0.000 0.551 58 N N 0.395 119.137 118.700 0.070 0.000 2.395 58 N HA -0.005 4.738 4.740 0.005 0.000 0.246 58 N C -0.611 174.998 175.510 0.165 0.000 1.246 58 N CA 0.263 53.384 53.050 0.118 0.000 0.879 58 N CB -0.139 38.412 38.487 0.106 0.000 1.098 58 N HN 0.701 nan 8.380 nan 0.000 0.444 59 Y N 2.366 122.707 120.300 0.069 0.000 3.267 59 Y HA 0.106 4.659 4.550 0.005 0.000 0.381 59 Y C 0.411 176.413 175.900 0.171 0.000 1.023 59 Y CA 0.012 58.157 58.100 0.075 0.000 2.048 59 Y CB -0.870 37.682 38.460 0.155 0.000 2.239 59 Y HN 0.308 nan 8.280 nan 0.000 0.410 60 I N -2.911 117.710 120.570 0.085 0.000 3.174 60 I HA 0.508 4.681 4.170 0.005 0.000 0.313 60 I C -0.450 175.639 176.117 -0.047 0.000 1.155 60 I CA -1.683 59.687 61.300 0.116 0.000 0.977 60 I CB 1.315 39.432 38.000 0.196 0.000 1.248 60 I HN -0.233 nan 8.210 nan 0.000 0.453 61 N N 1.741 120.432 118.700 -0.014 0.000 2.345 61 N HA 0.067 4.809 4.740 0.005 0.000 0.243 61 N C 0.826 176.313 175.510 -0.039 0.000 1.246 61 N CA 0.204 53.216 53.050 -0.063 0.000 0.863 61 N CB 0.615 39.105 38.487 0.005 0.000 1.096 61 N HN 0.691 nan 8.380 nan 0.000 0.446 62 T N 1.000 115.513 114.554 -0.069 0.000 2.857 62 T HA 0.084 4.436 4.350 0.005 0.000 0.266 62 T C 0.975 175.664 174.700 -0.019 0.000 1.048 62 T CA 0.727 62.797 62.100 -0.050 0.000 1.139 62 T CB 0.012 68.833 68.868 -0.077 0.000 0.874 62 T HN 0.391 nan 8.240 nan 0.000 0.455 63 I N 4.078 124.640 120.570 -0.014 0.000 2.297 63 I HA 0.235 4.408 4.170 0.005 0.000 0.291 63 I C -2.103 174.038 176.117 0.039 0.000 1.033 63 I CA -2.425 58.882 61.300 0.012 0.000 1.253 63 I CB 1.221 39.230 38.000 0.014 0.000 1.396 63 I HN 0.027 nan 8.210 nan 0.000 0.476 64 P HA 0.083 nan 4.420 nan 0.000 0.274 64 P C 1.015 178.359 177.300 0.073 0.000 1.237 64 P CA -0.330 62.809 63.100 0.065 0.000 0.793 64 P CB 1.486 33.221 31.700 0.059 0.000 0.977 65 V N 1.039 121.004 119.914 0.086 0.000 2.469 65 V HA -0.216 3.906 4.120 0.005 0.000 0.251 65 V C 2.088 178.227 176.094 0.075 0.000 1.064 65 V CA 2.076 64.428 62.300 0.088 0.000 1.066 65 V CB -1.493 30.388 31.823 0.096 0.000 0.667 65 V HN 0.633 nan 8.190 nan 0.000 0.461 66 E N 0.918 121.157 120.200 0.066 0.000 2.512 66 E HA -0.144 4.209 4.350 0.005 0.000 0.195 66 E C 1.477 178.109 176.600 0.053 0.000 1.083 66 E CA 0.672 57.106 56.400 0.056 0.000 0.873 66 E CB -0.043 29.687 29.700 0.050 0.000 0.897 66 E HN 0.822 nan 8.360 nan 0.000 0.514 67 E N 0.723 120.958 120.200 0.058 0.000 2.641 67 E HA -0.016 4.336 4.350 0.005 0.000 0.224 67 E C 0.038 176.678 176.600 0.067 0.000 0.951 67 E CA -0.147 56.285 56.400 0.054 0.000 1.102 67 E CB 0.522 30.248 29.700 0.043 0.000 1.091 67 E HN 0.130 nan 8.360 nan 0.000 0.507 68 Q N 3.072 122.920 119.800 0.081 0.000 2.314 68 Q HA 0.222 4.565 4.340 0.005 0.000 0.257 68 Q C -2.083 173.994 176.000 0.127 0.000 0.975 68 Q CA -2.032 53.837 55.803 0.110 0.000 0.933 68 Q CB 0.837 29.643 28.738 0.113 0.000 1.195 68 Q HN 0.048 nan 8.270 nan 0.000 0.426 69 P HA -0.068 nan 4.420 nan 0.000 0.267 69 P C -0.683 176.703 177.300 0.142 0.000 1.200 69 P CA 0.123 63.325 63.100 0.171 0.000 0.772 69 P CB 0.633 32.494 31.700 0.268 0.000 0.855 70 E N 1.706 121.948 120.200 0.070 0.000 2.376 70 E HA -0.049 4.304 4.350 0.005 0.000 0.266 70 E C -0.732 175.817 176.600 -0.085 0.000 1.009 70 E CA -0.437 55.978 56.400 0.025 0.000 0.902 70 E CB 0.107 29.812 29.700 0.008 0.000 0.972 70 E HN 0.335 nan 8.360 nan 0.000 0.439 71 Y N 7.699 127.875 120.300 -0.206 0.000 2.677 71 Y HA 0.035 4.588 4.550 0.005 0.000 0.335 71 Y C -1.420 174.261 175.900 -0.365 0.000 1.162 71 Y CA -1.633 56.218 58.100 -0.417 0.000 1.483 71 Y CB 0.859 39.168 38.460 -0.251 0.000 1.209 71 Y HN 0.541 nan 8.280 nan 0.000 0.528 72 P HA 0.039 nan 4.420 nan 0.000 0.225 72 P C 0.471 177.565 177.300 -0.343 0.000 1.156 72 P CA 0.753 63.517 63.100 -0.559 0.000 0.787 72 P CB 0.418 31.794 31.700 -0.539 0.000 0.802 73 G N 0.413 108.878 108.800 -0.557 0.000 2.531 73 G HA2 0.176 4.138 3.960 0.005 0.000 0.313 73 G HA3 0.176 4.138 3.960 0.005 0.000 0.313 73 G C -0.568 174.511 174.900 0.297 0.000 1.238 73 G CA -0.450 44.743 45.100 0.155 0.000 0.994 73 G HN 0.018 nan 8.290 nan 0.000 0.493 74 N N 0.703 119.585 118.700 0.304 0.000 2.482 74 N HA 0.105 4.848 4.740 0.005 0.000 0.242 74 N C 1.693 177.221 175.510 0.031 0.000 1.100 74 N CA -0.241 52.842 53.050 0.055 0.000 0.946 74 N CB 0.618 38.975 38.487 -0.216 0.000 1.227 74 N HN 0.402 nan 8.380 nan 0.000 0.508 75 L N 2.388 123.681 121.223 0.117 0.000 1.990 75 L HA -0.238 4.105 4.340 0.005 0.000 0.213 75 L C 1.637 178.496 176.870 -0.019 0.000 1.072 75 L CA 1.507 56.367 54.840 0.032 0.000 0.755 75 L CB -0.162 41.873 42.059 -0.040 0.000 0.889 75 L HN 0.417 nan 8.230 nan 0.000 0.432 76 E N -0.091 120.088 120.200 -0.035 0.000 2.153 76 E HA -0.176 4.177 4.350 0.005 0.000 0.194 76 E C 2.156 178.707 176.600 -0.080 0.000 0.988 76 E CA 0.881 57.256 56.400 -0.041 0.000 0.811 76 E CB -0.242 29.437 29.700 -0.035 0.000 0.746 76 E HN 0.383 nan 8.360 nan 0.000 0.466 77 L N 0.537 121.657 121.223 -0.173 0.000 2.131 77 L HA -0.099 4.244 4.340 0.005 0.000 0.206 77 L C 1.847 178.561 176.870 -0.260 0.000 1.087 77 L CA 1.139 55.812 54.840 -0.279 0.000 0.767 77 L CB -0.082 41.665 42.059 -0.520 0.000 0.917 77 L HN 0.177 nan 8.230 nan 0.000 0.441 78 E N -0.647 119.422 120.200 -0.219 0.000 2.150 78 E HA -0.225 4.128 4.350 0.005 0.000 0.193 78 E C 2.125 178.746 176.600 0.035 0.000 0.985 78 E CA 0.374 56.748 56.400 -0.043 0.000 0.814 78 E CB -0.014 29.754 29.700 0.113 0.000 0.752 78 E HN 0.278 nan 8.360 nan 0.000 0.466 79 R N 1.426 121.943 120.500 0.029 0.000 2.080 79 R HA -0.089 4.254 4.340 0.005 0.000 0.236 79 R C 2.213 178.569 176.300 0.094 0.000 1.137 79 R CA 1.358 57.504 56.100 0.076 0.000 0.943 79 R CB -0.300 30.040 30.300 0.067 0.000 0.846 79 R HN 0.138 nan 8.270 nan 0.000 0.431 80 R N -0.020 120.516 120.500 0.061 0.000 2.091 80 R HA -0.113 4.230 4.340 0.005 0.000 0.238 80 R C 2.459 178.870 176.300 0.185 0.000 1.136 80 R CA 1.645 57.805 56.100 0.100 0.000 0.959 80 R CB -0.402 29.926 30.300 0.046 0.000 0.856 80 R HN 0.285 nan 8.270 nan 0.000 0.437 81 I N 0.092 120.737 120.570 0.124 0.000 2.113 81 I HA -0.319 3.854 4.170 0.005 0.000 0.238 81 I C 2.827 179.092 176.117 0.247 0.000 1.070 81 I CA 1.304 62.734 61.300 0.216 0.000 1.332 81 I CB -0.355 37.692 38.000 0.078 0.000 1.044 81 I HN 0.192 nan 8.210 nan 0.000 0.402 82 R N 0.899 121.499 120.500 0.167 0.000 2.091 82 R HA -0.179 4.164 4.340 0.005 0.000 0.238 82 R C 2.310 178.679 176.300 0.116 0.000 1.136 82 R CA 2.133 58.318 56.100 0.142 0.000 0.959 82 R CB -0.198 30.166 30.300 0.107 0.000 0.856 82 R HN 0.218 nan 8.270 nan 0.000 0.437 83 S N 0.305 116.076 115.700 0.118 0.000 2.399 83 S HA -0.104 4.368 4.470 0.005 0.000 0.231 83 S C 1.884 176.587 174.600 0.172 0.000 1.022 83 S CA 1.131 59.396 58.200 0.108 0.000 0.983 83 S CB -0.094 63.211 63.200 0.175 0.000 0.803 83 S HN 0.593 nan 8.310 nan 0.000 0.480 84 A N 0.822 123.761 122.820 0.198 0.000 2.067 84 A HA 0.164 4.487 4.320 0.005 0.000 0.217 84 A C 1.933 179.659 177.584 0.238 0.000 1.156 84 A CA 0.556 52.694 52.037 0.169 0.000 0.683 84 A CB -0.463 18.541 19.000 0.007 0.000 0.808 84 A HN 0.490 nan 8.150 nan 0.000 0.455 85 I N -0.889 119.818 120.570 0.228 0.000 2.277 85 I HA -0.189 3.984 4.170 0.005 0.000 0.243 85 I C 2.619 178.905 176.117 0.281 0.000 1.094 85 I CA 0.765 62.207 61.300 0.237 0.000 1.393 85 I CB -0.369 37.772 38.000 0.234 0.000 1.078 85 I HN 0.269 nan 8.210 nan 0.000 0.417 86 R N 0.336 120.979 120.500 0.238 0.000 2.096 86 R HA -0.246 4.097 4.340 0.005 0.000 0.240 86 R C 2.208 178.636 176.300 0.214 0.000 1.139 86 R CA 1.986 58.203 56.100 0.194 0.000 0.952 86 R CB -0.781 29.453 30.300 -0.109 0.000 0.854 86 R HN 0.567 nan 8.270 nan 0.000 0.436 87 W N 2.623 123.961 121.300 0.064 0.000 2.329 87 W HA -0.239 4.424 4.660 0.005 0.000 0.324 87 W C 1.413 177.975 176.519 0.072 0.000 1.222 87 W CA 1.633 59.017 57.345 0.066 0.000 1.270 87 W CB -0.490 29.005 29.460 0.059 0.000 1.167 87 W HN 0.109 nan 8.180 nan 0.000 0.467 88 N N 0.845 119.694 118.700 0.248 0.000 2.094 88 N HA -0.186 4.557 4.740 0.005 0.000 0.191 88 N C 1.852 177.367 175.510 0.009 0.000 1.023 88 N CA 2.352 55.499 53.050 0.162 0.000 0.857 88 N CB -1.184 37.465 38.487 0.271 0.000 1.013 88 N HN 0.234 nan 8.380 nan 0.000 0.426 89 A N 1.019 123.854 122.820 0.025 0.000 1.908 89 A HA -0.106 4.217 4.320 0.005 0.000 0.218 89 A C 2.381 179.906 177.584 -0.098 0.000 1.181 89 A CA 1.093 53.099 52.037 -0.051 0.000 0.627 89 A CB -0.700 18.333 19.000 0.055 0.000 0.818 89 A HN 0.236 nan 8.150 nan 0.000 0.445 90 I N -0.883 119.629 120.570 -0.096 0.000 2.202 90 I HA -0.244 3.929 4.170 0.005 0.000 0.242 90 I C 2.583 178.524 176.117 -0.293 0.000 1.091 90 I CA 1.028 62.224 61.300 -0.172 0.000 1.368 90 I CB -0.213 37.672 38.000 -0.193 0.000 1.058 90 I HN 0.248 nan 8.210 nan 0.000 0.410 91 M N -0.100 119.241 119.600 -0.432 0.000 2.108 91 M HA -0.181 4.302 4.480 0.005 0.000 0.261 91 M C 2.440 178.579 176.300 -0.269 0.000 1.066 91 M CA 1.894 56.919 55.300 -0.459 0.000 1.107 91 M CB -1.732 30.517 32.600 -0.585 0.000 1.356 91 M HN 0.219 nan 8.290 nan 0.000 0.406 92 T N 0.891 115.362 114.554 -0.138 0.000 2.699 92 T HA -0.113 4.240 4.350 0.005 0.000 0.268 92 T C 2.054 176.621 174.700 -0.221 0.000 1.036 92 T CA 1.661 63.675 62.100 -0.144 0.000 1.147 92 T CB -0.377 68.293 68.868 -0.331 0.000 0.862 92 T HN 0.186 nan 8.240 nan 0.000 0.446 93 V N 1.505 121.281 119.914 -0.230 0.000 2.346 93 V HA -0.047 4.076 4.120 0.005 0.000 0.244 93 V C 2.512 178.595 176.094 -0.018 0.000 1.037 93 V CA 1.257 63.508 62.300 -0.082 0.000 1.029 93 V CB -0.788 31.012 31.823 -0.039 0.000 0.663 93 V HN 0.436 nan 8.190 nan 0.000 0.454 94 L N -0.408 120.767 121.223 -0.080 0.000 2.012 94 L HA -0.212 4.131 4.340 0.005 0.000 0.210 94 L C 2.769 179.603 176.870 -0.061 0.000 1.073 94 L CA 1.813 56.608 54.840 -0.074 0.000 0.748 94 L CB -0.895 41.084 42.059 -0.133 0.000 0.891 94 L HN 0.222 nan 8.230 nan 0.000 0.431 95 R N 0.211 120.654 120.500 -0.095 0.000 2.103 95 R HA -0.195 4.148 4.340 0.005 0.000 0.242 95 R C 2.461 178.761 176.300 0.000 0.000 1.142 95 R CA 1.552 57.608 56.100 -0.074 0.000 0.960 95 R CB -0.488 29.752 30.300 -0.099 0.000 0.858 95 R HN 0.436 nan 8.270 nan 0.000 0.439 96 A N 0.401 123.254 122.820 0.055 0.000 1.902 96 A HA -0.146 4.177 4.320 0.005 0.000 0.217 96 A C 2.225 179.849 177.584 0.068 0.000 1.181 96 A CA 1.764 53.871 52.037 0.116 0.000 0.623 96 A CB -0.379 18.787 19.000 0.277 0.000 0.818 96 A HN 0.271 nan 8.150 nan 0.000 0.443 97 S N 0.217 115.946 115.700 0.049 0.000 2.351 97 S HA -0.187 4.286 4.470 0.005 0.000 0.220 97 S C 1.929 176.537 174.600 0.013 0.000 1.035 97 S CA 1.491 59.709 58.200 0.030 0.000 1.031 97 S CB -0.372 62.839 63.200 0.018 0.000 0.928 97 S HN 0.580 nan 8.310 nan 0.000 0.433 98 K N 1.325 121.725 120.400 -0.001 0.000 2.127 98 K HA -0.216 4.107 4.320 0.005 0.000 0.212 98 K C 2.002 178.602 176.600 -0.000 0.000 1.050 98 K CA 1.365 57.648 56.287 -0.007 0.000 0.929 98 K CB -0.331 32.158 32.500 -0.020 0.000 0.715 98 K HN 0.345 nan 8.250 nan 0.000 0.457 99 K N 0.587 120.991 120.400 0.006 0.000 2.228 99 K HA -0.210 4.113 4.320 0.005 0.000 0.205 99 K C 0.500 177.104 176.600 0.007 0.000 1.045 99 K CA 1.333 57.624 56.287 0.007 0.000 0.931 99 K CB -0.321 32.188 32.500 0.015 0.000 0.727 99 K HN 0.212 nan 8.250 nan 0.000 0.458 100 D N -0.364 120.042 120.400 0.009 0.000 2.772 100 D HA -0.176 4.467 4.640 0.005 0.000 0.233 100 D C -0.454 175.850 176.300 0.008 0.000 1.143 100 D CA 0.524 54.529 54.000 0.008 0.000 0.700 100 D CB -1.136 39.666 40.800 0.004 0.000 1.076 100 D HN 0.229 nan 8.370 nan 0.000 0.430 101 L N 0.379 121.608 121.223 0.009 0.000 3.017 101 L HA 0.199 4.542 4.340 0.005 0.000 0.255 101 L C 0.429 177.303 176.870 0.006 0.000 1.247 101 L CA -0.450 54.394 54.840 0.007 0.000 1.038 101 L CB 0.204 42.267 42.059 0.006 0.000 1.380 101 L HN 0.011 nan 8.230 nan 0.000 0.548 102 E N 0.827 121.033 120.200 0.009 0.000 2.210 102 E HA -0.230 4.123 4.350 0.005 0.000 0.201 102 E C 0.752 177.356 176.600 0.007 0.000 1.339 102 E CA 0.460 56.867 56.400 0.011 0.000 0.699 102 E CB -1.416 28.289 29.700 0.008 0.000 1.126 102 E HN 0.565 nan 8.360 nan 0.000 0.355 103 L N -0.812 120.417 121.223 0.011 0.000 2.249 103 L HA 0.111 4.454 4.340 0.005 0.000 0.207 103 L C 1.501 178.372 176.870 0.002 0.000 1.090 103 L CA 0.845 55.680 54.840 -0.009 0.000 0.802 103 L CB -0.184 41.870 42.059 -0.008 0.000 0.947 103 L HN 0.583 nan 8.230 nan 0.000 0.453 104 G N -0.240 108.591 108.800 0.052 0.000 2.725 104 G HA2 0.182 4.145 3.960 0.005 0.000 0.220 104 G HA3 0.182 4.145 3.960 0.005 0.000 0.220 104 G C -0.014 175.001 174.900 0.191 0.000 1.357 104 G CA -0.439 44.717 45.100 0.092 0.000 0.866 104 G HN 0.825 nan 8.290 nan 0.000 0.548 105 G N -1.545 107.433 108.800 0.296 0.000 2.535 105 G HA2 0.541 4.504 3.960 0.005 0.000 0.662 105 G HA3 0.541 4.504 3.960 0.005 0.000 0.662 105 G C -0.858 174.328 174.900 0.476 0.000 1.417 105 G CA 0.251 45.655 45.100 0.507 0.000 0.866 105 G HN 1.458 nan 8.290 nan 0.000 0.647 106 H N 1.128 120.354 119.070 0.261 0.000 2.616 106 H HA 0.690 5.250 4.556 0.005 0.000 0.353 106 H C 0.858 176.297 175.328 0.186 0.000 1.170 106 H CA -0.961 55.223 56.048 0.226 0.000 1.212 106 H CB 2.014 31.949 29.762 0.287 0.000 1.653 106 H HN 0.475 nan 8.280 nan 0.000 0.537 107 M N 0.117 119.903 119.600 0.310 0.000 2.227 107 M HA 0.182 4.665 4.480 0.005 0.000 0.226 107 M C 2.270 178.743 176.300 0.288 0.000 1.423 107 M CA 0.469 55.922 55.300 0.255 0.000 1.055 107 M CB 0.217 32.915 32.600 0.164 0.000 1.572 107 M HN 0.609 nan 8.290 nan 0.000 0.567 108 A N 0.773 123.751 122.820 0.265 0.000 1.873 108 A HA -0.218 4.105 4.320 0.005 0.000 0.218 108 A C 2.280 180.036 177.584 0.287 0.000 1.193 108 A CA 2.667 54.857 52.037 0.256 0.000 0.629 108 A CB -1.118 18.016 19.000 0.223 0.000 0.826 108 A HN 0.471 nan 8.150 nan 0.000 0.447 109 S N -1.851 114.053 115.700 0.340 0.000 2.383 109 S HA -0.182 4.291 4.470 0.005 0.000 0.229 109 S C 1.742 176.515 174.600 0.288 0.000 1.030 109 S CA 1.827 60.215 58.200 0.312 0.000 1.002 109 S CB -0.499 62.908 63.200 0.344 0.000 0.829 109 S HN 0.586 nan 8.310 nan 0.000 0.467 110 F N 2.076 122.115 119.950 0.147 0.000 2.187 110 F HA 0.139 4.669 4.527 0.005 0.000 0.295 110 F C 2.483 178.387 175.800 0.174 0.000 1.091 110 F CA 1.293 59.372 58.000 0.131 0.000 1.308 110 F CB -0.746 38.298 39.000 0.072 0.000 1.030 110 F HN 0.159 nan 8.300 nan 0.000 0.487 111 Q N 0.391 120.223 119.800 0.053 0.000 2.197 111 Q HA -0.184 4.159 4.340 0.005 0.000 0.207 111 Q C 2.492 178.595 176.000 0.171 0.000 0.984 111 Q CA 1.896 57.708 55.803 0.016 0.000 0.869 111 Q CB -0.896 27.957 28.738 0.191 0.000 0.906 111 Q HN 0.595 nan 8.270 nan 0.000 0.426 112 S N -0.188 115.639 115.700 0.211 0.000 2.387 112 S HA -0.070 4.403 4.470 0.005 0.000 0.226 112 S C 2.044 176.657 174.600 0.021 0.000 1.026 112 S CA 1.237 59.589 58.200 0.253 0.000 0.972 112 S CB -0.190 63.144 63.200 0.223 0.000 0.814 112 S HN 0.376 nan 8.310 nan 0.000 0.477 113 S N 1.233 116.948 115.700 0.024 0.000 2.502 113 S HA 0.520 4.993 4.470 0.005 0.000 0.215 113 S C 1.991 176.613 174.600 0.036 0.000 1.009 113 S CA 0.346 58.562 58.200 0.027 0.000 0.908 113 S CB -0.363 62.983 63.200 0.243 0.000 0.801 113 S HN 0.689 nan 8.310 nan 0.000 0.505 114 A N 2.489 125.168 122.820 -0.235 0.000 1.944 114 A HA -0.227 4.096 4.320 0.005 0.000 0.222 114 A C 2.335 179.907 177.584 -0.020 0.000 1.237 114 A CA 2.751 54.524 52.037 -0.439 0.000 0.668 114 A CB -2.048 16.406 19.000 -0.911 0.000 0.830 114 A HN 0.598 nan 8.150 nan 0.000 0.471 115 T N -0.060 114.469 114.554 -0.041 0.000 2.788 115 T HA -0.064 4.289 4.350 0.005 0.000 0.268 115 T C 1.770 176.499 174.700 0.048 0.000 1.044 115 T CA 1.406 63.523 62.100 0.028 0.000 1.139 115 T CB -0.421 68.450 68.868 0.005 0.000 0.867 115 T HN 0.476 nan 8.240 nan 0.000 0.454 116 I N -0.188 120.378 120.570 -0.007 0.000 2.226 116 I HA -0.192 3.981 4.170 0.005 0.000 0.245 116 I C 2.121 178.184 176.117 -0.090 0.000 1.100 116 I CA 1.567 62.851 61.300 -0.026 0.000 1.374 116 I CB -0.380 37.593 38.000 -0.044 0.000 1.057 116 I HN 0.221 nan 8.210 nan 0.000 0.413 117 Y N 0.468 120.817 120.300 0.082 0.000 2.263 117 Y HA -0.235 4.318 4.550 0.005 0.000 0.292 117 Y C 2.282 178.282 175.900 0.166 0.000 1.130 117 Y CA 1.537 59.683 58.100 0.077 0.000 1.179 117 Y CB -0.569 38.107 38.460 0.360 0.000 0.998 117 Y HN 0.166 nan 8.280 nan 0.000 0.532 118 D N -0.318 120.307 120.400 0.374 0.000 2.092 118 D HA -0.182 4.461 4.640 0.005 0.000 0.193 118 D C 2.189 178.640 176.300 0.252 0.000 0.994 118 D CA 1.553 55.753 54.000 0.333 0.000 0.828 118 D CB -0.172 40.774 40.800 0.244 0.000 0.963 118 D HN 0.057 nan 8.370 nan 0.000 0.450 119 V N -0.207 119.822 119.914 0.191 0.000 2.392 119 V HA -0.310 3.813 4.120 0.005 0.000 0.249 119 V C 2.652 178.830 176.094 0.140 0.000 1.059 119 V CA 1.502 63.974 62.300 0.288 0.000 1.051 119 V CB -0.468 31.522 31.823 0.278 0.000 0.658 119 V HN 0.467 nan 8.190 nan 0.000 0.455 120 C N -0.958 118.142 119.300 -0.333 0.000 2.446 120 C HA -0.078 4.385 4.460 0.005 0.000 0.277 120 C C 2.480 176.987 174.990 -0.805 0.000 1.275 120 C CA 0.536 59.008 59.018 -0.909 0.000 1.727 120 C CB -1.151 25.323 27.740 -2.110 0.000 2.010 120 C HN 0.534 nan 8.230 nan 0.000 0.486 121 F N 1.638 121.342 119.950 -0.411 0.000 2.293 121 F HA -0.052 4.478 4.527 0.005 0.000 0.300 121 F C 2.267 178.027 175.800 -0.066 0.000 1.086 121 F CA 1.249 59.229 58.000 -0.034 0.000 1.375 121 F CB -0.472 38.616 39.000 0.147 0.000 1.045 121 F HN 0.280 nan 8.300 nan 0.000 0.516 122 N N -1.463 117.282 118.700 0.074 0.000 2.395 122 N HA -0.044 4.699 4.740 0.005 0.000 0.175 122 N C 0.872 176.001 175.510 -0.634 0.000 1.029 122 N CA 1.026 53.945 53.050 -0.219 0.000 0.897 122 N CB -0.100 38.303 38.487 -0.138 0.000 0.991 122 N HN 0.394 nan 8.380 nan 0.000 0.441 123 H N -2.745 116.234 119.070 -0.152 0.000 3.182 123 H HA 0.227 4.786 4.556 0.005 0.000 0.254 123 H C 0.089 174.925 175.328 -0.821 0.000 1.197 123 H CA -0.035 55.756 56.048 -0.428 0.000 1.061 123 H CB 0.502 29.998 29.762 -0.444 0.000 1.722 123 H HN 0.071 nan 8.280 nan 0.000 0.662 124 F N -0.574 119.333 119.950 -0.072 0.000 2.083 124 F HA 0.166 4.696 4.527 0.005 0.000 0.259 124 F C 0.367 176.222 175.800 0.092 0.000 0.953 124 F CA -0.472 57.495 58.000 -0.055 0.000 1.156 124 F CB -0.085 38.765 39.000 -0.249 0.000 1.297 124 F HN -0.161 nan 8.300 nan 0.000 0.733 125 F N 4.433 124.438 119.950 0.092 0.000 2.477 125 F HA 0.048 4.578 4.527 0.005 0.000 0.392 125 F C 0.753 176.611 175.800 0.096 0.000 1.028 125 F CA -0.251 57.772 58.000 0.038 0.000 1.069 125 F CB -0.869 38.035 39.000 -0.160 0.000 0.970 125 F HN -0.182 nan 8.300 nan 0.000 0.540 126 R N 2.419 123.119 120.500 0.333 0.000 2.308 126 R HA 0.656 4.999 4.340 0.005 0.000 0.305 126 R C 0.161 176.573 176.300 0.186 0.000 1.053 126 R CA -0.606 55.638 56.100 0.239 0.000 0.957 126 R CB 0.953 31.392 30.300 0.231 0.000 1.022 126 R HN 0.639 nan 8.270 nan 0.000 0.461 127 A N 2.753 125.670 122.820 0.161 0.000 2.252 127 A HA 0.349 4.672 4.320 0.005 0.000 0.305 127 A C 0.064 177.687 177.584 0.064 0.000 1.097 127 A CA -0.710 51.392 52.037 0.108 0.000 0.849 127 A CB 0.506 19.560 19.000 0.090 0.000 1.142 127 A HN 0.822 nan 8.150 nan 0.000 0.499 128 R N 0.119 120.638 120.500 0.032 0.000 2.697 128 R HA 0.121 4.464 4.340 0.005 0.000 0.265 128 R C -0.181 176.085 176.300 -0.057 0.000 1.009 128 R CA 1.333 57.428 56.100 -0.008 0.000 1.099 128 R CB -0.068 30.231 30.300 -0.002 0.000 0.965 128 R HN 1.004 nan 8.270 nan 0.000 0.428 129 N N -0.690 117.932 118.700 -0.131 0.000 3.039 129 N HA 0.019 4.762 4.740 0.005 0.000 0.257 129 N C -0.297 175.117 175.510 -0.160 0.000 1.497 129 N CA -0.892 52.011 53.050 -0.244 0.000 0.861 129 N CB 0.645 38.677 38.487 -0.759 0.000 1.479 129 N HN 0.596 nan 8.380 nan 0.000 0.547 130 E N -0.914 119.200 120.200 -0.144 0.000 2.118 130 E HA -0.260 4.093 4.350 0.005 0.000 0.195 130 E C 0.660 177.223 176.600 -0.062 0.000 0.992 130 E CA 1.677 58.036 56.400 -0.067 0.000 0.804 130 E CB 0.076 29.755 29.700 -0.034 0.000 0.741 130 E HN 0.539 nan 8.360 nan 0.000 0.458 131 Q N 0.559 120.302 119.800 -0.095 0.000 2.163 131 Q HA 0.046 4.389 4.340 0.005 0.000 0.198 131 Q C 0.404 176.377 176.000 -0.045 0.000 0.954 131 Q CA 1.322 57.091 55.803 -0.057 0.000 0.851 131 Q CB 0.066 28.775 28.738 -0.048 0.000 0.928 131 Q HN 0.476 nan 8.270 nan 0.000 0.459 132 D N -3.060 117.301 120.400 -0.064 0.000 2.825 132 D HA 0.350 4.993 4.640 0.005 0.000 0.327 132 D C 0.568 176.853 176.300 -0.025 0.000 1.277 132 D CA -0.317 53.666 54.000 -0.029 0.000 0.950 132 D CB -0.062 40.730 40.800 -0.013 0.000 1.438 132 D HN -0.092 nan 8.370 nan 0.000 0.526 133 G N -1.685 107.121 108.800 0.010 0.000 2.920 133 G HA2 0.481 4.444 3.960 0.005 0.000 0.208 133 G HA3 0.481 4.444 3.960 0.005 0.000 0.208 133 G C 0.948 175.870 174.900 0.036 0.000 1.159 133 G CA 0.440 45.554 45.100 0.022 0.000 0.784 133 G HN 1.106 nan 8.290 nan 0.000 0.535 134 G N 0.060 108.882 108.800 0.037 0.000 2.615 134 G HA2 -0.188 3.775 3.960 0.005 0.000 0.218 134 G HA3 -0.188 3.775 3.960 0.005 0.000 0.218 134 G C -0.945 174.021 174.900 0.109 0.000 1.339 134 G CA -0.322 44.822 45.100 0.073 0.000 0.884 134 G HN 0.212 nan 8.290 nan 0.000 0.559 135 D N 0.488 120.977 120.400 0.149 0.000 2.302 135 D HA 0.445 5.088 4.640 0.005 0.000 0.248 135 D C 0.609 177.001 176.300 0.153 0.000 1.094 135 D CA 0.077 54.188 54.000 0.185 0.000 0.897 135 D CB 1.091 42.098 40.800 0.345 0.000 1.200 135 D HN 0.457 nan 8.370 nan 0.000 0.429 136 L N 2.051 123.385 121.223 0.186 0.000 2.270 136 L HA 0.242 4.585 4.340 0.005 0.000 0.286 136 L C -0.281 176.716 176.870 0.212 0.000 1.059 136 L CA -0.756 54.246 54.840 0.269 0.000 0.839 136 L CB 0.808 43.028 42.059 0.268 0.000 1.221 136 L HN -0.051 nan 8.230 nan 0.000 0.431 137 V N 3.333 123.275 119.914 0.047 0.000 2.383 137 V HA 0.155 4.278 4.120 0.005 0.000 0.275 137 V C -0.428 175.564 176.094 -0.169 0.000 1.036 137 V CA -0.408 61.747 62.300 -0.241 0.000 0.889 137 V CB 0.803 31.887 31.823 -1.232 0.000 0.985 137 V HN 0.386 nan 8.190 nan 0.000 0.459 138 Y N 4.917 125.186 120.300 -0.051 0.000 2.802 138 Y HA 0.451 5.004 4.550 0.005 0.000 0.330 138 Y C 0.225 176.202 175.900 0.129 0.000 1.193 138 Y CA -1.164 56.988 58.100 0.086 0.000 1.427 138 Y CB -0.246 38.228 38.460 0.024 0.000 1.357 138 Y HN 0.502 nan 8.280 nan 0.000 0.501 139 F N 0.978 121.077 119.950 0.248 0.000 2.578 139 F HA 0.060 4.590 4.527 0.005 0.000 0.376 139 F C 1.021 176.893 175.800 0.119 0.000 1.085 139 F CA -0.289 57.802 58.000 0.152 0.000 1.260 139 F CB 0.413 39.435 39.000 0.037 0.000 1.095 139 F HN 0.325 nan 8.300 nan 0.000 0.573 140 Q N 1.830 121.846 119.800 0.360 0.000 2.304 140 Q HA 0.021 4.363 4.340 0.005 0.000 0.301 140 Q C 1.422 177.454 176.000 0.053 0.000 1.063 140 Q CA 0.453 56.376 55.803 0.199 0.000 0.947 140 Q CB 0.599 29.403 28.738 0.110 0.000 1.201 140 Q HN 1.004 nan 8.270 nan 0.000 0.389 141 G N 2.074 110.906 108.800 0.054 0.000 2.443 141 G HA2 -0.236 3.727 3.960 0.005 0.000 0.219 141 G HA3 -0.236 3.727 3.960 0.005 0.000 0.219 141 G C 0.800 175.739 174.900 0.065 0.000 1.131 141 G CA 0.521 45.579 45.100 -0.070 0.000 0.775 141 G HN 0.819 nan 8.290 nan 0.000 0.547 142 H N 0.211 119.214 119.070 -0.111 0.000 2.533 142 H HA 0.163 4.721 4.556 0.005 0.000 0.271 142 H C 1.387 176.723 175.328 0.013 0.000 1.000 142 H CA 0.004 55.984 56.048 -0.113 0.000 1.149 142 H CB -0.403 29.163 29.762 -0.327 0.000 1.375 142 H HN 0.527 nan 8.280 nan 0.000 0.582 143 I N -0.964 119.542 120.570 -0.107 0.000 3.877 143 I HA 0.266 4.439 4.170 0.005 0.000 0.332 143 I C 1.681 177.610 176.117 -0.313 0.000 1.525 143 I CA -0.198 61.024 61.300 -0.130 0.000 1.146 143 I CB 0.374 38.356 38.000 -0.028 0.000 1.137 143 I HN 0.062 nan 8.210 nan 0.000 0.424 144 S N 1.155 116.734 115.700 -0.201 0.000 2.383 144 S HA 0.122 4.595 4.470 0.005 0.000 0.227 144 S C -0.458 173.868 174.600 -0.458 0.000 1.026 144 S CA 0.780 58.811 58.200 -0.281 0.000 0.981 144 S CB -1.641 61.418 63.200 -0.234 0.000 0.818 144 S HN 0.340 nan 8.310 nan 0.000 0.472 145 P HA 0.074 nan 4.420 nan 0.000 0.222 145 P C 1.687 178.725 177.300 -0.438 0.000 1.147 145 P CA 1.450 64.366 63.100 -0.307 0.000 0.790 145 P CB -0.628 30.878 31.700 -0.324 0.000 0.780 146 G N -0.662 107.636 108.800 -0.837 0.000 2.421 146 G HA2 -0.157 3.806 3.960 0.005 0.000 0.217 146 G HA3 -0.157 3.806 3.960 0.005 0.000 0.217 146 G C 1.539 175.998 174.900 -0.736 0.000 1.143 146 G CA 0.341 44.589 45.100 -1.421 0.000 0.784 146 G HN 0.150 nan 8.290 nan 0.000 0.541 147 V N 0.054 119.623 119.914 -0.574 0.000 2.323 147 V HA -0.116 4.006 4.120 0.005 0.000 0.244 147 V C 2.418 178.422 176.094 -0.149 0.000 1.041 147 V CA 1.114 63.190 62.300 -0.373 0.000 1.025 147 V CB -0.668 30.945 31.823 -0.351 0.000 0.656 147 V HN 0.345 nan 8.190 nan 0.000 0.451 148 Y N 0.976 121.212 120.300 -0.106 0.000 2.128 148 Y HA -0.234 4.318 4.550 0.005 0.000 0.284 148 Y C 2.601 178.429 175.900 -0.120 0.000 1.154 148 Y CA 0.928 58.955 58.100 -0.120 0.000 1.149 148 Y CB -1.561 36.815 38.460 -0.139 0.000 0.976 148 Y HN 0.206 nan 8.280 nan 0.000 0.505 149 A N 0.377 123.198 122.820 0.002 0.000 1.859 149 A HA -0.303 4.020 4.320 0.005 0.000 0.217 149 A C 2.467 180.093 177.584 0.071 0.000 1.198 149 A CA 2.480 54.533 52.037 0.026 0.000 0.629 149 A CB -0.895 18.100 19.000 -0.008 0.000 0.830 149 A HN 0.468 nan 8.150 nan 0.000 0.446 150 R N -0.491 119.988 120.500 -0.035 0.000 2.075 150 R HA -0.015 4.327 4.340 0.005 0.000 0.232 150 R C 2.291 178.541 176.300 -0.083 0.000 1.126 150 R CA 1.483 57.531 56.100 -0.087 0.000 0.963 150 R CB -0.509 29.621 30.300 -0.284 0.000 0.858 150 R HN 0.404 nan 8.270 nan 0.000 0.435 151 A N 1.021 123.814 122.820 -0.045 0.000 1.892 151 A HA -0.233 4.090 4.320 0.005 0.000 0.218 151 A C 2.012 179.602 177.584 0.010 0.000 1.188 151 A CA 1.570 53.614 52.037 0.013 0.000 0.631 151 A CB -0.967 18.137 19.000 0.173 0.000 0.822 151 A HN 0.569 nan 8.150 nan 0.000 0.447 152 F N 0.118 120.000 119.950 -0.114 0.000 2.095 152 F HA -0.172 4.358 4.527 0.005 0.000 0.298 152 F C 1.828 177.569 175.800 -0.097 0.000 1.104 152 F CA 1.753 59.667 58.000 -0.143 0.000 1.232 152 F CB -0.536 38.348 39.000 -0.194 0.000 0.987 152 F HN 0.149 nan 8.300 nan 0.000 0.475 153 L N 0.825 121.958 121.223 -0.149 0.000 2.042 153 L HA -0.216 4.127 4.340 0.005 0.000 0.210 153 L C 2.157 178.918 176.870 -0.182 0.000 1.076 153 L CA 1.894 56.619 54.840 -0.192 0.000 0.749 153 L CB -1.018 41.045 42.059 0.007 0.000 0.893 153 L HN 0.231 nan 8.230 nan 0.000 0.432 154 E N -0.700 119.381 120.200 -0.199 0.000 2.526 154 E HA 0.059 4.412 4.350 0.005 0.000 0.198 154 E C 1.255 177.757 176.600 -0.164 0.000 1.091 154 E CA 0.515 56.757 56.400 -0.263 0.000 0.880 154 E CB -0.302 29.190 29.700 -0.347 0.000 0.873 154 E HN 0.551 nan 8.360 nan 0.000 0.527 155 G N 2.574 111.267 108.800 -0.179 0.000 2.179 155 G HA2 -0.353 3.610 3.960 0.005 0.000 0.257 155 G HA3 -0.353 3.610 3.960 0.005 0.000 0.257 155 G C 0.730 175.545 174.900 -0.142 0.000 1.010 155 G CA 0.659 45.663 45.100 -0.160 0.000 0.736 155 G HN 0.442 nan 8.290 nan 0.000 0.513 156 R N -0.958 119.460 120.500 -0.136 0.000 2.509 156 R HA 0.579 4.922 4.340 0.005 0.000 0.300 156 R C 0.321 176.573 176.300 -0.080 0.000 0.985 156 R CA -0.122 55.919 56.100 -0.099 0.000 1.092 156 R CB 0.492 30.737 30.300 -0.092 0.000 1.237 156 R HN 0.398 nan 8.270 nan 0.000 0.546 157 L N 1.243 122.431 121.223 -0.058 0.000 2.482 157 L HA 0.348 4.691 4.340 0.005 0.000 0.263 157 L C -0.155 176.748 176.870 0.054 0.000 0.957 157 L CA -1.017 53.781 54.840 -0.071 0.000 0.836 157 L CB 2.595 44.577 42.059 -0.128 0.000 1.324 157 L HN 0.062 nan 8.230 nan 0.000 0.406 158 T N -2.452 112.095 114.554 -0.011 0.000 2.874 158 T HA 0.130 4.483 4.350 0.005 0.000 0.281 158 T C 0.699 175.384 174.700 -0.024 0.000 0.994 158 T CA -0.407 61.720 62.100 0.044 0.000 1.015 158 T CB 1.799 70.657 68.868 -0.018 0.000 1.028 158 T HN 0.759 nan 8.240 nan 0.000 0.523 159 Q N 0.160 119.975 119.800 0.025 0.000 2.084 159 Q HA -0.211 4.132 4.340 0.005 0.000 0.202 159 Q C 2.099 177.937 176.000 -0.270 0.000 0.978 159 Q CA 1.766 57.368 55.803 -0.334 0.000 0.844 159 Q CB -0.172 28.519 28.738 -0.077 0.000 0.898 159 Q HN 0.908 nan 8.270 nan 0.000 0.426 160 E N -0.031 120.105 120.200 -0.108 0.000 2.130 160 E HA -0.260 4.093 4.350 0.005 0.000 0.196 160 E C 2.026 178.557 176.600 -0.115 0.000 0.998 160 E CA 1.501 57.856 56.400 -0.074 0.000 0.806 160 E CB 0.046 29.720 29.700 -0.044 0.000 0.738 160 E HN 0.529 nan 8.360 nan 0.000 0.459 161 Q N -0.070 119.630 119.800 -0.167 0.000 2.119 161 Q HA -0.125 4.218 4.340 0.005 0.000 0.201 161 Q C 2.424 178.273 176.000 -0.251 0.000 0.972 161 Q CA 0.916 56.595 55.803 -0.207 0.000 0.847 161 Q CB -0.001 28.588 28.738 -0.249 0.000 0.903 161 Q HN 0.361 nan 8.270 nan 0.000 0.433 162 L N 0.766 121.771 121.223 -0.364 0.000 2.046 162 L HA -0.211 4.132 4.340 0.005 0.000 0.208 162 L C 1.692 178.502 176.870 -0.100 0.000 1.077 162 L CA 0.932 55.537 54.840 -0.392 0.000 0.747 162 L CB -0.396 41.102 42.059 -0.934 0.000 0.896 162 L HN 0.223 nan 8.230 nan 0.000 0.432 163 D N -0.129 120.244 120.400 -0.046 0.000 2.219 163 D HA -0.117 4.526 4.640 0.005 0.000 0.205 163 D C 1.277 177.606 176.300 0.049 0.000 0.970 163 D CA 0.882 54.919 54.000 0.062 0.000 0.851 163 D CB -0.191 40.644 40.800 0.058 0.000 0.943 163 D HN 0.282 nan 8.370 nan 0.000 0.488 164 N N 0.568 119.270 118.700 0.003 0.000 2.362 164 N HA -0.032 4.711 4.740 0.005 0.000 0.211 164 N C -0.070 175.450 175.510 0.016 0.000 1.170 164 N CA -0.226 52.824 53.050 0.000 0.000 0.828 164 N CB -0.329 38.137 38.487 -0.036 0.000 1.034 164 N HN 0.094 nan 8.380 nan 0.000 0.475 165 F N 2.184 122.075 119.950 -0.099 0.000 2.590 165 F HA -0.032 4.498 4.527 0.005 0.000 0.389 165 F C 1.189 176.965 175.800 -0.039 0.000 1.049 165 F CA 0.200 58.149 58.000 -0.084 0.000 1.199 165 F CB 0.178 39.155 39.000 -0.038 0.000 1.058 165 F HN 0.158 nan 8.300 nan 0.000 0.556 166 R N 2.820 122.966 120.500 -0.589 0.000 3.776 166 R HA -0.223 4.119 4.340 0.005 0.000 0.312 166 R C -0.639 175.535 176.300 -0.210 0.000 1.181 166 R CA 1.024 56.837 56.100 -0.478 0.000 0.836 166 R CB -1.759 28.191 30.300 -0.584 0.000 1.324 166 R HN 0.795 nan 8.270 nan 0.000 0.501 167 Q N -0.264 119.455 119.800 -0.135 0.000 3.255 167 Q HA 0.130 4.473 4.340 0.005 0.000 0.231 167 Q C -0.193 175.775 176.000 -0.053 0.000 0.935 167 Q CA -0.264 55.503 55.803 -0.061 0.000 0.714 167 Q CB 1.211 29.945 28.738 -0.007 0.000 1.345 167 Q HN 0.280 nan 8.270 nan 0.000 0.463 168 E N 0.129 120.283 120.200 -0.076 0.000 2.364 168 E HA -0.028 4.325 4.350 0.005 0.000 0.196 168 E C 1.544 178.092 176.600 -0.088 0.000 0.990 168 E CA 0.258 56.617 56.400 -0.069 0.000 0.886 168 E CB 0.625 30.288 29.700 -0.062 0.000 0.866 168 E HN 0.220 nan 8.360 nan 0.000 0.493 169 V N 1.903 121.729 119.914 -0.146 0.000 2.370 169 V HA -0.276 3.847 4.120 0.005 0.000 0.252 169 V C 1.783 177.669 176.094 -0.346 0.000 1.068 169 V CA 1.818 63.954 62.300 -0.272 0.000 1.061 169 V CB -0.602 30.985 31.823 -0.394 0.000 0.656 169 V HN 0.427 nan 8.190 nan 0.000 0.455 170 H N -0.597 118.454 119.070 -0.030 0.000 2.539 170 H HA 0.252 4.810 4.556 0.005 0.000 0.267 170 H C 1.927 177.237 175.328 -0.029 0.000 0.982 170 H CA 0.897 56.928 56.048 -0.027 0.000 1.146 170 H CB 0.281 30.027 29.762 -0.027 0.000 1.382 170 H HN 0.558 nan 8.280 nan 0.000 0.577 171 G N 2.008 110.822 108.800 0.024 0.000 2.176 171 G HA2 -0.287 3.675 3.960 0.005 0.000 0.232 171 G HA3 -0.287 3.675 3.960 0.005 0.000 0.232 171 G C 0.725 175.617 174.900 -0.013 0.000 0.986 171 G CA 0.318 45.421 45.100 0.004 0.000 0.643 171 G HN 0.536 nan 8.290 nan 0.000 0.522 172 N N 0.607 119.297 118.700 -0.016 0.000 2.241 172 N HA 0.361 5.103 4.740 0.005 0.000 0.238 172 N C 0.907 176.367 175.510 -0.083 0.000 1.244 172 N CA 0.680 53.701 53.050 -0.049 0.000 0.880 172 N CB 0.288 38.752 38.487 -0.039 0.000 1.179 172 N HN 0.688 nan 8.380 nan 0.000 0.513 173 G N 0.496 109.250 108.800 -0.076 0.000 2.532 173 G HA2 0.686 4.649 3.960 0.005 0.000 0.291 173 G HA3 0.686 4.649 3.960 0.005 0.000 0.291 173 G C -0.786 174.016 174.900 -0.164 0.000 1.349 173 G CA -0.587 44.449 45.100 -0.107 0.000 1.038 173 G HN 0.138 nan 8.290 nan 0.000 0.518 174 L N -0.443 120.668 121.223 -0.187 0.000 2.401 174 L HA 0.413 4.756 4.340 0.005 0.000 0.266 174 L C 0.023 176.861 176.870 -0.054 0.000 0.991 174 L CA -0.800 53.902 54.840 -0.230 0.000 0.818 174 L CB 2.397 44.065 42.059 -0.652 0.000 1.321 174 L HN 0.398 nan 8.230 nan 0.000 0.413 175 S N -0.261 115.540 115.700 0.168 0.000 2.592 175 S HA 0.094 4.567 4.470 0.005 0.000 0.271 175 S C 1.181 175.857 174.600 0.127 0.000 1.326 175 S CA -0.215 58.082 58.200 0.162 0.000 1.024 175 S CB 1.581 64.995 63.200 0.357 0.000 0.921 175 S HN 0.835 nan 8.310 nan 0.000 0.527 176 S N 0.937 116.515 115.700 -0.204 0.000 2.383 176 S HA -0.102 4.371 4.470 0.005 0.000 0.229 176 S C 0.066 174.364 174.600 -0.504 0.000 1.030 176 S CA 1.128 58.989 58.200 -0.565 0.000 1.002 176 S CB -0.526 62.138 63.200 -0.893 0.000 0.829 176 S HN 0.689 nan 8.310 nan 0.000 0.467 177 Y N 0.341 120.688 120.300 0.078 0.000 2.665 177 Y HA 0.595 5.148 4.550 0.005 0.000 0.336 177 Y C -3.016 172.383 175.900 -0.836 0.000 1.085 177 Y CA -3.281 54.628 58.100 -0.319 0.000 1.096 177 Y CB -0.046 38.246 38.460 -0.280 0.000 1.301 177 Y HN -0.199 nan 8.280 nan 0.000 0.493 178 P HA 0.099 nan 4.420 nan 0.000 0.263 178 P C -1.014 175.827 177.300 -0.764 0.000 1.247 178 P CA 0.706 62.896 63.100 -1.517 0.000 0.876 178 P CB -0.096 30.943 31.700 -1.103 0.000 0.928 179 H N 4.513 123.582 119.070 -0.003 0.000 2.716 179 H HA 0.175 4.734 4.556 0.005 0.000 0.260 179 H C -1.924 173.528 175.328 0.206 0.000 1.280 179 H CA -1.809 54.315 56.048 0.127 0.000 1.506 179 H CB 1.244 31.081 29.762 0.126 0.000 1.514 179 H HN 0.220 nan 8.280 nan 0.000 0.502 180 P HA -0.253 nan 4.420 nan 0.000 0.218 180 P C 1.873 179.266 177.300 0.156 0.000 1.152 180 P CA 1.596 64.809 63.100 0.188 0.000 0.857 180 P CB 0.598 32.349 31.700 0.085 0.000 0.787 181 K N -0.100 120.383 120.400 0.138 0.000 2.063 181 K HA -0.120 4.203 4.320 0.005 0.000 0.208 181 K C 1.829 178.482 176.600 0.088 0.000 1.048 181 K CA 1.542 57.880 56.287 0.084 0.000 0.928 181 K CB -1.002 31.520 32.500 0.036 0.000 0.713 181 K HN 0.096 nan 8.250 nan 0.000 0.442 182 L N -0.924 120.380 121.223 0.134 0.000 2.209 182 L HA 0.162 4.505 4.340 0.005 0.000 0.207 182 L C 1.019 177.971 176.870 0.137 0.000 1.094 182 L CA 0.466 55.377 54.840 0.118 0.000 0.790 182 L CB -0.039 42.098 42.059 0.130 0.000 0.932 182 L HN 0.114 nan 8.230 nan 0.000 0.447 183 M N 0.966 120.693 119.600 0.211 0.000 2.746 183 M HA 0.217 4.700 4.480 0.005 0.000 0.209 183 M C -1.758 174.650 176.300 0.179 0.000 1.077 183 M CA -1.272 54.140 55.300 0.186 0.000 0.695 183 M CB 1.456 34.219 32.600 0.271 0.000 1.416 183 M HN -0.221 nan 8.290 nan 0.000 0.459 184 P HA -0.186 nan 4.420 nan 0.000 0.225 184 P C 0.066 177.406 177.300 0.067 0.000 1.141 184 P CA 1.521 64.671 63.100 0.084 0.000 0.774 184 P CB 0.165 31.901 31.700 0.060 0.000 0.760 185 E N -3.687 116.562 120.200 0.082 0.000 2.601 185 E HA 0.145 4.498 4.350 0.005 0.000 0.219 185 E C 0.897 177.559 176.600 0.103 0.000 0.964 185 E CA -0.272 56.168 56.400 0.067 0.000 1.050 185 E CB 0.077 29.808 29.700 0.053 0.000 1.068 185 E HN 0.202 nan 8.360 nan 0.000 0.496 186 F N 0.164 120.054 119.950 -0.099 0.000 2.480 186 F HA 0.280 4.810 4.527 0.005 0.000 0.258 186 F C -0.120 175.553 175.800 -0.212 0.000 0.941 186 F CA -0.188 57.669 58.000 -0.238 0.000 1.085 186 F CB 0.137 38.898 39.000 -0.397 0.000 1.222 186 F HN -0.150 nan 8.300 nan 0.000 0.724 187 W N 2.090 123.494 121.300 0.173 0.000 2.150 187 W HA 0.279 4.942 4.660 0.005 0.000 0.341 187 W C 1.057 177.494 176.519 -0.137 0.000 1.276 187 W CA -0.087 57.254 57.345 -0.007 0.000 1.238 187 W CB 0.633 30.160 29.460 0.112 0.000 1.128 187 W HN 0.211 nan 8.180 nan 0.000 0.581 188 Q N 0.530 120.351 119.800 0.034 0.000 2.527 188 Q HA 0.158 4.501 4.340 0.005 0.000 0.252 188 Q C -0.606 175.000 176.000 -0.658 0.000 0.827 188 Q CA 0.219 55.742 55.803 -0.467 0.000 0.979 188 Q CB 0.632 28.822 28.738 -0.913 0.000 1.248 188 Q HN 0.305 nan 8.270 nan 0.000 0.578 189 F N 1.634 121.545 119.950 -0.065 0.000 2.460 189 F HA 0.410 4.940 4.527 0.005 0.000 0.341 189 F C -2.391 173.354 175.800 -0.091 0.000 1.130 189 F CA -3.053 54.842 58.000 -0.175 0.000 0.962 189 F CB 1.198 39.815 39.000 -0.638 0.000 1.171 189 F HN -0.204 nan 8.300 nan 0.000 0.436 190 P HA 0.110 nan 4.420 nan 0.000 0.265 190 P C 0.654 178.004 177.300 0.083 0.000 1.222 190 P CA 0.229 63.359 63.100 0.050 0.000 0.767 190 P CB 0.626 32.406 31.700 0.133 0.000 0.801 191 T N -2.059 112.486 114.554 -0.015 0.000 2.975 191 T HA 0.023 4.376 4.350 0.005 0.000 0.261 191 T C 1.380 176.050 174.700 -0.050 0.000 0.984 191 T CA 0.152 62.271 62.100 0.030 0.000 0.911 191 T CB -0.658 68.261 68.868 0.086 0.000 1.127 191 T HN 0.049 nan 8.240 nan 0.000 0.514 192 V N 0.981 120.792 119.914 -0.173 0.000 2.392 192 V HA -0.055 4.068 4.120 0.005 0.000 0.249 192 V C 1.783 177.780 176.094 -0.162 0.000 1.059 192 V CA 1.297 63.417 62.300 -0.300 0.000 1.051 192 V CB -1.417 30.038 31.823 -0.614 0.000 0.658 192 V HN 0.521 nan 8.190 nan 0.000 0.455 193 S N 2.398 118.069 115.700 -0.048 0.000 2.465 193 S HA 0.226 4.699 4.470 0.005 0.000 0.307 193 S C 0.382 174.976 174.600 -0.010 0.000 1.187 193 S CA -0.430 57.764 58.200 -0.010 0.000 1.141 193 S CB -0.700 62.534 63.200 0.057 0.000 1.108 193 S HN 0.326 nan 8.310 nan 0.000 0.525 194 M N 3.963 123.541 119.600 -0.036 0.000 2.246 194 M HA 0.111 4.594 4.480 0.005 0.000 0.327 194 M C 1.806 178.102 176.300 -0.007 0.000 1.090 194 M CA 1.455 56.740 55.300 -0.024 0.000 1.087 194 M CB -0.962 31.615 32.600 -0.038 0.000 1.587 194 M HN 0.972 nan 8.290 nan 0.000 0.444 195 G N 1.407 110.201 108.800 -0.010 0.000 2.336 195 G HA2 -0.258 3.705 3.960 0.005 0.000 0.233 195 G HA3 -0.258 3.705 3.960 0.005 0.000 0.233 195 G C 0.613 175.516 174.900 0.004 0.000 1.053 195 G CA 0.214 45.308 45.100 -0.009 0.000 0.625 195 G HN 0.534 nan 8.290 nan 0.000 0.511 196 L N 1.972 123.210 121.223 0.026 0.000 2.109 196 L HA 0.274 4.617 4.340 0.005 0.000 0.207 196 L C 3.042 179.944 176.870 0.053 0.000 1.086 196 L CA 2.623 57.494 54.840 0.051 0.000 0.760 196 L CB -1.341 40.768 42.059 0.083 0.000 0.910 196 L HN 0.412 nan 8.230 nan 0.000 0.437 197 G N 0.209 109.039 108.800 0.050 0.000 2.514 197 G HA2 -0.233 3.730 3.960 0.005 0.000 0.217 197 G HA3 -0.233 3.730 3.960 0.005 0.000 0.217 197 G C -0.534 174.268 174.900 -0.163 0.000 1.198 197 G CA 0.870 45.993 45.100 0.038 0.000 0.780 197 G HN 0.308 nan 8.290 nan 0.000 0.565 198 P HA -0.158 nan 4.420 nan 0.000 0.214 198 P C 1.981 179.307 177.300 0.043 0.000 1.169 198 P CA 0.966 63.892 63.100 -0.290 0.000 0.908 198 P CB -0.146 31.412 31.700 -0.236 0.000 0.791 199 I N -1.265 119.359 120.570 0.089 0.000 2.546 199 I HA -0.074 4.099 4.170 0.005 0.000 0.255 199 I C 1.984 178.221 176.117 0.200 0.000 1.163 199 I CA 1.411 62.832 61.300 0.201 0.000 1.457 199 I CB -0.579 37.515 38.000 0.158 0.000 1.092 199 I HN -0.071 nan 8.210 nan 0.000 0.434 200 G N 0.143 108.978 108.800 0.058 0.000 2.403 200 G HA2 -0.191 3.772 3.960 0.005 0.000 0.216 200 G HA3 -0.191 3.772 3.960 0.005 0.000 0.216 200 G C 1.697 176.533 174.900 -0.107 0.000 1.154 200 G CA 0.620 45.748 45.100 0.047 0.000 0.784 200 G HN 0.522 nan 8.290 nan 0.000 0.538 201 A N 0.703 123.261 122.820 -0.436 0.000 1.929 201 A HA 0.170 4.493 4.320 0.005 0.000 0.216 201 A C 2.348 179.846 177.584 -0.142 0.000 1.176 201 A CA 0.854 52.526 52.037 -0.608 0.000 0.628 201 A CB -0.264 18.279 19.000 -0.763 0.000 0.816 201 A HN 0.351 nan 8.150 nan 0.000 0.444 202 I N -1.838 118.741 120.570 0.015 0.000 2.163 202 I HA -0.285 3.888 4.170 0.005 0.000 0.243 202 I C 2.109 178.092 176.117 -0.222 0.000 1.085 202 I CA 1.554 62.813 61.300 -0.069 0.000 1.347 202 I CB -0.411 37.575 38.000 -0.025 0.000 1.044 202 I HN 0.397 nan 8.210 nan 0.000 0.408 203 Y N 0.130 120.433 120.300 0.006 0.000 2.544 203 Y HA -0.133 4.419 4.550 0.005 0.000 0.286 203 Y C 2.540 178.476 175.900 0.060 0.000 1.141 203 Y CA 0.589 58.704 58.100 0.026 0.000 1.299 203 Y CB -0.193 38.271 38.460 0.007 0.000 1.030 203 Y HN 0.195 nan 8.280 nan 0.000 0.543 204 Q N 0.579 120.457 119.800 0.130 0.000 2.123 204 Q HA 0.003 4.346 4.340 0.005 0.000 0.196 204 Q C 2.246 178.320 176.000 0.122 0.000 0.958 204 Q CA 1.499 57.388 55.803 0.143 0.000 0.841 204 Q CB -0.337 28.456 28.738 0.091 0.000 0.915 204 Q HN 0.295 nan 8.270 nan 0.000 0.455 205 A N 0.735 123.565 122.820 0.016 0.000 1.969 205 A HA -0.120 4.203 4.320 0.005 0.000 0.218 205 A C 2.082 179.653 177.584 -0.020 0.000 1.169 205 A CA 1.432 53.451 52.037 -0.031 0.000 0.635 205 A CB -0.495 18.436 19.000 -0.115 0.000 0.810 205 A HN 0.260 nan 8.150 nan 0.000 0.445 206 K N -1.344 119.045 120.400 -0.019 0.000 2.103 206 K HA -0.069 4.254 4.320 0.005 0.000 0.204 206 K C 1.720 178.378 176.600 0.097 0.000 1.052 206 K CA 1.092 57.385 56.287 0.010 0.000 0.945 206 K CB -0.337 32.121 32.500 -0.071 0.000 0.722 206 K HN 0.434 nan 8.250 nan 0.000 0.443 207 F N 1.995 121.948 119.950 0.004 0.000 2.171 207 F HA -0.135 4.395 4.527 0.005 0.000 0.300 207 F C 1.910 177.754 175.800 0.072 0.000 1.090 207 F CA 1.024 59.034 58.000 0.016 0.000 1.293 207 F CB -0.130 38.873 39.000 0.006 0.000 1.013 207 F HN -0.072 nan 8.300 nan 0.000 0.486 208 L N 0.131 121.391 121.223 0.063 0.000 1.989 208 L HA -0.268 4.075 4.340 0.005 0.000 0.211 208 L C 2.524 179.316 176.870 -0.130 0.000 1.071 208 L CA 1.609 56.428 54.840 -0.035 0.000 0.749 208 L CB -0.824 41.243 42.059 0.012 0.000 0.890 208 L HN 0.058 nan 8.230 nan 0.000 0.431 209 K N -0.576 119.771 120.400 -0.089 0.000 2.113 209 K HA -0.266 4.057 4.320 0.005 0.000 0.208 209 K C 2.104 178.649 176.600 -0.093 0.000 1.047 209 K CA 1.767 57.979 56.287 -0.124 0.000 0.928 209 K CB -0.596 31.916 32.500 0.020 0.000 0.716 209 K HN 0.240 nan 8.250 nan 0.000 0.446 210 Y N 1.863 121.999 120.300 -0.275 0.000 2.128 210 Y HA -0.255 4.298 4.550 0.005 0.000 0.284 210 Y C 2.103 177.727 175.900 -0.461 0.000 1.154 210 Y CA 1.214 58.970 58.100 -0.573 0.000 1.149 210 Y CB -0.377 37.537 38.460 -0.909 0.000 0.976 210 Y HN -0.114 nan 8.280 nan 0.000 0.505 211 L N 0.877 121.794 121.223 -0.510 0.000 2.042 211 L HA -0.205 4.138 4.340 0.005 0.000 0.210 211 L C 2.539 179.223 176.870 -0.309 0.000 1.076 211 L CA 2.317 56.890 54.840 -0.446 0.000 0.749 211 L CB -1.262 40.605 42.059 -0.320 0.000 0.893 211 L HN 0.493 nan 8.230 nan 0.000 0.432 212 E N -1.313 118.730 120.200 -0.262 0.000 2.015 212 E HA -0.240 4.113 4.350 0.005 0.000 0.191 212 E C 2.166 178.662 176.600 -0.174 0.000 0.991 212 E CA 1.364 57.632 56.400 -0.220 0.000 0.802 212 E CB -0.277 29.262 29.700 -0.269 0.000 0.759 212 E HN 0.614 nan 8.360 nan 0.000 0.447 213 H N -0.246 118.755 119.070 -0.115 0.000 2.394 213 H HA -0.084 4.475 4.556 0.005 0.000 0.297 213 H C 2.105 177.358 175.328 -0.125 0.000 1.113 213 H CA 1.494 57.504 56.048 -0.064 0.000 1.277 213 H CB 0.096 29.909 29.762 0.085 0.000 1.370 213 H HN 0.068 nan 8.280 nan 0.000 0.506 214 R N -0.076 120.331 120.500 -0.156 0.000 2.307 214 R HA 0.001 4.344 4.340 0.005 0.000 0.199 214 R C 1.153 177.361 176.300 -0.152 0.000 1.000 214 R CA 0.653 56.610 56.100 -0.239 0.000 1.023 214 R CB 0.352 30.329 30.300 -0.539 0.000 0.908 214 R HN 0.536 nan 8.270 nan 0.000 0.473 215 G N 0.977 109.704 108.800 -0.121 0.000 2.153 215 G HA2 -0.267 3.696 3.960 0.005 0.000 0.252 215 G HA3 -0.267 3.696 3.960 0.005 0.000 0.252 215 G C 0.658 175.505 174.900 -0.090 0.000 0.994 215 G CA 0.194 45.243 45.100 -0.085 0.000 0.698 215 G HN 0.309 nan 8.290 nan 0.000 0.521 216 L N -1.150 119.998 121.223 -0.126 0.000 2.249 216 L HA 0.383 4.726 4.340 0.005 0.000 0.207 216 L C 1.267 178.093 176.870 -0.073 0.000 1.090 216 L CA 1.318 56.100 54.840 -0.098 0.000 0.802 216 L CB 0.244 42.228 42.059 -0.124 0.000 0.947 216 L HN 0.270 nan 8.230 nan 0.000 0.453 217 K N -0.021 120.324 120.400 -0.090 0.000 2.579 217 K HA 0.056 4.379 4.320 0.005 0.000 0.257 217 K C -1.637 174.917 176.600 -0.078 0.000 0.950 217 K CA -0.612 55.637 56.287 -0.065 0.000 0.862 217 K CB 1.591 34.065 32.500 -0.043 0.000 1.317 217 K HN -0.263 nan 8.250 nan 0.000 0.436 218 D N 2.836 123.201 120.400 -0.060 0.000 2.346 218 D HA 0.026 4.668 4.640 0.005 0.000 0.260 218 D C 0.340 176.606 176.300 -0.056 0.000 1.252 218 D CA 0.408 54.370 54.000 -0.063 0.000 0.895 218 D CB 0.963 41.736 40.800 -0.044 0.000 1.097 218 D HN 0.558 nan 8.370 nan 0.000 0.489 219 T N -0.629 113.880 114.554 -0.074 0.000 3.182 219 T HA 0.034 4.387 4.350 0.005 0.000 0.277 219 T C 1.592 176.262 174.700 -0.051 0.000 1.013 219 T CA 0.089 62.158 62.100 -0.051 0.000 0.900 219 T CB -0.183 68.656 68.868 -0.049 0.000 1.098 219 T HN 0.225 nan 8.240 nan 0.000 0.543 220 S N 2.261 117.924 115.700 -0.061 0.000 2.440 220 S HA -0.103 4.370 4.470 0.005 0.000 0.238 220 S C 1.670 176.255 174.600 -0.025 0.000 1.010 220 S CA 0.557 58.723 58.200 -0.056 0.000 0.972 220 S CB -0.480 62.685 63.200 -0.058 0.000 0.774 220 S HN 0.576 nan 8.310 nan 0.000 0.501 221 K N 0.891 121.288 120.400 -0.005 0.000 2.459 221 K HA 0.164 4.487 4.320 0.005 0.000 0.193 221 K C 0.496 177.121 176.600 0.042 0.000 1.030 221 K CA 0.211 56.514 56.287 0.025 0.000 1.026 221 K CB 0.080 32.603 32.500 0.038 0.000 0.809 221 K HN 0.535 nan 8.250 nan 0.000 0.504 222 Q N 0.809 120.623 119.800 0.023 0.000 2.261 222 Q HA 0.172 4.515 4.340 0.005 0.000 0.252 222 Q C -0.664 175.341 176.000 0.008 0.000 0.915 222 Q CA 0.101 55.927 55.803 0.038 0.000 0.915 222 Q CB 1.707 30.466 28.738 0.036 0.000 1.204 222 Q HN -0.068 nan 8.270 nan 0.000 0.421 223 T N 1.235 115.799 114.554 0.016 0.000 2.863 223 T HA 0.435 4.788 4.350 0.005 0.000 0.285 223 T C -0.729 173.889 174.700 -0.136 0.000 1.009 223 T CA -0.575 61.458 62.100 -0.110 0.000 0.989 223 T CB 1.453 70.219 68.868 -0.170 0.000 1.004 223 T HN 0.245 nan 8.240 nan 0.000 0.455 224 V N 3.533 123.318 119.914 -0.214 0.000 2.347 224 V HA 0.392 4.515 4.120 0.005 0.000 0.280 224 V C -1.235 174.743 176.094 -0.193 0.000 1.021 224 V CA -0.765 61.474 62.300 -0.102 0.000 0.847 224 V CB 0.458 32.247 31.823 -0.056 0.000 0.990 224 V HN 0.787 nan 8.190 nan 0.000 0.444 225 Y N 2.986 123.384 120.300 0.163 0.000 2.331 225 Y HA 0.681 5.233 4.550 0.005 0.000 0.338 225 Y C 0.480 176.498 175.900 0.196 0.000 0.976 225 Y CA -0.601 57.617 58.100 0.196 0.000 1.137 225 Y CB 1.800 40.499 38.460 0.398 0.000 1.172 225 Y HN 0.666 nan 8.280 nan 0.000 0.478 226 A N 4.765 127.700 122.820 0.192 0.000 2.256 226 A HA 0.648 4.971 4.320 0.005 0.000 0.317 226 A C -1.401 176.129 177.584 -0.090 0.000 1.318 226 A CA -0.477 51.567 52.037 0.012 0.000 0.894 226 A CB -0.203 18.650 19.000 -0.246 0.000 1.165 226 A HN 0.604 nan 8.150 nan 0.000 0.525 227 F N 2.992 122.976 119.950 0.057 0.000 2.371 227 F HA 0.552 5.081 4.527 0.005 0.000 0.363 227 F C 0.003 175.813 175.800 0.018 0.000 1.122 227 F CA -0.110 57.925 58.000 0.058 0.000 1.129 227 F CB 1.160 40.274 39.000 0.191 0.000 1.173 227 F HN 0.393 nan 8.300 nan 0.000 0.489 228 L N 2.426 123.651 121.223 0.004 0.000 2.354 228 L HA 0.836 5.179 4.340 0.005 0.000 0.264 228 L C 0.435 177.321 176.870 0.026 0.000 1.008 228 L CA -1.118 53.712 54.840 -0.015 0.000 0.819 228 L CB 1.720 43.664 42.059 -0.192 0.000 1.339 228 L HN 0.579 nan 8.230 nan 0.000 0.420 229 G N -0.659 108.189 108.800 0.080 0.000 2.477 229 G HA2 0.359 4.322 3.960 0.005 0.000 0.304 229 G HA3 0.359 4.322 3.960 0.005 0.000 0.304 229 G C -0.015 174.902 174.900 0.029 0.000 1.175 229 G CA -0.246 44.913 45.100 0.099 0.000 0.907 229 G HN 0.809 nan 8.290 nan 0.000 0.509 230 D N -0.314 120.100 120.400 0.025 0.000 2.162 230 D HA -0.029 4.614 4.640 0.005 0.000 0.203 230 D C 2.245 178.554 176.300 0.014 0.000 0.967 230 D CA 1.012 55.011 54.000 -0.001 0.000 0.840 230 D CB -0.785 40.010 40.800 -0.008 0.000 0.972 230 D HN 0.485 nan 8.370 nan 0.000 0.482 231 G N 0.914 109.734 108.800 0.034 0.000 2.469 231 G HA2 -0.380 3.583 3.960 0.005 0.000 0.219 231 G HA3 -0.380 3.583 3.960 0.005 0.000 0.219 231 G C 1.431 176.339 174.900 0.014 0.000 1.150 231 G CA 1.007 46.123 45.100 0.028 0.000 0.763 231 G HN 0.526 nan 8.290 nan 0.000 0.561 232 E N -0.194 120.015 120.200 0.015 0.000 2.265 232 E HA -0.113 4.240 4.350 0.005 0.000 0.196 232 E C 2.081 178.676 176.600 -0.009 0.000 0.996 232 E CA 0.669 57.069 56.400 -0.001 0.000 0.832 232 E CB -0.174 29.530 29.700 0.007 0.000 0.756 232 E HN 0.296 nan 8.360 nan 0.000 0.491 233 M N 1.017 120.613 119.600 -0.006 0.000 2.632 233 M HA -0.042 4.441 4.480 0.005 0.000 0.256 233 M C 0.600 176.903 176.300 0.005 0.000 1.080 233 M CA 0.922 56.223 55.300 0.002 0.000 1.084 233 M CB -0.457 32.153 32.600 0.018 0.000 1.439 233 M HN 0.076 nan 8.290 nan 0.000 0.509 234 D N 0.412 120.813 120.400 0.001 0.000 2.289 234 D HA -0.026 4.617 4.640 0.005 0.000 0.207 234 D C 0.419 176.716 176.300 -0.006 0.000 0.966 234 D CA 0.486 54.485 54.000 -0.001 0.000 0.868 234 D CB 0.183 40.984 40.800 0.000 0.000 0.943 234 D HN 0.237 nan 8.370 nan 0.000 0.514 235 E N 1.219 121.415 120.200 -0.007 0.000 2.406 235 E HA -0.030 4.323 4.350 0.005 0.000 0.258 235 E C -1.636 174.959 176.600 -0.009 0.000 1.043 235 E CA -1.056 55.339 56.400 -0.008 0.000 0.929 235 E CB 0.856 30.551 29.700 -0.009 0.000 0.969 235 E HN 0.129 nan 8.360 nan 0.000 0.462 236 P HA -0.214 nan 4.420 nan 0.000 0.218 236 P C 0.544 177.838 177.300 -0.010 0.000 1.150 236 P CA 1.374 64.466 63.100 -0.013 0.000 0.841 236 P CB 0.315 32.008 31.700 -0.013 0.000 0.784 237 E N -1.457 118.741 120.200 -0.002 0.000 2.418 237 E HA -0.036 4.317 4.350 0.005 0.000 0.197 237 E C 1.886 178.498 176.600 0.019 0.000 1.026 237 E CA 0.655 57.061 56.400 0.010 0.000 0.862 237 E CB -0.636 29.070 29.700 0.010 0.000 0.799 237 E HN 0.217 nan 8.360 nan 0.000 0.518 238 S N 0.398 116.101 115.700 0.005 0.000 2.387 238 S HA -0.020 4.453 4.470 0.005 0.000 0.226 238 S C 1.391 176.016 174.600 0.042 0.000 1.026 238 S CA 0.985 59.189 58.200 0.007 0.000 0.972 238 S CB 0.101 63.295 63.200 -0.010 0.000 0.814 238 S HN 0.213 nan 8.310 nan 0.000 0.477 239 K N -0.031 120.357 120.400 -0.020 0.000 2.450 239 K HA 0.219 4.542 4.320 0.005 0.000 0.206 239 K C 1.850 178.376 176.600 -0.123 0.000 1.148 239 K CA 0.379 56.583 56.287 -0.138 0.000 1.014 239 K CB 0.188 32.549 32.500 -0.231 0.000 0.966 239 K HN 0.260 nan 8.250 nan 0.000 0.566 240 G N 1.370 110.140 108.800 -0.049 0.000 2.564 240 G HA2 -0.190 3.773 3.960 0.005 0.000 0.216 240 G HA3 -0.190 3.773 3.960 0.005 0.000 0.216 240 G C 1.109 176.011 174.900 0.003 0.000 1.124 240 G CA 1.053 46.134 45.100 -0.031 0.000 0.764 240 G HN 0.317 nan 8.290 nan 0.000 0.550 241 A N 0.146 122.990 122.820 0.039 0.000 2.585 241 A HA 0.379 4.702 4.320 0.005 0.000 0.266 241 A C 1.848 179.489 177.584 0.094 0.000 1.178 241 A CA 0.234 52.333 52.037 0.104 0.000 0.966 241 A CB -0.022 19.114 19.000 0.227 0.000 1.170 241 A HN 0.512 nan 8.150 nan 0.000 0.558 242 I N -3.288 117.296 120.570 0.022 0.000 2.700 242 I HA -0.089 4.084 4.170 0.005 0.000 0.261 242 I C 1.703 177.981 176.117 0.267 0.000 1.219 242 I CA 1.842 63.207 61.300 0.108 0.000 1.463 242 I CB -0.611 37.091 38.000 -0.497 0.000 1.092 242 I HN 0.068 nan 8.210 nan 0.000 0.452 243 T N 1.478 116.076 114.554 0.074 0.000 2.867 243 T HA -0.030 4.323 4.350 0.005 0.000 0.268 243 T C 1.701 176.416 174.700 0.024 0.000 1.057 243 T CA 1.293 63.427 62.100 0.056 0.000 1.136 243 T CB -0.210 68.660 68.868 0.003 0.000 0.874 243 T HN 0.257 nan 8.240 nan 0.000 0.466 244 I N 1.694 122.269 120.570 0.007 0.000 2.454 244 I HA -0.031 4.142 4.170 0.005 0.000 0.254 244 I C 2.508 178.529 176.117 -0.160 0.000 1.156 244 I CA 0.430 61.688 61.300 -0.071 0.000 1.433 244 I CB -0.952 36.984 38.000 -0.106 0.000 1.082 244 I HN 0.189 nan 8.210 nan 0.000 0.432 245 A N -0.936 121.781 122.820 -0.172 0.000 2.067 245 A HA -0.151 4.172 4.320 0.005 0.000 0.219 245 A C 2.372 179.683 177.584 -0.456 0.000 1.158 245 A CA 2.131 53.909 52.037 -0.432 0.000 0.661 245 A CB -0.841 17.658 19.000 -0.835 0.000 0.801 245 A HN 0.410 nan 8.150 nan 0.000 0.452 246 T N -0.721 113.659 114.554 -0.291 0.000 2.901 246 T HA -0.025 4.328 4.350 0.005 0.000 0.252 246 T C 2.054 176.660 174.700 -0.158 0.000 1.035 246 T CA 0.944 62.906 62.100 -0.230 0.000 1.142 246 T CB -0.168 68.629 68.868 -0.118 0.000 0.869 246 T HN 0.495 nan 8.240 nan 0.000 0.442 247 R N 1.413 121.844 120.500 -0.115 0.000 2.096 247 R HA -0.080 4.263 4.340 0.005 0.000 0.240 247 R C 1.908 178.146 176.300 -0.103 0.000 1.139 247 R CA 1.271 57.317 56.100 -0.091 0.000 0.952 247 R CB -0.226 30.035 30.300 -0.065 0.000 0.854 247 R HN 0.420 nan 8.270 nan 0.000 0.436 248 E N 0.940 121.069 120.200 -0.119 0.000 2.476 248 E HA 0.018 4.371 4.350 0.005 0.000 0.191 248 E C -0.318 176.216 176.600 -0.110 0.000 1.064 248 E CA -0.006 56.338 56.400 -0.093 0.000 0.866 248 E CB 0.205 29.863 29.700 -0.070 0.000 0.952 248 E HN 0.237 nan 8.360 nan 0.000 0.492 249 K N 1.075 121.378 120.400 -0.162 0.000 3.689 249 K HA -0.171 4.152 4.320 0.005 0.000 0.276 249 K C -0.293 176.184 176.600 -0.205 0.000 0.932 249 K CA 0.183 56.361 56.287 -0.181 0.000 0.758 249 K CB -1.643 30.788 32.500 -0.114 0.000 1.500 249 K HN 0.213 nan 8.250 nan 0.000 0.448 250 L N 2.166 123.206 121.223 -0.306 0.000 2.423 250 L HA 0.048 4.391 4.340 0.005 0.000 0.249 250 L C 0.897 177.565 176.870 -0.338 0.000 1.276 250 L CA -0.306 54.351 54.840 -0.305 0.000 1.199 250 L CB -0.338 41.508 42.059 -0.355 0.000 1.407 250 L HN 0.314 nan 8.230 nan 0.000 0.410 251 D N -0.961 119.289 120.400 -0.250 0.000 2.332 251 D HA -0.120 4.523 4.640 0.005 0.000 0.244 251 D C 0.982 177.164 176.300 -0.197 0.000 1.136 251 D CA 0.094 53.958 54.000 -0.226 0.000 0.884 251 D CB -0.149 40.552 40.800 -0.165 0.000 0.906 251 D HN 0.423 nan 8.370 nan 0.000 0.520 252 N N 0.034 118.609 118.700 -0.208 0.000 2.200 252 N HA 0.101 4.844 4.740 0.005 0.000 0.224 252 N C -0.425 174.949 175.510 -0.226 0.000 1.179 252 N CA -0.490 52.451 53.050 -0.181 0.000 0.877 252 N CB 0.316 38.723 38.487 -0.135 0.000 1.072 252 N HN 0.218 nan 8.380 nan 0.000 0.519 253 L N 0.357 121.413 121.223 -0.280 0.000 2.365 253 L HA 0.683 5.026 4.340 0.005 0.000 0.273 253 L C -1.442 175.265 176.870 -0.273 0.000 1.000 253 L CA -0.853 53.817 54.840 -0.282 0.000 0.819 253 L CB 2.248 44.101 42.059 -0.344 0.000 1.284 253 L HN -0.125 nan 8.230 nan 0.000 0.418 254 V N 5.278 125.092 119.914 -0.168 0.000 2.569 254 V HA 0.455 4.578 4.120 0.005 0.000 0.301 254 V C -0.890 175.317 176.094 0.188 0.000 1.044 254 V CA -0.461 61.802 62.300 -0.062 0.000 0.874 254 V CB 1.496 33.239 31.823 -0.133 0.000 1.002 254 V HN 0.497 nan 8.190 nan 0.000 0.424 255 F N 3.818 123.763 119.950 -0.008 0.000 2.408 255 F HA 0.589 5.119 4.527 0.005 0.000 0.344 255 F C 0.240 175.846 175.800 -0.323 0.000 1.112 255 F CA -1.174 56.743 58.000 -0.137 0.000 1.096 255 F CB 1.923 40.820 39.000 -0.171 0.000 1.129 255 F HN 0.176 nan 8.300 nan 0.000 0.486 256 V N 6.295 126.028 119.914 -0.301 0.000 2.326 256 V HA 0.357 4.480 4.120 0.005 0.000 0.281 256 V C 0.077 175.954 176.094 -0.362 0.000 1.015 256 V CA -0.563 61.451 62.300 -0.476 0.000 0.823 256 V CB 1.105 32.352 31.823 -0.959 0.000 1.009 256 V HN 0.441 nan 8.190 nan 0.000 0.436 257 I N 4.075 124.467 120.570 -0.296 0.000 2.312 257 I HA 0.330 4.503 4.170 0.005 0.000 0.290 257 I C 0.274 176.294 176.117 -0.162 0.000 1.008 257 I CA -0.469 60.697 61.300 -0.223 0.000 1.226 257 I CB 1.306 39.153 38.000 -0.256 0.000 1.371 257 I HN 0.477 nan 8.210 nan 0.000 0.468 258 N N 6.360 125.011 118.700 -0.080 0.000 2.406 258 N HA 0.062 4.805 4.740 0.005 0.000 0.265 258 N C -0.744 174.747 175.510 -0.032 0.000 1.203 258 N CA -0.160 52.867 53.050 -0.038 0.000 0.945 258 N CB 0.397 38.912 38.487 0.046 0.000 1.165 258 N HN 0.550 nan 8.380 nan 0.000 0.485 259 C N 4.380 123.643 119.300 -0.062 0.000 2.203 259 C HA 0.206 4.669 4.460 0.005 0.000 0.413 259 C C 1.393 176.403 174.990 0.033 0.000 1.054 259 C CA -0.917 58.076 59.018 -0.042 0.000 1.496 259 C CB -1.787 25.882 27.740 -0.120 0.000 1.573 259 C HN 0.730 nan 8.230 nan 0.000 0.498 260 N N 1.203 119.940 118.700 0.061 0.000 2.412 260 N HA 0.055 4.798 4.740 0.005 0.000 0.184 260 N C 0.897 176.473 175.510 0.110 0.000 1.101 260 N CA 0.100 53.211 53.050 0.101 0.000 0.881 260 N CB -0.343 38.215 38.487 0.119 0.000 0.969 260 N HN 0.649 nan 8.380 nan 0.000 0.459 261 L N -2.754 118.518 121.223 0.081 0.000 4.892 261 L HA -0.289 4.054 4.340 0.005 0.000 0.403 261 L C -0.110 176.805 176.870 0.075 0.000 0.913 261 L CA 1.164 56.049 54.840 0.076 0.000 1.653 261 L CB -2.016 40.107 42.059 0.106 0.000 1.780 261 L HN 0.605 nan 8.230 nan 0.000 0.597 262 Q N 0.560 120.411 119.800 0.084 0.000 2.496 262 Q HA 0.828 5.171 4.340 0.005 0.000 0.286 262 Q C -0.385 175.662 176.000 0.079 0.000 1.103 262 Q CA -1.163 54.688 55.803 0.079 0.000 0.813 262 Q CB 2.453 31.244 28.738 0.087 0.000 1.444 262 Q HN 0.269 nan 8.270 nan 0.000 0.443 263 R N -0.108 120.432 120.500 0.067 0.000 3.287 263 R HA 0.408 4.751 4.340 0.005 0.000 0.221 263 R C 0.944 177.284 176.300 0.066 0.000 1.684 263 R CA -0.919 55.218 56.100 0.061 0.000 0.976 263 R CB 0.041 30.366 30.300 0.041 0.000 2.102 263 R HN 0.409 nan 8.270 nan 0.000 0.541 264 L N 1.061 122.316 121.223 0.053 0.000 2.610 264 L HA 0.073 4.416 4.340 0.005 0.000 0.232 264 L C -0.293 176.604 176.870 0.044 0.000 1.149 264 L CA 1.506 56.378 54.840 0.053 0.000 0.872 264 L CB -1.127 40.957 42.059 0.041 0.000 0.992 264 L HN 0.651 nan 8.230 nan 0.000 0.447 265 D N -0.760 119.664 120.400 0.041 0.000 2.881 265 D HA 0.458 5.101 4.640 0.005 0.000 0.325 265 D C 0.361 176.682 176.300 0.035 0.000 1.621 265 D CA 0.296 54.317 54.000 0.035 0.000 0.785 265 D CB 1.188 42.004 40.800 0.027 0.000 1.233 265 D HN 0.221 nan 8.370 nan 0.000 0.447 266 G N 1.409 110.235 108.800 0.043 0.000 2.357 266 G HA2 0.017 3.979 3.960 0.005 0.000 0.643 266 G HA3 0.017 3.979 3.960 0.005 0.000 0.643 266 G C -2.951 171.976 174.900 0.045 0.000 1.358 266 G CA -1.271 43.854 45.100 0.041 0.000 0.986 266 G HN -0.121 nan 8.290 nan 0.000 0.620 267 P HA 0.110 nan 4.420 nan 0.000 0.261 267 P C 1.528 178.851 177.300 0.038 0.000 1.173 267 P CA 0.371 63.499 63.100 0.048 0.000 0.760 267 P CB 0.850 32.578 31.700 0.045 0.000 0.783 268 V N 2.381 122.319 119.914 0.039 0.000 2.370 268 V HA -0.201 3.922 4.120 0.005 0.000 0.252 268 V C 1.538 177.645 176.094 0.023 0.000 1.068 268 V CA 2.820 65.138 62.300 0.029 0.000 1.061 268 V CB -1.376 30.463 31.823 0.026 0.000 0.656 268 V HN 0.897 nan 8.190 nan 0.000 0.455 269 T N -3.482 111.087 114.554 0.024 0.000 3.160 269 T HA 0.481 4.834 4.350 0.005 0.000 0.346 269 T C 0.874 175.587 174.700 0.021 0.000 1.027 269 T CA 0.101 62.212 62.100 0.019 0.000 1.287 269 T CB 0.743 69.620 68.868 0.014 0.000 0.997 269 T HN 0.277 nan 8.240 nan 0.000 0.518 270 G N 2.778 111.590 108.800 0.019 0.000 2.556 270 G HA2 -0.249 3.714 3.960 0.005 0.000 0.220 270 G HA3 -0.249 3.714 3.960 0.005 0.000 0.220 270 G C 1.238 176.143 174.900 0.009 0.000 1.156 270 G CA 0.662 45.771 45.100 0.016 0.000 0.766 270 G HN 0.684 nan 8.290 nan 0.000 0.583 271 N N 1.280 119.983 118.700 0.005 0.000 2.276 271 N HA 0.162 4.905 4.740 0.005 0.000 0.212 271 N C 0.857 176.367 175.510 -0.001 0.000 1.127 271 N CA 0.601 53.650 53.050 -0.001 0.000 0.834 271 N CB 0.952 39.438 38.487 -0.001 0.000 1.014 271 N HN 0.376 nan 8.380 nan 0.000 0.491 272 G N 0.095 108.897 108.800 0.005 0.000 3.262 272 G HA2 0.540 4.503 3.960 0.005 0.000 0.229 272 G HA3 0.540 4.503 3.960 0.005 0.000 0.229 272 G C -0.943 173.960 174.900 0.006 0.000 1.280 272 G CA -0.421 44.680 45.100 0.002 0.000 0.951 272 G HN -0.046 nan 8.290 nan 0.000 0.589 273 K N 0.866 121.269 120.400 0.005 0.000 2.705 273 K HA 0.277 4.599 4.320 0.005 0.000 0.238 273 K C 1.130 177.744 176.600 0.024 0.000 0.996 273 K CA -0.409 55.886 56.287 0.013 0.000 1.007 273 K CB 1.830 34.312 32.500 -0.031 0.000 1.206 273 K HN 0.446 nan 8.250 nan 0.000 0.488 274 I N 0.829 121.413 120.570 0.022 0.000 2.208 274 I HA -0.334 3.838 4.170 0.005 0.000 0.245 274 I C 1.898 178.009 176.117 -0.011 0.000 1.097 274 I CA 1.469 62.773 61.300 0.006 0.000 1.363 274 I CB -0.531 37.468 38.000 -0.001 0.000 1.051 274 I HN 0.556 nan 8.210 nan 0.000 0.413 275 I N 1.397 121.956 120.570 -0.019 0.000 2.179 275 I HA -0.272 3.901 4.170 0.005 0.000 0.242 275 I C 2.342 178.450 176.117 -0.015 0.000 1.088 275 I CA 1.559 62.821 61.300 -0.064 0.000 1.357 275 I CB -0.656 37.263 38.000 -0.135 0.000 1.051 275 I HN 0.290 nan 8.210 nan 0.000 0.409 276 N N 0.746 119.475 118.700 0.049 0.000 2.069 276 N HA -0.236 4.507 4.740 0.005 0.000 0.191 276 N C 1.749 177.272 175.510 0.021 0.000 1.031 276 N CA 1.360 54.435 53.050 0.043 0.000 0.852 276 N CB -0.317 38.195 38.487 0.042 0.000 1.018 276 N HN 0.419 nan 8.380 nan 0.000 0.423 277 E N 0.207 120.417 120.200 0.017 0.000 2.031 277 E HA -0.138 4.215 4.350 0.005 0.000 0.193 277 E C 1.603 178.227 176.600 0.039 0.000 0.994 277 E CA 0.762 57.173 56.400 0.020 0.000 0.800 277 E CB 0.027 29.736 29.700 0.015 0.000 0.752 277 E HN 0.111 nan 8.360 nan 0.000 0.447 278 L N 1.225 122.468 121.223 0.033 0.000 2.046 278 L HA -0.176 4.167 4.340 0.005 0.000 0.208 278 L C 2.522 179.449 176.870 0.096 0.000 1.077 278 L CA 1.865 56.753 54.840 0.080 0.000 0.747 278 L CB -1.377 40.648 42.059 -0.056 0.000 0.896 278 L HN 0.373 nan 8.230 nan 0.000 0.432 279 E N -0.153 120.050 120.200 0.005 0.000 2.077 279 E HA -0.172 4.181 4.350 0.005 0.000 0.193 279 E C 2.157 178.787 176.600 0.050 0.000 0.989 279 E CA 1.141 57.544 56.400 0.006 0.000 0.800 279 E CB -0.076 29.608 29.700 -0.025 0.000 0.746 279 E HN 0.445 nan 8.360 nan 0.000 0.452 280 G N 1.682 110.506 108.800 0.039 0.000 2.446 280 G HA2 -0.284 3.679 3.960 0.005 0.000 0.217 280 G HA3 -0.284 3.679 3.960 0.005 0.000 0.217 280 G C 1.602 176.515 174.900 0.021 0.000 1.168 280 G CA 0.854 45.971 45.100 0.027 0.000 0.771 280 G HN 0.407 nan 8.290 nan 0.000 0.551 281 I N -1.338 119.245 120.570 0.020 0.000 2.353 281 I HA 0.060 4.233 4.170 0.005 0.000 0.248 281 I C 2.313 178.344 176.117 -0.143 0.000 1.119 281 I CA 0.790 62.051 61.300 -0.066 0.000 1.417 281 I CB 0.036 37.966 38.000 -0.116 0.000 1.078 281 I HN 0.136 nan 8.210 nan 0.000 0.421 282 F N 1.283 121.130 119.950 -0.171 0.000 2.163 282 F HA -0.163 4.367 4.527 0.005 0.000 0.297 282 F C 2.480 178.233 175.800 -0.078 0.000 1.094 282 F CA 1.619 59.466 58.000 -0.256 0.000 1.290 282 F CB -0.497 38.288 39.000 -0.359 0.000 1.017 282 F HN 0.097 nan 8.300 nan 0.000 0.483 283 E N 0.322 120.603 120.200 0.135 0.000 2.058 283 E HA -0.139 4.214 4.350 0.005 0.000 0.194 283 E C 2.456 179.094 176.600 0.063 0.000 0.997 283 E CA 1.604 58.061 56.400 0.095 0.000 0.801 283 E CB -0.893 28.840 29.700 0.054 0.000 0.746 283 E HN 0.253 nan 8.360 nan 0.000 0.450 284 G N -0.457 108.358 108.800 0.025 0.000 2.509 284 G HA2 -0.123 3.840 3.960 0.005 0.000 0.218 284 G HA3 -0.123 3.840 3.960 0.005 0.000 0.218 284 G C 1.436 176.337 174.900 0.002 0.000 1.124 284 G CA 0.661 45.764 45.100 0.004 0.000 0.776 284 G HN 0.406 nan 8.290 nan 0.000 0.547 285 A N -0.583 122.239 122.820 0.003 0.000 2.218 285 A HA 0.482 4.805 4.320 0.005 0.000 0.209 285 A C 2.023 179.699 177.584 0.152 0.000 1.168 285 A CA 1.290 53.345 52.037 0.029 0.000 0.804 285 A CB -0.257 18.689 19.000 -0.091 0.000 0.834 285 A HN 1.463 nan 8.150 nan 0.000 0.482 286 G N -2.843 106.044 108.800 0.146 0.000 2.176 286 G HA2 -0.240 3.723 3.960 0.005 0.000 0.232 286 G HA3 -0.240 3.723 3.960 0.005 0.000 0.232 286 G C -0.107 174.888 174.900 0.159 0.000 0.986 286 G CA -0.002 45.164 45.100 0.110 0.000 0.643 286 G HN 0.348 nan 8.290 nan 0.000 0.522 287 W N 0.913 122.192 121.300 -0.035 0.000 2.161 287 W HA 0.603 5.266 4.660 0.005 0.000 0.344 287 W C 0.587 177.084 176.519 -0.036 0.000 1.262 287 W CA -0.534 56.792 57.345 -0.030 0.000 1.270 287 W CB 0.318 29.815 29.460 0.062 0.000 1.126 287 W HN 0.230 nan 8.180 nan 0.000 0.598 288 N N 1.459 120.256 118.700 0.161 0.000 2.414 288 N HA 0.351 5.093 4.740 0.005 0.000 0.256 288 N C -1.412 174.123 175.510 0.042 0.000 1.029 288 N CA -0.422 52.660 53.050 0.053 0.000 0.948 288 N CB 0.799 39.272 38.487 -0.024 0.000 1.102 288 N HN 0.283 nan 8.380 nan 0.000 0.496 289 V N 2.853 122.770 119.914 0.006 0.000 2.483 289 V HA 0.653 4.776 4.120 0.005 0.000 0.295 289 V C -0.344 175.687 176.094 -0.105 0.000 1.035 289 V CA -0.668 61.591 62.300 -0.069 0.000 0.896 289 V CB 0.818 32.592 31.823 -0.081 0.000 0.986 289 V HN 0.544 nan 8.190 nan 0.000 0.447 290 I N 4.947 125.420 120.570 -0.162 0.000 2.418 290 I HA 0.513 4.686 4.170 0.005 0.000 0.287 290 I C -0.060 175.928 176.117 -0.215 0.000 1.008 290 I CA -0.684 60.512 61.300 -0.174 0.000 1.104 290 I CB 1.934 39.813 38.000 -0.201 0.000 1.264 290 I HN 0.575 nan 8.210 nan 0.000 0.438 291 K N 5.723 126.003 120.400 -0.200 0.000 2.263 291 K HA 0.469 4.792 4.320 0.005 0.000 0.272 291 K C -0.840 175.606 176.600 -0.257 0.000 1.033 291 K CA -0.583 55.551 56.287 -0.255 0.000 0.884 291 K CB 2.350 34.688 32.500 -0.270 0.000 1.107 291 K HN 0.334 nan 8.250 nan 0.000 0.460 292 V N 5.772 125.517 119.914 -0.282 0.000 2.240 292 V HA 0.073 4.196 4.120 0.005 0.000 0.265 292 V C 0.937 176.827 176.094 -0.340 0.000 1.073 292 V CA -0.269 61.885 62.300 -0.243 0.000 0.857 292 V CB 0.503 32.208 31.823 -0.198 0.000 1.114 292 V HN 0.774 nan 8.190 nan 0.000 0.469 293 M N 1.483 120.801 119.600 -0.470 0.000 2.240 293 M HA 0.215 4.698 4.480 0.005 0.000 0.257 293 M C 0.331 176.071 176.300 -0.932 0.000 1.107 293 M CA 1.262 56.024 55.300 -0.897 0.000 1.169 293 M CB -0.115 31.698 32.600 -1.312 0.000 1.307 293 M HN 0.513 nan 8.290 nan 0.000 0.447 294 W N -0.036 121.142 121.300 -0.204 0.000 2.736 294 W HA 0.633 5.296 4.660 0.004 0.000 0.335 294 W C 0.568 177.087 176.519 -0.001 0.000 1.059 294 W CA -1.249 55.957 57.345 -0.233 0.000 1.226 294 W CB 0.622 29.754 29.460 -0.547 0.000 1.416 294 W HN 0.172 nan 8.180 nan 0.000 0.505 295 G N 0.289 109.329 108.800 0.399 0.000 2.667 295 G HA2 0.148 4.111 3.960 0.005 0.000 0.250 295 G HA3 0.148 4.111 3.960 0.005 0.000 0.250 295 G C 0.674 175.803 174.900 0.381 0.000 1.212 295 G CA -0.499 44.797 45.100 0.326 0.000 0.874 295 G HN 0.560 nan 8.290 nan 0.000 0.561 296 S N -0.382 115.463 115.700 0.242 0.000 2.488 296 S HA -0.132 4.341 4.470 0.005 0.000 0.246 296 S C 2.212 176.943 174.600 0.218 0.000 0.992 296 S CA 0.931 59.254 58.200 0.205 0.000 0.963 296 S CB -0.157 63.116 63.200 0.121 0.000 0.754 296 S HN 0.585 nan 8.310 nan 0.000 0.519 297 R N -0.689 119.957 120.500 0.244 0.000 2.276 297 R HA -0.005 4.338 4.340 0.005 0.000 0.203 297 R C 1.059 177.445 176.300 0.145 0.000 1.017 297 R CA 0.786 56.972 56.100 0.142 0.000 1.010 297 R CB -0.107 30.229 30.300 0.060 0.000 0.900 297 R HN 0.504 nan 8.270 nan 0.000 0.469 298 W N 0.468 121.881 121.300 0.189 0.000 3.077 298 W HA 0.099 4.761 4.660 0.004 0.000 0.266 298 W C 1.212 177.814 176.519 0.138 0.000 1.300 298 W CA -0.206 57.228 57.345 0.148 0.000 1.586 298 W CB 0.233 29.725 29.460 0.052 0.000 1.103 298 W HN -0.020 nan 8.180 nan 0.000 0.652 299 D N 1.003 121.603 120.400 0.333 0.000 2.097 299 D HA -0.220 4.423 4.640 0.005 0.000 0.195 299 D C 1.931 178.345 176.300 0.190 0.000 0.989 299 D CA 1.982 56.123 54.000 0.236 0.000 0.827 299 D CB -0.627 40.284 40.800 0.185 0.000 0.966 299 D HN 0.461 nan 8.370 nan 0.000 0.456 300 E N 0.613 120.920 120.200 0.178 0.000 2.077 300 E HA -0.175 4.178 4.350 0.005 0.000 0.193 300 E C 2.005 178.705 176.600 0.166 0.000 0.989 300 E CA 0.652 57.145 56.400 0.154 0.000 0.800 300 E CB -0.308 29.480 29.700 0.148 0.000 0.746 300 E HN 0.084 nan 8.360 nan 0.000 0.452 301 L N 1.192 122.532 121.223 0.196 0.000 1.976 301 L HA -0.113 4.230 4.340 0.005 0.000 0.209 301 L C 2.582 179.553 176.870 0.167 0.000 1.071 301 L CA 1.541 56.472 54.840 0.153 0.000 0.746 301 L CB -1.013 41.118 42.059 0.121 0.000 0.890 301 L HN 0.256 nan 8.230 nan 0.000 0.432 302 L N -0.956 120.394 121.223 0.212 0.000 2.191 302 L HA -0.206 4.136 4.340 0.005 0.000 0.212 302 L C 2.656 179.604 176.870 0.130 0.000 1.103 302 L CA 0.831 55.778 54.840 0.177 0.000 0.769 302 L CB -0.405 41.772 42.059 0.196 0.000 0.908 302 L HN 0.302 nan 8.230 nan 0.000 0.438 303 R N 2.002 122.577 120.500 0.125 0.000 2.066 303 R HA -0.181 4.162 4.340 0.005 0.000 0.232 303 R C 2.100 178.447 176.300 0.078 0.000 1.131 303 R CA 1.897 58.054 56.100 0.096 0.000 0.955 303 R CB -0.363 29.993 30.300 0.094 0.000 0.851 303 R HN 0.379 nan 8.270 nan 0.000 0.432 304 K N -0.189 120.258 120.400 0.079 0.000 2.487 304 K HA -0.024 4.299 4.320 0.005 0.000 0.192 304 K C -0.143 176.488 176.600 0.053 0.000 1.027 304 K CA 0.784 57.107 56.287 0.061 0.000 1.054 304 K CB 0.016 32.552 32.500 0.061 0.000 0.824 304 K HN 0.098 nan 8.250 nan 0.000 0.510 305 D N 2.211 122.648 120.400 0.062 0.000 2.671 305 D HA 0.018 4.660 4.640 0.005 0.000 0.228 305 D C 0.296 176.617 176.300 0.036 0.000 1.102 305 D CA 0.083 54.114 54.000 0.051 0.000 1.044 305 D CB 0.371 41.211 40.800 0.067 0.000 1.113 305 D HN 0.209 nan 8.370 nan 0.000 0.480 306 T N -0.896 113.676 114.554 0.029 0.000 2.737 306 T HA -0.279 4.073 4.350 0.005 0.000 0.269 306 T C 2.059 176.765 174.700 0.010 0.000 1.040 306 T CA 1.554 63.667 62.100 0.021 0.000 1.142 306 T CB -0.448 68.431 68.868 0.019 0.000 0.861 306 T HN 0.438 nan 8.240 nan 0.000 0.456 307 S N 1.245 116.947 115.700 0.003 0.000 2.442 307 S HA 0.136 4.608 4.470 0.005 0.000 0.236 307 S C 2.096 176.681 174.600 -0.026 0.000 1.007 307 S CA 1.074 59.266 58.200 -0.014 0.000 0.965 307 S CB -1.024 62.161 63.200 -0.025 0.000 0.773 307 S HN 1.054 nan 8.310 nan 0.000 0.504 308 G N 1.205 109.998 108.800 -0.012 0.000 2.155 308 G HA2 -0.266 3.697 3.960 0.005 0.000 0.257 308 G HA3 -0.266 3.697 3.960 0.005 0.000 0.257 308 G C 0.827 175.697 174.900 -0.051 0.000 0.983 308 G CA 0.542 45.634 45.100 -0.012 0.000 0.676 308 G HN 0.488 nan 8.290 nan 0.000 0.528 309 K N -0.729 119.620 120.400 -0.085 0.000 2.296 309 K HA 0.161 4.484 4.320 0.005 0.000 0.200 309 K C 2.436 178.941 176.600 -0.159 0.000 1.048 309 K CA 1.119 57.290 56.287 -0.194 0.000 0.966 309 K CB -0.101 32.258 32.500 -0.234 0.000 0.754 309 K HN 0.465 nan 8.250 nan 0.000 0.466 310 L N 1.543 122.743 121.223 -0.038 0.000 2.027 310 L HA -0.068 4.275 4.340 0.005 0.000 0.206 310 L C 1.994 178.880 176.870 0.026 0.000 1.074 310 L CA 1.347 56.194 54.840 0.011 0.000 0.745 310 L CB -0.394 41.738 42.059 0.123 0.000 0.898 310 L HN 0.034 nan 8.230 nan 0.000 0.433 311 I N -0.565 120.035 120.570 0.049 0.000 2.151 311 I HA -0.388 3.785 4.170 0.005 0.000 0.243 311 I C 2.621 178.778 176.117 0.067 0.000 1.080 311 I CA 1.872 63.227 61.300 0.091 0.000 1.339 311 I CB -0.355 37.693 38.000 0.079 0.000 1.039 311 I HN 0.511 nan 8.210 nan 0.000 0.409 312 Q N 0.826 120.613 119.800 -0.022 0.000 2.077 312 Q HA -0.285 4.058 4.340 0.005 0.000 0.206 312 Q C 2.327 178.306 176.000 -0.035 0.000 0.989 312 Q CA 2.040 57.807 55.803 -0.060 0.000 0.853 312 Q CB -0.213 28.419 28.738 -0.178 0.000 0.907 312 Q HN 0.436 nan 8.270 nan 0.000 0.418 313 L N 0.423 121.601 121.223 -0.075 0.000 2.042 313 L HA -0.178 4.165 4.340 0.005 0.000 0.210 313 L C 2.142 179.056 176.870 0.073 0.000 1.076 313 L CA 1.952 56.762 54.840 -0.051 0.000 0.749 313 L CB -0.455 41.460 42.059 -0.240 0.000 0.893 313 L HN 0.353 nan 8.230 nan 0.000 0.432 314 M N -0.715 119.016 119.600 0.218 0.000 2.229 314 M HA -0.140 4.343 4.480 0.005 0.000 0.264 314 M C 1.855 178.326 176.300 0.286 0.000 1.063 314 M CA 1.337 56.952 55.300 0.525 0.000 1.114 314 M CB -0.570 32.411 32.600 0.635 0.000 1.387 314 M HN 0.293 nan 8.290 nan 0.000 0.420 315 N N 1.042 119.836 118.700 0.156 0.000 2.142 315 N HA -0.165 4.578 4.740 0.005 0.000 0.186 315 N C 1.518 176.997 175.510 -0.052 0.000 1.023 315 N CA 1.619 54.684 53.050 0.025 0.000 0.852 315 N CB -0.369 38.152 38.487 0.057 0.000 0.998 315 N HN 0.589 nan 8.380 nan 0.000 0.424 316 E N -0.455 119.749 120.200 0.006 0.000 2.358 316 E HA -0.003 4.350 4.350 0.005 0.000 0.195 316 E C -0.162 176.430 176.600 -0.013 0.000 1.010 316 E CA 0.480 56.880 56.400 -0.000 0.000 0.856 316 E CB -0.331 29.389 29.700 0.034 0.000 0.795 316 E HN -0.024 nan 8.360 nan 0.000 0.504 317 T N 2.975 117.529 114.554 0.000 0.000 2.834 317 T HA 0.246 4.599 4.350 0.005 0.000 0.298 317 T C 0.252 174.895 174.700 -0.096 0.000 0.966 317 T CA -0.439 61.608 62.100 -0.088 0.000 1.141 317 T CB 1.251 69.966 68.868 -0.254 0.000 0.905 317 T HN 0.153 nan 8.240 nan 0.000 0.535 318 V N 1.201 121.063 119.914 -0.087 0.000 2.785 318 V HA 0.281 4.404 4.120 0.005 0.000 0.300 318 V C 1.092 177.223 176.094 0.063 0.000 1.062 318 V CA -0.854 61.437 62.300 -0.016 0.000 1.029 318 V CB 0.800 32.609 31.823 -0.023 0.000 1.024 318 V HN 0.674 nan 8.190 nan 0.000 0.477 319 D N 3.142 123.623 120.400 0.135 0.000 2.292 319 D HA -0.170 4.473 4.640 0.005 0.000 0.205 319 D C 1.997 178.363 176.300 0.111 0.000 0.994 319 D CA 1.972 56.090 54.000 0.196 0.000 0.897 319 D CB -0.340 40.530 40.800 0.117 0.000 0.907 319 D HN 0.890 nan 8.370 nan 0.000 0.467 320 G N 0.834 109.645 108.800 0.019 0.000 2.408 320 G HA2 -0.216 3.747 3.960 0.005 0.000 0.217 320 G HA3 -0.216 3.747 3.960 0.005 0.000 0.217 320 G C 1.317 176.137 174.900 -0.134 0.000 1.150 320 G CA 0.621 45.700 45.100 -0.035 0.000 0.776 320 G HN 0.185 nan 8.290 nan 0.000 0.542 321 D N -0.216 120.025 120.400 -0.265 0.000 2.162 321 D HA -0.035 4.608 4.640 0.005 0.000 0.203 321 D C 2.047 177.772 176.300 -0.959 0.000 0.967 321 D CA 0.498 54.115 54.000 -0.638 0.000 0.840 321 D CB -0.275 40.111 40.800 -0.691 0.000 0.972 321 D HN 0.335 nan 8.370 nan 0.000 0.482 322 Y N 1.777 121.866 120.300 -0.351 0.000 2.207 322 Y HA -0.155 4.398 4.550 0.006 0.000 0.287 322 Y C 2.570 178.479 175.900 0.015 0.000 1.156 322 Y CA 0.957 59.047 58.100 -0.017 0.000 1.182 322 Y CB -0.262 38.344 38.460 0.243 0.000 0.979 322 Y HN -0.057 nan 8.280 nan 0.000 0.521 323 Q N -0.807 119.062 119.800 0.115 0.000 2.119 323 Q HA -0.109 4.234 4.340 0.005 0.000 0.201 323 Q C 2.229 178.250 176.000 0.034 0.000 0.972 323 Q CA 1.735 57.597 55.803 0.099 0.000 0.847 323 Q CB -0.935 27.846 28.738 0.072 0.000 0.903 323 Q HN 0.420 nan 8.270 nan 0.000 0.433 324 T N 1.166 115.656 114.554 -0.106 0.000 2.867 324 T HA -0.071 4.282 4.350 0.005 0.000 0.268 324 T C 1.437 176.092 174.700 -0.074 0.000 1.057 324 T CA 0.784 62.793 62.100 -0.151 0.000 1.136 324 T CB -0.199 68.525 68.868 -0.240 0.000 0.874 324 T HN 0.095 nan 8.240 nan 0.000 0.466 325 F N 2.359 122.355 119.950 0.077 0.000 2.113 325 F HA 0.026 4.555 4.527 0.004 0.000 0.297 325 F C 2.216 178.194 175.800 0.297 0.000 1.103 325 F CA 0.581 58.680 58.000 0.166 0.000 1.248 325 F CB -0.782 38.362 39.000 0.240 0.000 0.999 325 F HN 0.259 nan 8.300 nan 0.000 0.475 326 K N 0.059 120.722 120.400 0.439 0.000 2.362 326 K HA -0.037 4.286 4.320 0.005 0.000 0.200 326 K C 1.410 178.275 176.600 0.442 0.000 1.046 326 K CA 1.392 57.905 56.287 0.376 0.000 0.952 326 K CB -0.624 32.000 32.500 0.206 0.000 0.753 326 K HN 0.269 nan 8.250 nan 0.000 0.466 327 S N -0.535 115.331 115.700 0.278 0.000 2.556 327 S HA 0.201 4.674 4.470 0.005 0.000 0.216 327 S C 0.928 175.579 174.600 0.085 0.000 0.970 327 S CA -0.469 57.832 58.200 0.168 0.000 0.912 327 S CB 0.192 63.432 63.200 0.066 0.000 0.790 327 S HN 0.078 nan 8.310 nan 0.000 0.504 328 K N 1.948 122.419 120.400 0.118 0.000 4.310 328 K HA 0.459 4.782 4.320 0.005 0.000 0.185 328 K C -0.353 175.965 176.600 -0.470 0.000 1.134 328 K CA 0.452 56.646 56.287 -0.156 0.000 1.860 328 K CB -0.387 31.901 32.500 -0.352 0.000 2.614 328 K HN 0.581 nan 8.250 nan 0.000 0.570 329 D N -3.900 116.104 120.400 -0.659 0.000 2.807 329 D HA 0.198 4.841 4.640 0.005 0.000 0.279 329 D C 0.742 176.797 176.300 -0.408 0.000 1.247 329 D CA -0.279 52.961 54.000 -1.267 0.000 0.749 329 D CB 0.074 40.488 40.800 -0.643 0.000 1.264 329 D HN 0.256 nan 8.370 nan 0.000 0.421 330 G N -0.096 108.559 108.800 -0.243 0.000 2.476 330 G HA2 -0.156 3.807 3.960 0.005 0.000 0.218 330 G HA3 -0.156 3.807 3.960 0.005 0.000 0.218 330 G C 1.446 176.469 174.900 0.204 0.000 1.164 330 G CA 1.786 47.032 45.100 0.243 0.000 0.768 330 G HN 0.802 nan 8.290 nan 0.000 0.560 331 A N -0.114 122.772 122.820 0.111 0.000 1.883 331 A HA -0.075 4.248 4.320 0.005 0.000 0.217 331 A C 2.247 179.951 177.584 0.199 0.000 1.186 331 A CA 1.844 53.954 52.037 0.121 0.000 0.624 331 A CB -0.777 18.267 19.000 0.074 0.000 0.822 331 A HN 0.476 nan 8.150 nan 0.000 0.444 332 Y N 0.667 121.056 120.300 0.147 0.000 2.128 332 Y HA -0.206 4.346 4.550 0.003 0.000 0.284 332 Y C 2.425 178.557 175.900 0.385 0.000 1.154 332 Y CA 1.972 60.259 58.100 0.313 0.000 1.149 332 Y CB -0.436 38.138 38.460 0.190 0.000 0.976 332 Y HN 0.067 nan 8.280 nan 0.000 0.505 333 V N 1.072 121.299 119.914 0.520 0.000 2.407 333 V HA -0.297 3.826 4.120 0.005 0.000 0.248 333 V C 2.553 178.813 176.094 0.276 0.000 1.055 333 V CA 2.192 64.663 62.300 0.284 0.000 1.049 333 V CB -0.747 31.245 31.823 0.282 0.000 0.662 333 V HN 0.382 nan 8.190 nan 0.000 0.455 334 R N -0.036 120.628 120.500 0.272 0.000 2.096 334 R HA -0.218 4.125 4.340 0.005 0.000 0.235 334 R C 2.278 178.646 176.300 0.114 0.000 1.127 334 R CA 2.141 58.369 56.100 0.214 0.000 0.968 334 R CB -0.074 30.287 30.300 0.101 0.000 0.861 334 R HN 0.702 nan 8.270 nan 0.000 0.440 335 E N -0.862 119.350 120.200 0.021 0.000 2.045 335 E HA -0.120 4.233 4.350 0.005 0.000 0.190 335 E C 1.363 177.804 176.600 -0.264 0.000 0.968 335 E CA 0.674 56.961 56.400 -0.189 0.000 0.813 335 E CB 0.038 29.510 29.700 -0.380 0.000 0.780 335 E HN 0.515 nan 8.360 nan 0.000 0.455 336 H N -1.568 117.448 119.070 -0.089 0.000 2.555 336 H HA 0.081 4.640 4.556 0.003 0.000 0.269 336 H C 0.705 176.140 175.328 0.178 0.000 0.988 336 H CA 0.973 57.045 56.048 0.041 0.000 1.178 336 H CB 0.264 30.099 29.762 0.123 0.000 1.373 336 H HN 0.187 nan 8.280 nan 0.000 0.588 337 F N -1.624 118.272 119.950 -0.090 0.000 2.182 337 F HA 0.132 4.661 4.527 0.004 0.000 0.254 337 F C 1.156 176.835 175.800 -0.201 0.000 0.972 337 F CA -0.196 57.657 58.000 -0.244 0.000 1.182 337 F CB -0.440 38.108 39.000 -0.753 0.000 1.382 337 F HN -0.096 nan 8.300 nan 0.000 0.718 338 F N 1.420 121.367 119.950 -0.004 0.000 2.216 338 F HA 0.063 4.593 4.527 0.004 0.000 0.300 338 F C 2.587 178.308 175.800 -0.132 0.000 1.085 338 F CA 1.548 59.483 58.000 -0.109 0.000 1.326 338 F CB -1.225 37.742 39.000 -0.054 0.000 1.027 338 F HN 0.178 nan 8.300 nan 0.000 0.497 339 G N -0.827 108.000 108.800 0.045 0.000 2.586 339 G HA2 -0.269 3.694 3.960 0.005 0.000 0.215 339 G HA3 -0.269 3.694 3.960 0.005 0.000 0.215 339 G C 1.662 176.476 174.900 -0.144 0.000 1.128 339 G CA 0.615 45.683 45.100 -0.053 0.000 0.774 339 G HN 0.178 nan 8.290 nan 0.000 0.543 340 K N -0.347 119.928 120.400 -0.210 0.000 2.057 340 K HA -0.005 4.318 4.320 0.005 0.000 0.207 340 K C -0.182 176.034 176.600 -0.639 0.000 1.049 340 K CA 0.677 56.716 56.287 -0.414 0.000 0.931 340 K CB -0.217 32.011 32.500 -0.452 0.000 0.714 340 K HN 0.370 nan 8.250 nan 0.000 0.440 341 Y N -1.371 118.872 120.300 -0.095 0.000 2.485 341 Y HA 0.272 4.825 4.550 0.006 0.000 0.345 341 Y C -1.823 174.051 175.900 -0.043 0.000 0.998 341 Y CA -2.697 55.364 58.100 -0.065 0.000 1.059 341 Y CB 1.878 40.296 38.460 -0.070 0.000 1.234 341 Y HN -0.118 nan 8.280 nan 0.000 0.461 342 P HA -0.174 nan 4.420 nan 0.000 0.215 342 P C 1.087 178.423 177.300 0.059 0.000 1.153 342 P CA 1.847 64.979 63.100 0.053 0.000 0.853 342 P CB 0.382 32.108 31.700 0.043 0.000 0.788 343 E N -0.457 119.793 120.200 0.084 0.000 2.153 343 E HA -0.158 4.195 4.350 0.005 0.000 0.194 343 E C 1.573 178.209 176.600 0.061 0.000 0.988 343 E CA 2.044 58.475 56.400 0.053 0.000 0.811 343 E CB -1.741 27.977 29.700 0.030 0.000 0.746 343 E HN 0.370 nan 8.360 nan 0.000 0.466 344 T N -1.731 112.889 114.554 0.110 0.000 3.067 344 T HA 0.392 4.745 4.350 0.005 0.000 0.257 344 T C 1.973 176.766 174.700 0.155 0.000 1.105 344 T CA 0.534 62.734 62.100 0.167 0.000 1.104 344 T CB 0.215 69.193 68.868 0.185 0.000 0.925 344 T HN 0.222 nan 8.240 nan 0.000 0.498 345 A N 1.097 123.956 122.820 0.066 0.000 2.072 345 A HA 0.671 4.993 4.320 0.005 0.000 0.216 345 A C 2.521 180.056 177.584 -0.082 0.000 1.156 345 A CA 0.892 52.927 52.037 -0.003 0.000 0.701 345 A CB -0.787 18.210 19.000 -0.005 0.000 0.816 345 A HN 0.638 nan 8.150 nan 0.000 0.458 346 A N -0.332 122.455 122.820 -0.055 0.000 2.081 346 A HA 0.241 4.564 4.320 0.005 0.000 0.214 346 A C 1.960 179.480 177.584 -0.107 0.000 1.158 346 A CA 0.608 52.608 52.037 -0.063 0.000 0.724 346 A CB -0.381 18.605 19.000 -0.022 0.000 0.826 346 A HN 0.428 nan 8.150 nan 0.000 0.463 347 L N -0.081 121.052 121.223 -0.150 0.000 2.046 347 L HA -0.127 4.215 4.340 0.005 0.000 0.208 347 L C 2.293 178.876 176.870 -0.479 0.000 1.077 347 L CA 1.730 56.441 54.840 -0.215 0.000 0.747 347 L CB -0.558 41.398 42.059 -0.172 0.000 0.896 347 L HN 0.430 nan 8.230 nan 0.000 0.432 348 V N -4.149 115.318 119.914 -0.746 0.000 3.647 348 V HA 0.311 4.434 4.120 0.005 0.000 0.279 348 V C 2.347 178.208 176.094 -0.388 0.000 1.314 348 V CA 0.515 62.177 62.300 -1.063 0.000 1.125 348 V CB -0.215 30.762 31.823 -1.411 0.000 0.907 348 V HN 0.211 nan 8.190 nan 0.000 0.434 349 A N 2.616 125.308 122.820 -0.213 0.000 1.954 349 A HA -0.317 4.006 4.320 0.005 0.000 0.222 349 A C 1.919 179.504 177.584 0.002 0.000 1.199 349 A CA 2.661 54.652 52.037 -0.077 0.000 0.657 349 A CB -0.704 18.269 19.000 -0.046 0.000 0.823 349 A HN 0.842 nan 8.150 nan 0.000 0.463 350 D N -3.276 117.171 120.400 0.079 0.000 2.379 350 D HA 0.015 4.658 4.640 0.005 0.000 0.208 350 D C 0.260 176.675 176.300 0.190 0.000 1.065 350 D CA -0.379 53.689 54.000 0.114 0.000 0.848 350 D CB -0.344 40.512 40.800 0.093 0.000 0.949 350 D HN 0.504 nan 8.370 nan 0.000 0.509 351 W N 3.047 124.282 121.300 -0.109 0.000 2.034 351 W HA 0.246 4.909 4.660 0.005 0.000 0.357 351 W C 1.267 177.740 176.519 -0.078 0.000 1.326 351 W CA -0.383 56.897 57.345 -0.109 0.000 1.318 351 W CB 0.098 29.457 29.460 -0.168 0.000 1.193 351 W HN -0.220 nan 8.180 nan 0.000 0.620 352 T N -1.731 112.933 114.554 0.184 0.000 2.927 352 T HA 0.192 4.545 4.350 0.005 0.000 0.281 352 T C 0.533 175.324 174.700 0.152 0.000 0.998 352 T CA -0.672 61.495 62.100 0.111 0.000 1.019 352 T CB 1.338 70.238 68.868 0.053 0.000 1.061 352 T HN 0.251 nan 8.240 nan 0.000 0.518 353 D N 0.575 121.042 120.400 0.111 0.000 2.123 353 D HA -0.071 4.572 4.640 0.005 0.000 0.196 353 D C 1.875 178.288 176.300 0.188 0.000 0.992 353 D CA 1.284 55.362 54.000 0.131 0.000 0.833 353 D CB -0.179 40.667 40.800 0.077 0.000 0.954 353 D HN 0.669 nan 8.370 nan 0.000 0.455 354 E N 1.011 121.300 120.200 0.148 0.000 2.012 354 E HA -0.201 4.152 4.350 0.005 0.000 0.197 354 E C 2.154 178.890 176.600 0.226 0.000 1.007 354 E CA 1.049 57.557 56.400 0.181 0.000 0.816 354 E CB -0.533 29.228 29.700 0.101 0.000 0.762 354 E HN 0.363 nan 8.360 nan 0.000 0.451 355 Q N 0.045 119.933 119.800 0.146 0.000 2.118 355 Q HA -0.223 4.119 4.340 0.005 0.000 0.211 355 Q C 2.334 178.538 176.000 0.339 0.000 0.998 355 Q CA 1.784 57.648 55.803 0.102 0.000 0.872 355 Q CB -0.454 28.217 28.738 -0.111 0.000 0.925 355 Q HN 0.335 nan 8.270 nan 0.000 0.414 356 I N -0.507 120.347 120.570 0.474 0.000 2.264 356 I HA -0.289 3.884 4.170 0.005 0.000 0.248 356 I C 2.157 178.474 176.117 0.333 0.000 1.111 356 I CA 1.073 62.589 61.300 0.360 0.000 1.382 356 I CB -0.437 37.676 38.000 0.188 0.000 1.060 356 I HN 0.491 nan 8.210 nan 0.000 0.418 357 W N 1.722 123.109 121.300 0.145 0.000 2.374 357 W HA -0.216 4.448 4.660 0.006 0.000 0.288 357 W C 2.489 179.089 176.519 0.135 0.000 1.218 357 W CA 1.109 58.535 57.345 0.134 0.000 1.245 357 W CB 0.123 29.648 29.460 0.108 0.000 1.126 357 W HN 0.153 nan 8.180 nan 0.000 0.545 358 A N 0.937 123.841 122.820 0.141 0.000 2.024 358 A HA -0.098 4.225 4.320 0.005 0.000 0.220 358 A C 1.180 178.772 177.584 0.013 0.000 1.164 358 A CA 0.683 52.740 52.037 0.032 0.000 0.643 358 A CB -1.037 17.993 19.000 0.049 0.000 0.806 358 A HN 0.212 nan 8.150 nan 0.000 0.451 359 L N 0.628 121.873 121.223 0.038 0.000 2.593 359 L HA -0.032 4.311 4.340 0.005 0.000 0.287 359 L C 0.297 177.301 176.870 0.223 0.000 1.243 359 L CA 0.151 55.026 54.840 0.058 0.000 0.890 359 L CB -0.162 41.803 42.059 -0.157 0.000 1.134 359 L HN 0.456 nan 8.230 nan 0.000 0.502 360 N N 1.936 120.902 118.700 0.444 0.000 2.525 360 N HA 0.420 5.163 4.740 0.005 0.000 0.270 360 N C -1.084 174.653 175.510 0.379 0.000 1.321 360 N CA -0.817 52.412 53.050 0.299 0.000 0.797 360 N CB 1.646 40.228 38.487 0.160 0.000 1.529 360 N HN 0.342 nan 8.380 nan 0.000 0.491 361 R N -0.265 120.304 120.500 0.116 0.000 2.531 361 R HA 0.355 4.698 4.340 0.005 0.000 0.273 361 R C 1.311 177.573 176.300 -0.065 0.000 1.070 361 R CA -0.051 55.978 56.100 -0.118 0.000 1.112 361 R CB 0.404 30.343 30.300 -0.603 0.000 1.049 361 R HN 0.763 nan 8.270 nan 0.000 0.508 362 G N 1.490 110.195 108.800 -0.157 0.000 2.513 362 G HA2 -0.304 3.658 3.960 0.005 0.000 0.219 362 G HA3 -0.304 3.658 3.960 0.005 0.000 0.219 362 G C 1.328 176.154 174.900 -0.122 0.000 1.160 362 G CA 0.947 45.984 45.100 -0.105 0.000 0.767 362 G HN 0.760 nan 8.290 nan 0.000 0.571 363 G N -1.152 107.518 108.800 -0.216 0.000 2.615 363 G HA2 -0.103 3.860 3.960 0.005 0.000 0.213 363 G HA3 -0.103 3.860 3.960 0.005 0.000 0.213 363 G C 1.118 175.735 174.900 -0.473 0.000 1.135 363 G CA 0.681 45.596 45.100 -0.308 0.000 0.772 363 G HN 0.605 nan 8.290 nan 0.000 0.542 364 H N -0.822 118.147 119.070 -0.167 0.000 2.662 364 H HA 0.140 4.699 4.556 0.005 0.000 0.268 364 H C -0.687 174.598 175.328 -0.071 0.000 1.152 364 H CA -0.305 55.627 56.048 -0.194 0.000 1.072 364 H CB 1.099 30.619 29.762 -0.403 0.000 1.660 364 H HN 0.287 nan 8.280 nan 0.000 0.584 365 D N 1.279 121.698 120.400 0.032 0.000 2.462 365 D HA 0.164 4.807 4.640 0.005 0.000 0.245 365 D C -2.112 174.190 176.300 0.004 0.000 1.122 365 D CA -2.028 51.993 54.000 0.035 0.000 0.864 365 D CB 2.578 43.417 40.800 0.064 0.000 1.098 365 D HN -0.050 nan 8.370 nan 0.000 0.541 366 P HA -0.150 nan 4.420 nan 0.000 0.216 366 P C 1.092 178.373 177.300 -0.031 0.000 1.153 366 P CA 1.431 64.484 63.100 -0.078 0.000 0.858 366 P CB 0.413 31.916 31.700 -0.327 0.000 0.789 367 K N -0.569 119.747 120.400 -0.140 0.000 2.063 367 K HA -0.186 4.137 4.320 0.005 0.000 0.208 367 K C 2.009 178.721 176.600 0.186 0.000 1.048 367 K CA 1.462 57.781 56.287 0.052 0.000 0.928 367 K CB -0.259 32.248 32.500 0.012 0.000 0.713 367 K HN -0.032 nan 8.250 nan 0.000 0.442 368 K N 1.028 121.498 120.400 0.117 0.000 2.062 368 K HA 0.037 4.360 4.320 0.005 0.000 0.205 368 K C 1.852 178.518 176.600 0.110 0.000 1.051 368 K CA 0.968 57.316 56.287 0.101 0.000 0.941 368 K CB -0.182 32.352 32.500 0.056 0.000 0.719 368 K HN 0.115 nan 8.250 nan 0.000 0.440 369 I N -0.507 120.144 120.570 0.136 0.000 2.286 369 I HA -0.297 3.876 4.170 0.005 0.000 0.248 369 I C 2.004 178.314 176.117 0.322 0.000 1.115 369 I CA 1.195 62.608 61.300 0.188 0.000 1.392 369 I CB -0.223 37.885 38.000 0.181 0.000 1.065 369 I HN 0.126 nan 8.210 nan 0.000 0.418 370 Y N 1.589 122.055 120.300 0.277 0.000 2.220 370 Y HA -0.178 4.375 4.550 0.005 0.000 0.291 370 Y C 2.538 178.615 175.900 0.294 0.000 1.129 370 Y CA 1.339 59.664 58.100 0.376 0.000 1.161 370 Y CB -0.204 38.515 38.460 0.431 0.000 0.997 370 Y HN 0.090 nan 8.280 nan 0.000 0.522 371 A N 0.486 123.474 122.820 0.279 0.000 1.933 371 A HA -0.113 4.210 4.320 0.005 0.000 0.218 371 A C 2.397 179.972 177.584 -0.015 0.000 1.175 371 A CA 1.761 53.885 52.037 0.144 0.000 0.628 371 A CB -1.453 17.639 19.000 0.154 0.000 0.814 371 A HN 0.589 nan 8.150 nan 0.000 0.444 372 A N -0.902 121.881 122.820 -0.062 0.000 1.858 372 A HA -0.050 4.273 4.320 0.005 0.000 0.216 372 A C 1.967 179.339 177.584 -0.353 0.000 1.190 372 A CA 1.601 53.504 52.037 -0.224 0.000 0.617 372 A CB -0.851 17.957 19.000 -0.320 0.000 0.827 372 A HN 0.477 nan 8.150 nan 0.000 0.443 373 F N -0.244 119.476 119.950 -0.383 0.000 2.234 373 F HA -0.094 4.436 4.527 0.005 0.000 0.299 373 F C 2.296 177.791 175.800 -0.509 0.000 1.087 373 F CA 1.735 59.349 58.000 -0.644 0.000 1.340 373 F CB -0.071 38.094 39.000 -1.392 0.000 1.031 373 F HN 0.115 nan 8.300 nan 0.000 0.500 374 K N 0.929 121.229 120.400 -0.167 0.000 2.007 374 K HA -0.161 4.162 4.320 0.005 0.000 0.206 374 K C 2.047 178.643 176.600 -0.007 0.000 1.047 374 K CA 1.331 57.619 56.287 0.001 0.000 0.937 374 K CB -0.270 32.178 32.500 -0.086 0.000 0.718 374 K HN -0.078 nan 8.250 nan 0.000 0.438 375 K N 0.420 120.788 120.400 -0.052 0.000 2.009 375 K HA -0.060 4.263 4.320 0.005 0.000 0.210 375 K C 1.830 178.384 176.600 -0.076 0.000 1.049 375 K CA 1.864 58.120 56.287 -0.051 0.000 0.929 375 K CB -0.824 31.636 32.500 -0.066 0.000 0.714 375 K HN 0.164 nan 8.250 nan 0.000 0.440 376 A N 0.619 123.358 122.820 -0.135 0.000 1.986 376 A HA -0.289 4.034 4.320 0.005 0.000 0.220 376 A C 2.216 179.748 177.584 -0.087 0.000 1.171 376 A CA 2.071 54.021 52.037 -0.146 0.000 0.640 376 A CB -0.727 18.130 19.000 -0.238 0.000 0.811 376 A HN 0.646 nan 8.150 nan 0.000 0.451 377 Q N -0.120 119.661 119.800 -0.033 0.000 2.119 377 Q HA -0.181 4.162 4.340 0.005 0.000 0.201 377 Q C 1.260 177.266 176.000 0.010 0.000 0.972 377 Q CA 1.580 57.399 55.803 0.028 0.000 0.847 377 Q CB -0.107 28.711 28.738 0.134 0.000 0.903 377 Q HN 0.890 nan 8.270 nan 0.000 0.433 378 E N -0.245 119.956 120.200 0.002 0.000 2.403 378 E HA 0.094 4.447 4.350 0.005 0.000 0.188 378 E C -0.495 176.088 176.600 -0.027 0.000 1.056 378 E CA -0.026 56.372 56.400 -0.003 0.000 0.892 378 E CB 0.460 30.166 29.700 0.010 0.000 1.049 378 E HN -0.000 nan 8.360 nan 0.000 0.465 379 T N 1.590 116.115 114.554 -0.049 0.000 2.829 379 T HA 0.331 4.683 4.350 0.005 0.000 0.282 379 T C -0.154 174.497 174.700 -0.082 0.000 0.990 379 T CA -0.697 61.363 62.100 -0.067 0.000 1.028 379 T CB 1.489 70.306 68.868 -0.085 0.000 0.951 379 T HN -0.028 nan 8.240 nan 0.000 0.460 380 K N 0.726 121.078 120.400 -0.079 0.000 2.433 380 K HA 0.659 4.982 4.320 0.005 0.000 0.252 380 K C 0.991 177.531 176.600 -0.099 0.000 1.015 380 K CA -0.671 55.563 56.287 -0.088 0.000 0.860 380 K CB 1.885 34.346 32.500 -0.065 0.000 1.359 380 K HN 0.766 nan 8.250 nan 0.000 0.452 381 G N 0.887 109.622 108.800 -0.108 0.000 2.225 381 G HA2 -0.316 3.647 3.960 0.005 0.000 0.254 381 G HA3 -0.316 3.647 3.960 0.005 0.000 0.254 381 G C -0.228 174.576 174.900 -0.160 0.000 0.988 381 G CA 1.117 46.149 45.100 -0.113 0.000 0.625 381 G HN 0.621 nan 8.290 nan 0.000 0.527 382 K N -1.274 119.002 120.400 -0.207 0.000 2.597 382 K HA 0.800 5.123 4.320 0.005 0.000 0.282 382 K C -0.113 176.238 176.600 -0.416 0.000 0.975 382 K CA -0.505 55.594 56.287 -0.313 0.000 0.867 382 K CB 0.917 33.270 32.500 -0.244 0.000 1.465 382 K HN 1.192 nan 8.250 nan 0.000 0.417 383 A N 0.896 123.278 122.820 -0.730 0.000 2.296 383 A HA 0.614 4.937 4.320 0.005 0.000 0.264 383 A C -0.499 176.790 177.584 -0.492 0.000 1.097 383 A CA -0.111 51.411 52.037 -0.858 0.000 0.811 383 A CB 0.377 18.305 19.000 -1.787 0.000 1.072 383 A HN 0.622 nan 8.150 nan 0.000 0.495 384 T N -0.094 114.321 114.554 -0.231 0.000 2.893 384 T HA 0.541 4.894 4.350 0.005 0.000 0.293 384 T C -0.956 173.826 174.700 0.136 0.000 1.027 384 T CA -0.365 61.736 62.100 0.002 0.000 0.988 384 T CB 1.515 70.312 68.868 -0.118 0.000 1.043 384 T HN 0.490 nan 8.240 nan 0.000 0.461 385 V N 3.601 123.559 119.914 0.073 0.000 2.448 385 V HA 0.516 4.639 4.120 0.005 0.000 0.295 385 V C -0.385 175.545 176.094 -0.274 0.000 1.025 385 V CA -0.821 61.385 62.300 -0.157 0.000 0.859 385 V CB 1.538 33.029 31.823 -0.552 0.000 0.988 385 V HN 0.787 nan 8.190 nan 0.000 0.431 386 I N 5.770 126.138 120.570 -0.337 0.000 2.330 386 I HA 0.375 4.547 4.170 0.005 0.000 0.289 386 I C -0.451 175.447 176.117 -0.364 0.000 1.001 386 I CA -0.384 60.676 61.300 -0.399 0.000 1.193 386 I CB 1.381 39.022 38.000 -0.598 0.000 1.345 386 I HN 0.374 nan 8.210 nan 0.000 0.461 387 L N 6.968 127.992 121.223 -0.333 0.000 2.315 387 L HA 0.474 4.817 4.340 0.005 0.000 0.278 387 L C 0.522 177.219 176.870 -0.288 0.000 1.088 387 L CA -0.409 54.245 54.840 -0.309 0.000 0.899 387 L CB 0.655 42.530 42.059 -0.306 0.000 1.277 387 L HN 0.636 nan 8.230 nan 0.000 0.431 388 A N 2.621 125.291 122.820 -0.250 0.000 2.302 388 A HA 0.193 4.516 4.320 0.005 0.000 0.295 388 A C -0.255 177.223 177.584 -0.177 0.000 1.235 388 A CA -0.299 51.609 52.037 -0.215 0.000 0.876 388 A CB -0.142 18.749 19.000 -0.182 0.000 1.133 388 A HN 0.767 nan 8.150 nan 0.000 0.533 389 H N 2.830 121.684 119.070 -0.360 0.000 2.800 389 H HA 0.416 4.975 4.556 0.004 0.000 0.291 389 H C 0.316 175.474 175.328 -0.283 0.000 1.076 389 H CA 0.557 56.370 56.048 -0.392 0.000 1.452 389 H CB 0.523 29.894 29.762 -0.651 0.000 1.461 389 H HN 0.804 nan 8.280 nan 0.000 0.488 390 T N 2.254 116.747 114.554 -0.101 0.000 2.812 390 T HA 0.414 4.767 4.350 0.005 0.000 0.294 390 T C -0.434 174.293 174.700 0.044 0.000 1.159 390 T CA -0.983 61.056 62.100 -0.101 0.000 1.008 390 T CB 1.469 70.230 68.868 -0.180 0.000 1.289 390 T HN 0.397 nan 8.240 nan 0.000 0.514 391 I N 1.692 122.399 120.570 0.229 0.000 2.312 391 I HA 0.402 4.575 4.170 0.005 0.000 0.290 391 I C 0.003 176.263 176.117 0.239 0.000 1.008 391 I CA -0.836 60.564 61.300 0.168 0.000 1.226 391 I CB 1.506 39.560 38.000 0.089 0.000 1.371 391 I HN 0.591 nan 8.210 nan 0.000 0.468 392 K N 5.762 126.279 120.400 0.195 0.000 2.416 392 K HA 0.374 4.697 4.320 0.005 0.000 0.283 392 K C 0.584 177.317 176.600 0.220 0.000 1.037 392 K CA 0.479 56.888 56.287 0.204 0.000 0.995 392 K CB 0.368 32.970 32.500 0.171 0.000 0.938 392 K HN 0.776 nan 8.250 nan 0.000 0.475 393 G N 3.963 112.909 108.800 0.244 0.000 2.385 393 G HA2 -0.288 3.675 3.960 0.005 0.000 0.294 393 G HA3 -0.288 3.675 3.960 0.005 0.000 0.294 393 G C -0.855 174.211 174.900 0.276 0.000 1.070 393 G CA 0.150 45.392 45.100 0.236 0.000 1.172 393 G HN 0.632 nan 8.290 nan 0.000 0.516 394 Y N 0.677 121.076 120.300 0.165 0.000 2.335 394 Y HA 0.449 5.001 4.550 0.005 0.000 0.331 394 Y C 1.544 177.611 175.900 0.278 0.000 1.094 394 Y CA 0.524 58.710 58.100 0.144 0.000 1.253 394 Y CB 1.146 39.661 38.460 0.091 0.000 1.203 394 Y HN 1.421 nan 8.280 nan 0.000 0.508 395 G N 4.521 113.134 108.800 -0.313 0.000 2.396 395 G HA2 -0.394 3.569 3.960 0.005 0.000 0.242 395 G HA3 -0.394 3.569 3.960 0.005 0.000 0.242 395 G C 1.081 176.000 174.900 0.030 0.000 1.069 395 G CA 0.782 45.714 45.100 -0.281 0.000 0.633 395 G HN 0.637 nan 8.290 nan 0.000 0.517 396 M N 0.271 119.981 119.600 0.183 0.000 2.132 396 M HA 0.247 4.730 4.480 0.005 0.000 0.263 396 M C 2.564 179.048 176.300 0.306 0.000 1.065 396 M CA 2.273 57.732 55.300 0.265 0.000 1.122 396 M CB -0.701 32.022 32.600 0.205 0.000 1.365 396 M HN 1.435 nan 8.290 nan 0.000 0.411 397 G N 1.228 110.157 108.800 0.215 0.000 3.099 397 G HA2 -0.425 3.538 3.960 0.005 0.000 0.331 397 G HA3 -0.425 3.538 3.960 0.005 0.000 0.331 397 G C 0.458 175.395 174.900 0.061 0.000 1.216 397 G CA 0.662 45.853 45.100 0.151 0.000 0.977 397 G HN 0.458 nan 8.290 nan 0.000 0.600 398 D N 1.160 121.528 120.400 -0.053 0.000 2.865 398 D HA -0.198 4.445 4.640 0.005 0.000 0.271 398 D C 2.191 178.493 176.300 0.002 0.000 1.158 398 D CA 2.496 56.459 54.000 -0.061 0.000 1.048 398 D CB -1.192 39.529 40.800 -0.132 0.000 1.380 398 D HN 1.438 nan 8.370 nan 0.000 0.520 399 A N 1.067 123.897 122.820 0.017 0.000 2.478 399 A HA 0.446 4.769 4.320 0.005 0.000 0.239 399 A C 0.761 178.381 177.584 0.059 0.000 1.480 399 A CA 1.072 53.130 52.037 0.035 0.000 1.308 399 A CB -1.224 17.797 19.000 0.035 0.000 0.899 399 A HN 0.886 nan 8.150 nan 0.000 0.600 415 D N -0.131 120.290 120.400 0.034 0.000 2.262 415 D HA 0.270 4.912 4.640 0.005 0.000 0.212 415 D C 1.534 177.877 176.300 0.072 0.000 0.964 415 D CA 1.467 55.499 54.000 0.053 0.000 0.875 415 D CB -0.064 40.761 40.800 0.043 0.000 0.996 415 D HN 0.599 nan 8.370 nan 0.000 0.497 416 G N 0.878 109.714 108.800 0.060 0.000 2.615 416 G HA2 -0.146 3.817 3.960 0.005 0.000 0.213 416 G HA3 -0.146 3.817 3.960 0.005 0.000 0.213 416 G C 1.609 176.582 174.900 0.122 0.000 1.135 416 G CA 1.289 46.434 45.100 0.076 0.000 0.772 416 G HN 0.349 nan 8.290 nan 0.000 0.542 417 V N -0.455 119.529 119.914 0.118 0.000 2.719 417 V HA -0.024 4.099 4.120 0.005 0.000 0.252 417 V C 2.580 178.816 176.094 0.236 0.000 1.065 417 V CA 1.292 63.677 62.300 0.141 0.000 1.086 417 V CB -0.463 31.390 31.823 0.051 0.000 0.700 417 V HN 0.538 nan 8.190 nan 0.000 0.467 418 R N 0.740 121.373 120.500 0.222 0.000 2.316 418 R HA -0.261 4.082 4.340 0.005 0.000 0.232 418 R C 2.066 178.476 176.300 0.182 0.000 1.137 418 R CA 2.014 58.244 56.100 0.216 0.000 1.012 418 R CB -1.284 29.102 30.300 0.144 0.000 0.859 418 R HN 0.729 nan 8.270 nan 0.000 0.474 419 H N 2.447 121.581 119.070 0.108 0.000 2.357 419 H HA -0.074 4.485 4.556 0.006 0.000 0.301 419 H C 2.017 177.392 175.328 0.078 0.000 1.082 419 H CA 2.208 58.296 56.048 0.067 0.000 1.342 419 H CB -0.100 29.692 29.762 0.050 0.000 1.389 419 H HN 0.431 nan 8.280 nan 0.000 0.511 420 I N -0.369 120.174 120.570 -0.045 0.000 2.353 420 I HA -0.081 4.092 4.170 0.005 0.000 0.248 420 I C 2.244 178.455 176.117 0.157 0.000 1.119 420 I CA 1.532 62.835 61.300 0.005 0.000 1.417 420 I CB -0.434 37.721 38.000 0.259 0.000 1.078 420 I HN 0.142 nan 8.210 nan 0.000 0.421 421 R N 0.769 121.427 120.500 0.263 0.000 2.339 421 R HA -0.020 4.323 4.340 0.005 0.000 0.199 421 R C 1.136 177.442 176.300 0.010 0.000 1.018 421 R CA 1.297 57.491 56.100 0.156 0.000 1.036 421 R CB -0.797 29.537 30.300 0.056 0.000 0.899 421 R HN 0.418 nan 8.270 nan 0.000 0.473 422 D N -0.298 120.078 120.400 -0.039 0.000 2.463 422 D HA 0.056 4.699 4.640 0.005 0.000 0.237 422 D C 1.354 177.541 176.300 -0.188 0.000 1.013 422 D CA 0.137 54.086 54.000 -0.086 0.000 0.910 422 D CB 0.088 40.857 40.800 -0.052 0.000 1.080 422 D HN 0.061 nan 8.370 nan 0.000 0.498 423 R N 0.181 120.461 120.500 -0.367 0.000 2.092 423 R HA -0.026 4.317 4.340 0.005 0.000 0.231 423 R C 1.107 176.954 176.300 -0.755 0.000 1.119 423 R CA 0.867 56.576 56.100 -0.651 0.000 0.970 423 R CB -0.283 29.423 30.300 -0.991 0.000 0.864 423 R HN 0.169 nan 8.270 nan 0.000 0.440 424 F N 0.273 120.174 119.950 -0.082 0.000 2.682 424 F HA 0.248 4.778 4.527 0.005 0.000 0.308 424 F C -0.159 175.629 175.800 -0.019 0.000 1.093 424 F CA -0.584 57.400 58.000 -0.026 0.000 1.244 424 F CB -0.193 38.819 39.000 0.019 0.000 1.052 424 F HN -0.008 nan 8.300 nan 0.000 0.573 425 N N 0.058 118.783 118.700 0.043 0.000 2.648 425 N HA -0.156 4.587 4.740 0.005 0.000 0.265 425 N C -0.958 174.545 175.510 -0.011 0.000 1.100 425 N CA 0.139 53.191 53.050 0.002 0.000 0.715 425 N CB -1.695 36.794 38.487 0.004 0.000 0.881 425 N HN -0.018 nan 8.380 nan 0.000 0.548 426 V N 1.262 121.131 119.914 -0.075 0.000 2.530 426 V HA 0.270 4.393 4.120 0.005 0.000 0.282 426 V C -1.235 174.676 176.094 -0.304 0.000 1.048 426 V CA -1.136 61.017 62.300 -0.246 0.000 0.997 426 V CB 1.133 32.633 31.823 -0.538 0.000 0.987 426 V HN 0.300 nan 8.190 nan 0.000 0.477 427 P HA 0.137 nan 4.420 nan 0.000 0.241 427 P C -0.703 176.438 177.300 -0.265 0.000 1.760 427 P CA 0.446 63.428 63.100 -0.197 0.000 1.081 427 P CB 0.516 32.150 31.700 -0.111 0.000 1.975 428 V N 2.326 122.067 119.914 -0.288 0.000 2.655 428 V HA 0.279 4.402 4.120 0.005 0.000 0.301 428 V C 0.067 176.083 176.094 -0.131 0.000 1.082 428 V CA -0.545 61.608 62.300 -0.244 0.000 0.899 428 V CB 2.237 33.807 31.823 -0.423 0.000 1.014 428 V HN 0.459 nan 8.190 nan 0.000 0.429 429 S N 2.929 118.589 115.700 -0.067 0.000 2.584 429 S HA 0.111 4.584 4.470 0.005 0.000 0.270 429 S C 0.803 175.400 174.600 -0.006 0.000 1.346 429 S CA 0.530 58.712 58.200 -0.031 0.000 1.018 429 S CB 0.998 64.188 63.200 -0.016 0.000 0.899 429 S HN 0.920 nan 8.310 nan 0.000 0.542 430 D N 0.949 121.353 120.400 0.007 0.000 2.392 430 D HA 0.117 4.760 4.640 0.005 0.000 0.228 430 D C 1.332 177.650 176.300 0.030 0.000 1.003 430 D CA 0.984 55.001 54.000 0.028 0.000 0.917 430 D CB -0.303 40.512 40.800 0.025 0.000 0.890 430 D HN 0.631 nan 8.370 nan 0.000 0.532 431 A N -0.073 122.759 122.820 0.021 0.000 1.972 431 A HA 0.071 4.394 4.320 0.005 0.000 0.219 431 A C 1.239 178.841 177.584 0.029 0.000 1.467 431 A CA 0.208 52.257 52.037 0.021 0.000 0.631 431 A CB -0.565 18.442 19.000 0.012 0.000 1.143 431 A HN 0.146 nan 8.150 nan 0.000 0.502 432 D N -0.080 120.335 120.400 0.025 0.000 2.738 432 D HA 0.196 4.839 4.640 0.005 0.000 0.226 432 D C 0.599 176.940 176.300 0.068 0.000 1.070 432 D CA 0.342 54.363 54.000 0.035 0.000 1.153 432 D CB -0.348 40.466 40.800 0.024 0.000 1.141 432 D HN 0.372 nan 8.370 nan 0.000 0.459 433 I N 0.064 120.682 120.570 0.081 0.000 4.228 433 I HA -0.036 4.136 4.170 0.005 0.000 0.298 433 I C 1.400 177.566 176.117 0.081 0.000 1.206 433 I CA -0.139 61.243 61.300 0.136 0.000 1.322 433 I CB 0.360 38.459 38.000 0.166 0.000 1.411 433 I HN -0.071 nan 8.210 nan 0.000 0.454 434 E N 1.453 121.682 120.200 0.048 0.000 2.339 434 E HA -0.257 4.095 4.350 0.005 0.000 0.201 434 E C 1.339 177.939 176.600 0.000 0.000 1.015 434 E CA 1.103 57.516 56.400 0.021 0.000 0.841 434 E CB -0.221 29.489 29.700 0.016 0.000 0.754 434 E HN 0.195 nan 8.360 nan 0.000 0.508 435 K N -0.377 120.026 120.400 0.004 0.000 2.393 435 K HA 0.260 4.583 4.320 0.005 0.000 0.193 435 K C -0.213 176.345 176.600 -0.070 0.000 1.026 435 K CA -0.038 56.235 56.287 -0.024 0.000 1.064 435 K CB 0.151 32.646 32.500 -0.008 0.000 0.833 435 K HN 0.028 nan 8.250 nan 0.000 0.521 436 L N 1.340 122.530 121.223 -0.055 0.000 3.746 436 L HA -0.158 4.185 4.340 0.005 0.000 0.542 436 L C -2.283 174.465 176.870 -0.203 0.000 1.268 436 L CA -0.541 54.207 54.840 -0.153 0.000 0.818 436 L CB -1.521 40.386 42.059 -0.255 0.000 1.472 436 L HN 0.099 nan 8.230 nan 0.000 0.843 437 P HA 0.120 nan 4.420 nan 0.000 0.276 437 P C -0.544 176.848 177.300 0.154 0.000 1.235 437 P CA 0.012 63.141 63.100 0.049 0.000 0.772 437 P CB 0.589 32.369 31.700 0.133 0.000 0.871 438 Y N 2.423 122.818 120.300 0.158 0.000 2.335 438 Y HA 0.250 4.803 4.550 0.005 0.000 0.331 438 Y C 1.220 177.265 175.900 0.241 0.000 1.094 438 Y CA -0.063 58.149 58.100 0.186 0.000 1.253 438 Y CB 0.342 38.823 38.460 0.034 0.000 1.203 438 Y HN 0.219 nan 8.280 nan 0.000 0.508 439 I N 3.616 124.432 120.570 0.410 0.000 2.385 439 I HA 0.311 4.483 4.170 0.005 0.000 0.294 439 I C 0.465 176.571 176.117 -0.017 0.000 0.988 439 I CA -0.213 61.151 61.300 0.106 0.000 1.265 439 I CB 1.343 39.300 38.000 -0.072 0.000 1.388 439 I HN 0.750 nan 8.210 nan 0.000 0.480 440 T N 1.684 116.118 114.554 -0.200 0.000 2.598 440 T HA 0.627 4.980 4.350 0.005 0.000 0.254 440 T C -0.827 173.523 174.700 -0.583 0.000 0.889 440 T CA -0.619 61.267 62.100 -0.357 0.000 1.091 440 T CB 1.428 70.183 68.868 -0.188 0.000 1.437 440 T HN 0.160 nan 8.240 nan 0.000 0.542 441 F N 2.036 121.992 119.950 0.009 0.000 2.991 441 F HA 0.478 5.008 4.527 0.005 0.000 0.355 441 F C -2.575 173.248 175.800 0.039 0.000 1.262 441 F CA -2.142 55.891 58.000 0.055 0.000 1.127 441 F CB 1.523 40.590 39.000 0.112 0.000 1.447 441 F HN 0.384 nan 8.300 nan 0.000 0.584 442 P HA 0.116 nan 4.420 nan 0.000 0.275 442 P C -0.269 176.914 177.300 -0.196 0.000 1.228 442 P CA -0.276 62.813 63.100 -0.018 0.000 0.786 442 P CB 1.344 33.041 31.700 -0.005 0.000 0.927 443 E N 1.052 120.982 120.200 -0.449 0.000 2.502 443 E HA 0.158 4.511 4.350 0.005 0.000 0.261 443 E C 1.101 177.545 176.600 -0.261 0.000 0.974 443 E CA 1.069 57.057 56.400 -0.687 0.000 0.936 443 E CB -0.570 28.863 29.700 -0.445 0.000 0.926 443 E HN 0.791 nan 8.360 nan 0.000 0.459 444 G N 2.982 111.691 108.800 -0.151 0.000 2.254 444 G HA2 -0.314 3.649 3.960 0.005 0.000 0.225 444 G HA3 -0.314 3.649 3.960 0.005 0.000 0.225 444 G C 0.184 175.084 174.900 0.001 0.000 1.003 444 G CA 0.192 45.268 45.100 -0.040 0.000 0.622 444 G HN 1.024 nan 8.290 nan 0.000 0.507 445 S N 0.325 116.030 115.700 0.008 0.000 2.592 445 S HA 0.550 5.023 4.470 0.005 0.000 0.271 445 S C 1.058 175.674 174.600 0.027 0.000 1.326 445 S CA 0.726 58.946 58.200 0.032 0.000 1.024 445 S CB 2.227 65.471 63.200 0.073 0.000 0.921 445 S HN 0.536 nan 8.310 nan 0.000 0.527 446 E N 1.244 121.438 120.200 -0.009 0.000 2.097 446 E HA -0.247 4.106 4.350 0.005 0.000 0.196 446 E C 1.454 178.004 176.600 -0.083 0.000 1.000 446 E CA 1.880 58.265 56.400 -0.026 0.000 0.804 446 E CB -0.184 29.491 29.700 -0.042 0.000 0.740 446 E HN 0.839 nan 8.360 nan 0.000 0.454 447 E N -0.382 119.659 120.200 -0.264 0.000 2.072 447 E HA -0.204 4.149 4.350 0.005 0.000 0.191 447 E C 1.993 178.340 176.600 -0.422 0.000 0.985 447 E CA 1.376 57.430 56.400 -0.577 0.000 0.801 447 E CB -0.357 28.419 29.700 -1.541 0.000 0.750 447 E HN 0.371 nan 8.360 nan 0.000 0.452 448 H N 0.253 119.125 119.070 -0.329 0.000 2.353 448 H HA -0.048 4.511 4.556 0.005 0.000 0.300 448 H C 1.657 177.023 175.328 0.064 0.000 1.090 448 H CA 1.825 57.848 56.048 -0.041 0.000 1.327 448 H CB 0.074 29.895 29.762 0.098 0.000 1.383 448 H HN 0.112 nan 8.280 nan 0.000 0.508 449 T N 0.270 114.950 114.554 0.210 0.000 2.674 449 T HA -0.186 4.166 4.350 0.005 0.000 0.265 449 T C 1.746 176.496 174.700 0.083 0.000 1.039 449 T CA 1.559 63.761 62.100 0.170 0.000 1.150 449 T CB -0.658 68.293 68.868 0.138 0.000 0.864 449 T HN 0.411 nan 8.240 nan 0.000 0.427 450 Y N 1.293 121.554 120.300 -0.065 0.000 2.224 450 Y HA -0.080 4.473 4.550 0.005 0.000 0.289 450 Y C 2.105 177.936 175.900 -0.114 0.000 1.146 450 Y CA 0.878 58.927 58.100 -0.085 0.000 1.182 450 Y CB -0.394 38.009 38.460 -0.095 0.000 0.983 450 Y HN 0.116 nan 8.280 nan 0.000 0.524 451 L N -0.222 121.008 121.223 0.011 0.000 1.956 451 L HA -0.306 4.037 4.340 0.005 0.000 0.216 451 L C 2.343 179.095 176.870 -0.197 0.000 1.073 451 L CA 2.252 57.017 54.840 -0.125 0.000 0.762 451 L CB -1.200 40.694 42.059 -0.276 0.000 0.889 451 L HN 0.271 nan 8.230 nan 0.000 0.433 452 H N -0.488 118.514 119.070 -0.113 0.000 2.457 452 H HA 0.043 4.602 4.556 0.005 0.000 0.294 452 H C 2.103 177.369 175.328 -0.102 0.000 1.064 452 H CA 1.136 57.154 56.048 -0.051 0.000 1.330 452 H CB -0.245 29.457 29.762 -0.100 0.000 1.395 452 H HN 0.581 nan 8.280 nan 0.000 0.541 453 A N 1.202 123.989 122.820 -0.055 0.000 1.873 453 A HA -0.157 4.166 4.320 0.005 0.000 0.215 453 A C 2.374 179.821 177.584 -0.229 0.000 1.186 453 A CA 1.093 53.045 52.037 -0.141 0.000 0.616 453 A CB -0.170 18.714 19.000 -0.193 0.000 0.823 453 A HN 0.257 nan 8.150 nan 0.000 0.442 454 Q N -0.435 119.158 119.800 -0.345 0.000 2.084 454 Q HA -0.141 4.202 4.340 0.005 0.000 0.202 454 Q C 2.198 178.065 176.000 -0.221 0.000 0.978 454 Q CA 1.208 56.793 55.803 -0.363 0.000 0.844 454 Q CB -0.462 27.998 28.738 -0.463 0.000 0.898 454 Q HN 0.455 nan 8.270 nan 0.000 0.426 455 R N 0.695 121.102 120.500 -0.156 0.000 2.075 455 R HA -0.052 4.291 4.340 0.005 0.000 0.232 455 R C 2.145 178.303 176.300 -0.237 0.000 1.126 455 R CA 0.931 56.935 56.100 -0.160 0.000 0.963 455 R CB -0.449 29.752 30.300 -0.165 0.000 0.858 455 R HN 0.355 nan 8.270 nan 0.000 0.435 456 Q N 0.902 120.582 119.800 -0.201 0.000 2.084 456 Q HA -0.096 4.247 4.340 0.005 0.000 0.202 456 Q C 1.925 177.812 176.000 -0.188 0.000 0.978 456 Q CA 1.344 57.039 55.803 -0.180 0.000 0.844 456 Q CB -0.181 28.494 28.738 -0.105 0.000 0.898 456 Q HN 0.357 nan 8.270 nan 0.000 0.426 457 K N 0.248 120.536 120.400 -0.187 0.000 2.211 457 K HA -0.061 4.261 4.320 0.005 0.000 0.204 457 K C 1.219 177.688 176.600 -0.219 0.000 1.047 457 K CA 0.660 56.828 56.287 -0.198 0.000 0.935 457 K CB 0.011 32.396 32.500 -0.191 0.000 0.728 457 K HN 0.132 nan 8.250 nan 0.000 0.452 458 L N 0.528 121.645 121.223 -0.176 0.000 2.978 458 L HA 0.181 4.524 4.340 0.005 0.000 0.239 458 L C -0.497 176.356 176.870 -0.029 0.000 1.293 458 L CA -0.098 54.682 54.840 -0.100 0.000 1.085 458 L CB -0.556 41.489 42.059 -0.023 0.000 1.432 458 L HN 0.350 nan 8.230 nan 0.000 0.512 459 H N -0.790 118.238 119.070 -0.070 0.000 3.366 459 H HA -0.207 4.352 4.556 0.005 0.000 0.233 459 H C 1.018 176.273 175.328 -0.122 0.000 1.102 459 H CA 0.831 56.837 56.048 -0.070 0.000 1.184 459 H CB -0.718 29.031 29.762 -0.022 0.000 1.216 459 H HN 0.719 nan 8.280 nan 0.000 0.317 460 G N -1.867 106.837 108.800 -0.160 0.000 2.225 460 G HA2 0.075 4.038 3.960 0.005 0.000 0.203 460 G HA3 0.075 4.038 3.960 0.005 0.000 0.203 460 G C -1.649 172.877 174.900 -0.624 0.000 1.335 460 G CA -0.478 44.379 45.100 -0.404 0.000 1.183 460 G HN 0.176 nan 8.290 nan 0.000 0.488 461 Y N 0.463 120.827 120.300 0.106 0.000 2.485 461 Y HA 0.804 5.357 4.550 0.005 0.000 0.345 461 Y C 0.575 176.522 175.900 0.078 0.000 0.998 461 Y CA -0.713 57.450 58.100 0.105 0.000 1.059 461 Y CB 2.149 40.650 38.460 0.069 0.000 1.234 461 Y HN 0.827 nan 8.280 nan 0.000 0.461 462 L N 1.066 122.449 121.223 0.265 0.000 2.469 462 L HA 0.832 5.175 4.340 0.005 0.000 0.256 462 L C -3.126 173.787 176.870 0.072 0.000 1.006 462 L CA -2.388 52.527 54.840 0.124 0.000 0.832 462 L CB 2.687 44.845 42.059 0.165 0.000 1.421 462 L HN 0.274 nan 8.230 nan 0.000 0.410 463 P HA 0.223 nan 4.420 nan 0.000 0.272 463 P C -0.878 176.092 177.300 -0.549 0.000 1.230 463 P CA -0.070 62.783 63.100 -0.412 0.000 0.788 463 P CB 1.631 32.960 31.700 -0.619 0.000 0.949 464 S N 0.364 115.888 115.700 -0.293 0.000 2.535 464 S HA 0.549 5.022 4.470 0.005 0.000 0.272 464 S C -1.349 173.178 174.600 -0.122 0.000 1.149 464 S CA -0.831 57.262 58.200 -0.179 0.000 0.888 464 S CB 1.429 64.598 63.200 -0.052 0.000 1.110 464 S HN 0.639 nan 8.310 nan 0.000 0.463 465 R N 2.298 122.754 120.500 -0.073 0.000 2.628 465 R HA 0.474 4.817 4.340 0.005 0.000 0.288 465 R C -1.373 174.910 176.300 -0.028 0.000 0.980 465 R CA -0.554 55.504 56.100 -0.070 0.000 0.891 465 R CB 1.725 31.985 30.300 -0.067 0.000 1.188 465 R HN 0.731 nan 8.270 nan 0.000 0.450 466 Q N 5.840 125.618 119.800 -0.038 0.000 2.398 466 Q HA 0.288 4.630 4.340 0.005 0.000 0.251 466 Q C -2.076 173.930 176.000 0.011 0.000 0.999 466 Q CA -2.096 53.705 55.803 -0.004 0.000 0.874 466 Q CB 1.748 30.489 28.738 0.005 0.000 1.215 466 Q HN 0.451 nan 8.270 nan 0.000 0.470 467 P HA -0.114 nan 4.420 nan 0.000 0.215 467 P C -0.485 176.910 177.300 0.158 0.000 1.157 467 P CA 1.251 64.395 63.100 0.075 0.000 0.868 467 P CB 0.360 32.087 31.700 0.045 0.000 0.788 468 N N -1.208 117.553 118.700 0.102 0.000 2.402 468 N HA 0.317 5.060 4.740 0.005 0.000 0.294 468 N C -0.513 175.087 175.510 0.149 0.000 1.203 468 N CA -0.645 52.454 53.050 0.081 0.000 0.838 468 N CB 1.052 39.460 38.487 -0.133 0.000 1.306 468 N HN -0.074 nan 8.380 nan 0.000 0.510 469 F N -1.419 118.645 119.950 0.190 0.000 2.379 469 F HA 0.435 4.965 4.527 0.005 0.000 0.332 469 F C 1.812 177.670 175.800 0.097 0.000 1.096 469 F CA -0.804 57.295 58.000 0.165 0.000 1.105 469 F CB 0.200 39.339 39.000 0.233 0.000 1.189 469 F HN 0.484 nan 8.300 nan 0.000 0.515 470 T N -1.411 113.290 114.554 0.244 0.000 2.809 470 T HA -0.038 4.315 4.350 0.005 0.000 0.260 470 T C 0.534 175.327 174.700 0.155 0.000 1.039 470 T CA 0.696 62.873 62.100 0.127 0.000 1.141 470 T CB -0.762 68.172 68.868 0.110 0.000 0.869 470 T HN 0.820 nan 8.240 nan 0.000 0.437 471 E N 1.668 122.034 120.200 0.277 0.000 2.409 471 E HA 0.164 4.516 4.350 0.005 0.000 0.257 471 E C -0.224 176.540 176.600 0.273 0.000 1.150 471 E CA -0.751 55.791 56.400 0.235 0.000 0.942 471 E CB 0.599 30.425 29.700 0.210 0.000 0.979 471 E HN 0.372 nan 8.360 nan 0.000 0.447 472 K N 2.715 123.224 120.400 0.181 0.000 2.185 472 K HA 0.289 4.612 4.320 0.005 0.000 0.269 472 K C -0.952 175.755 176.600 0.178 0.000 0.987 472 K CA -0.602 55.786 56.287 0.169 0.000 0.865 472 K CB 0.792 33.350 32.500 0.097 0.000 1.090 472 K HN 0.546 nan 8.250 nan 0.000 0.450 473 L N 2.925 124.276 121.223 0.214 0.000 2.334 473 L HA 0.292 4.635 4.340 0.005 0.000 0.275 473 L C 0.319 177.263 176.870 0.124 0.000 1.036 473 L CA -0.731 54.207 54.840 0.164 0.000 0.807 473 L CB 1.549 43.722 42.059 0.190 0.000 1.231 473 L HN 0.589 nan 8.230 nan 0.000 0.438 474 E N 3.023 123.280 120.200 0.094 0.000 2.360 474 E HA 0.220 4.573 4.350 0.005 0.000 0.253 474 E C -0.510 176.141 176.600 0.084 0.000 1.189 474 E CA -0.659 55.788 56.400 0.079 0.000 1.252 474 E CB 0.273 30.008 29.700 0.057 0.000 1.408 474 E HN 0.249 nan 8.360 nan 0.000 0.464 475 L N 2.844 124.131 121.223 0.107 0.000 2.516 475 L HA 0.034 4.377 4.340 0.005 0.000 0.288 475 L C -1.627 175.323 176.870 0.134 0.000 1.246 475 L CA -1.041 53.875 54.840 0.126 0.000 0.844 475 L CB -0.705 41.433 42.059 0.131 0.000 1.106 475 L HN 0.135 nan 8.230 nan 0.000 0.509 476 P HA 0.160 nan 4.420 nan 0.000 0.274 476 P C -0.708 176.765 177.300 0.288 0.000 1.231 476 P CA -0.502 62.675 63.100 0.128 0.000 0.790 476 P CB 0.906 32.613 31.700 0.012 0.000 0.951 477 S N 1.636 117.452 115.700 0.193 0.000 2.652 477 S HA 0.130 4.603 4.470 0.005 0.000 0.270 477 S C 1.249 175.932 174.600 0.139 0.000 1.243 477 S CA -0.680 57.647 58.200 0.212 0.000 0.999 477 S CB 0.407 63.660 63.200 0.088 0.000 0.973 477 S HN 0.357 nan 8.310 nan 0.000 0.544 478 L N 1.149 122.231 121.223 -0.236 0.000 2.046 478 L HA -0.070 4.273 4.340 0.005 0.000 0.208 478 L C 2.490 179.388 176.870 0.048 0.000 1.077 478 L CA 1.920 56.621 54.840 -0.233 0.000 0.747 478 L CB -1.305 40.454 42.059 -0.500 0.000 0.896 478 L HN 0.808 nan 8.230 nan 0.000 0.432 479 Q N -0.179 119.609 119.800 -0.020 0.000 2.217 479 Q HA -0.257 4.086 4.340 0.005 0.000 0.209 479 Q C 1.835 177.825 176.000 -0.016 0.000 0.988 479 Q CA 1.957 57.753 55.803 -0.011 0.000 0.878 479 Q CB -0.534 28.192 28.738 -0.021 0.000 0.909 479 Q HN 0.530 nan 8.270 nan 0.000 0.424 480 D N -0.719 119.651 120.400 -0.050 0.000 2.221 480 D HA -0.137 4.506 4.640 0.005 0.000 0.204 480 D C 0.437 176.558 176.300 -0.297 0.000 0.982 480 D CA 0.934 54.812 54.000 -0.203 0.000 0.857 480 D CB -0.093 40.515 40.800 -0.320 0.000 0.934 480 D HN 0.309 nan 8.370 nan 0.000 0.475 481 F N -0.278 119.648 119.950 -0.040 0.000 2.645 481 F HA 0.299 4.829 4.527 0.005 0.000 0.300 481 F C 2.233 178.011 175.800 -0.037 0.000 1.115 481 F CA -0.365 57.613 58.000 -0.036 0.000 1.355 481 F CB -0.141 38.843 39.000 -0.027 0.000 1.026 481 F HN -0.114 nan 8.300 nan 0.000 0.536 482 G N 0.573 109.420 108.800 0.079 0.000 2.517 482 G HA2 -0.305 3.658 3.960 0.005 0.000 0.222 482 G HA3 -0.305 3.658 3.960 0.005 0.000 0.222 482 G C 1.889 176.807 174.900 0.031 0.000 1.109 482 G CA 1.053 46.176 45.100 0.037 0.000 0.746 482 G HN 0.458 nan 8.290 nan 0.000 0.576 483 A N 0.325 123.162 122.820 0.028 0.000 1.898 483 A HA 0.172 4.495 4.320 0.005 0.000 0.216 483 A C 2.251 179.861 177.584 0.043 0.000 1.181 483 A CA 1.163 53.212 52.037 0.020 0.000 0.620 483 A CB -0.284 18.717 19.000 0.002 0.000 0.819 483 A HN 0.320 nan 8.150 nan 0.000 0.442 484 L N -0.337 120.936 121.223 0.082 0.000 2.465 484 L HA -0.015 4.327 4.340 0.005 0.000 0.224 484 L C 1.911 178.850 176.870 0.114 0.000 1.145 484 L CA 0.678 55.576 54.840 0.097 0.000 0.834 484 L CB -0.247 41.890 42.059 0.130 0.000 0.944 484 L HN 0.340 nan 8.230 nan 0.000 0.451 485 L N -1.510 119.765 121.223 0.086 0.000 2.477 485 L HA 0.087 4.430 4.340 0.005 0.000 0.220 485 L C 0.845 177.720 176.870 0.008 0.000 1.106 485 L CA 0.006 54.879 54.840 0.055 0.000 0.851 485 L CB -0.145 41.915 42.059 0.002 0.000 0.994 485 L HN 0.221 nan 8.230 nan 0.000 0.462 486 E N 0.661 120.869 120.200 0.014 0.000 2.342 486 E HA 0.088 4.441 4.350 0.005 0.000 0.257 486 E C -0.011 176.592 176.600 0.005 0.000 1.150 486 E CA -0.448 55.949 56.400 -0.005 0.000 0.926 486 E CB 0.736 30.433 29.700 -0.004 0.000 1.074 486 E HN 0.068 nan 8.360 nan 0.000 0.449 487 E N 0.851 121.044 120.200 -0.011 0.000 2.418 487 E HA -0.099 4.254 4.350 0.005 0.000 0.261 487 E C -0.736 175.842 176.600 -0.037 0.000 1.070 487 E CA -0.111 56.269 56.400 -0.034 0.000 0.931 487 E CB 0.653 30.353 29.700 0.000 0.000 0.954 487 E HN 0.168 nan 8.360 nan 0.000 0.439 488 Q N 1.518 121.265 119.800 -0.089 0.000 2.271 488 Q HA 0.207 4.550 4.340 0.005 0.000 0.258 488 Q C 0.159 176.143 176.000 -0.026 0.000 0.936 488 Q CA -0.054 55.718 55.803 -0.051 0.000 0.909 488 Q CB 1.766 30.471 28.738 -0.055 0.000 1.253 488 Q HN 0.636 nan 8.270 nan 0.000 0.440 489 S N 2.765 118.468 115.700 0.004 0.000 2.444 489 S HA -0.211 4.262 4.470 0.005 0.000 0.225 489 S C 0.249 174.876 174.600 0.045 0.000 1.042 489 S CA 1.833 60.050 58.200 0.028 0.000 1.132 489 S CB -0.472 62.739 63.200 0.018 0.000 1.099 489 S HN 0.654 nan 8.310 nan 0.000 0.417 490 K N 2.268 122.685 120.400 0.029 0.000 2.117 490 K HA 0.399 4.722 4.320 0.005 0.000 0.240 490 K C -0.324 176.297 176.600 0.036 0.000 1.031 490 K CA -0.264 56.045 56.287 0.037 0.000 0.909 490 K CB 0.109 32.621 32.500 0.020 0.000 1.097 490 K HN 0.229 nan 8.250 nan 0.000 0.492 491 E N 0.688 120.917 120.200 0.049 0.000 2.229 491 E HA 0.289 4.642 4.350 0.005 0.000 0.283 491 E C -0.000 176.590 176.600 -0.017 0.000 1.030 491 E CA -0.421 56.007 56.400 0.045 0.000 0.836 491 E CB 0.429 30.183 29.700 0.091 0.000 1.068 491 E HN 0.604 nan 8.360 nan 0.000 0.401 492 I N -1.284 119.244 120.570 -0.069 0.000 3.457 492 I HA 0.572 4.745 4.170 0.005 0.000 0.307 492 I C 0.004 175.989 176.117 -0.220 0.000 1.138 492 I CA -1.021 60.218 61.300 -0.103 0.000 0.974 492 I CB 1.917 39.877 38.000 -0.066 0.000 1.324 492 I HN 0.398 nan 8.210 nan 0.000 0.485 493 S N -0.672 114.922 115.700 -0.177 0.000 2.767 493 S HA 0.399 4.872 4.470 0.005 0.000 0.300 493 S C 0.836 175.354 174.600 -0.136 0.000 1.123 493 S CA 0.165 58.228 58.200 -0.228 0.000 0.992 493 S CB 1.205 64.327 63.200 -0.130 0.000 1.138 493 S HN 0.849 nan 8.310 nan 0.000 0.550 494 T N -2.475 112.016 114.554 -0.106 0.000 3.023 494 T HA 0.012 4.365 4.350 0.005 0.000 0.266 494 T C 1.567 176.292 174.700 0.042 0.000 1.093 494 T CA 1.276 63.362 62.100 -0.022 0.000 1.129 494 T CB -1.004 67.858 68.868 -0.010 0.000 0.899 494 T HN 0.580 nan 8.240 nan 0.000 0.491 495 T N 2.264 116.837 114.554 0.031 0.000 2.770 495 T HA 0.197 4.550 4.350 0.005 0.000 0.263 495 T C 1.893 176.694 174.700 0.168 0.000 1.039 495 T CA 0.931 63.099 62.100 0.114 0.000 1.142 495 T CB -0.367 68.549 68.868 0.081 0.000 0.868 495 T HN 0.355 nan 8.240 nan 0.000 0.435 496 I N 1.507 122.114 120.570 0.062 0.000 2.264 496 I HA -0.201 3.972 4.170 0.005 0.000 0.248 496 I C 2.905 179.025 176.117 0.006 0.000 1.111 496 I CA 1.087 62.401 61.300 0.025 0.000 1.382 496 I CB -0.493 37.498 38.000 -0.015 0.000 1.060 496 I HN 0.195 nan 8.210 nan 0.000 0.418 497 A N 1.042 123.872 122.820 0.017 0.000 1.877 497 A HA -0.269 4.054 4.320 0.005 0.000 0.216 497 A C 2.242 179.825 177.584 -0.001 0.000 1.186 497 A CA 1.646 53.689 52.037 0.009 0.000 0.620 497 A CB -1.013 17.999 19.000 0.021 0.000 0.822 497 A HN 0.491 nan 8.150 nan 0.000 0.443 498 F N 0.987 120.899 119.950 -0.062 0.000 2.069 498 F HA -0.183 4.347 4.527 0.005 0.000 0.298 498 F C 2.109 177.850 175.800 -0.099 0.000 1.113 498 F CA 2.176 60.124 58.000 -0.086 0.000 1.214 498 F CB -0.680 38.269 39.000 -0.085 0.000 0.978 498 F HN 0.009 nan 8.300 nan 0.000 0.474 499 V N 1.147 120.750 119.914 -0.518 0.000 2.392 499 V HA -0.300 3.823 4.120 0.005 0.000 0.249 499 V C 2.573 178.440 176.094 -0.379 0.000 1.059 499 V CA 2.319 64.295 62.300 -0.541 0.000 1.051 499 V CB -0.745 30.985 31.823 -0.155 0.000 0.658 499 V HN 0.339 nan 8.190 nan 0.000 0.455 500 R N -0.227 120.137 120.500 -0.227 0.000 2.092 500 R HA -0.062 4.281 4.340 0.005 0.000 0.231 500 R C 2.442 178.670 176.300 -0.120 0.000 1.119 500 R CA 1.336 57.354 56.100 -0.136 0.000 0.970 500 R CB -0.520 29.743 30.300 -0.062 0.000 0.864 500 R HN 0.541 nan 8.270 nan 0.000 0.440 501 A N 1.796 124.534 122.820 -0.137 0.000 1.858 501 A HA -0.155 4.168 4.320 0.005 0.000 0.216 501 A C 2.162 179.688 177.584 -0.096 0.000 1.190 501 A CA 1.381 53.432 52.037 0.024 0.000 0.617 501 A CB -0.740 18.189 19.000 -0.118 0.000 0.827 501 A HN 0.430 nan 8.150 nan 0.000 0.443 502 L N -0.900 120.042 121.223 -0.469 0.000 2.187 502 L HA -0.189 4.154 4.340 0.005 0.000 0.213 502 L C 1.914 178.605 176.870 -0.300 0.000 1.100 502 L CA 2.435 56.941 54.840 -0.557 0.000 0.765 502 L CB -0.479 41.072 42.059 -0.846 0.000 0.904 502 L HN 0.375 nan 8.230 nan 0.000 0.437 503 N N 0.113 118.675 118.700 -0.230 0.000 2.250 503 N HA -0.115 4.628 4.740 0.005 0.000 0.181 503 N C 1.723 177.147 175.510 -0.143 0.000 1.017 503 N CA 1.520 54.478 53.050 -0.154 0.000 0.866 503 N CB -0.179 38.232 38.487 -0.126 0.000 0.985 503 N HN 0.284 nan 8.380 nan 0.000 0.429 504 V N 1.180 121.000 119.914 -0.156 0.000 2.343 504 V HA -0.216 3.907 4.120 0.005 0.000 0.247 504 V C 2.276 178.209 176.094 -0.267 0.000 1.051 504 V CA 1.492 63.628 62.300 -0.273 0.000 1.036 504 V CB -0.473 31.032 31.823 -0.531 0.000 0.654 504 V HN 0.329 nan 8.190 nan 0.000 0.451 505 M N -0.759 118.744 119.600 -0.161 0.000 2.213 505 M HA -0.122 4.360 4.480 0.005 0.000 0.263 505 M C 1.955 178.210 176.300 -0.074 0.000 1.062 505 M CA 1.720 56.973 55.300 -0.078 0.000 1.105 505 M CB -0.421 32.168 32.600 -0.019 0.000 1.385 505 M HN 0.247 nan 8.290 nan 0.000 0.417 506 L N -0.187 120.980 121.223 -0.093 0.000 2.622 506 L HA -0.107 4.236 4.340 0.005 0.000 0.233 506 L C 1.912 178.748 176.870 -0.057 0.000 1.156 506 L CA 0.770 55.573 54.840 -0.061 0.000 0.866 506 L CB -0.283 41.740 42.059 -0.061 0.000 0.980 506 L HN 0.238 nan 8.230 nan 0.000 0.448 507 K N -0.863 119.488 120.400 -0.083 0.000 2.361 507 K HA 0.053 4.376 4.320 0.005 0.000 0.194 507 K C 0.712 177.274 176.600 -0.065 0.000 1.032 507 K CA -0.197 56.045 56.287 -0.076 0.000 1.048 507 K CB 0.225 32.663 32.500 -0.103 0.000 0.842 507 K HN 0.161 nan 8.250 nan 0.000 0.526 508 N N 2.449 121.112 118.700 -0.062 0.000 2.475 508 N HA -0.050 4.693 4.740 0.005 0.000 0.267 508 N C 0.919 176.420 175.510 -0.016 0.000 1.169 508 N CA 0.134 53.161 53.050 -0.038 0.000 0.947 508 N CB 0.930 39.403 38.487 -0.023 0.000 1.061 508 N HN 0.037 nan 8.380 nan 0.000 0.466 509 K N 2.397 122.790 120.400 -0.011 0.000 2.032 509 K HA -0.148 4.175 4.320 0.005 0.000 0.209 509 K C 1.585 178.188 176.600 0.006 0.000 1.048 509 K CA 1.415 57.701 56.287 -0.003 0.000 0.927 509 K CB -0.931 31.569 32.500 -0.001 0.000 0.712 509 K HN 0.448 nan 8.250 nan 0.000 0.441 510 S N 1.540 117.249 115.700 0.015 0.000 2.345 510 S HA -0.062 4.411 4.470 0.005 0.000 0.220 510 S C 2.107 176.719 174.600 0.020 0.000 1.031 510 S CA 1.199 59.413 58.200 0.024 0.000 0.996 510 S CB -0.300 62.923 63.200 0.040 0.000 0.882 510 S HN 0.526 nan 8.310 nan 0.000 0.445 511 I N -0.309 120.275 120.570 0.023 0.000 3.860 511 I HA 0.224 4.397 4.170 0.005 0.000 0.319 511 I C 1.853 177.984 176.117 0.024 0.000 1.279 511 I CA 0.178 61.490 61.300 0.021 0.000 1.220 511 I CB -0.295 37.728 38.000 0.040 0.000 1.027 511 I HN 0.239 nan 8.210 nan 0.000 0.428 512 K N 1.386 121.795 120.400 0.015 0.000 2.015 512 K HA -0.225 4.097 4.320 0.005 0.000 0.216 512 K C 1.060 177.678 176.600 0.030 0.000 1.052 512 K CA 2.310 58.605 56.287 0.014 0.000 0.937 512 K CB -0.728 31.773 32.500 0.000 0.000 0.719 512 K HN 0.285 nan 8.250 nan 0.000 0.446 513 D N -0.029 120.384 120.400 0.022 0.000 2.363 513 D HA -0.002 4.641 4.640 0.005 0.000 0.226 513 D C 1.407 177.730 176.300 0.037 0.000 1.020 513 D CA 0.305 54.320 54.000 0.025 0.000 0.892 513 D CB 0.246 41.046 40.800 -0.000 0.000 0.900 513 D HN 0.218 nan 8.370 nan 0.000 0.531 514 R N -0.014 120.509 120.500 0.038 0.000 2.290 514 R HA 0.196 4.539 4.340 0.005 0.000 0.197 514 R C 0.753 177.099 176.300 0.078 0.000 0.913 514 R CA -0.059 56.061 56.100 0.033 0.000 1.040 514 R CB 0.096 30.376 30.300 -0.032 0.000 0.992 514 R HN 0.205 nan 8.270 nan 0.000 0.500 515 L N 1.057 122.353 121.223 0.121 0.000 2.397 515 L HA 0.246 4.589 4.340 0.005 0.000 0.271 515 L C 0.166 177.189 176.870 0.255 0.000 1.148 515 L CA -0.447 54.520 54.840 0.211 0.000 0.825 515 L CB 0.909 43.086 42.059 0.197 0.000 1.117 515 L HN -0.328 nan 8.230 nan 0.000 0.456 516 V N 2.804 122.904 119.914 0.311 0.000 2.320 516 V HA 0.265 4.388 4.120 0.005 0.000 0.268 516 V C -2.335 173.963 176.094 0.339 0.000 1.021 516 V CA -1.494 60.982 62.300 0.294 0.000 0.813 516 V CB 0.955 32.924 31.823 0.242 0.000 1.054 516 V HN 0.602 nan 8.190 nan 0.000 0.444 517 P HA 0.381 nan 4.420 nan 0.000 0.271 517 P C -0.539 176.962 177.300 0.335 0.000 1.226 517 P CA 0.255 63.573 63.100 0.362 0.000 0.765 517 P CB 0.657 32.529 31.700 0.286 0.000 0.835 518 I N 4.904 125.714 120.570 0.399 0.000 2.478 518 I HA 0.448 4.621 4.170 0.005 0.000 0.287 518 I C 0.162 176.571 176.117 0.487 0.000 1.042 518 I CA -0.894 60.617 61.300 0.351 0.000 1.067 518 I CB 1.429 39.584 38.000 0.257 0.000 1.233 518 I HN 0.225 nan 8.210 nan 0.000 0.431 519 I N 2.146 122.966 120.570 0.416 0.000 2.740 519 I HA 0.814 4.986 4.170 0.005 0.000 0.303 519 I C 0.160 176.540 176.117 0.438 0.000 1.044 519 I CA -0.805 60.779 61.300 0.472 0.000 1.064 519 I CB 2.292 40.565 38.000 0.455 0.000 1.249 519 I HN 0.548 nan 8.210 nan 0.000 0.433 520 A N 2.973 126.102 122.820 0.515 0.000 3.260 520 A HA 0.408 4.731 4.320 0.005 0.000 0.268 520 A C 0.503 178.309 177.584 0.371 0.000 1.491 520 A CA 0.502 52.788 52.037 0.414 0.000 1.181 520 A CB -1.077 18.207 19.000 0.473 0.000 1.137 520 A HN 1.095 nan 8.150 nan 0.000 0.642 521 D N -0.522 120.076 120.400 0.329 0.000 3.000 521 D HA -0.230 4.412 4.640 0.005 0.000 0.201 521 D C 0.372 176.854 176.300 0.303 0.000 1.381 521 D CA 2.064 56.233 54.000 0.283 0.000 2.051 521 D CB -1.300 39.629 40.800 0.216 0.000 1.331 521 D HN 0.437 nan 8.370 nan 0.000 0.502 522 E N 0.330 120.738 120.200 0.347 0.000 2.975 522 E HA 0.460 4.812 4.350 0.005 0.000 0.301 522 E C 1.140 177.810 176.600 0.118 0.000 1.554 522 E CA 0.621 57.122 56.400 0.169 0.000 1.716 522 E CB -0.372 29.338 29.700 0.018 0.000 1.365 522 E HN 0.466 nan 8.360 nan 0.000 0.469 523 A N 0.608 123.576 122.820 0.247 0.000 2.172 523 A HA -0.164 4.159 4.320 0.005 0.000 0.216 523 A C 2.042 179.619 177.584 -0.011 0.000 1.154 523 A CA 1.075 53.239 52.037 0.211 0.000 0.701 523 A CB -0.078 19.094 19.000 0.287 0.000 0.789 523 A HN 0.214 nan 8.150 nan 0.000 0.465 524 R N -0.344 120.128 120.500 -0.047 0.000 2.055 524 R HA -0.026 4.317 4.340 0.005 0.000 0.226 524 R C 1.798 177.984 176.300 -0.191 0.000 1.135 524 R CA 2.277 58.316 56.100 -0.101 0.000 0.959 524 R CB -1.103 29.166 30.300 -0.051 0.000 0.854 524 R HN 0.303 nan 8.270 nan 0.000 0.431 525 T N 0.221 114.542 114.554 -0.388 0.000 3.098 525 T HA 0.001 4.354 4.350 0.005 0.000 0.266 525 T C -0.104 174.165 174.700 -0.718 0.000 1.145 525 T CA 0.871 62.584 62.100 -0.645 0.000 1.092 525 T CB -0.132 68.150 68.868 -0.978 0.000 0.908 525 T HN 0.133 nan 8.240 nan 0.000 0.526 526 F N -0.190 119.718 119.950 -0.071 0.000 2.724 526 F HA 0.450 4.980 4.527 0.005 0.000 0.310 526 F C 1.468 177.256 175.800 -0.020 0.000 1.107 526 F CA -1.412 56.556 58.000 -0.054 0.000 1.218 526 F CB -0.273 38.704 39.000 -0.038 0.000 1.042 526 F HN 0.076 nan 8.300 nan 0.000 0.540 527 G N 1.288 110.119 108.800 0.052 0.000 2.366 527 G HA2 -0.297 3.666 3.960 0.005 0.000 0.299 527 G HA3 -0.297 3.666 3.960 0.005 0.000 0.299 527 G C 0.865 175.752 174.900 -0.022 0.000 1.020 527 G CA 0.515 45.611 45.100 -0.005 0.000 1.026 527 G HN 0.197 nan 8.290 nan 0.000 0.512 528 M N -0.096 119.468 119.600 -0.061 0.000 2.465 528 M HA 0.070 4.553 4.480 0.005 0.000 0.249 528 M C 2.372 178.408 176.300 -0.441 0.000 1.130 528 M CA 1.081 56.316 55.300 -0.109 0.000 1.067 528 M CB -0.223 32.413 32.600 0.061 0.000 1.394 528 M HN 0.603 nan 8.290 nan 0.000 0.483 529 E N 0.660 120.498 120.200 -0.604 0.000 2.070 529 E HA -0.170 4.183 4.350 0.005 0.000 0.197 529 E C 1.791 178.179 176.600 -0.353 0.000 1.004 529 E CA 2.096 58.019 56.400 -0.795 0.000 0.805 529 E CB -1.400 28.047 29.700 -0.423 0.000 0.744 529 E HN 0.422 nan 8.360 nan 0.000 0.451 530 G N 0.957 109.644 108.800 -0.188 0.000 2.537 530 G HA2 -0.147 3.816 3.960 0.005 0.000 0.220 530 G HA3 -0.147 3.816 3.960 0.005 0.000 0.220 530 G C 1.612 176.491 174.900 -0.035 0.000 1.111 530 G CA 0.754 45.805 45.100 -0.081 0.000 0.748 530 G HN 0.284 nan 8.290 nan 0.000 0.564 531 L N -0.986 120.216 121.223 -0.035 0.000 2.556 531 L HA 0.265 4.607 4.340 0.005 0.000 0.226 531 L C 2.117 179.134 176.870 0.244 0.000 1.089 531 L CA -0.316 54.569 54.840 0.075 0.000 0.864 531 L CB -0.100 42.004 42.059 0.075 0.000 1.067 531 L HN 0.025 nan 8.230 nan 0.000 0.477 532 F N 1.085 121.065 119.950 0.050 0.000 2.102 532 F HA -0.150 4.380 4.527 0.005 0.000 0.298 532 F C 2.606 178.431 175.800 0.041 0.000 1.105 532 F CA 1.208 59.242 58.000 0.056 0.000 1.239 532 F CB -0.799 38.234 39.000 0.055 0.000 0.991 532 F HN 0.020 nan 8.300 nan 0.000 0.474 533 R N -0.238 120.405 120.500 0.238 0.000 2.237 533 R HA -0.144 4.199 4.340 0.005 0.000 0.219 533 R C 2.134 178.489 176.300 0.091 0.000 1.080 533 R CA 0.785 56.964 56.100 0.131 0.000 0.995 533 R CB -0.196 30.158 30.300 0.090 0.000 0.875 533 R HN 0.434 nan 8.270 nan 0.000 0.462 534 Q N 0.564 120.421 119.800 0.095 0.000 2.200 534 Q HA -0.017 4.326 4.340 0.005 0.000 0.197 534 Q C 1.819 177.858 176.000 0.065 0.000 0.953 534 Q CA 0.912 56.752 55.803 0.062 0.000 0.851 534 Q CB 0.411 29.175 28.738 0.043 0.000 0.938 534 Q HN 0.431 nan 8.270 nan 0.000 0.488 535 I N -3.657 116.969 120.570 0.094 0.000 4.139 535 I HA 0.462 4.635 4.170 0.005 0.000 0.335 535 I C 0.725 176.901 176.117 0.099 0.000 1.327 535 I CA 0.247 61.601 61.300 0.090 0.000 1.112 535 I CB 0.752 38.810 38.000 0.098 0.000 1.058 535 I HN 0.157 nan 8.210 nan 0.000 0.396 536 G N 2.706 111.569 108.800 0.105 0.000 2.814 536 G HA2 -0.164 3.799 3.960 0.005 0.000 0.677 536 G HA3 -0.164 3.799 3.960 0.005 0.000 0.677 536 G C -0.993 173.921 174.900 0.024 0.000 1.429 536 G CA -0.223 44.911 45.100 0.056 0.000 0.868 536 G HN 0.287 nan 8.290 nan 0.000 0.553 537 I N 1.237 121.765 120.570 -0.071 0.000 2.339 537 I HA 0.525 4.698 4.170 0.005 0.000 0.290 537 I C 0.056 176.177 176.117 0.007 0.000 0.994 537 I CA -1.176 60.063 61.300 -0.103 0.000 1.191 537 I CB 0.934 38.731 38.000 -0.339 0.000 1.343 537 I HN 0.660 nan 8.210 nan 0.000 0.458 538 Y N 7.031 127.347 120.300 0.026 0.000 2.729 538 Y HA 0.122 4.675 4.550 0.005 0.000 0.331 538 Y C 0.084 175.988 175.900 0.008 0.000 1.208 538 Y CA 0.633 58.779 58.100 0.076 0.000 1.521 538 Y CB 0.418 39.020 38.460 0.237 0.000 1.233 538 Y HN 0.584 nan 8.280 nan 0.000 0.539 539 S N 8.834 124.134 115.700 -0.666 0.000 2.479 539 S HA 0.264 4.737 4.470 0.005 0.000 0.169 539 S C -2.668 171.584 174.600 -0.579 0.000 1.181 539 S CA -1.113 56.769 58.200 -0.530 0.000 1.169 539 S CB 0.246 63.284 63.200 -0.269 0.000 1.384 539 S HN 0.629 nan 8.310 nan 0.000 0.412 559 D N -0.607 119.725 120.400 -0.113 0.000 2.723 559 D HA 0.037 4.680 4.640 0.005 0.000 0.247 559 D C 1.067 177.241 176.300 -0.210 0.000 1.134 559 D CA -0.446 53.461 54.000 -0.154 0.000 1.099 559 D CB -0.145 40.590 40.800 -0.108 0.000 1.287 559 D HN 0.042 nan 8.370 nan 0.000 0.634 560 E N -0.212 119.843 120.200 -0.242 0.000 2.516 560 E HA -0.112 4.241 4.350 0.005 0.000 0.199 560 E C 0.206 176.804 176.600 -0.003 0.000 1.069 560 E CA 0.551 56.781 56.400 -0.282 0.000 0.876 560 E CB -0.087 29.335 29.700 -0.463 0.000 0.843 560 E HN 0.294 nan 8.360 nan 0.000 0.530 561 K N 0.796 121.197 120.400 0.002 0.000 2.358 561 K HA 0.195 4.518 4.320 0.005 0.000 0.200 561 K C 0.828 177.473 176.600 0.074 0.000 1.030 561 K CA 0.393 56.697 56.287 0.029 0.000 1.097 561 K CB 0.774 33.272 32.500 -0.003 0.000 0.862 561 K HN 0.100 nan 8.250 nan 0.000 0.534 562 G N 1.806 110.681 108.800 0.124 0.000 2.340 562 G HA2 -0.077 3.886 3.960 0.005 0.000 0.245 562 G HA3 -0.077 3.886 3.960 0.005 0.000 0.245 562 G C 0.546 175.622 174.900 0.294 0.000 1.294 562 G CA -0.125 45.073 45.100 0.162 0.000 0.896 562 G HN 0.242 nan 8.290 nan 0.000 0.522 563 Q N 1.777 121.714 119.800 0.229 0.000 2.302 563 Q HA 0.127 4.470 4.340 0.005 0.000 0.202 563 Q C 0.908 177.112 176.000 0.340 0.000 0.936 563 Q CA 0.218 56.193 55.803 0.286 0.000 0.886 563 Q CB 0.043 28.892 28.738 0.186 0.000 0.986 563 Q HN 0.647 nan 8.270 nan 0.000 0.487 564 I N 2.132 122.859 120.570 0.263 0.000 2.428 564 I HA 0.106 4.279 4.170 0.005 0.000 0.289 564 I C -0.475 175.773 176.117 0.219 0.000 1.019 564 I CA -0.406 61.035 61.300 0.236 0.000 1.351 564 I CB 1.175 39.312 38.000 0.228 0.000 1.412 564 I HN 0.146 nan 8.210 nan 0.000 0.513 565 L N 6.399 127.727 121.223 0.174 0.000 2.259 565 L HA 0.263 4.606 4.340 0.005 0.000 0.288 565 L C -0.182 176.789 176.870 0.169 0.000 1.051 565 L CA -0.477 54.445 54.840 0.137 0.000 0.824 565 L CB 0.858 42.930 42.059 0.021 0.000 1.206 565 L HN 0.572 nan 8.230 nan 0.000 0.429 566 Q N 2.839 122.734 119.800 0.159 0.000 2.430 566 Q HA 0.151 4.494 4.340 0.005 0.000 0.245 566 Q C 0.109 176.195 176.000 0.145 0.000 1.021 566 Q CA -0.096 55.802 55.803 0.158 0.000 0.867 566 Q CB 1.063 29.855 28.738 0.090 0.000 1.210 566 Q HN 0.385 nan 8.270 nan 0.000 0.487 567 E N 3.217 123.506 120.200 0.149 0.000 2.479 567 E HA 0.205 4.558 4.350 0.005 0.000 0.193 567 E C 0.760 177.432 176.600 0.120 0.000 1.049 567 E CA 0.591 57.068 56.400 0.128 0.000 0.870 567 E CB 0.279 30.015 29.700 0.059 0.000 0.944 567 E HN 0.916 nan 8.360 nan 0.000 0.492 568 G N 2.022 110.906 108.800 0.141 0.000 2.562 568 G HA2 -0.307 3.656 3.960 0.005 0.000 0.250 568 G HA3 -0.307 3.656 3.960 0.005 0.000 0.250 568 G C 0.059 175.032 174.900 0.122 0.000 1.269 568 G CA -0.218 44.958 45.100 0.126 0.000 0.919 568 G HN 0.223 nan 8.290 nan 0.000 0.574 569 I N 2.248 122.865 120.570 0.079 0.000 2.270 569 I HA 0.335 4.508 4.170 0.005 0.000 0.300 569 I C 0.493 176.615 176.117 0.008 0.000 1.186 569 I CA 0.302 61.624 61.300 0.037 0.000 1.431 569 I CB -0.282 37.718 38.000 0.001 0.000 1.485 569 I HN 0.527 nan 8.210 nan 0.000 0.650 570 N N 3.766 122.475 118.700 0.016 0.000 3.354 570 N HA 0.042 4.785 4.740 0.005 0.000 0.196 570 N C 0.107 175.589 175.510 -0.045 0.000 1.486 570 N CA -0.193 52.844 53.050 -0.022 0.000 0.768 570 N CB 0.622 39.111 38.487 0.004 0.000 1.625 570 N HN 0.214 nan 8.380 nan 0.000 0.636 571 E N 0.720 120.896 120.200 -0.039 0.000 2.208 571 E HA 0.011 4.364 4.350 0.005 0.000 0.193 571 E C 1.430 177.935 176.600 -0.158 0.000 0.988 571 E CA 0.644 57.026 56.400 -0.031 0.000 0.828 571 E CB 0.219 29.916 29.700 -0.005 0.000 0.763 571 E HN 0.527 nan 8.360 nan 0.000 0.478 572 L N 0.117 121.244 121.223 -0.159 0.000 2.027 572 L HA 0.031 4.374 4.340 0.005 0.000 0.206 572 L C 2.130 178.791 176.870 -0.349 0.000 1.074 572 L CA 2.090 56.815 54.840 -0.193 0.000 0.745 572 L CB -0.989 40.999 42.059 -0.117 0.000 0.898 572 L HN 0.189 nan 8.230 nan 0.000 0.433 573 G N -1.134 107.404 108.800 -0.437 0.000 2.440 573 G HA2 -0.280 3.682 3.960 0.005 0.000 0.218 573 G HA3 -0.280 3.682 3.960 0.005 0.000 0.218 573 G C 1.619 175.955 174.900 -0.939 0.000 1.154 573 G CA 0.879 45.352 45.100 -1.046 0.000 0.767 573 G HN 0.609 nan 8.290 nan 0.000 0.552 574 A N 0.907 123.393 122.820 -0.557 0.000 1.908 574 A HA 0.113 4.436 4.320 0.005 0.000 0.218 574 A C 2.728 179.848 177.584 -0.774 0.000 1.181 574 A CA 2.204 53.857 52.037 -0.639 0.000 0.627 574 A CB -1.132 17.434 19.000 -0.724 0.000 0.818 574 A HN 0.561 nan 8.150 nan 0.000 0.445 575 G N -1.050 107.364 108.800 -0.643 0.000 2.418 575 G HA2 -0.252 3.711 3.960 0.005 0.000 0.217 575 G HA3 -0.252 3.711 3.960 0.005 0.000 0.217 575 G C 1.574 176.388 174.900 -0.143 0.000 1.158 575 G CA 1.303 46.174 45.100 -0.382 0.000 0.771 575 G HN 0.532 nan 8.290 nan 0.000 0.545 576 C N 0.515 119.667 119.300 -0.246 0.000 2.429 576 C HA 0.012 4.475 4.460 0.005 0.000 0.277 576 C C 3.382 178.330 174.990 -0.069 0.000 1.262 576 C CA 1.167 60.114 59.018 -0.119 0.000 1.733 576 C CB -0.862 26.790 27.740 -0.146 0.000 2.010 576 C HN 0.409 nan 8.230 nan 0.000 0.483 577 S N -0.528 115.086 115.700 -0.143 0.000 2.353 577 S HA -0.248 4.225 4.470 0.005 0.000 0.222 577 S C 1.440 175.956 174.600 -0.140 0.000 1.035 577 S CA 1.714 59.886 58.200 -0.047 0.000 1.025 577 S CB -0.520 62.671 63.200 -0.016 0.000 0.902 577 S HN 0.825 nan 8.310 nan 0.000 0.440 578 W N 2.043 123.159 121.300 -0.308 0.000 2.321 578 W HA -0.172 4.491 4.660 0.005 0.000 0.306 578 W C 1.860 178.242 176.519 -0.227 0.000 1.217 578 W CA 1.236 58.436 57.345 -0.242 0.000 1.257 578 W CB -0.528 28.801 29.460 -0.219 0.000 1.145 578 W HN 0.275 nan 8.180 nan 0.000 0.509 579 L N 1.378 122.563 121.223 -0.063 0.000 2.109 579 L HA 0.051 4.394 4.340 0.005 0.000 0.207 579 L C 2.468 179.158 176.870 -0.299 0.000 1.086 579 L CA 2.530 57.229 54.840 -0.234 0.000 0.760 579 L CB -1.397 40.688 42.059 0.044 0.000 0.910 579 L HN 0.063 nan 8.230 nan 0.000 0.437 580 A N -0.385 122.261 122.820 -0.289 0.000 1.877 580 A HA -0.105 4.218 4.320 0.005 0.000 0.216 580 A C 2.442 179.545 177.584 -0.802 0.000 1.186 580 A CA 1.847 53.663 52.037 -0.368 0.000 0.620 580 A CB -1.157 17.684 19.000 -0.266 0.000 0.822 580 A HN 0.547 nan 8.150 nan 0.000 0.443 581 A N -0.266 121.844 122.820 -1.183 0.000 1.898 581 A HA 0.240 4.563 4.320 0.005 0.000 0.216 581 A C 2.411 179.682 177.584 -0.522 0.000 1.181 581 A CA 1.806 53.171 52.037 -1.119 0.000 0.620 581 A CB -0.956 17.590 19.000 -0.757 0.000 0.819 581 A HN 1.120 nan 8.150 nan 0.000 0.442 582 A N -0.522 121.926 122.820 -0.620 0.000 2.172 582 A HA 0.062 4.385 4.320 0.005 0.000 0.216 582 A C 1.833 179.348 177.584 -0.114 0.000 1.154 582 A CA 1.974 53.696 52.037 -0.526 0.000 0.701 582 A CB -0.768 17.497 19.000 -1.226 0.000 0.789 582 A HN 0.807 nan 8.150 nan 0.000 0.465 583 T N -5.069 109.396 114.554 -0.148 0.000 3.170 583 T HA 0.212 4.564 4.350 0.005 0.000 0.288 583 T C 1.339 175.919 174.700 -0.201 0.000 0.992 583 T CA 0.658 62.678 62.100 -0.133 0.000 0.909 583 T CB 0.088 68.863 68.868 -0.155 0.000 1.133 583 T HN 0.149 nan 8.240 nan 0.000 0.530 584 S N 1.550 117.212 115.700 -0.064 0.000 2.399 584 S HA -0.144 4.329 4.470 0.005 0.000 0.231 584 S C 1.887 176.504 174.600 0.029 0.000 1.022 584 S CA 1.390 59.608 58.200 0.031 0.000 0.983 584 S CB -0.679 62.624 63.200 0.171 0.000 0.803 584 S HN 0.815 nan 8.310 nan 0.000 0.480 585 Y N 0.841 121.181 120.300 0.068 0.000 2.241 585 Y HA -0.021 4.532 4.550 0.005 0.000 0.286 585 Y C 2.510 178.507 175.900 0.162 0.000 1.166 585 Y CA 1.573 59.737 58.100 0.107 0.000 1.203 585 Y CB -1.051 37.514 38.460 0.175 0.000 0.977 585 Y HN 0.302 nan 8.280 nan 0.000 0.529 586 S N -0.739 114.513 115.700 -0.746 0.000 2.384 586 S HA -0.130 4.343 4.470 0.005 0.000 0.217 586 S C 2.152 176.620 174.600 -0.219 0.000 1.041 586 S CA 1.117 59.011 58.200 -0.510 0.000 0.948 586 S CB -1.012 61.732 63.200 -0.759 0.000 0.872 586 S HN 0.650 nan 8.310 nan 0.000 0.512 587 T N 1.501 115.931 114.554 -0.205 0.000 2.720 587 T HA -0.023 4.330 4.350 0.005 0.000 0.268 587 T C 1.215 175.917 174.700 0.004 0.000 1.037 587 T CA 1.562 63.620 62.100 -0.071 0.000 1.144 587 T CB -0.380 68.507 68.868 0.033 0.000 0.864 587 T HN 0.412 nan 8.240 nan 0.000 0.444 588 N N 0.719 119.435 118.700 0.028 0.000 2.241 588 N HA 0.101 4.844 4.740 0.005 0.000 0.238 588 N C -0.113 175.433 175.510 0.059 0.000 1.244 588 N CA -0.009 53.071 53.050 0.051 0.000 0.880 588 N CB 0.245 38.778 38.487 0.077 0.000 1.179 588 N HN 0.339 nan 8.380 nan 0.000 0.513 589 N N 1.105 119.848 118.700 0.071 0.000 2.699 589 N HA -0.225 4.517 4.740 0.005 0.000 0.256 589 N C -1.242 174.342 175.510 0.123 0.000 0.993 589 N CA 0.385 53.513 53.050 0.130 0.000 0.759 589 N CB -1.092 37.462 38.487 0.111 0.000 0.906 589 N HN 0.301 nan 8.380 nan 0.000 0.541 590 L N 0.797 122.082 121.223 0.104 0.000 2.514 590 L HA 0.526 4.869 4.340 0.005 0.000 0.257 590 L C -2.396 174.496 176.870 0.037 0.000 1.101 590 L CA -1.498 53.381 54.840 0.064 0.000 0.911 590 L CB 1.412 43.513 42.059 0.070 0.000 1.162 590 L HN -0.025 nan 8.230 nan 0.000 0.477 591 P HA 0.153 nan 4.420 nan 0.000 0.265 591 P C -0.960 176.243 177.300 -0.161 0.000 1.193 591 P CA 0.108 63.112 63.100 -0.160 0.000 0.765 591 P CB 0.879 32.165 31.700 -0.690 0.000 0.823 592 M N 3.335 122.848 119.600 -0.146 0.000 2.518 592 M HA 0.470 4.952 4.480 0.005 0.000 0.300 592 M C -0.101 175.998 176.300 -0.335 0.000 1.175 592 M CA -0.786 54.447 55.300 -0.111 0.000 0.890 592 M CB 2.039 34.733 32.600 0.156 0.000 1.710 592 M HN 0.232 nan 8.290 nan 0.000 0.453 593 I N 4.556 124.982 120.570 -0.240 0.000 2.464 593 I HA 0.294 4.467 4.170 0.005 0.000 0.277 593 I C -2.234 173.898 176.117 0.025 0.000 1.040 593 I CA -1.563 59.582 61.300 -0.259 0.000 1.153 593 I CB 1.853 39.708 38.000 -0.243 0.000 1.274 593 I HN 0.232 nan 8.210 nan 0.000 0.469 594 P HA 0.314 nan 4.420 nan 0.000 0.284 594 P C -1.107 176.331 177.300 0.231 0.000 1.253 594 P CA -0.217 62.974 63.100 0.151 0.000 0.800 594 P CB 0.959 32.631 31.700 -0.046 0.000 0.961 595 F N 2.602 122.851 119.950 0.499 0.000 2.716 595 F HA 0.242 4.772 4.527 0.005 0.000 0.354 595 F C -0.309 175.800 175.800 0.515 0.000 1.168 595 F CA -0.713 57.607 58.000 0.532 0.000 1.045 595 F CB 1.240 40.497 39.000 0.428 0.000 1.311 595 F HN 0.235 nan 8.300 nan 0.000 0.477 596 Y N 5.882 126.445 120.300 0.437 0.000 2.417 596 Y HA 0.603 5.156 4.550 0.005 0.000 0.336 596 Y C -1.006 174.998 175.900 0.173 0.000 0.961 596 Y CA -1.928 56.330 58.100 0.263 0.000 1.215 596 Y CB 0.552 39.070 38.460 0.097 0.000 1.120 596 Y HN 0.562 nan 8.280 nan 0.000 0.499 597 I N 8.794 129.362 120.570 -0.004 0.000 2.428 597 I HA 0.497 4.670 4.170 0.005 0.000 0.296 597 I C -1.516 174.257 176.117 -0.573 0.000 0.985 597 I CA -0.617 60.364 61.300 -0.531 0.000 1.260 597 I CB 0.796 38.440 38.000 -0.593 0.000 1.389 597 I HN 0.717 nan 8.210 nan 0.000 0.484 598 Y N 3.590 123.371 120.300 -0.866 0.000 2.750 598 Y HA 0.390 4.943 4.550 0.005 0.000 0.335 598 Y C -1.853 173.954 175.900 -0.155 0.000 1.252 598 Y CA -1.478 56.398 58.100 -0.373 0.000 1.064 598 Y CB 0.198 38.472 38.460 -0.310 0.000 1.321 598 Y HN 0.334 nan 8.280 nan 0.000 0.451 599 Y N 2.410 122.899 120.300 0.315 0.000 2.697 599 Y HA 0.147 4.700 4.550 0.005 0.000 0.349 599 Y C 1.919 177.784 175.900 -0.059 0.000 1.120 599 Y CA 0.868 59.092 58.100 0.207 0.000 1.468 599 Y CB 0.697 39.364 38.460 0.346 0.000 1.182 599 Y HN 0.825 nan 8.280 nan 0.000 0.525 600 S N 2.242 117.840 115.700 -0.171 0.000 2.409 600 S HA -0.411 4.062 4.470 0.005 0.000 0.237 600 S C 2.037 176.621 174.600 -0.027 0.000 1.060 600 S CA 1.813 59.924 58.200 -0.147 0.000 1.052 600 S CB -0.391 62.747 63.200 -0.102 0.000 0.871 600 S HN 0.792 nan 8.310 nan 0.000 0.465 601 M N 1.529 121.006 119.600 -0.205 0.000 2.106 601 M HA 0.056 4.539 4.480 0.005 0.000 0.259 601 M C 0.595 176.710 176.300 -0.309 0.000 1.068 601 M CA 1.309 56.378 55.300 -0.384 0.000 1.100 601 M CB -1.038 31.131 32.600 -0.719 0.000 1.351 601 M HN 0.350 nan 8.290 nan 0.000 0.404 602 F N -0.223 119.831 119.950 0.172 0.000 2.757 602 F HA 0.406 4.936 4.527 0.005 0.000 0.292 602 F C 1.555 177.382 175.800 0.045 0.000 1.204 602 F CA -0.223 57.842 58.000 0.108 0.000 1.417 602 F CB -1.669 37.390 39.000 0.098 0.000 1.001 602 F HN 0.127 nan 8.300 nan 0.000 0.508 603 G N -0.092 108.814 108.800 0.176 0.000 3.199 603 G HA2 0.038 4.001 3.960 0.005 0.000 0.184 603 G HA3 0.038 4.001 3.960 0.005 0.000 0.184 603 G C 1.115 175.863 174.900 -0.252 0.000 1.974 603 G CA -0.130 44.895 45.100 -0.126 0.000 0.885 603 G HN 0.145 nan 8.290 nan 0.000 0.575 604 F N 0.897 120.777 119.950 -0.117 0.000 2.154 604 F HA -0.111 4.419 4.527 0.005 0.000 0.301 604 F C 2.925 178.714 175.800 -0.017 0.000 1.087 604 F CA 1.776 59.721 58.000 -0.091 0.000 1.274 604 F CB -0.481 38.438 39.000 -0.134 0.000 1.009 604 F HN 0.305 nan 8.300 nan 0.000 0.485 605 Q N 0.353 120.268 119.800 0.192 0.000 2.112 605 Q HA -0.284 4.058 4.340 0.005 0.000 0.206 605 Q C 2.292 178.367 176.000 0.124 0.000 0.987 605 Q CA 2.006 57.907 55.803 0.163 0.000 0.858 605 Q CB -0.037 28.811 28.738 0.183 0.000 0.905 605 Q HN 0.226 nan 8.270 nan 0.000 0.420 606 R N 0.427 120.991 120.500 0.107 0.000 2.146 606 R HA 0.101 4.444 4.340 0.005 0.000 0.206 606 R C 1.415 177.724 176.300 0.016 0.000 1.049 606 R CA 1.151 57.299 56.100 0.079 0.000 1.029 606 R CB 0.167 30.545 30.300 0.129 0.000 0.949 606 R HN 0.467 nan 8.270 nan 0.000 0.471 607 I N -2.881 117.669 120.570 -0.033 0.000 3.707 607 I HA 0.539 4.711 4.170 0.005 0.000 0.330 607 I C 1.041 177.138 176.117 -0.033 0.000 1.572 607 I CA -0.236 61.024 61.300 -0.066 0.000 1.104 607 I CB 0.884 38.791 38.000 -0.154 0.000 1.240 607 I HN 0.050 nan 8.210 nan 0.000 0.475 608 G N 1.382 110.207 108.800 0.041 0.000 2.469 608 G HA2 -0.311 3.652 3.960 0.005 0.000 0.219 608 G HA3 -0.311 3.652 3.960 0.005 0.000 0.219 608 G C 1.152 176.158 174.900 0.177 0.000 1.150 608 G CA 1.433 46.616 45.100 0.138 0.000 0.763 608 G HN 0.464 nan 8.290 nan 0.000 0.561 609 D N -0.439 120.035 120.400 0.124 0.000 2.219 609 D HA -0.012 4.631 4.640 0.005 0.000 0.205 609 D C 2.280 178.701 176.300 0.203 0.000 0.970 609 D CA 0.070 54.163 54.000 0.154 0.000 0.851 609 D CB -0.149 40.701 40.800 0.083 0.000 0.943 609 D HN 0.232 nan 8.370 nan 0.000 0.488 610 L N -0.259 121.043 121.223 0.132 0.000 2.095 610 L HA -0.117 4.226 4.340 0.005 0.000 0.204 610 L C 1.919 178.881 176.870 0.153 0.000 1.080 610 L CA 0.931 55.841 54.840 0.117 0.000 0.759 610 L CB -0.445 41.633 42.059 0.033 0.000 0.914 610 L HN 0.185 nan 8.230 nan 0.000 0.439 611 C N -0.675 118.707 119.300 0.137 0.000 2.422 611 C HA -0.217 4.246 4.460 0.005 0.000 0.279 611 C C 2.584 177.798 174.990 0.372 0.000 1.305 611 C CA 0.471 59.599 59.018 0.184 0.000 1.757 611 C CB -1.291 26.566 27.740 0.196 0.000 1.962 611 C HN 0.770 nan 8.230 nan 0.000 0.499 612 W N 1.418 122.840 121.300 0.204 0.000 2.418 612 W HA -0.021 4.642 4.660 0.005 0.000 0.292 612 W C 2.278 178.917 176.519 0.200 0.000 1.213 612 W CA 1.362 58.828 57.345 0.202 0.000 1.283 612 W CB -0.365 29.180 29.460 0.141 0.000 1.119 612 W HN 0.327 nan 8.180 nan 0.000 0.542 613 A N 0.804 123.814 122.820 0.317 0.000 1.968 613 A HA 0.025 4.348 4.320 0.005 0.000 0.217 613 A C 2.122 179.800 177.584 0.157 0.000 1.169 613 A CA 1.924 54.096 52.037 0.225 0.000 0.638 613 A CB -1.104 18.039 19.000 0.238 0.000 0.812 613 A HN 0.239 nan 8.150 nan 0.000 0.446 614 A N -0.330 122.593 122.820 0.172 0.000 1.969 614 A HA 0.151 4.474 4.320 0.005 0.000 0.218 614 A C 2.331 180.031 177.584 0.193 0.000 1.169 614 A CA 1.758 53.887 52.037 0.152 0.000 0.635 614 A CB -1.205 17.884 19.000 0.149 0.000 0.810 614 A HN 0.656 nan 8.150 nan 0.000 0.445 615 G N -0.248 108.698 108.800 0.243 0.000 2.418 615 G HA2 -0.274 3.689 3.960 0.005 0.000 0.217 615 G HA3 -0.274 3.689 3.960 0.005 0.000 0.217 615 G C 1.327 176.236 174.900 0.016 0.000 1.158 615 G CA 1.328 46.541 45.100 0.189 0.000 0.771 615 G HN 0.512 nan 8.290 nan 0.000 0.545 616 D N -0.034 120.341 120.400 -0.042 0.000 2.178 616 D HA -0.101 4.542 4.640 0.005 0.000 0.201 616 D C 2.210 178.560 176.300 0.082 0.000 0.980 616 D CA 0.821 54.830 54.000 0.015 0.000 0.842 616 D CB -0.173 40.685 40.800 0.096 0.000 0.948 616 D HN 0.466 nan 8.370 nan 0.000 0.472 617 Q N -0.416 119.439 119.800 0.091 0.000 2.280 617 Q HA 0.039 4.382 4.340 0.005 0.000 0.202 617 Q C -0.282 175.761 176.000 0.072 0.000 0.903 617 Q CA -0.055 55.790 55.803 0.070 0.000 0.948 617 Q CB 0.101 28.889 28.738 0.082 0.000 1.058 617 Q HN 0.094 nan 8.270 nan 0.000 0.493 618 Q N -1.205 118.661 119.800 0.110 0.000 2.468 618 Q HA -0.210 4.133 4.340 0.005 0.000 0.289 618 Q C -0.610 175.519 176.000 0.215 0.000 1.299 618 Q CA 0.953 56.851 55.803 0.158 0.000 0.838 618 Q CB -2.339 26.502 28.738 0.171 0.000 1.195 618 Q HN 0.522 nan 8.270 nan 0.000 0.456 619 A N 1.202 124.117 122.820 0.159 0.000 2.520 619 A HA 0.314 4.637 4.320 0.005 0.000 0.245 619 A C 0.455 178.081 177.584 0.071 0.000 1.072 619 A CA 0.330 52.382 52.037 0.025 0.000 0.761 619 A CB 0.307 19.193 19.000 -0.190 0.000 1.004 619 A HN 0.316 nan 8.150 nan 0.000 0.499 620 R N 2.293 122.777 120.500 -0.028 0.000 2.352 620 R HA 0.534 4.877 4.340 0.005 0.000 0.304 620 R C 0.253 176.512 176.300 -0.069 0.000 1.104 620 R CA 0.162 56.221 56.100 -0.068 0.000 0.991 620 R CB 1.714 31.791 30.300 -0.372 0.000 1.140 620 R HN 0.958 nan 8.270 nan 0.000 0.540 621 G N 1.327 110.085 108.800 -0.070 0.000 2.706 621 G HA2 0.553 4.515 3.960 0.005 0.000 0.307 621 G HA3 0.553 4.515 3.960 0.005 0.000 0.307 621 G C -1.673 173.315 174.900 0.147 0.000 1.307 621 G CA -0.543 44.519 45.100 -0.062 0.000 0.790 621 G HN 0.225 nan 8.290 nan 0.000 0.503 622 F N 0.336 120.540 119.950 0.424 0.000 2.460 622 F HA 0.543 5.073 4.527 0.005 0.000 0.341 622 F C 0.060 176.104 175.800 0.407 0.000 1.130 622 F CA -0.551 57.667 58.000 0.363 0.000 0.962 622 F CB 2.186 41.163 39.000 -0.038 0.000 1.171 622 F HN 0.038 nan 8.300 nan 0.000 0.436 623 L N 5.386 126.886 121.223 0.462 0.000 2.265 623 L HA 0.458 4.801 4.340 0.005 0.000 0.289 623 L C -0.678 176.326 176.870 0.223 0.000 1.033 623 L CA -0.542 54.382 54.840 0.139 0.000 0.814 623 L CB 0.878 42.926 42.059 -0.017 0.000 1.203 623 L HN 0.444 nan 8.230 nan 0.000 0.423 624 I N 3.430 123.967 120.570 -0.055 0.000 2.354 624 I HA 0.250 4.422 4.170 0.005 0.000 0.286 624 I C 0.777 176.425 176.117 -0.781 0.000 1.007 624 I CA -0.160 60.904 61.300 -0.393 0.000 1.167 624 I CB 1.368 38.965 38.000 -0.671 0.000 1.320 624 I HN 0.573 nan 8.210 nan 0.000 0.458 625 G N 5.542 113.949 108.800 -0.654 0.000 2.857 625 G HA2 0.476 4.439 3.960 0.005 0.000 0.326 625 G HA3 0.476 4.439 3.960 0.005 0.000 0.326 625 G C 0.532 175.069 174.900 -0.606 0.000 0.950 625 G CA -0.342 44.289 45.100 -0.781 0.000 1.400 625 G HN 0.725 nan 8.290 nan 0.000 0.473 626 G N 1.337 109.685 108.800 -0.753 0.000 2.683 626 G HA2 0.441 4.404 3.960 0.005 0.000 0.260 626 G HA3 0.441 4.404 3.960 0.005 0.000 0.260 626 G C 0.968 175.763 174.900 -0.175 0.000 1.238 626 G CA 0.504 45.333 45.100 -0.452 0.000 0.934 626 G HN 1.653 nan 8.290 nan 0.000 0.534 627 T N -2.607 111.933 114.554 -0.023 0.000 3.473 627 T HA -0.144 4.208 4.350 0.005 0.000 0.403 627 T C 0.432 175.126 174.700 -0.010 0.000 0.768 627 T CA 0.793 62.898 62.100 0.008 0.000 2.009 627 T CB -2.515 66.374 68.868 0.034 0.000 1.715 627 T HN 1.793 nan 8.240 nan 0.000 0.666 628 S N -0.077 115.602 115.700 -0.036 0.000 2.722 628 S HA 0.871 5.344 4.470 0.005 0.000 0.292 628 S C 0.692 175.246 174.600 -0.076 0.000 1.135 628 S CA -0.172 58.012 58.200 -0.026 0.000 1.003 628 S CB 1.773 64.996 63.200 0.039 0.000 1.067 628 S HN 2.467 nan 8.310 nan 0.000 0.546 629 G N 0.672 109.336 108.800 -0.227 0.000 3.039 629 G HA2 -0.106 3.856 3.960 0.005 0.000 0.686 629 G HA3 -0.106 3.856 3.960 0.005 0.000 0.686 629 G C -0.048 174.643 174.900 -0.348 0.000 1.066 629 G CA -0.044 44.770 45.100 -0.477 0.000 0.774 629 G HN 0.882 nan 8.290 nan 0.000 0.591 630 R N 0.536 120.759 120.500 -0.461 0.000 2.070 630 R HA -0.061 4.282 4.340 0.005 0.000 0.233 630 R C 3.055 179.230 176.300 -0.209 0.000 1.137 630 R CA 3.263 59.144 56.100 -0.365 0.000 0.945 630 R CB -0.503 29.412 30.300 -0.641 0.000 0.845 630 R HN 1.114 nan 8.270 nan 0.000 0.430 631 T N -3.678 110.762 114.554 -0.189 0.000 3.067 631 T HA 0.044 4.397 4.350 0.005 0.000 0.261 631 T C 1.534 176.236 174.700 0.004 0.000 1.110 631 T CA 1.093 63.180 62.100 -0.021 0.000 1.113 631 T CB -0.045 68.828 68.868 0.008 0.000 0.917 631 T HN 0.178 nan 8.240 nan 0.000 0.499 632 T N 2.006 116.544 114.554 -0.027 0.000 2.896 632 T HA 0.176 4.529 4.350 0.005 0.000 0.263 632 T C 0.755 175.472 174.700 0.027 0.000 1.050 632 T CA 0.283 62.393 62.100 0.017 0.000 1.140 632 T CB -0.278 68.599 68.868 0.014 0.000 0.877 632 T HN 0.268 nan 8.240 nan 0.000 0.457 633 L N 4.589 125.823 121.223 0.019 0.000 2.536 633 L HA 0.301 4.644 4.340 0.005 0.000 0.242 633 L C 1.426 178.323 176.870 0.044 0.000 1.280 633 L CA -0.649 54.215 54.840 0.040 0.000 1.221 633 L CB -0.861 41.238 42.059 0.067 0.000 1.449 633 L HN 0.144 nan 8.230 nan 0.000 0.405 634 N N 0.609 119.335 118.700 0.045 0.000 2.061 634 N HA -0.211 4.532 4.740 0.005 0.000 0.193 634 N C 1.399 176.936 175.510 0.044 0.000 1.030 634 N CA 1.627 54.710 53.050 0.054 0.000 0.856 634 N CB -0.433 38.087 38.487 0.055 0.000 1.023 634 N HN 0.520 nan 8.380 nan 0.000 0.424 635 G N 0.858 109.673 108.800 0.024 0.000 2.403 635 G HA2 -0.150 3.813 3.960 0.005 0.000 0.216 635 G HA3 -0.150 3.813 3.960 0.005 0.000 0.216 635 G C 1.502 176.395 174.900 -0.012 0.000 1.154 635 G CA 0.224 45.328 45.100 0.008 0.000 0.784 635 G HN 0.247 nan 8.290 nan 0.000 0.538 636 E N 0.703 120.880 120.200 -0.038 0.000 2.118 636 E HA 0.038 4.391 4.350 0.005 0.000 0.195 636 E C 1.885 178.474 176.600 -0.018 0.000 0.992 636 E CA 0.849 57.173 56.400 -0.127 0.000 0.804 636 E CB -0.591 28.959 29.700 -0.250 0.000 0.741 636 E HN 0.488 nan 8.360 nan 0.000 0.458 637 G N 0.961 109.800 108.800 0.066 0.000 2.584 637 G HA2 -0.306 3.657 3.960 0.005 0.000 0.229 637 G HA3 -0.306 3.657 3.960 0.005 0.000 0.229 637 G C 0.616 175.630 174.900 0.189 0.000 1.320 637 G CA -0.086 45.087 45.100 0.121 0.000 0.891 637 G HN 0.232 nan 8.290 nan 0.000 0.573 638 L N 0.398 121.730 121.223 0.181 0.000 2.040 638 L HA -0.224 4.119 4.340 0.005 0.000 0.228 638 L C 2.590 179.600 176.870 0.233 0.000 1.092 638 L CA 3.348 58.316 54.840 0.214 0.000 0.805 638 L CB -1.029 41.111 42.059 0.136 0.000 0.905 638 L HN 0.826 nan 8.230 nan 0.000 0.443 639 Q N -2.283 117.656 119.800 0.232 0.000 2.444 639 Q HA -0.094 4.249 4.340 0.005 0.000 0.206 639 Q C 1.162 177.172 176.000 0.017 0.000 0.948 639 Q CA 0.330 56.234 55.803 0.169 0.000 0.946 639 Q CB 0.221 29.050 28.738 0.150 0.000 1.027 639 Q HN 0.676 nan 8.270 nan 0.000 0.513 640 H N -0.879 118.220 119.070 0.049 0.000 2.926 640 H HA 0.167 4.726 4.556 0.005 0.000 0.249 640 H C -0.239 175.063 175.328 -0.044 0.000 0.963 640 H CA -0.180 55.840 56.048 -0.048 0.000 1.158 640 H CB 0.705 30.493 29.762 0.042 0.000 1.445 640 H HN 0.064 nan 8.280 nan 0.000 0.452 641 E N 2.260 122.545 120.200 0.141 0.000 2.238 641 E HA 0.006 4.359 4.350 0.005 0.000 0.264 641 E C -0.645 175.951 176.600 -0.005 0.000 1.136 641 E CA -0.085 56.348 56.400 0.055 0.000 0.929 641 E CB 0.406 30.151 29.700 0.076 0.000 1.010 641 E HN 0.229 nan 8.360 nan 0.000 0.440 642 D N 2.636 122.978 120.400 -0.098 0.000 2.411 642 D HA 0.196 4.839 4.640 0.005 0.000 0.225 642 D C 0.326 176.466 176.300 -0.266 0.000 1.156 642 D CA -0.420 53.462 54.000 -0.197 0.000 0.874 642 D CB 0.683 41.383 40.800 -0.167 0.000 1.034 642 D HN 0.481 nan 8.370 nan 0.000 0.502 643 G N 2.924 111.616 108.800 -0.179 0.000 3.969 643 G HA2 0.031 3.994 3.960 0.005 0.000 0.291 643 G HA3 0.031 3.994 3.960 0.005 0.000 0.291 643 G C 0.488 175.486 174.900 0.163 0.000 1.016 643 G CA -0.417 44.555 45.100 -0.213 0.000 0.819 643 G HN 0.675 nan 8.290 nan 0.000 0.493 644 H N -1.997 117.154 119.070 0.135 0.000 3.726 644 H HA 0.069 4.628 4.556 0.005 0.000 0.262 644 H C 1.760 177.116 175.328 0.046 0.000 1.181 644 H CA 0.759 56.856 56.048 0.082 0.000 1.143 644 H CB -0.453 29.307 29.762 -0.004 0.000 1.627 644 H HN 0.225 nan 8.280 nan 0.000 0.750 645 S N 1.169 116.738 115.700 -0.219 0.000 2.374 645 S HA -0.260 4.213 4.470 0.005 0.000 0.227 645 S C 1.675 176.132 174.600 -0.239 0.000 1.037 645 S CA 1.431 59.545 58.200 -0.144 0.000 1.024 645 S CB -0.954 62.250 63.200 0.006 0.000 0.861 645 S HN 0.494 nan 8.310 nan 0.000 0.456 646 H N 1.033 119.949 119.070 -0.257 0.000 2.489 646 H HA 0.051 4.609 4.556 0.005 0.000 0.293 646 H C 1.870 177.061 175.328 -0.229 0.000 1.066 646 H CA 1.412 57.241 56.048 -0.365 0.000 1.305 646 H CB -0.120 29.035 29.762 -1.013 0.000 1.386 646 H HN 0.408 nan 8.280 nan 0.000 0.551 647 I N 0.668 121.209 120.570 -0.050 0.000 2.500 647 I HA -0.162 4.011 4.170 0.005 0.000 0.252 647 I C 2.085 178.156 176.117 -0.077 0.000 1.142 647 I CA 0.877 62.181 61.300 0.006 0.000 1.451 647 I CB -0.737 37.298 38.000 0.058 0.000 1.093 647 I HN 0.272 nan 8.210 nan 0.000 0.430 648 Q N 0.636 120.337 119.800 -0.165 0.000 2.096 648 Q HA -0.106 4.237 4.340 0.005 0.000 0.197 648 Q C 2.347 178.048 176.000 -0.498 0.000 0.964 648 Q CA 1.837 57.504 55.803 -0.228 0.000 0.838 648 Q CB -0.282 28.372 28.738 -0.140 0.000 0.906 648 Q HN 0.544 nan 8.270 nan 0.000 0.444 649 S N 1.661 116.781 115.700 -0.968 0.000 2.419 649 S HA -0.131 4.342 4.470 0.005 0.000 0.233 649 S C 1.945 176.302 174.600 -0.405 0.000 1.016 649 S CA 1.132 58.645 58.200 -1.146 0.000 0.974 649 S CB -0.500 61.904 63.200 -1.327 0.000 0.786 649 S HN 0.437 nan 8.310 nan 0.000 0.492 650 L N 1.768 122.865 121.223 -0.210 0.000 2.622 650 L HA 0.252 4.595 4.340 0.005 0.000 0.233 650 L C 1.989 178.838 176.870 -0.035 0.000 1.156 650 L CA 1.265 56.062 54.840 -0.073 0.000 0.866 650 L CB -1.784 40.283 42.059 0.013 0.000 0.980 650 L HN 0.463 nan 8.230 nan 0.000 0.448 651 T N -2.702 111.833 114.554 -0.032 0.000 3.035 651 T HA 0.231 4.584 4.350 0.005 0.000 0.259 651 T C 0.917 175.747 174.700 0.216 0.000 1.078 651 T CA 0.160 62.311 62.100 0.085 0.000 1.132 651 T CB -0.533 68.385 68.868 0.084 0.000 0.900 651 T HN 0.299 nan 8.240 nan 0.000 0.480 652 I N 3.153 123.796 120.570 0.122 0.000 2.363 652 I HA 0.221 4.394 4.170 0.005 0.000 0.292 652 I C -1.584 174.479 176.117 -0.090 0.000 1.075 652 I CA -2.322 59.020 61.300 0.070 0.000 1.333 652 I CB 1.411 39.456 38.000 0.076 0.000 1.415 652 I HN -0.019 nan 8.210 nan 0.000 0.502 653 P HA -0.194 nan 4.420 nan 0.000 0.216 653 P C 0.479 177.685 177.300 -0.155 0.000 1.154 653 P CA 1.432 64.461 63.100 -0.118 0.000 0.865 653 P CB -0.024 31.603 31.700 -0.122 0.000 0.789 654 N N -1.984 116.592 118.700 -0.207 0.000 2.376 654 N HA 0.050 4.793 4.740 0.005 0.000 0.249 654 N C -0.884 174.390 175.510 -0.393 0.000 1.140 654 N CA -0.412 52.513 53.050 -0.207 0.000 0.870 654 N CB -1.104 37.310 38.487 -0.121 0.000 1.124 654 N HN 0.057 nan 8.380 nan 0.000 0.505 655 C N 1.464 120.481 119.300 -0.473 0.000 2.322 655 C HA 0.605 5.068 4.460 0.005 0.000 0.324 655 C C -0.631 174.175 174.990 -0.308 0.000 1.284 655 C CA -1.002 57.626 59.018 -0.649 0.000 1.606 655 C CB -0.540 26.806 27.740 -0.657 0.000 2.251 655 C HN 0.359 nan 8.230 nan 0.000 0.502 656 I N 6.127 126.533 120.570 -0.274 0.000 2.312 656 I HA 0.320 4.493 4.170 0.005 0.000 0.290 656 I C 0.432 176.402 176.117 -0.245 0.000 1.008 656 I CA 0.309 61.410 61.300 -0.331 0.000 1.226 656 I CB 1.129 38.813 38.000 -0.526 0.000 1.371 656 I HN 0.664 nan 8.210 nan 0.000 0.468 657 S N 6.468 122.052 115.700 -0.192 0.000 2.489 657 S HA 0.703 5.176 4.470 0.005 0.000 0.291 657 S C -0.936 173.545 174.600 -0.198 0.000 1.151 657 S CA -0.410 57.808 58.200 0.029 0.000 1.082 657 S CB 1.203 64.574 63.200 0.285 0.000 1.019 657 S HN 0.362 nan 8.310 nan 0.000 0.492 658 Y N 0.658 121.025 120.300 0.112 0.000 2.457 658 Y HA 0.377 4.930 4.550 0.005 0.000 0.343 658 Y C -0.326 175.585 175.900 0.018 0.000 0.994 658 Y CA -0.949 57.176 58.100 0.043 0.000 1.031 658 Y CB 1.789 40.274 38.460 0.042 0.000 1.246 658 Y HN 0.587 nan 8.280 nan 0.000 0.449 659 D N 4.448 124.902 120.400 0.090 0.000 2.607 659 D HA 0.261 4.904 4.640 0.005 0.000 0.318 659 D C -2.868 173.494 176.300 0.103 0.000 1.212 659 D CA -2.170 51.851 54.000 0.034 0.000 0.861 659 D CB 0.822 41.520 40.800 -0.169 0.000 1.064 659 D HN 0.060 nan 8.370 nan 0.000 0.500 660 P HA 0.159 nan 4.420 nan 0.000 0.275 660 P C 0.143 177.445 177.300 0.005 0.000 1.227 660 P CA -0.212 62.927 63.100 0.066 0.000 0.781 660 P CB 2.072 33.813 31.700 0.068 0.000 0.906 661 A N 2.800 125.553 122.820 -0.111 0.000 2.044 661 A HA 0.138 4.460 4.320 0.005 0.000 0.213 661 A C 0.200 177.591 177.584 -0.322 0.000 1.169 661 A CA 0.975 52.831 52.037 -0.302 0.000 0.724 661 A CB -0.399 18.201 19.000 -0.667 0.000 0.840 661 A HN 0.557 nan 8.150 nan 0.000 0.463 662 Y N -2.691 117.564 120.300 -0.075 0.000 2.524 662 Y HA 0.599 5.151 4.550 0.005 0.000 0.344 662 Y C 1.303 177.045 175.900 -0.262 0.000 1.012 662 Y CA -1.032 56.934 58.100 -0.224 0.000 1.068 662 Y CB 1.451 39.547 38.460 -0.606 0.000 1.249 662 Y HN 0.049 nan 8.280 nan 0.000 0.468 663 A N 1.708 124.537 122.820 0.014 0.000 1.908 663 A HA -0.267 4.056 4.320 0.005 0.000 0.218 663 A C 1.818 179.418 177.584 0.027 0.000 1.181 663 A CA 2.362 54.405 52.037 0.010 0.000 0.627 663 A CB -1.370 17.645 19.000 0.026 0.000 0.818 663 A HN 0.930 nan 8.150 nan 0.000 0.445 664 Y N -0.121 120.230 120.300 0.085 0.000 2.256 664 Y HA -0.101 4.452 4.550 0.005 0.000 0.288 664 Y C 1.744 177.672 175.900 0.047 0.000 1.155 664 Y CA 1.280 59.404 58.100 0.040 0.000 1.203 664 Y CB -0.979 37.487 38.460 0.011 0.000 0.980 664 Y HN 0.441 nan 8.280 nan 0.000 0.530 665 E N 0.662 120.849 120.200 -0.021 0.000 2.072 665 E HA -0.105 4.248 4.350 0.005 0.000 0.190 665 E C 2.296 178.913 176.600 0.029 0.000 0.982 665 E CA 1.396 57.844 56.400 0.079 0.000 0.803 665 E CB -0.191 29.538 29.700 0.047 0.000 0.755 665 E HN 0.382 nan 8.360 nan 0.000 0.453 666 V N 1.656 121.575 119.914 0.007 0.000 2.332 666 V HA -0.316 3.806 4.120 0.005 0.000 0.248 666 V C 2.356 178.419 176.094 -0.052 0.000 1.055 666 V CA 1.943 64.246 62.300 0.004 0.000 1.038 666 V CB -0.852 30.993 31.823 0.037 0.000 0.651 666 V HN 0.322 nan 8.190 nan 0.000 0.450 667 A N -0.112 122.667 122.820 -0.069 0.000 1.858 667 A HA -0.176 4.146 4.320 0.005 0.000 0.216 667 A C 2.416 179.838 177.584 -0.270 0.000 1.190 667 A CA 2.248 54.151 52.037 -0.223 0.000 0.617 667 A CB -0.848 18.095 19.000 -0.094 0.000 0.827 667 A HN 0.320 nan 8.150 nan 0.000 0.443 668 V N 0.275 120.132 119.914 -0.095 0.000 2.287 668 V HA -0.298 3.825 4.120 0.005 0.000 0.248 668 V C 2.450 178.524 176.094 -0.034 0.000 1.053 668 V CA 2.172 64.444 62.300 -0.047 0.000 1.027 668 V CB -0.725 31.110 31.823 0.020 0.000 0.646 668 V HN 0.572 nan 8.190 nan 0.000 0.447 669 I N -0.896 119.624 120.570 -0.083 0.000 2.226 669 I HA -0.314 3.858 4.170 0.005 0.000 0.245 669 I C 2.487 178.620 176.117 0.028 0.000 1.100 669 I CA 1.859 63.075 61.300 -0.139 0.000 1.374 669 I CB -0.286 37.495 38.000 -0.367 0.000 1.057 669 I HN 0.284 nan 8.210 nan 0.000 0.413 670 M N -0.688 118.893 119.600 -0.030 0.000 2.175 670 M HA -0.220 4.263 4.480 0.005 0.000 0.264 670 M C 2.493 178.772 176.300 -0.035 0.000 1.063 670 M CA 1.527 56.800 55.300 -0.045 0.000 1.119 670 M CB -0.723 31.750 32.600 -0.212 0.000 1.377 670 M HN 0.339 nan 8.290 nan 0.000 0.415 671 H N 0.025 118.947 119.070 -0.247 0.000 2.321 671 H HA -0.188 4.371 4.556 0.005 0.000 0.300 671 H C 1.465 176.804 175.328 0.018 0.000 1.087 671 H CA 2.227 58.199 56.048 -0.128 0.000 1.319 671 H CB -0.145 29.512 29.762 -0.176 0.000 1.379 671 H HN 0.321 nan 8.280 nan 0.000 0.501 672 D N -0.270 120.143 120.400 0.022 0.000 2.117 672 D HA -0.086 4.557 4.640 0.005 0.000 0.197 672 D C 2.451 178.712 176.300 -0.064 0.000 0.987 672 D CA 1.613 55.618 54.000 0.008 0.000 0.829 672 D CB -0.732 40.147 40.800 0.131 0.000 0.961 672 D HN 0.537 nan 8.370 nan 0.000 0.460 673 G N 0.177 108.891 108.800 -0.143 0.000 2.418 673 G HA2 -0.238 3.725 3.960 0.005 0.000 0.217 673 G HA3 -0.238 3.725 3.960 0.005 0.000 0.217 673 G C 1.617 176.372 174.900 -0.242 0.000 1.158 673 G CA 0.772 45.478 45.100 -0.658 0.000 0.771 673 G HN 0.327 nan 8.290 nan 0.000 0.545 674 L N 0.374 121.661 121.223 0.108 0.000 2.012 674 L HA -0.026 4.317 4.340 0.005 0.000 0.210 674 L C 2.755 179.660 176.870 0.058 0.000 1.073 674 L CA 2.304 57.265 54.840 0.201 0.000 0.748 674 L CB -0.406 41.784 42.059 0.219 0.000 0.891 674 L HN 0.301 nan 8.230 nan 0.000 0.431 675 E N -0.428 119.711 120.200 -0.101 0.000 2.031 675 E HA -0.222 4.131 4.350 0.005 0.000 0.193 675 E C 2.345 178.915 176.600 -0.050 0.000 0.994 675 E CA 1.538 57.874 56.400 -0.106 0.000 0.800 675 E CB -0.064 29.501 29.700 -0.225 0.000 0.752 675 E HN 0.332 nan 8.360 nan 0.000 0.447 676 R N -0.726 119.734 120.500 -0.066 0.000 2.081 676 R HA -0.044 4.299 4.340 0.005 0.000 0.235 676 R C 2.517 178.747 176.300 -0.116 0.000 1.131 676 R CA 1.842 57.907 56.100 -0.059 0.000 0.960 676 R CB -0.225 30.069 30.300 -0.010 0.000 0.856 676 R HN 0.300 nan 8.270 nan 0.000 0.436 677 M N -1.428 118.069 119.600 -0.170 0.000 2.216 677 M HA -0.053 4.430 4.480 0.005 0.000 0.264 677 M C 0.776 176.756 176.300 -0.533 0.000 1.080 677 M CA 1.533 56.618 55.300 -0.358 0.000 1.153 677 M CB 0.188 32.551 32.600 -0.394 0.000 1.356 677 M HN 0.087 nan 8.290 nan 0.000 0.432 678 Y N -0.001 120.315 120.300 0.027 0.000 2.636 678 Y HA 0.402 4.955 4.550 0.005 0.000 0.260 678 Y C 1.106 177.152 175.900 0.244 0.000 1.177 678 Y CA -0.731 57.495 58.100 0.209 0.000 1.209 678 Y CB -0.064 38.424 38.460 0.047 0.000 1.166 678 Y HN 0.059 nan 8.280 nan 0.000 0.531 679 G N -0.203 108.690 108.800 0.155 0.000 2.671 679 G HA2 0.185 4.148 3.960 0.005 0.000 0.275 679 G HA3 0.185 4.148 3.960 0.005 0.000 0.275 679 G C 0.460 175.376 174.900 0.027 0.000 1.368 679 G CA -0.436 44.727 45.100 0.104 0.000 1.044 679 G HN 0.242 nan 8.290 nan 0.000 0.543 680 E N -0.390 119.812 120.200 0.003 0.000 2.086 680 E HA -0.233 4.120 4.350 0.005 0.000 0.200 680 E C 2.181 178.725 176.600 -0.094 0.000 1.012 680 E CA 1.648 58.020 56.400 -0.047 0.000 0.812 680 E CB -0.049 29.637 29.700 -0.022 0.000 0.743 680 E HN 0.529 nan 8.360 nan 0.000 0.453 681 K N 0.664 121.021 120.400 -0.072 0.000 2.089 681 K HA -0.260 4.063 4.320 0.005 0.000 0.210 681 K C 0.425 176.944 176.600 -0.135 0.000 1.048 681 K CA 1.531 57.767 56.287 -0.086 0.000 0.926 681 K CB -0.009 32.455 32.500 -0.060 0.000 0.714 681 K HN 0.111 nan 8.250 nan 0.000 0.448 682 Q N 0.619 120.308 119.800 -0.186 0.000 2.434 682 Q HA -0.223 4.120 4.340 0.005 0.000 0.299 682 Q C -0.783 175.085 176.000 -0.220 0.000 1.286 682 Q CA 0.750 56.391 55.803 -0.270 0.000 0.872 682 Q CB -1.520 26.998 28.738 -0.367 0.000 1.193 682 Q HN 0.501 nan 8.270 nan 0.000 0.466 683 E N 1.052 121.151 120.200 -0.168 0.000 2.415 683 E HA 0.005 4.358 4.350 0.005 0.000 0.263 683 E C -0.258 176.262 176.600 -0.133 0.000 0.995 683 E CA -0.216 56.116 56.400 -0.114 0.000 0.915 683 E CB 0.571 30.232 29.700 -0.066 0.000 0.951 683 E HN 0.128 nan 8.360 nan 0.000 0.449 684 N N 4.108 122.759 118.700 -0.083 0.000 2.439 684 N HA 0.233 4.976 4.740 0.005 0.000 0.243 684 N C -1.073 174.428 175.510 -0.015 0.000 1.088 684 N CA -0.026 52.995 53.050 -0.049 0.000 0.940 684 N CB 1.356 39.846 38.487 0.004 0.000 1.180 684 N HN 0.267 nan 8.380 nan 0.000 0.505 685 V N 3.130 123.048 119.914 0.007 0.000 3.234 685 V HA 0.408 4.531 4.120 0.005 0.000 0.280 685 V C -1.955 174.229 176.094 0.151 0.000 1.580 685 V CA -0.861 61.458 62.300 0.031 0.000 1.032 685 V CB 1.903 33.741 31.823 0.025 0.000 1.203 685 V HN 0.578 nan 8.190 nan 0.000 0.459 686 Y N 3.038 123.433 120.300 0.159 0.000 2.570 686 Y HA 0.882 5.435 4.550 0.005 0.000 0.345 686 Y C -1.611 174.511 175.900 0.369 0.000 1.014 686 Y CA -1.461 56.781 58.100 0.237 0.000 1.063 686 Y CB 1.325 39.999 38.460 0.356 0.000 1.272 686 Y HN 0.529 nan 8.280 nan 0.000 0.477 687 Y N 1.878 122.340 120.300 0.270 0.000 2.387 687 Y HA 0.445 4.998 4.550 0.005 0.000 0.330 687 Y C -1.004 175.219 175.900 0.539 0.000 1.133 687 Y CA -1.354 56.926 58.100 0.301 0.000 1.152 687 Y CB 1.431 39.985 38.460 0.157 0.000 1.215 687 Y HN 0.700 nan 8.280 nan 0.000 0.466 688 Y N 4.249 124.786 120.300 0.396 0.000 2.326 688 Y HA 0.647 5.200 4.550 0.005 0.000 0.329 688 Y C -1.508 174.567 175.900 0.292 0.000 0.973 688 Y CA -1.970 56.328 58.100 0.330 0.000 1.162 688 Y CB 0.647 39.297 38.460 0.318 0.000 1.147 688 Y HN 0.482 nan 8.280 nan 0.000 0.456 689 I N 6.268 126.742 120.570 -0.161 0.000 2.439 689 I HA 0.267 4.440 4.170 0.005 0.000 0.285 689 I C -0.409 175.425 176.117 -0.472 0.000 1.021 689 I CA -0.924 60.266 61.300 -0.183 0.000 1.091 689 I CB 2.146 40.189 38.000 0.072 0.000 1.242 689 I HN 0.635 nan 8.210 nan 0.000 0.439 690 T N 1.563 115.851 114.554 -0.445 0.000 2.794 690 T HA 0.445 4.798 4.350 0.005 0.000 0.296 690 T C 0.250 174.855 174.700 -0.158 0.000 0.949 690 T CA -0.585 61.314 62.100 -0.334 0.000 1.101 690 T CB 1.016 69.838 68.868 -0.077 0.000 0.905 690 T HN 0.699 nan 8.240 nan 0.000 0.516 691 T N 1.163 115.597 114.554 -0.200 0.000 2.940 691 T HA 0.761 5.114 4.350 0.005 0.000 0.288 691 T C -0.494 174.157 174.700 -0.081 0.000 1.045 691 T CA -1.133 60.888 62.100 -0.133 0.000 1.018 691 T CB 0.981 69.730 68.868 -0.198 0.000 1.151 691 T HN 0.574 nan 8.240 nan 0.000 0.529 692 L N 1.890 123.088 121.223 -0.042 0.000 2.341 692 L HA 0.535 4.878 4.340 0.005 0.000 0.267 692 L C 0.812 177.670 176.870 -0.021 0.000 1.009 692 L CA -1.195 53.634 54.840 -0.018 0.000 0.819 692 L CB 1.809 43.877 42.059 0.015 0.000 1.323 692 L HN 0.870 nan 8.230 nan 0.000 0.425 693 N N -0.102 118.594 118.700 -0.006 0.000 2.270 693 N HA -0.014 4.729 4.740 0.005 0.000 0.198 693 N C -0.079 175.421 175.510 -0.017 0.000 1.117 693 N CA -0.123 52.922 53.050 -0.009 0.000 0.845 693 N CB 0.394 38.877 38.487 -0.008 0.000 0.980 693 N HN 0.732 nan 8.380 nan 0.000 0.486 694 E N 0.742 120.930 120.200 -0.020 0.000 2.175 694 E HA 0.207 4.560 4.350 0.005 0.000 0.278 694 E C -0.998 175.514 176.600 -0.146 0.000 0.969 694 E CA -0.665 55.732 56.400 -0.005 0.000 0.796 694 E CB 0.603 30.373 29.700 0.116 0.000 1.104 694 E HN 0.082 nan 8.360 nan 0.000 0.395 695 N N 3.254 121.901 118.700 -0.088 0.000 2.479 695 N HA 0.298 5.041 4.740 0.005 0.000 0.285 695 N C -1.107 174.382 175.510 -0.035 0.000 1.075 695 N CA -0.031 52.926 53.050 -0.155 0.000 0.967 695 N CB 0.855 39.312 38.487 -0.050 0.000 1.137 695 N HN 0.436 nan 8.380 nan 0.000 0.472 696 Y N -2.532 117.814 120.300 0.076 0.000 2.818 696 Y HA 0.315 4.868 4.550 0.005 0.000 0.341 696 Y C -0.453 175.528 175.900 0.135 0.000 1.283 696 Y CA -1.189 56.973 58.100 0.104 0.000 1.075 696 Y CB 0.473 38.993 38.460 0.100 0.000 1.370 696 Y HN 0.443 nan 8.280 nan 0.000 0.448 697 H N 3.148 122.450 119.070 0.386 0.000 3.004 697 H HA 0.248 4.807 4.556 0.005 0.000 0.316 697 H C -0.925 174.595 175.328 0.319 0.000 1.014 697 H CA 0.436 56.634 56.048 0.251 0.000 1.454 697 H CB 0.693 30.541 29.762 0.143 0.000 1.472 697 H HN 0.519 nan 8.280 nan 0.000 0.571 698 M N 8.587 127.999 119.600 -0.313 0.000 2.044 698 M HA 0.245 4.728 4.480 0.005 0.000 0.333 698 M C -2.379 173.638 176.300 -0.471 0.000 1.004 698 M CA -2.384 52.791 55.300 -0.209 0.000 0.954 698 M CB 1.101 33.659 32.600 -0.071 0.000 1.468 698 M HN 0.484 nan 8.290 nan 0.000 0.414 699 P HA 0.374 nan 4.420 nan 0.000 0.279 699 P C -0.674 176.629 177.300 0.005 0.000 1.282 699 P CA -0.458 62.555 63.100 -0.146 0.000 0.788 699 P CB 0.822 32.483 31.700 -0.064 0.000 1.139 700 A N 1.127 123.936 122.820 -0.018 0.000 2.340 700 A HA 0.382 4.705 4.320 0.005 0.000 0.268 700 A C 0.643 178.025 177.584 -0.337 0.000 1.100 700 A CA -0.706 51.282 52.037 -0.082 0.000 0.803 700 A CB -0.283 18.668 19.000 -0.082 0.000 1.043 700 A HN 0.697 nan 8.150 nan 0.000 0.488 701 M N 2.701 121.885 119.600 -0.693 0.000 2.269 701 M HA 0.191 4.674 4.480 0.005 0.000 0.350 701 M C -2.155 173.768 176.300 -0.630 0.000 1.429 701 M CA -1.247 53.240 55.300 -1.355 0.000 1.063 701 M CB 0.146 32.148 32.600 -0.997 0.000 1.841 701 M HN 0.319 nan 8.290 nan 0.000 0.455 702 P HA -0.008 nan 4.420 nan 0.000 0.267 702 P C -1.081 176.082 177.300 -0.227 0.000 1.205 702 P CA 0.056 63.007 63.100 -0.248 0.000 0.765 702 P CB 0.351 31.972 31.700 -0.132 0.000 0.828 703 E N 2.301 122.412 120.200 -0.149 0.000 2.558 703 E HA 0.099 4.451 4.350 0.005 0.000 0.255 703 E C 1.089 177.628 176.600 -0.103 0.000 0.968 703 E CA 0.961 57.291 56.400 -0.116 0.000 0.939 703 E CB -0.450 29.204 29.700 -0.076 0.000 0.921 703 E HN 0.787 nan 8.360 nan 0.000 0.477 704 G N 2.863 111.602 108.800 -0.101 0.000 2.159 704 G HA2 -0.353 3.610 3.960 0.005 0.000 0.256 704 G HA3 -0.353 3.610 3.960 0.005 0.000 0.256 704 G C 0.756 175.598 174.900 -0.097 0.000 0.977 704 G CA 0.482 45.537 45.100 -0.074 0.000 0.652 704 G HN 0.739 nan 8.290 nan 0.000 0.531 705 A N -0.070 122.637 122.820 -0.189 0.000 2.123 705 A HA 0.396 4.719 4.320 0.005 0.000 0.214 705 A C 1.881 179.323 177.584 -0.237 0.000 1.152 705 A CA 1.763 53.611 52.037 -0.315 0.000 0.728 705 A CB -0.230 18.395 19.000 -0.625 0.000 0.814 705 A HN 0.564 nan 8.150 nan 0.000 0.464 706 E N 0.326 120.439 120.200 -0.146 0.000 2.108 706 E HA -0.290 4.063 4.350 0.005 0.000 0.203 706 E C 1.846 178.439 176.600 -0.013 0.000 1.022 706 E CA 1.849 58.207 56.400 -0.069 0.000 0.823 706 E CB -0.235 29.435 29.700 -0.050 0.000 0.744 706 E HN 0.687 nan 8.360 nan 0.000 0.456 707 E N -0.034 120.171 120.200 0.008 0.000 2.072 707 E HA -0.063 4.290 4.350 0.005 0.000 0.191 707 E C 2.137 178.771 176.600 0.057 0.000 0.985 707 E CA 1.385 57.810 56.400 0.042 0.000 0.801 707 E CB -0.664 29.076 29.700 0.066 0.000 0.750 707 E HN 0.274 nan 8.360 nan 0.000 0.452 708 G N 0.618 109.486 108.800 0.113 0.000 2.422 708 G HA2 -0.234 3.729 3.960 0.005 0.000 0.218 708 G HA3 -0.234 3.729 3.960 0.005 0.000 0.218 708 G C 1.665 176.703 174.900 0.231 0.000 1.146 708 G CA 0.955 46.199 45.100 0.240 0.000 0.769 708 G HN 0.318 nan 8.290 nan 0.000 0.547 709 I N 0.269 120.938 120.570 0.164 0.000 2.163 709 I HA -0.188 3.985 4.170 0.005 0.000 0.243 709 I C 3.009 179.255 176.117 0.215 0.000 1.085 709 I CA 1.143 62.581 61.300 0.231 0.000 1.347 709 I CB -0.150 37.933 38.000 0.137 0.000 1.044 709 I HN 0.094 nan 8.210 nan 0.000 0.408 710 R N 0.481 121.060 120.500 0.132 0.000 2.115 710 R HA -0.085 4.258 4.340 0.005 0.000 0.230 710 R C 2.085 178.460 176.300 0.125 0.000 1.111 710 R CA 0.768 56.968 56.100 0.167 0.000 0.976 710 R CB -0.168 30.192 30.300 0.100 0.000 0.870 710 R HN 0.249 nan 8.270 nan 0.000 0.445 711 K N -0.835 119.517 120.400 -0.080 0.000 2.305 711 K HA 0.070 4.393 4.320 0.005 0.000 0.199 711 K C 1.328 177.782 176.600 -0.242 0.000 1.047 711 K CA 1.157 57.225 56.287 -0.364 0.000 0.976 711 K CB 0.754 32.577 32.500 -1.129 0.000 0.765 711 K HN 0.455 nan 8.250 nan 0.000 0.474 712 G N 1.127 109.898 108.800 -0.049 0.000 2.336 712 G HA2 -0.142 3.821 3.960 0.005 0.000 0.194 712 G HA3 -0.142 3.821 3.960 0.005 0.000 0.194 712 G C 0.117 174.990 174.900 -0.045 0.000 0.999 712 G CA -0.055 45.001 45.100 -0.074 0.000 0.669 712 G HN 0.281 nan 8.290 nan 0.000 0.482 713 I N -0.306 120.324 120.570 0.100 0.000 2.897 713 I HA 0.642 4.815 4.170 0.005 0.000 0.299 713 I C -1.738 174.582 176.117 0.338 0.000 1.527 713 I CA -1.439 59.924 61.300 0.105 0.000 0.979 713 I CB 1.946 39.936 38.000 -0.017 0.000 1.360 713 I HN 0.660 nan 8.210 nan 0.000 0.495 714 Y N 2.787 123.216 120.300 0.216 0.000 2.620 714 Y HA 0.466 5.018 4.550 0.005 0.000 0.331 714 Y C -1.779 174.240 175.900 0.197 0.000 1.173 714 Y CA -1.223 57.006 58.100 0.216 0.000 1.076 714 Y CB 0.736 39.301 38.460 0.175 0.000 1.336 714 Y HN 0.490 nan 8.280 nan 0.000 0.459 715 K N 2.344 122.855 120.400 0.184 0.000 2.234 715 K HA 0.425 4.748 4.320 0.005 0.000 0.282 715 K C -0.041 176.574 176.600 0.025 0.000 1.039 715 K CA -0.373 55.836 56.287 -0.131 0.000 0.928 715 K CB 0.920 33.300 32.500 -0.200 0.000 1.039 715 K HN 0.939 nan 8.250 nan 0.000 0.470 716 L N 2.803 123.974 121.223 -0.086 0.000 2.102 716 L HA -0.026 4.317 4.340 0.005 0.000 0.202 716 L C 0.502 177.388 176.870 0.026 0.000 1.076 716 L CA 1.051 55.938 54.840 0.078 0.000 0.761 716 L CB 0.099 42.202 42.059 0.074 0.000 0.921 716 L HN 0.766 nan 8.230 nan 0.000 0.444 717 E N -2.159 118.003 120.200 -0.064 0.000 2.422 717 E HA 0.309 4.662 4.350 0.005 0.000 0.280 717 E C -0.992 175.550 176.600 -0.097 0.000 1.091 717 E CA -0.820 55.549 56.400 -0.052 0.000 0.849 717 E CB 1.421 31.113 29.700 -0.013 0.000 1.353 717 E HN -0.138 nan 8.360 nan 0.000 0.449 718 T N -0.298 114.220 114.554 -0.059 0.000 2.881 718 T HA 0.636 4.989 4.350 0.005 0.000 0.290 718 T C -0.565 174.124 174.700 -0.019 0.000 1.000 718 T CA -0.737 61.331 62.100 -0.052 0.000 0.978 718 T CB 0.569 69.413 68.868 -0.040 0.000 0.997 718 T HN 0.483 nan 8.240 nan 0.000 0.443 719 I N 3.148 123.713 120.570 -0.007 0.000 2.437 719 I HA 0.397 4.569 4.170 0.005 0.000 0.298 719 I C 0.542 176.668 176.117 0.015 0.000 0.984 719 I CA -1.134 60.170 61.300 0.008 0.000 1.214 719 I CB 1.579 39.590 38.000 0.017 0.000 1.365 719 I HN 0.608 nan 8.210 nan 0.000 0.469 720 E N 3.484 123.694 120.200 0.017 0.000 2.392 720 E HA 0.510 4.863 4.350 0.005 0.000 0.259 720 E C 0.102 176.719 176.600 0.028 0.000 1.108 720 E CA -0.131 56.281 56.400 0.020 0.000 0.916 720 E CB 1.257 30.966 29.700 0.016 0.000 0.989 720 E HN 0.864 nan 8.360 nan 0.000 0.432 721 G N -0.045 108.773 108.800 0.030 0.000 1.974 721 G HA2 0.077 4.040 3.960 0.005 0.000 0.303 721 G HA3 0.077 4.040 3.960 0.005 0.000 0.303 721 G C 0.326 175.248 174.900 0.036 0.000 2.080 721 G CA 0.058 45.181 45.100 0.039 0.000 0.896 721 G HN 0.363 nan 8.290 nan 0.000 0.514 722 S N 1.138 116.857 115.700 0.032 0.000 2.515 722 S HA -0.005 4.468 4.470 0.005 0.000 0.231 722 S C 1.613 176.233 174.600 0.033 0.000 0.987 722 S CA 0.704 58.922 58.200 0.029 0.000 0.936 722 S CB 0.055 63.270 63.200 0.024 0.000 0.766 722 S HN 0.433 nan 8.310 nan 0.000 0.528 723 K N 1.170 121.596 120.400 0.043 0.000 2.400 723 K HA 0.335 4.658 4.320 0.005 0.000 0.194 723 K C 0.960 177.587 176.600 0.046 0.000 1.033 723 K CA 0.606 56.922 56.287 0.047 0.000 1.021 723 K CB 0.457 32.996 32.500 0.064 0.000 0.808 723 K HN 0.536 nan 8.250 nan 0.000 0.505 724 G N 0.758 109.585 108.800 0.045 0.000 2.325 724 G HA2 0.166 4.129 3.960 0.005 0.000 0.297 724 G HA3 0.166 4.129 3.960 0.005 0.000 0.297 724 G C -1.958 172.967 174.900 0.042 0.000 1.448 724 G CA -0.720 44.404 45.100 0.040 0.000 0.838 724 G HN -0.120 nan 8.290 nan 0.000 0.579 725 K N -0.243 120.181 120.400 0.039 0.000 2.501 725 K HA 0.749 5.072 4.320 0.005 0.000 0.252 725 K C -0.673 175.957 176.600 0.050 0.000 0.934 725 K CA -0.464 55.850 56.287 0.045 0.000 0.797 725 K CB 1.907 34.432 32.500 0.043 0.000 1.270 725 K HN 1.565 nan 8.250 nan 0.000 0.431 726 V N -0.223 119.728 119.914 0.062 0.000 3.181 726 V HA 0.619 4.742 4.120 0.005 0.000 0.308 726 V C -1.188 174.974 176.094 0.114 0.000 1.214 726 V CA -0.963 61.383 62.300 0.075 0.000 1.053 726 V CB 2.035 33.895 31.823 0.061 0.000 1.069 726 V HN 0.750 nan 8.190 nan 0.000 0.441 727 Q N 1.463 121.352 119.800 0.149 0.000 2.312 727 Q HA 0.791 5.134 4.340 0.005 0.000 0.263 727 Q C -1.501 174.639 176.000 0.233 0.000 0.995 727 Q CA -0.615 55.343 55.803 0.258 0.000 0.853 727 Q CB 2.591 31.490 28.738 0.269 0.000 1.300 727 Q HN 0.708 nan 8.270 nan 0.000 0.448 728 L N 3.069 124.459 121.223 0.279 0.000 2.381 728 L HA 0.548 4.891 4.340 0.005 0.000 0.274 728 L C -1.274 175.762 176.870 0.278 0.000 0.988 728 L CA -0.823 54.145 54.840 0.213 0.000 0.824 728 L CB 1.224 43.360 42.059 0.128 0.000 1.263 728 L HN 0.336 nan 8.230 nan 0.000 0.410 729 L N 2.380 123.746 121.223 0.238 0.000 2.365 729 L HA 0.962 5.305 4.340 0.005 0.000 0.273 729 L C 0.300 177.290 176.870 0.199 0.000 1.000 729 L CA -0.155 54.824 54.840 0.232 0.000 0.819 729 L CB 2.007 44.221 42.059 0.259 0.000 1.284 729 L HN 0.634 nan 8.230 nan 0.000 0.418 730 G N 0.068 108.955 108.800 0.146 0.000 2.690 730 G HA2 0.759 4.722 3.960 0.005 0.000 0.291 730 G HA3 0.759 4.722 3.960 0.005 0.000 0.291 730 G C -1.476 173.485 174.900 0.102 0.000 1.403 730 G CA -0.098 45.084 45.100 0.136 0.000 0.864 730 G HN 0.728 nan 8.290 nan 0.000 0.480 731 S N -1.087 114.700 115.700 0.146 0.000 2.688 731 S HA 0.859 5.332 4.470 0.005 0.000 0.275 731 S C 0.884 175.559 174.600 0.124 0.000 1.175 731 S CA 0.742 59.018 58.200 0.128 0.000 0.818 731 S CB 1.137 64.492 63.200 0.259 0.000 1.157 731 S HN 2.703 nan 8.310 nan 0.000 0.482 732 G N 1.960 110.829 108.800 0.114 0.000 2.602 732 G HA2 -0.346 3.617 3.960 0.005 0.000 0.306 732 G HA3 -0.346 3.617 3.960 0.005 0.000 0.306 732 G C 1.113 176.058 174.900 0.075 0.000 1.301 732 G CA 1.795 46.971 45.100 0.127 0.000 0.974 732 G HN 2.216 nan 8.290 nan 0.000 0.547 733 S N -0.510 115.263 115.700 0.121 0.000 2.481 733 S HA 0.111 4.584 4.470 0.005 0.000 0.231 733 S C 2.153 176.826 174.600 0.121 0.000 0.996 733 S CA 1.455 59.750 58.200 0.159 0.000 0.942 733 S CB 0.059 63.376 63.200 0.195 0.000 0.768 733 S HN 0.555 nan 8.310 nan 0.000 0.520 734 I N 1.199 121.836 120.570 0.111 0.000 3.059 734 I HA 0.112 4.285 4.170 0.005 0.000 0.270 734 I C 2.128 178.310 176.117 0.108 0.000 1.238 734 I CA 0.305 61.704 61.300 0.165 0.000 1.478 734 I CB -1.255 36.799 38.000 0.091 0.000 1.097 734 I HN 0.331 nan 8.210 nan 0.000 0.455 735 L N 2.570 123.789 121.223 -0.006 0.000 2.013 735 L HA -0.231 4.112 4.340 0.005 0.000 0.212 735 L C 2.846 179.665 176.870 -0.086 0.000 1.073 735 L CA 1.968 56.773 54.840 -0.059 0.000 0.753 735 L CB -0.642 41.310 42.059 -0.178 0.000 0.890 735 L HN 0.317 nan 8.230 nan 0.000 0.432 736 R N -1.982 118.384 120.500 -0.223 0.000 2.159 736 R HA -0.196 4.147 4.340 0.005 0.000 0.237 736 R C 1.814 177.951 176.300 -0.272 0.000 1.131 736 R CA 1.983 57.911 56.100 -0.287 0.000 0.982 736 R CB -1.117 28.851 30.300 -0.554 0.000 0.868 736 R HN 0.502 nan 8.270 nan 0.000 0.453 737 H N -0.084 118.952 119.070 -0.057 0.000 2.512 737 H HA 0.116 4.675 4.556 0.005 0.000 0.279 737 H C 1.919 177.243 175.328 -0.006 0.000 0.999 737 H CA 0.928 56.964 56.048 -0.019 0.000 1.283 737 H CB 0.436 30.196 29.762 -0.003 0.000 1.421 737 H HN -0.059 nan 8.280 nan 0.000 0.554 738 V N 0.647 120.615 119.914 0.091 0.000 2.548 738 V HA -0.167 3.956 4.120 0.005 0.000 0.249 738 V C 2.115 178.236 176.094 0.046 0.000 1.055 738 V CA 1.543 63.885 62.300 0.069 0.000 1.065 738 V CB -0.204 31.663 31.823 0.073 0.000 0.681 738 V HN 0.379 nan 8.190 nan 0.000 0.462 739 R N -0.093 120.423 120.500 0.025 0.000 2.090 739 R HA -0.148 4.195 4.340 0.005 0.000 0.228 739 R C 2.303 178.615 176.300 0.019 0.000 1.110 739 R CA 1.363 57.478 56.100 0.025 0.000 0.973 739 R CB -0.238 30.081 30.300 0.031 0.000 0.869 739 R HN 0.589 nan 8.270 nan 0.000 0.440 740 E N 0.772 120.975 120.200 0.005 0.000 2.204 740 E HA -0.176 4.177 4.350 0.005 0.000 0.195 740 E C 1.717 178.335 176.600 0.029 0.000 0.990 740 E CA 1.054 57.460 56.400 0.011 0.000 0.821 740 E CB 0.084 29.787 29.700 0.005 0.000 0.750 740 E HN 0.367 nan 8.360 nan 0.000 0.477 741 A N 1.114 123.951 122.820 0.029 0.000 1.855 741 A HA 0.074 4.397 4.320 0.005 0.000 0.213 741 A C 2.435 180.047 177.584 0.046 0.000 1.195 741 A CA 1.272 53.322 52.037 0.021 0.000 0.610 741 A CB -0.828 18.179 19.000 0.012 0.000 0.837 741 A HN 0.373 nan 8.150 nan 0.000 0.444 742 A N -0.072 122.776 122.820 0.045 0.000 1.903 742 A HA -0.263 4.060 4.320 0.005 0.000 0.219 742 A C 1.949 179.568 177.584 0.058 0.000 1.191 742 A CA 2.057 54.123 52.037 0.049 0.000 0.638 742 A CB -0.577 18.445 19.000 0.036 0.000 0.823 742 A HN 0.497 nan 8.150 nan 0.000 0.451 743 E N -0.363 119.868 120.200 0.051 0.000 2.051 743 E HA -0.153 4.200 4.350 0.005 0.000 0.192 743 E C 2.042 178.689 176.600 0.079 0.000 0.991 743 E CA 1.191 57.623 56.400 0.053 0.000 0.799 743 E CB -0.416 29.308 29.700 0.039 0.000 0.748 743 E HN 0.746 nan 8.360 nan 0.000 0.449 744 I N 0.908 121.537 120.570 0.098 0.000 2.208 744 I HA -0.288 3.884 4.170 0.005 0.000 0.245 744 I C 2.441 178.700 176.117 0.237 0.000 1.097 744 I CA 0.907 62.301 61.300 0.157 0.000 1.363 744 I CB -0.222 37.879 38.000 0.169 0.000 1.051 744 I HN 0.050 nan 8.210 nan 0.000 0.413 745 L N 0.177 121.531 121.223 0.218 0.000 2.141 745 L HA -0.182 4.161 4.340 0.005 0.000 0.209 745 L C 2.765 179.766 176.870 0.218 0.000 1.094 745 L CA 1.118 56.120 54.840 0.271 0.000 0.763 745 L CB -0.678 41.461 42.059 0.135 0.000 0.908 745 L HN 0.241 nan 8.230 nan 0.000 0.437 746 A N 0.180 123.081 122.820 0.134 0.000 1.841 746 A HA -0.194 4.129 4.320 0.005 0.000 0.214 746 A C 2.276 179.905 177.584 0.076 0.000 1.195 746 A CA 1.660 53.752 52.037 0.092 0.000 0.611 746 A CB -0.307 18.730 19.000 0.061 0.000 0.835 746 A HN 0.170 nan 8.150 nan 0.000 0.443 747 K N 0.073 120.509 120.400 0.061 0.000 2.103 747 K HA -0.018 4.305 4.320 0.005 0.000 0.204 747 K C 1.205 177.785 176.600 -0.034 0.000 1.052 747 K CA 1.591 57.890 56.287 0.020 0.000 0.945 747 K CB -0.210 32.302 32.500 0.020 0.000 0.722 747 K HN 0.479 nan 8.250 nan 0.000 0.443 748 D N -1.842 118.517 120.400 -0.067 0.000 2.301 748 D HA 0.012 4.655 4.640 0.005 0.000 0.206 748 D C 0.423 176.372 176.300 -0.585 0.000 0.979 748 D CA 0.843 54.624 54.000 -0.365 0.000 0.874 748 D CB 0.270 40.764 40.800 -0.511 0.000 0.968 748 D HN 0.256 nan 8.370 nan 0.000 0.510 749 Y N -1.048 119.280 120.300 0.046 0.000 2.672 749 Y HA 0.363 4.916 4.550 0.005 0.000 0.252 749 Y C 1.414 177.333 175.900 0.032 0.000 1.132 749 Y CA -0.425 57.697 58.100 0.038 0.000 1.228 749 Y CB 0.682 39.171 38.460 0.049 0.000 1.310 749 Y HN -0.082 nan 8.280 nan 0.000 0.549 750 G N 1.446 110.329 108.800 0.139 0.000 2.341 750 G HA2 -0.263 3.700 3.960 0.005 0.000 0.292 750 G HA3 -0.263 3.700 3.960 0.005 0.000 0.292 750 G C -0.368 174.594 174.900 0.102 0.000 1.021 750 G CA 0.510 45.667 45.100 0.095 0.000 0.905 750 G HN 0.180 nan 8.290 nan 0.000 0.508 751 V N 0.432 120.422 119.914 0.127 0.000 2.347 751 V HA 0.717 4.840 4.120 0.005 0.000 0.280 751 V C 1.152 177.291 176.094 0.075 0.000 1.021 751 V CA -0.075 62.281 62.300 0.093 0.000 0.847 751 V CB 1.370 33.246 31.823 0.088 0.000 0.990 751 V HN 0.636 nan 8.190 nan 0.000 0.444 752 G N 3.607 112.441 108.800 0.057 0.000 2.562 752 G HA2 0.664 4.627 3.960 0.005 0.000 0.275 752 G HA3 0.664 4.627 3.960 0.005 0.000 0.275 752 G C -0.136 174.791 174.900 0.046 0.000 1.196 752 G CA 0.213 45.340 45.100 0.046 0.000 0.908 752 G HN 0.971 nan 8.290 nan 0.000 0.524 753 S N -0.914 114.808 115.700 0.036 0.000 2.656 753 S HA 0.584 5.057 4.470 0.005 0.000 0.273 753 S C -1.923 172.679 174.600 0.005 0.000 1.168 753 S CA -0.980 57.244 58.200 0.039 0.000 0.817 753 S CB 2.497 65.725 63.200 0.047 0.000 1.146 753 S HN 0.393 nan 8.310 nan 0.000 0.475 754 D N 1.019 121.422 120.400 0.004 0.000 2.408 754 D HA 0.531 5.174 4.640 0.005 0.000 0.243 754 D C -0.920 175.225 176.300 -0.258 0.000 1.075 754 D CA -0.197 53.708 54.000 -0.159 0.000 0.832 754 D CB 2.004 42.754 40.800 -0.084 0.000 1.162 754 D HN 0.424 nan 8.370 nan 0.000 0.515 755 V N 3.643 123.353 119.914 -0.339 0.000 2.394 755 V HA 0.294 4.417 4.120 0.005 0.000 0.282 755 V C -0.693 175.136 176.094 -0.442 0.000 1.031 755 V CA -0.546 61.620 62.300 -0.223 0.000 0.881 755 V CB 0.401 32.174 31.823 -0.084 0.000 0.982 755 V HN 0.353 nan 8.190 nan 0.000 0.451 756 Y N 2.087 122.360 120.300 -0.045 0.000 2.393 756 Y HA 0.522 5.075 4.550 0.005 0.000 0.341 756 Y C 0.550 176.329 175.900 -0.202 0.000 0.988 756 Y CA -0.537 57.482 58.100 -0.135 0.000 1.078 756 Y CB 2.075 40.470 38.460 -0.108 0.000 1.203 756 Y HN 0.537 nan 8.280 nan 0.000 0.453 757 S N 2.372 117.899 115.700 -0.289 0.000 2.438 757 S HA 0.559 5.032 4.470 0.005 0.000 0.293 757 S C -1.018 173.417 174.600 -0.275 0.000 1.141 757 S CA -0.604 57.418 58.200 -0.296 0.000 1.080 757 S CB 0.144 63.067 63.200 -0.461 0.000 0.978 757 S HN 0.445 nan 8.310 nan 0.000 0.479 758 V N 6.323 126.114 119.914 -0.204 0.000 2.277 758 V HA 0.221 4.344 4.120 0.005 0.000 0.269 758 V C 1.480 177.460 176.094 -0.189 0.000 1.036 758 V CA -0.275 61.818 62.300 -0.345 0.000 0.821 758 V CB 0.222 31.540 31.823 -0.843 0.000 1.052 758 V HN 1.068 nan 8.190 nan 0.000 0.462 759 T N -0.290 114.238 114.554 -0.043 0.000 2.985 759 T HA -0.009 4.344 4.350 0.005 0.000 0.266 759 T C 0.894 175.632 174.700 0.063 0.000 1.076 759 T CA 0.891 63.061 62.100 0.116 0.000 1.135 759 T CB 0.198 69.248 68.868 0.302 0.000 0.890 759 T HN 0.607 nan 8.240 nan 0.000 0.480 760 S N -0.418 115.196 115.700 -0.142 0.000 2.423 760 S HA 0.436 4.908 4.470 0.005 0.000 0.213 760 S C -0.201 174.207 174.600 -0.321 0.000 1.131 760 S CA -0.835 57.203 58.200 -0.270 0.000 1.155 760 S CB -0.355 62.496 63.200 -0.582 0.000 1.202 760 S HN 0.146 nan 8.310 nan 0.000 0.441 761 F N 2.473 122.191 119.950 -0.386 0.000 2.216 761 F HA -0.030 4.500 4.527 0.005 0.000 0.300 761 F C 2.630 178.227 175.800 -0.338 0.000 1.085 761 F CA 1.800 59.512 58.000 -0.480 0.000 1.326 761 F CB -0.408 37.984 39.000 -1.013 0.000 1.027 761 F HN 0.502 nan 8.300 nan 0.000 0.497 762 T N -0.780 113.724 114.554 -0.085 0.000 2.674 762 T HA -0.156 4.197 4.350 0.005 0.000 0.265 762 T C 1.900 176.532 174.700 -0.112 0.000 1.039 762 T CA 1.401 63.476 62.100 -0.042 0.000 1.150 762 T CB -0.175 68.712 68.868 0.032 0.000 0.864 762 T HN 0.106 nan 8.240 nan 0.000 0.427 763 E N 1.137 121.217 120.200 -0.200 0.000 2.077 763 E HA -0.040 4.313 4.350 0.005 0.000 0.193 763 E C 2.332 178.825 176.600 -0.179 0.000 0.989 763 E CA 0.767 57.037 56.400 -0.215 0.000 0.800 763 E CB -0.500 29.018 29.700 -0.303 0.000 0.746 763 E HN 0.470 nan 8.360 nan 0.000 0.452 764 L N 0.342 121.464 121.223 -0.169 0.000 2.079 764 L HA -0.190 4.153 4.340 0.005 0.000 0.210 764 L C 2.527 179.296 176.870 -0.169 0.000 1.081 764 L CA 1.212 55.969 54.840 -0.139 0.000 0.752 764 L CB -0.533 41.458 42.059 -0.114 0.000 0.896 764 L HN 0.065 nan 8.230 nan 0.000 0.433 765 A N 0.185 122.943 122.820 -0.104 0.000 1.873 765 A HA -0.181 4.141 4.320 0.005 0.000 0.215 765 A C 2.384 179.856 177.584 -0.187 0.000 1.186 765 A CA 1.354 53.346 52.037 -0.075 0.000 0.616 765 A CB -0.437 18.594 19.000 0.052 0.000 0.823 765 A HN 0.297 nan 8.150 nan 0.000 0.442 766 R N -0.544 119.877 120.500 -0.133 0.000 2.096 766 R HA -0.158 4.185 4.340 0.005 0.000 0.235 766 R C 1.985 178.184 176.300 -0.169 0.000 1.127 766 R CA 1.628 57.657 56.100 -0.120 0.000 0.968 766 R CB -0.406 29.836 30.300 -0.097 0.000 0.861 766 R HN 0.751 nan 8.270 nan 0.000 0.440 767 D N -0.408 119.870 120.400 -0.204 0.000 2.097 767 D HA -0.100 4.543 4.640 0.005 0.000 0.197 767 D C 2.006 178.116 176.300 -0.316 0.000 0.984 767 D CA 1.560 55.443 54.000 -0.197 0.000 0.826 767 D CB -0.296 40.412 40.800 -0.153 0.000 0.973 767 D HN 0.185 nan 8.370 nan 0.000 0.460 768 G N -0.209 108.219 108.800 -0.620 0.000 2.476 768 G HA2 -0.366 3.597 3.960 0.005 0.000 0.218 768 G HA3 -0.366 3.597 3.960 0.005 0.000 0.218 768 G C 1.653 176.052 174.900 -0.835 0.000 1.164 768 G CA 1.075 45.374 45.100 -1.336 0.000 0.768 768 G HN 0.376 nan 8.290 nan 0.000 0.560 769 Q N 0.005 119.510 119.800 -0.492 0.000 2.124 769 Q HA -0.102 4.241 4.340 0.005 0.000 0.202 769 Q C 2.238 178.235 176.000 -0.005 0.000 0.977 769 Q CA 1.413 57.187 55.803 -0.047 0.000 0.850 769 Q CB -0.065 28.683 28.738 0.017 0.000 0.901 769 Q HN 0.398 nan 8.270 nan 0.000 0.429 770 D N -0.280 120.090 120.400 -0.051 0.000 2.144 770 D HA -0.117 4.526 4.640 0.005 0.000 0.200 770 D C 1.827 178.172 176.300 0.075 0.000 0.978 770 D CA 0.779 54.789 54.000 0.017 0.000 0.833 770 D CB -0.322 40.466 40.800 -0.020 0.000 0.961 770 D HN 0.276 nan 8.370 nan 0.000 0.470 771 C N 0.923 120.235 119.300 0.020 0.000 2.453 771 C HA -0.030 4.433 4.460 0.005 0.000 0.277 771 C C 2.522 177.626 174.990 0.189 0.000 1.262 771 C CA 0.283 59.349 59.018 0.080 0.000 1.718 771 C CB -0.489 27.259 27.740 0.012 0.000 2.031 771 C HN 0.368 nan 8.230 nan 0.000 0.480 772 E N 0.321 120.622 120.200 0.168 0.000 2.152 772 E HA -0.162 4.191 4.350 0.005 0.000 0.192 772 E C 2.357 179.057 176.600 0.167 0.000 0.983 772 E CA 0.533 57.046 56.400 0.188 0.000 0.818 772 E CB -0.324 29.505 29.700 0.216 0.000 0.758 772 E HN 0.579 nan 8.360 nan 0.000 0.467 773 R N -0.054 120.542 120.500 0.160 0.000 2.073 773 R HA -0.176 4.167 4.340 0.005 0.000 0.234 773 R C 2.081 178.478 176.300 0.161 0.000 1.134 773 R CA 1.571 57.748 56.100 0.128 0.000 0.952 773 R CB -0.352 30.017 30.300 0.116 0.000 0.850 773 R HN 0.182 nan 8.270 nan 0.000 0.433 774 W N 1.952 123.307 121.300 0.091 0.000 2.379 774 W HA -0.137 4.526 4.660 0.005 0.000 0.307 774 W C 1.735 178.393 176.519 0.232 0.000 1.200 774 W CA 1.630 59.085 57.345 0.184 0.000 1.297 774 W CB -0.253 29.269 29.460 0.103 0.000 1.140 774 W HN 0.159 nan 8.180 nan 0.000 0.507 775 N N 0.196 119.180 118.700 0.472 0.000 2.104 775 N HA -0.256 4.487 4.740 0.005 0.000 0.190 775 N C 1.779 177.331 175.510 0.071 0.000 1.024 775 N CA 2.093 55.340 53.050 0.328 0.000 0.853 775 N CB -1.151 37.515 38.487 0.298 0.000 1.008 775 N HN 0.363 nan 8.380 nan 0.000 0.424 776 M N 0.086 119.710 119.600 0.040 0.000 2.229 776 M HA -0.048 4.435 4.480 0.005 0.000 0.264 776 M C 1.073 177.289 176.300 -0.141 0.000 1.063 776 M CA 1.358 56.640 55.300 -0.030 0.000 1.114 776 M CB 0.081 32.678 32.600 -0.006 0.000 1.387 776 M HN 0.024 nan 8.290 nan 0.000 0.420 777 L N -1.025 120.043 121.223 -0.259 0.000 2.567 777 L HA 0.034 4.377 4.340 0.005 0.000 0.225 777 L C 0.187 176.539 176.870 -0.864 0.000 1.119 777 L CA 0.204 54.747 54.840 -0.496 0.000 0.871 777 L CB -0.178 41.565 42.059 -0.525 0.000 1.036 777 L HN 0.359 nan 8.230 nan 0.000 0.459 778 H N -1.058 117.708 119.070 -0.506 0.000 2.535 778 H HA 0.139 4.698 4.556 0.005 0.000 0.232 778 H C -1.563 173.598 175.328 -0.278 0.000 1.405 778 H CA -1.272 54.434 56.048 -0.572 0.000 1.224 778 H CB 0.305 29.247 29.762 -1.367 0.000 1.763 778 H HN -0.065 nan 8.280 nan 0.000 0.529 779 P HA -0.235 nan 4.420 nan 0.000 0.217 779 P C 1.074 178.379 177.300 0.009 0.000 1.151 779 P CA 1.147 64.226 63.100 -0.036 0.000 0.849 779 P CB 0.654 32.322 31.700 -0.053 0.000 0.787 780 L N -0.878 120.350 121.223 0.008 0.000 2.446 780 L HA 0.187 4.530 4.340 0.005 0.000 0.219 780 L C 1.410 178.324 176.870 0.074 0.000 1.116 780 L CA 0.667 55.527 54.840 0.034 0.000 0.844 780 L CB -1.302 40.770 42.059 0.021 0.000 0.970 780 L HN 0.074 nan 8.230 nan 0.000 0.457 781 E N -0.299 119.967 120.200 0.110 0.000 2.345 781 E HA 0.104 4.457 4.350 0.005 0.000 0.259 781 E C 0.027 176.776 176.600 0.248 0.000 1.117 781 E CA -0.270 56.250 56.400 0.199 0.000 0.913 781 E CB 0.582 30.459 29.700 0.295 0.000 1.057 781 E HN -0.042 nan 8.360 nan 0.000 0.432 782 T N 3.875 118.564 114.554 0.225 0.000 2.761 782 T HA 0.109 4.461 4.350 0.005 0.000 0.287 782 T C -2.130 172.682 174.700 0.187 0.000 0.931 782 T CA -1.109 61.083 62.100 0.153 0.000 1.164 782 T CB -0.001 68.908 68.868 0.069 0.000 0.876 782 T HN 0.232 nan 8.240 nan 0.000 0.534 783 P HA 0.053 nan 4.420 nan 0.000 0.269 783 P C -0.069 177.255 177.300 0.041 0.000 1.200 783 P CA -0.003 63.207 63.100 0.185 0.000 0.779 783 P CB 0.491 32.267 31.700 0.127 0.000 0.841 784 R N 0.995 121.517 120.500 0.036 0.000 2.288 784 R HA 0.390 4.733 4.340 0.005 0.000 0.326 784 R C -1.048 175.245 176.300 -0.012 0.000 0.959 784 R CA -0.827 55.229 56.100 -0.074 0.000 0.834 784 R CB 1.042 31.243 30.300 -0.166 0.000 1.157 784 R HN 0.221 nan 8.270 nan 0.000 0.470 785 V N 5.932 125.829 119.914 -0.028 0.000 2.461 785 V HA 0.178 4.300 4.120 0.005 0.000 0.275 785 V C -1.954 174.126 176.094 -0.023 0.000 1.047 785 V CA -2.018 60.274 62.300 -0.012 0.000 0.955 785 V CB 1.132 32.939 31.823 -0.027 0.000 0.988 785 V HN 0.595 nan 8.190 nan 0.000 0.471 786 P HA -0.051 nan 4.420 nan 0.000 0.261 786 P C 0.466 177.763 177.300 -0.006 0.000 1.183 786 P CA 0.360 63.441 63.100 -0.033 0.000 0.761 786 P CB 0.227 31.909 31.700 -0.030 0.000 0.785 787 Y N 4.573 124.816 120.300 -0.094 0.000 2.096 787 Y HA -0.294 4.258 4.550 0.005 0.000 0.276 787 Y C 2.062 177.923 175.900 -0.065 0.000 1.209 787 Y CA 1.738 59.796 58.100 -0.069 0.000 1.137 787 Y CB -0.578 37.841 38.460 -0.069 0.000 0.956 787 Y HN 0.344 nan 8.280 nan 0.000 0.506 788 I N -0.326 120.286 120.570 0.070 0.000 2.423 788 I HA -0.309 3.864 4.170 0.005 0.000 0.254 788 I C 2.133 178.187 176.117 -0.105 0.000 1.151 788 I CA 1.550 62.835 61.300 -0.025 0.000 1.421 788 I CB -0.264 37.715 38.000 -0.035 0.000 1.079 788 I HN 0.352 nan 8.210 nan 0.000 0.431 789 A N -0.706 122.067 122.820 -0.079 0.000 2.169 789 A HA -0.058 4.265 4.320 0.005 0.000 0.212 789 A C 2.004 179.521 177.584 -0.111 0.000 1.153 789 A CA 0.528 52.515 52.037 -0.084 0.000 0.756 789 A CB -0.241 18.740 19.000 -0.032 0.000 0.813 789 A HN 0.576 nan 8.150 nan 0.000 0.471 790 Q N -0.932 118.764 119.800 -0.173 0.000 2.360 790 Q HA 0.142 4.485 4.340 0.005 0.000 0.202 790 Q C 0.993 176.869 176.000 -0.208 0.000 0.915 790 Q CA 0.406 56.086 55.803 -0.206 0.000 0.943 790 Q CB 0.543 29.094 28.738 -0.313 0.000 1.064 790 Q HN 0.484 nan 8.270 nan 0.000 0.511 791 V N -0.686 119.119 119.914 -0.181 0.000 3.359 791 V HA 0.165 4.288 4.120 0.005 0.000 0.245 791 V C 0.616 176.703 176.094 -0.012 0.000 1.247 791 V CA 0.439 62.695 62.300 -0.074 0.000 1.145 791 V CB 0.485 32.278 31.823 -0.050 0.000 0.906 791 V HN 0.239 nan 8.190 nan 0.000 0.464 792 M N 1.601 121.113 119.600 -0.146 0.000 2.409 792 M HA 0.376 4.859 4.480 0.005 0.000 0.329 792 M C 0.111 176.365 176.300 -0.076 0.000 1.180 792 M CA -0.153 55.025 55.300 -0.203 0.000 1.053 792 M CB 1.439 33.818 32.600 -0.368 0.000 1.586 792 M HN 0.455 nan 8.290 nan 0.000 0.461 793 N N -0.178 118.510 118.700 -0.020 0.000 2.776 793 N HA 0.294 5.037 4.740 0.005 0.000 0.319 793 N C -0.271 175.227 175.510 -0.021 0.000 1.316 793 N CA -0.700 52.350 53.050 -0.000 0.000 0.890 793 N CB 0.383 38.896 38.487 0.042 0.000 1.165 793 N HN 0.624 nan 8.380 nan 0.000 0.596 794 D N -1.773 118.624 120.400 -0.005 0.000 2.349 794 D HA 0.149 4.792 4.640 0.005 0.000 0.214 794 D C 0.112 176.416 176.300 0.007 0.000 1.063 794 D CA -0.415 53.579 54.000 -0.010 0.000 0.847 794 D CB -0.444 40.351 40.800 -0.008 0.000 0.933 794 D HN 0.623 nan 8.370 nan 0.000 0.513 795 A N 2.249 125.083 122.820 0.024 0.000 2.448 795 A HA 0.331 4.654 4.320 0.005 0.000 0.239 795 A C -2.110 175.498 177.584 0.040 0.000 1.080 795 A CA -0.882 51.177 52.037 0.037 0.000 0.779 795 A CB -0.302 18.730 19.000 0.054 0.000 1.026 795 A HN 0.104 nan 8.150 nan 0.000 0.499 796 P HA 0.292 nan 4.420 nan 0.000 0.268 796 P C -0.509 176.840 177.300 0.082 0.000 1.204 796 P CA 0.446 63.580 63.100 0.056 0.000 0.768 796 P CB 0.863 32.589 31.700 0.043 0.000 0.842 797 A N 3.353 126.246 122.820 0.122 0.000 2.354 797 A HA 0.749 5.072 4.320 0.005 0.000 0.321 797 A C -0.851 176.846 177.584 0.188 0.000 1.125 797 A CA -0.687 51.456 52.037 0.177 0.000 0.799 797 A CB 1.517 20.638 19.000 0.202 0.000 1.293 797 A HN 0.352 nan 8.150 nan 0.000 0.452 798 V N -0.200 119.809 119.914 0.159 0.000 2.888 798 V HA 0.807 4.930 4.120 0.005 0.000 0.309 798 V C -0.090 176.066 176.094 0.104 0.000 1.114 798 V CA -0.088 62.249 62.300 0.062 0.000 0.940 798 V CB 1.760 33.606 31.823 0.038 0.000 1.021 798 V HN 1.586 nan 8.190 nan 0.000 0.426 799 A N 2.325 125.153 122.820 0.013 0.000 2.515 799 A HA 0.942 5.265 4.320 0.005 0.000 0.298 799 A C -0.763 176.827 177.584 0.011 0.000 1.059 799 A CA -0.555 51.541 52.037 0.097 0.000 0.698 799 A CB 2.212 21.342 19.000 0.216 0.000 1.289 799 A HN 0.930 nan 8.150 nan 0.000 0.404 800 S N 0.225 115.968 115.700 0.072 0.000 2.575 800 S HA 0.827 5.299 4.470 0.005 0.000 0.278 800 S C -0.395 174.264 174.600 0.099 0.000 1.139 800 S CA 0.321 58.544 58.200 0.038 0.000 0.954 800 S CB 1.401 64.618 63.200 0.029 0.000 1.054 800 S HN 1.948 nan 8.310 nan 0.000 0.483 801 T N 0.545 115.153 114.554 0.090 0.000 2.838 801 T HA 0.500 4.853 4.350 0.005 0.000 0.292 801 T C -0.258 174.470 174.700 0.048 0.000 1.113 801 T CA -0.494 61.714 62.100 0.182 0.000 1.008 801 T CB 1.558 70.674 68.868 0.413 0.000 1.259 801 T HN 0.351 nan 8.240 nan 0.000 0.520 802 D N -0.671 119.711 120.400 -0.031 0.000 2.319 802 D HA 0.240 4.883 4.640 0.005 0.000 0.230 802 D C -0.820 175.080 176.300 -0.668 0.000 1.094 802 D CA 0.014 53.814 54.000 -0.333 0.000 0.856 802 D CB -0.312 40.277 40.800 -0.352 0.000 0.915 802 D HN 0.460 nan 8.370 nan 0.000 0.517 803 Y N -0.057 120.193 120.300 -0.083 0.000 2.587 803 Y HA 0.322 4.875 4.550 0.005 0.000 0.337 803 Y C 0.855 176.716 175.900 -0.064 0.000 1.065 803 Y CA -1.582 56.453 58.100 -0.108 0.000 1.126 803 Y CB 0.812 39.151 38.460 -0.202 0.000 1.279 803 Y HN -0.166 nan 8.280 nan 0.000 0.489 804 M N 0.363 120.016 119.600 0.088 0.000 2.247 804 M HA 0.119 4.601 4.480 0.005 0.000 0.318 804 M C 0.422 176.748 176.300 0.043 0.000 1.054 804 M CA 0.176 55.493 55.300 0.028 0.000 1.117 804 M CB 0.514 33.127 32.600 0.022 0.000 1.515 804 M HN 0.737 nan 8.290 nan 0.000 0.442 805 K N 0.965 121.348 120.400 -0.030 0.000 2.127 805 K HA -0.196 4.127 4.320 0.005 0.000 0.208 805 K C 1.735 178.280 176.600 -0.092 0.000 1.047 805 K CA 1.631 57.868 56.287 -0.083 0.000 0.927 805 K CB -0.493 31.944 32.500 -0.104 0.000 0.716 805 K HN 0.641 nan 8.250 nan 0.000 0.450 806 L N 0.508 121.711 121.223 -0.033 0.000 2.187 806 L HA -0.148 4.195 4.340 0.005 0.000 0.213 806 L C 1.914 178.771 176.870 -0.022 0.000 1.100 806 L CA 1.398 56.222 54.840 -0.027 0.000 0.765 806 L CB -0.469 41.595 42.059 0.008 0.000 0.904 806 L HN 0.095 nan 8.230 nan 0.000 0.437 807 F N 0.253 120.114 119.950 -0.148 0.000 2.126 807 F HA -0.181 4.349 4.527 0.005 0.000 0.299 807 F C 2.201 177.703 175.800 -0.497 0.000 1.096 807 F CA 1.513 59.390 58.000 -0.204 0.000 1.255 807 F CB -0.621 38.303 39.000 -0.127 0.000 0.997 807 F HN 0.144 nan 8.300 nan 0.000 0.479 808 A N -0.684 121.661 122.820 -0.791 0.000 2.030 808 A HA 0.012 4.335 4.320 0.005 0.000 0.215 808 A C 2.089 179.320 177.584 -0.588 0.000 1.164 808 A CA 0.789 51.965 52.037 -1.436 0.000 0.697 808 A CB -0.590 17.794 19.000 -1.027 0.000 0.827 808 A HN 0.447 nan 8.150 nan 0.000 0.457 809 E N 0.337 120.355 120.200 -0.304 0.000 2.204 809 E HA -0.236 4.117 4.350 0.005 0.000 0.194 809 E C 2.098 178.698 176.600 -0.000 0.000 0.989 809 E CA 1.119 57.465 56.400 -0.090 0.000 0.824 809 E CB -0.201 29.436 29.700 -0.105 0.000 0.756 809 E HN 0.920 nan 8.360 nan 0.000 0.477 810 Q N 0.689 120.457 119.800 -0.054 0.000 2.376 810 Q HA -0.142 4.201 4.340 0.005 0.000 0.211 810 Q C 1.815 177.886 176.000 0.118 0.000 0.986 810 Q CA 1.715 57.531 55.803 0.022 0.000 0.886 810 Q CB -0.434 28.309 28.738 0.008 0.000 0.927 810 Q HN 0.306 nan 8.270 nan 0.000 0.457 811 V N -2.989 117.017 119.914 0.153 0.000 3.542 811 V HA 0.233 4.356 4.120 0.005 0.000 0.296 811 V C 1.960 178.081 176.094 0.044 0.000 1.364 811 V CA 0.316 62.762 62.300 0.242 0.000 1.118 811 V CB -0.104 31.872 31.823 0.256 0.000 0.972 811 V HN 0.112 nan 8.190 nan 0.000 0.430 812 R N 2.318 122.833 120.500 0.025 0.000 2.136 812 R HA -0.177 4.165 4.340 0.005 0.000 0.242 812 R C 2.097 178.251 176.300 -0.243 0.000 1.131 812 R CA 2.959 59.038 56.100 -0.035 0.000 0.937 812 R CB -1.625 28.718 30.300 0.072 0.000 0.863 812 R HN 0.545 nan 8.270 nan 0.000 0.435 813 T N -0.092 114.198 114.554 -0.440 0.000 2.737 813 T HA -0.193 4.160 4.350 0.005 0.000 0.269 813 T C 1.278 175.592 174.700 -0.644 0.000 1.040 813 T CA 1.973 63.691 62.100 -0.637 0.000 1.142 813 T CB -0.417 67.870 68.868 -0.968 0.000 0.861 813 T HN 0.378 nan 8.240 nan 0.000 0.456 814 Y N 0.369 120.629 120.300 -0.066 0.000 2.523 814 Y HA 0.357 4.910 4.550 0.005 0.000 0.279 814 Y C 1.019 176.840 175.900 -0.132 0.000 1.139 814 Y CA -0.939 57.114 58.100 -0.078 0.000 1.296 814 Y CB -0.520 37.904 38.460 -0.060 0.000 1.045 814 Y HN -0.048 nan 8.280 nan 0.000 0.538 815 V N 5.419 125.241 119.914 -0.153 0.000 2.470 815 V HA 0.048 4.171 4.120 0.005 0.000 0.276 815 V C -1.292 174.700 176.094 -0.170 0.000 1.040 815 V CA -1.252 60.901 62.300 -0.246 0.000 1.008 815 V CB 1.099 32.593 31.823 -0.549 0.000 0.990 815 V HN 0.136 nan 8.190 nan 0.000 0.477 816 P HA 0.175 nan 4.420 nan 0.000 0.258 816 P C -0.128 177.130 177.300 -0.070 0.000 1.403 816 P CA 0.279 63.329 63.100 -0.082 0.000 0.826 816 P CB 0.365 32.025 31.700 -0.066 0.000 1.414 817 A N -0.190 122.580 122.820 -0.083 0.000 2.365 817 A HA 0.412 4.735 4.320 0.005 0.000 0.318 817 A C 0.761 178.333 177.584 -0.020 0.000 1.091 817 A CA -0.479 51.533 52.037 -0.043 0.000 0.763 817 A CB 0.992 19.971 19.000 -0.034 0.000 1.248 817 A HN -0.217 nan 8.150 nan 0.000 0.442 818 D N 0.346 120.745 120.400 -0.003 0.000 2.133 818 D HA -0.092 4.551 4.640 0.005 0.000 0.195 818 D C -0.103 176.212 176.300 0.025 0.000 0.997 818 D CA 1.959 55.963 54.000 0.006 0.000 0.840 818 D CB 0.257 41.062 40.800 0.007 0.000 0.947 818 D HN 0.564 nan 8.370 nan 0.000 0.452 819 D N -1.586 118.840 120.400 0.044 0.000 2.375 819 D HA 0.180 4.823 4.640 0.005 0.000 0.247 819 D C -1.491 174.899 176.300 0.149 0.000 1.061 819 D CA -0.626 53.416 54.000 0.070 0.000 0.834 819 D CB 0.813 41.640 40.800 0.046 0.000 1.247 819 D HN -0.113 nan 8.370 nan 0.000 0.489 820 Y N 3.704 123.989 120.300 -0.026 0.000 2.373 820 Y HA 0.385 4.938 4.550 0.005 0.000 0.327 820 Y C -0.952 174.930 175.900 -0.029 0.000 1.036 820 Y CA -0.754 57.330 58.100 -0.027 0.000 1.265 820 Y CB 0.594 39.031 38.460 -0.038 0.000 1.108 820 Y HN 0.240 nan 8.280 nan 0.000 0.471 821 R N 4.014 124.401 120.500 -0.188 0.000 2.428 821 R HA 0.764 5.107 4.340 0.005 0.000 0.294 821 R C -1.329 174.709 176.300 -0.437 0.000 1.000 821 R CA -1.070 54.871 56.100 -0.265 0.000 0.960 821 R CB 2.059 32.292 30.300 -0.113 0.000 1.076 821 R HN 0.380 nan 8.270 nan 0.000 0.475 822 V N 4.962 124.641 119.914 -0.392 0.000 2.531 822 V HA 0.386 4.509 4.120 0.005 0.000 0.301 822 V C -0.288 175.681 176.094 -0.208 0.000 1.034 822 V CA -0.779 61.301 62.300 -0.365 0.000 0.865 822 V CB 1.834 33.386 31.823 -0.451 0.000 0.995 822 V HN 0.558 nan 8.190 nan 0.000 0.424 823 L N 3.904 125.034 121.223 -0.154 0.000 2.334 823 L HA 0.991 5.334 4.340 0.005 0.000 0.275 823 L C 0.665 177.470 176.870 -0.108 0.000 1.036 823 L CA -0.148 54.621 54.840 -0.118 0.000 0.807 823 L CB 1.844 43.851 42.059 -0.085 0.000 1.231 823 L HN 0.807 nan 8.230 nan 0.000 0.438 824 G N -0.698 108.039 108.800 -0.105 0.000 2.645 824 G HA2 0.443 4.406 3.960 0.005 0.000 0.292 824 G HA3 0.443 4.406 3.960 0.005 0.000 0.292 824 G C -0.389 174.452 174.900 -0.097 0.000 1.415 824 G CA -0.132 44.915 45.100 -0.088 0.000 0.785 824 G HN 0.485 nan 8.290 nan 0.000 0.483 825 T N -1.193 113.261 114.554 -0.166 0.000 3.260 825 T HA 0.324 4.677 4.350 0.005 0.000 0.254 825 T C -0.239 174.327 174.700 -0.224 0.000 0.951 825 T CA -0.334 61.560 62.100 -0.343 0.000 0.918 825 T CB -0.436 67.984 68.868 -0.746 0.000 1.098 825 T HN 0.323 nan 8.240 nan 0.000 0.563 826 D N 1.727 122.098 120.400 -0.047 0.000 2.478 826 D HA 0.438 5.081 4.640 0.005 0.000 0.234 826 D C 1.011 177.376 176.300 0.108 0.000 1.154 826 D CA 1.530 55.517 54.000 -0.022 0.000 0.874 826 D CB 0.007 40.790 40.800 -0.028 0.000 1.198 826 D HN 0.733 nan 8.370 nan 0.000 0.455 827 G N -0.107 108.704 108.800 0.020 0.000 2.674 827 G HA2 -0.055 3.908 3.960 0.005 0.000 0.686 827 G HA3 -0.055 3.908 3.960 0.005 0.000 0.686 827 G C -0.740 174.255 174.900 0.160 0.000 1.195 827 G CA -1.215 43.960 45.100 0.125 0.000 0.776 827 G HN 0.259 nan 8.290 nan 0.000 0.654 828 F N 1.022 121.093 119.950 0.203 0.000 2.553 828 F HA 0.454 4.984 4.527 0.005 0.000 0.356 828 F C 1.706 177.698 175.800 0.320 0.000 1.142 828 F CA 1.543 59.651 58.000 0.179 0.000 1.322 828 F CB 0.788 39.852 39.000 0.107 0.000 1.126 828 F HN 0.721 nan 8.300 nan 0.000 0.599 829 G N 2.351 111.433 108.800 0.470 0.000 2.537 829 G HA2 0.621 4.584 3.960 0.005 0.000 0.273 829 G HA3 0.621 4.584 3.960 0.005 0.000 0.273 829 G C -0.840 174.235 174.900 0.293 0.000 1.189 829 G CA -0.836 44.526 45.100 0.437 0.000 0.881 829 G HN 0.722 nan 8.290 nan 0.000 0.535 830 R N -0.896 119.739 120.500 0.225 0.000 2.764 830 R HA 0.544 4.886 4.340 0.005 0.000 0.270 830 R C -1.103 175.238 176.300 0.068 0.000 1.014 830 R CA -0.805 55.345 56.100 0.084 0.000 0.904 830 R CB 0.933 31.206 30.300 -0.046 0.000 1.236 830 R HN 0.369 nan 8.270 nan 0.000 0.466 831 S N 0.690 116.408 115.700 0.029 0.000 2.545 831 S HA 0.375 4.848 4.470 0.005 0.000 0.275 831 S C -0.566 174.038 174.600 0.006 0.000 1.299 831 S CA -0.123 58.090 58.200 0.023 0.000 1.048 831 S CB 0.394 63.600 63.200 0.010 0.000 0.938 831 S HN 0.580 nan 8.310 nan 0.000 0.496 832 D N -0.312 120.101 120.400 0.021 0.000 2.896 832 D HA 0.077 4.720 4.640 0.005 0.000 0.326 832 D C -0.863 175.458 176.300 0.035 0.000 1.348 832 D CA -0.350 53.661 54.000 0.018 0.000 0.746 832 D CB 0.802 41.606 40.800 0.007 0.000 1.307 832 D HN 0.549 nan 8.370 nan 0.000 0.447 833 S N -0.107 115.615 115.700 0.036 0.000 2.593 833 S HA 0.310 4.783 4.470 0.005 0.000 0.269 833 S C 1.349 175.986 174.600 0.062 0.000 1.334 833 S CA -0.308 57.919 58.200 0.045 0.000 1.015 833 S CB 1.521 64.746 63.200 0.041 0.000 0.912 833 S HN 0.481 nan 8.310 nan 0.000 0.541 834 R N 0.749 121.289 120.500 0.067 0.000 2.083 834 R HA -0.130 4.213 4.340 0.005 0.000 0.237 834 R C 2.382 178.725 176.300 0.072 0.000 1.137 834 R CA 1.773 57.917 56.100 0.074 0.000 0.951 834 R CB -0.541 29.810 30.300 0.085 0.000 0.851 834 R HN 0.884 nan 8.270 nan 0.000 0.434 835 E N 0.671 120.914 120.200 0.073 0.000 2.049 835 E HA -0.221 4.132 4.350 0.005 0.000 0.198 835 E C 1.703 178.358 176.600 0.093 0.000 1.007 835 E CA 1.317 57.761 56.400 0.074 0.000 0.809 835 E CB 0.032 29.771 29.700 0.064 0.000 0.749 835 E HN 0.227 nan 8.360 nan 0.000 0.450 836 N N 0.326 119.074 118.700 0.080 0.000 2.166 836 N HA -0.137 4.606 4.740 0.005 0.000 0.186 836 N C 1.903 177.497 175.510 0.140 0.000 1.019 836 N CA 0.814 53.919 53.050 0.091 0.000 0.856 836 N CB -0.188 38.328 38.487 0.049 0.000 0.993 836 N HN 0.229 nan 8.380 nan 0.000 0.426 837 L N 0.370 121.680 121.223 0.145 0.000 2.109 837 L HA -0.012 4.331 4.340 0.005 0.000 0.207 837 L C 2.114 179.162 176.870 0.296 0.000 1.086 837 L CA 0.765 55.748 54.840 0.239 0.000 0.760 837 L CB -0.195 42.031 42.059 0.278 0.000 0.910 837 L HN 0.097 nan 8.230 nan 0.000 0.437 838 R N -1.313 119.293 120.500 0.177 0.000 2.237 838 R HA -0.153 4.190 4.340 0.005 0.000 0.219 838 R C 1.957 178.323 176.300 0.111 0.000 1.080 838 R CA 0.792 56.952 56.100 0.100 0.000 0.995 838 R CB -0.207 30.059 30.300 -0.056 0.000 0.875 838 R HN 0.359 nan 8.270 nan 0.000 0.462 839 H N -1.008 118.113 119.070 0.084 0.000 2.418 839 H HA -0.035 4.524 4.556 0.005 0.000 0.300 839 H C 1.971 177.309 175.328 0.017 0.000 1.041 839 H CA 1.401 57.538 56.048 0.149 0.000 1.364 839 H CB 0.146 30.017 29.762 0.182 0.000 1.439 839 H HN 0.220 nan 8.280 nan 0.000 0.540 840 H N -0.615 118.466 119.070 0.018 0.000 2.352 840 H HA -0.140 4.419 4.556 0.005 0.000 0.299 840 H C 0.871 175.974 175.328 -0.375 0.000 1.097 840 H CA 1.952 57.882 56.048 -0.198 0.000 1.311 840 H CB -0.468 29.103 29.762 -0.317 0.000 1.377 840 H HN 0.281 nan 8.280 nan 0.000 0.504 841 F N 1.474 121.234 119.950 -0.317 0.000 2.693 841 F HA 0.129 4.658 4.527 0.005 0.000 0.303 841 F C 0.285 175.793 175.800 -0.487 0.000 1.143 841 F CA 0.460 58.230 58.000 -0.384 0.000 1.389 841 F CB -0.544 38.354 39.000 -0.170 0.000 1.060 841 F HN 0.236 nan 8.300 nan 0.000 0.535 842 E N -0.711 119.092 120.200 -0.663 0.000 2.199 842 E HA -0.217 4.136 4.350 0.005 0.000 0.208 842 E C 0.705 176.863 176.600 -0.737 0.000 1.310 842 E CA 0.152 55.694 56.400 -1.430 0.000 0.709 842 E CB -1.572 27.408 29.700 -1.199 0.000 1.127 842 E HN 0.298 nan 8.360 nan 0.000 0.354 843 V N -0.234 119.461 119.914 -0.366 0.000 3.485 843 V HA -0.014 4.109 4.120 0.005 0.000 0.280 843 V C 0.641 176.718 176.094 -0.027 0.000 1.495 843 V CA 0.730 62.953 62.300 -0.129 0.000 1.018 843 V CB 0.397 32.163 31.823 -0.095 0.000 0.818 843 V HN 0.489 nan 8.190 nan 0.000 0.436 844 D N 0.610 121.028 120.400 0.031 0.000 2.414 844 D HA 0.319 4.962 4.640 0.005 0.000 0.259 844 D C 1.617 177.960 176.300 0.072 0.000 1.269 844 D CA 0.383 54.407 54.000 0.039 0.000 1.028 844 D CB 0.698 41.549 40.800 0.085 0.000 1.093 844 D HN 0.021 nan 8.370 nan 0.000 0.545 845 A N 0.024 122.882 122.820 0.064 0.000 1.903 845 A HA -0.274 4.048 4.320 0.005 0.000 0.219 845 A C 2.225 179.679 177.584 -0.216 0.000 1.191 845 A CA 2.964 54.984 52.037 -0.028 0.000 0.638 845 A CB -1.442 17.550 19.000 -0.014 0.000 0.823 845 A HN 0.578 nan 8.150 nan 0.000 0.451 846 S N -1.527 113.984 115.700 -0.315 0.000 2.378 846 S HA -0.271 4.202 4.470 0.005 0.000 0.229 846 S C 1.875 176.135 174.600 -0.567 0.000 1.052 846 S CA 2.228 60.014 58.200 -0.689 0.000 1.084 846 S CB -0.578 62.441 63.200 -0.302 0.000 0.950 846 S HN 0.646 nan 8.310 nan 0.000 0.440 847 Y N 0.787 120.944 120.300 -0.238 0.000 2.395 847 Y HA 0.074 4.627 4.550 0.005 0.000 0.293 847 Y C 2.415 178.240 175.900 -0.125 0.000 1.123 847 Y CA 0.773 58.774 58.100 -0.165 0.000 1.227 847 Y CB -0.304 38.057 38.460 -0.165 0.000 1.012 847 Y HN 0.133 nan 8.280 nan 0.000 0.552 848 V N -1.364 118.557 119.914 0.012 0.000 2.427 848 V HA -0.233 3.890 4.120 0.005 0.000 0.248 848 V C 2.110 178.181 176.094 -0.039 0.000 1.051 848 V CA 1.429 63.729 62.300 -0.001 0.000 1.048 848 V CB -0.818 31.011 31.823 0.011 0.000 0.666 848 V HN 0.209 nan 8.190 nan 0.000 0.456 849 V N -0.345 119.507 119.914 -0.104 0.000 2.358 849 V HA -0.186 3.937 4.120 0.005 0.000 0.246 849 V C 2.443 178.488 176.094 -0.082 0.000 1.047 849 V CA 1.701 63.944 62.300 -0.096 0.000 1.035 849 V CB -0.233 31.523 31.823 -0.113 0.000 0.658 849 V HN 0.392 nan 8.190 nan 0.000 0.452 850 V N 0.402 120.277 119.914 -0.065 0.000 2.255 850 V HA -0.294 3.829 4.120 0.005 0.000 0.247 850 V C 2.739 178.814 176.094 -0.032 0.000 1.051 850 V CA 2.210 64.492 62.300 -0.030 0.000 1.018 850 V CB -1.188 30.614 31.823 -0.033 0.000 0.641 850 V HN 0.562 nan 8.190 nan 0.000 0.445 851 A N -0.066 122.743 122.820 -0.017 0.000 1.883 851 A HA -0.189 4.134 4.320 0.005 0.000 0.217 851 A C 2.436 180.007 177.584 -0.020 0.000 1.186 851 A CA 2.465 54.496 52.037 -0.011 0.000 0.624 851 A CB -0.944 18.055 19.000 -0.003 0.000 0.822 851 A HN 0.604 nan 8.150 nan 0.000 0.444 852 A N -0.252 122.552 122.820 -0.025 0.000 1.877 852 A HA -0.073 4.249 4.320 0.005 0.000 0.216 852 A C 2.203 179.759 177.584 -0.047 0.000 1.186 852 A CA 1.592 53.616 52.037 -0.022 0.000 0.620 852 A CB -0.697 18.292 19.000 -0.018 0.000 0.822 852 A HN 0.488 nan 8.150 nan 0.000 0.443 853 L N -0.718 120.449 121.223 -0.094 0.000 2.046 853 L HA -0.143 4.200 4.340 0.005 0.000 0.208 853 L C 2.869 179.699 176.870 -0.067 0.000 1.077 853 L CA 1.165 55.930 54.840 -0.125 0.000 0.747 853 L CB -1.087 40.839 42.059 -0.222 0.000 0.896 853 L HN 0.505 nan 8.230 nan 0.000 0.432 854 G N -0.123 108.649 108.800 -0.047 0.000 2.469 854 G HA2 -0.264 3.699 3.960 0.005 0.000 0.220 854 G HA3 -0.264 3.699 3.960 0.005 0.000 0.220 854 G C 1.425 176.315 174.900 -0.017 0.000 1.136 854 G CA 0.806 45.890 45.100 -0.026 0.000 0.759 854 G HN 0.458 nan 8.290 nan 0.000 0.562 855 E N -0.086 120.106 120.200 -0.014 0.000 2.107 855 E HA 0.039 4.392 4.350 0.005 0.000 0.191 855 E C 2.573 179.172 176.600 -0.002 0.000 0.982 855 E CA 0.230 56.629 56.400 -0.002 0.000 0.809 855 E CB -0.130 29.576 29.700 0.009 0.000 0.756 855 E HN 0.375 nan 8.360 nan 0.000 0.459 856 L N 0.713 121.930 121.223 -0.009 0.000 1.994 856 L HA -0.182 4.161 4.340 0.005 0.000 0.208 856 L C 2.673 179.541 176.870 -0.004 0.000 1.071 856 L CA 1.063 55.901 54.840 -0.005 0.000 0.745 856 L CB -0.655 41.397 42.059 -0.012 0.000 0.892 856 L HN 0.165 nan 8.230 nan 0.000 0.431 857 A N 0.525 123.339 122.820 -0.011 0.000 1.873 857 A HA -0.250 4.073 4.320 0.005 0.000 0.218 857 A C 2.140 179.723 177.584 -0.002 0.000 1.193 857 A CA 1.864 53.897 52.037 -0.006 0.000 0.629 857 A CB -0.520 18.474 19.000 -0.011 0.000 0.826 857 A HN 0.374 nan 8.150 nan 0.000 0.447 858 K N -0.823 119.576 120.400 -0.002 0.000 2.585 858 K HA -0.063 4.259 4.320 0.005 0.000 0.194 858 K C 0.379 176.980 176.600 0.002 0.000 1.037 858 K CA 0.885 57.172 56.287 -0.000 0.000 0.964 858 K CB -0.097 32.403 32.500 -0.001 0.000 0.787 858 K HN 0.392 nan 8.250 nan 0.000 0.488 859 R N -0.581 119.921 120.500 0.004 0.000 2.698 859 R HA 0.111 4.454 4.340 0.005 0.000 0.422 859 R C 0.488 176.792 176.300 0.007 0.000 1.073 859 R CA 0.042 56.145 56.100 0.006 0.000 1.054 859 R CB 0.968 31.273 30.300 0.008 0.000 1.373 859 R HN 0.215 nan 8.270 nan 0.000 0.593 860 G N 0.957 109.760 108.800 0.006 0.000 2.219 860 G HA2 -0.387 3.576 3.960 0.005 0.000 0.271 860 G HA3 -0.387 3.576 3.960 0.005 0.000 0.271 860 G C 0.813 175.719 174.900 0.010 0.000 0.991 860 G CA 1.074 46.179 45.100 0.008 0.000 0.685 860 G HN 0.526 nan 8.290 nan 0.000 0.531 861 E N -0.562 119.644 120.200 0.011 0.000 2.347 861 E HA 0.243 4.596 4.350 0.005 0.000 0.196 861 E C 1.302 177.913 176.600 0.018 0.000 1.008 861 E CA 1.013 57.422 56.400 0.015 0.000 0.852 861 E CB -0.002 29.707 29.700 0.015 0.000 0.783 861 E HN 0.908 nan 8.360 nan 0.000 0.505 862 I N -3.247 117.332 120.570 0.014 0.000 2.984 862 I HA 0.314 4.487 4.170 0.005 0.000 0.303 862 I C -1.473 174.652 176.117 0.014 0.000 1.381 862 I CA -1.274 60.037 61.300 0.019 0.000 0.988 862 I CB 2.128 40.138 38.000 0.016 0.000 1.307 862 I HN -0.359 nan 8.210 nan 0.000 0.460 863 D N 3.325 123.737 120.400 0.020 0.000 2.348 863 D HA 0.225 4.868 4.640 0.005 0.000 0.253 863 D C 0.892 177.198 176.300 0.011 0.000 1.161 863 D CA -0.076 53.933 54.000 0.015 0.000 0.876 863 D CB 1.498 42.309 40.800 0.019 0.000 1.160 863 D HN 0.594 nan 8.370 nan 0.000 0.459 864 K N 2.688 123.091 120.400 0.005 0.000 2.189 864 K HA -0.258 4.065 4.320 0.005 0.000 0.207 864 K C 1.533 178.135 176.600 0.004 0.000 1.046 864 K CA 1.241 57.528 56.287 0.001 0.000 0.928 864 K CB 0.003 32.504 32.500 0.001 0.000 0.720 864 K HN 0.453 nan 8.250 nan 0.000 0.458 865 K N 0.736 121.142 120.400 0.009 0.000 2.211 865 K HA -0.113 4.210 4.320 0.005 0.000 0.204 865 K C 2.027 178.638 176.600 0.019 0.000 1.047 865 K CA 1.049 57.343 56.287 0.011 0.000 0.935 865 K CB -0.082 32.426 32.500 0.012 0.000 0.728 865 K HN -0.008 nan 8.250 nan 0.000 0.452 866 V N 0.807 120.738 119.914 0.027 0.000 2.427 866 V HA -0.206 3.917 4.120 0.005 0.000 0.248 866 V C 2.179 178.285 176.094 0.019 0.000 1.051 866 V CA 1.397 63.729 62.300 0.054 0.000 1.048 866 V CB -0.168 31.694 31.823 0.065 0.000 0.666 866 V HN 0.076 nan 8.190 nan 0.000 0.456 867 V N 0.242 120.149 119.914 -0.012 0.000 2.358 867 V HA -0.187 3.936 4.120 0.005 0.000 0.246 867 V C 2.674 178.768 176.094 -0.001 0.000 1.047 867 V CA 1.817 64.102 62.300 -0.024 0.000 1.035 867 V CB -1.140 30.669 31.823 -0.024 0.000 0.658 867 V HN 0.538 nan 8.190 nan 0.000 0.452 868 A N 0.341 123.163 122.820 0.002 0.000 1.877 868 A HA -0.242 4.080 4.320 0.005 0.000 0.216 868 A C 1.988 179.570 177.584 -0.003 0.000 1.186 868 A CA 1.980 54.018 52.037 0.002 0.000 0.620 868 A CB -0.669 18.332 19.000 0.003 0.000 0.822 868 A HN 0.553 nan 8.150 nan 0.000 0.443 869 D N 0.306 120.707 120.400 0.001 0.000 2.178 869 D HA -0.065 4.578 4.640 0.005 0.000 0.201 869 D C 2.143 178.414 176.300 -0.048 0.000 0.980 869 D CA 1.375 55.367 54.000 -0.014 0.000 0.842 869 D CB -0.414 40.391 40.800 0.007 0.000 0.948 869 D HN 0.460 nan 8.370 nan 0.000 0.472 870 A N 1.233 124.046 122.820 -0.011 0.000 1.841 870 A HA -0.124 4.199 4.320 0.005 0.000 0.214 870 A C 2.384 179.946 177.584 -0.037 0.000 1.195 870 A CA 0.818 52.835 52.037 -0.033 0.000 0.611 870 A CB -0.823 18.237 19.000 0.100 0.000 0.835 870 A HN 0.153 nan 8.150 nan 0.000 0.443 871 I N -0.020 120.572 120.570 0.036 0.000 2.248 871 I HA -0.347 3.826 4.170 0.005 0.000 0.248 871 I C 2.892 179.012 176.117 0.006 0.000 1.107 871 I CA 1.112 62.438 61.300 0.043 0.000 1.373 871 I CB -0.309 37.700 38.000 0.015 0.000 1.055 871 I HN 0.395 nan 8.210 nan 0.000 0.418 872 A N 0.717 123.514 122.820 -0.039 0.000 1.873 872 A HA -0.242 4.081 4.320 0.005 0.000 0.215 872 A C 2.395 179.917 177.584 -0.103 0.000 1.186 872 A CA 1.822 53.829 52.037 -0.050 0.000 0.616 872 A CB -0.504 18.467 19.000 -0.047 0.000 0.823 872 A HN 0.356 nan 8.150 nan 0.000 0.442 873 K N -1.252 119.008 120.400 -0.233 0.000 2.097 873 K HA -0.131 4.192 4.320 0.005 0.000 0.206 873 K C 0.772 177.179 176.600 -0.321 0.000 1.049 873 K CA 1.567 57.644 56.287 -0.350 0.000 0.933 873 K CB -0.281 31.887 32.500 -0.554 0.000 0.717 873 K HN 0.386 nan 8.250 nan 0.000 0.442 874 F N 1.735 121.696 119.950 0.018 0.000 2.731 874 F HA 0.170 4.700 4.527 0.005 0.000 0.304 874 F C 0.133 175.964 175.800 0.051 0.000 1.133 874 F CA -0.125 57.892 58.000 0.028 0.000 1.380 874 F CB -0.379 38.623 39.000 0.004 0.000 1.079 874 F HN 0.087 nan 8.300 nan 0.000 0.550 875 N N 0.770 119.556 118.700 0.143 0.000 2.754 875 N HA -0.229 4.513 4.740 0.005 0.000 0.248 875 N C -0.333 175.315 175.510 0.229 0.000 1.093 875 N CA 0.487 53.612 53.050 0.126 0.000 0.699 875 N CB -1.589 36.934 38.487 0.061 0.000 1.016 875 N HN 0.343 nan 8.380 nan 0.000 0.552 876 I N 1.007 121.681 120.570 0.173 0.000 2.301 876 I HA 0.033 4.206 4.170 0.005 0.000 0.292 876 I C 0.587 176.763 176.117 0.099 0.000 1.046 876 I CA -0.466 60.898 61.300 0.107 0.000 1.282 876 I CB 0.780 38.686 38.000 -0.157 0.000 1.409 876 I HN -0.082 nan 8.210 nan 0.000 0.484 877 D N 6.338 126.823 120.400 0.143 0.000 2.383 877 D HA 0.169 4.812 4.640 0.005 0.000 0.245 877 D C 1.024 177.379 176.300 0.091 0.000 1.263 877 D CA -0.052 54.009 54.000 0.102 0.000 0.936 877 D CB 1.277 42.140 40.800 0.104 0.000 1.053 877 D HN 0.614 nan 8.370 nan 0.000 0.507 878 A N 3.767 126.627 122.820 0.066 0.000 2.216 878 A HA -0.092 4.231 4.320 0.005 0.000 0.214 878 A C 1.171 178.780 177.584 0.042 0.000 1.160 878 A CA 0.808 52.880 52.037 0.057 0.000 0.725 878 A CB 0.150 19.174 19.000 0.039 0.000 0.784 878 A HN 0.525 nan 8.150 nan 0.000 0.472 879 D N -0.333 120.090 120.400 0.038 0.000 2.479 879 D HA 0.075 4.718 4.640 0.005 0.000 0.218 879 D C 0.169 176.484 176.300 0.024 0.000 1.177 879 D CA -0.063 53.953 54.000 0.026 0.000 0.830 879 D CB 0.266 41.079 40.800 0.022 0.000 1.014 879 D HN 0.701 nan 8.370 nan 0.000 0.503 880 K N 0.273 120.692 120.400 0.031 0.000 2.230 880 K HA 0.238 4.561 4.320 0.005 0.000 0.253 880 K C 0.481 177.084 176.600 0.006 0.000 1.008 880 K CA -0.550 55.752 56.287 0.025 0.000 0.910 880 K CB 1.309 33.831 32.500 0.036 0.000 0.994 880 K HN -0.208 nan 8.250 nan 0.000 0.495 881 V N 1.813 121.731 119.914 0.006 0.000 2.715 881 V HA -0.039 4.083 4.120 0.005 0.000 0.299 881 V C 0.143 176.218 176.094 -0.032 0.000 1.054 881 V CA -0.411 61.888 62.300 -0.002 0.000 1.077 881 V CB 0.691 32.522 31.823 0.013 0.000 0.972 881 V HN 0.931 nan 8.190 nan 0.000 0.484 882 N N 6.575 125.255 118.700 -0.033 0.000 2.292 882 N HA 0.029 4.772 4.740 0.005 0.000 0.258 882 N C -1.738 173.729 175.510 -0.071 0.000 1.261 882 N CA -0.687 52.328 53.050 -0.058 0.000 0.845 882 N CB 1.343 39.810 38.487 -0.034 0.000 1.064 882 N HN 0.461 nan 8.380 nan 0.000 0.471 883 P HA -0.149 nan 4.420 nan 0.000 0.218 883 P C 1.210 178.524 177.300 0.022 0.000 1.146 883 P CA 1.163 64.157 63.100 -0.177 0.000 0.813 883 P CB 0.127 31.648 31.700 -0.299 0.000 0.778 884 R N -0.032 120.477 120.500 0.015 0.000 2.120 884 R HA -0.070 4.273 4.340 0.005 0.000 0.234 884 R C 1.773 178.107 176.300 0.057 0.000 1.123 884 R CA 1.176 57.292 56.100 0.026 0.000 0.975 884 R CB -0.600 29.693 30.300 -0.013 0.000 0.866 884 R HN 0.211 nan 8.270 nan 0.000 0.446 885 L N 0.245 121.500 121.223 0.053 0.000 2.477 885 L HA 0.249 4.592 4.340 0.005 0.000 0.220 885 L C 1.295 178.225 176.870 0.099 0.000 1.106 885 L CA -0.126 54.757 54.840 0.072 0.000 0.851 885 L CB -0.197 41.885 42.059 0.039 0.000 0.994 885 L HN 0.141 nan 8.230 nan 0.000 0.462 886 A N 0.000 122.885 122.820 0.109 0.000 2.254 886 A HA 0.000 4.323 4.320 0.005 0.000 0.244 886 A CA 0.000 52.106 52.037 0.116 0.000 0.836 886 A CB 0.000 19.095 19.000 0.159 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486