============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 5 1.000 42.766 16.315 3.314 -99.200 -91.000 PHE 15 1.000 26.421 14.905 -2.694 -99.200 -91.000 HIS 53 0.900 35.409 30.119 -10.934 -99.200 -91.000 TRP 74 1.040 43.185 23.519 -8.760 -99.200 -91.000 TRP6 74 1.020 44.556 22.735 -10.518 -99.200 -91.000 TYR 80 0.840 31.507 35.460 -2.598 -99.200 -91.000 PHE 98 1.000 46.639 22.643 0.458 -99.200 -91.000 TRP 100 1.040 36.924 27.555 3.228 -99.200 -91.000 TRP6 100 1.020 39.279 27.426 3.447 -99.200 -91.000 PHE 108 1.000 41.773 34.876 -3.732 -99.200 -91.000 TRP 109 1.040 45.071 37.629 -1.249 -99.200 -91.000 TRP6 109 1.020 45.896 37.441 -3.461 -99.200 -91.000 TRP 110 1.040 46.696 29.846 5.383 -99.200 -91.000 TRP6 110 1.020 45.744 27.724 4.954 -99.200 -91.000 TRP 121 1.040 54.873 21.915 -4.798 -99.200 -91.000 TRP6 121 1.020 54.146 20.009 -5.999 -99.200 -91.000 HIS 135 0.900 50.842 41.361 -9.114 -99.200 -91.000 TRP 136 1.040 51.370 34.433 -3.221 -99.200 -91.000 TRP6 136 1.020 50.901 35.995 -1.507 -99.200 -91.000 TYR 138 0.840 56.486 40.046 -11.502 -99.200 -91.000 TYR 141 0.840 56.660 31.914 -2.175 -99.200 -91.000 PHE 145 1.000 56.961 34.920 -12.656 -99.200 -91.000 HIS 160 0.900 46.201 44.226 -21.346 -99.200 -91.000 TYR 163 0.840 49.410 38.579 -25.097 -99.200 -91.000 PHE 187 1.000 32.454 25.098 -28.858 -99.200 -91.000 TYR 191 0.840 28.096 30.738 -22.519 -99.200 -91.000 PHE 209 1.000 15.867 44.725 -26.259 -99.200 -91.000 TYR 219 0.840 30.190 45.284 -36.253 -99.200 -91.000 TYR 238 0.840 21.036 54.670 -35.650 -99.200 -91.000 PHE 255 1.000 24.628 46.319 -38.052 -99.200 -91.000 HIS 284 0.900 28.773 60.392 -24.664 -99.200 -91.000 HIS 299 0.900 36.925 47.383 -18.990 -99.200 -91.000 TRP 316 1.040 21.755 56.594 -8.265 -99.200 -91.000 TRP6 316 1.020 22.940 54.929 -9.463 -99.200 -91.000 HIS 325 0.900 13.299 52.797 -13.833 -99.200 -91.000 TRP 328 1.040 19.771 63.929 -15.399 -99.200 -91.000 TRP6 328 1.020 20.284 61.648 -15.784 -99.200 -91.000 PHE 353 1.000 30.948 20.470 -26.970 -99.200 -91.000 TYR 370 0.840 56.861 18.410 -17.577 -99.200 -91.000 TYR 377 0.840 56.146 27.041 -27.239 -99.200 -91.000 TYR 382 0.840 56.052 32.019 -27.491 -99.200 -91.000 TYR 391 0.840 44.415 14.913 -29.291 -99.200 -91.000 HIS 396 0.900 35.888 19.125 -26.971 -99.200 -91.000 PHE 400 1.000 29.150 18.643 -31.693 -99.200 -91.000 HIS 403 0.900 30.371 9.534 -39.027 -99.200 -91.000 TYR 414 0.840 46.308 19.745 -56.167 -99.200 -91.000 PHE 423 1.000 44.591 18.307 -41.274 -99.200 -91.000 TYR 427 0.840 48.362 33.030 -44.118 -99.200 -91.000 TYR 428 0.840 41.768 29.097 -42.609 -99.200 -91.000 TYR 430 0.840 41.113 27.927 -38.193 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3mtgA1 GLY 101 HA2 0.04 -0.05 0.15 -0.51 4.01 3.65 3mtgA1 GLY 101 HA3 0.03 -0.05 0.13 -0.51 4.01 3.62 3mtgA1 SER 102 H 0.07 0.21 0.09 -0.55 8.46 8.28 3mtgA1 SER 102 HA 0.05 -0.02 0.46 -0.75 4.49 4.24 3mtgA1 SER 102 HB2 0.07 0.03 0.12 -0.04 3.95 4.13 3mtgA1 SER 102 HB3 0.13 0.09 0.10 -0.04 3.93 4.20 3mtgA1 SER 103 H 0.00 0.08 0.20 -0.55 8.46 8.20 3mtgA1 SER 103 HA -0.42 0.18 0.72 -0.75 4.49 4.22 3mtgA1 SER 103 HB2 -0.16 -0.02 0.17 -0.04 3.95 3.90 3mtgA1 SER 103 HB3 -0.09 0.06 0.02 -0.04 3.93 3.88 3mtgA1 ASN 104 H 0.04 0.05 -0.01 -0.55 8.53 8.06 3mtgA1 ASN 104 HA 0.05 0.08 0.48 -0.75 4.76 4.61 3mtgA1 ASN 104 HB2 0.04 -0.07 0.13 -0.04 2.88 2.95 3mtgA1 ASN 104 HB3 0.06 0.07 0.20 -0.04 2.79 3.08 3mtgA1 ASN 104 HD21 -0.07 0.04 0.01 -0.04 7.03 6.97 3mtgA1 ASN 104 HD22 -0.02 0.03 0.06 -0.04 7.74 7.77 3mtgA1 PHE 105 H -0.19 0.58 0.31 -0.55 8.34 8.48 3mtgA1 PHE 105 HA -1.16 0.07 0.32 -0.75 4.62 3.10 3mtgA1 PHE 105 HB2 -0.24 -0.04 0.11 -0.04 3.15 2.95 3mtgA1 PHE 105 HB3 -0.26 0.25 0.19 -0.04 3.06 3.20 3mtgA1 PHE 105 HD2 -0.06 -0.03 -0.46 -0.04 7.28 6.68 3mtgA1 PHE 105 HE2 -0.02 0.12 -0.17 -0.04 7.38 7.27 3mtgA1 PHE 105 HZ -0.02 0.01 -0.06 -0.04 7.32 7.21 3mtgA1 CYS 106 H -0.05 0.54 0.28 -0.55 8.50 8.72 3mtgA1 CYS 106 HA 0.15 0.18 0.82 -0.75 4.58 4.97 3mtgA1 CYS 106 HB2 0.58 0.12 -0.06 -0.04 2.97 3.57 3mtgA1 CYS 106 HB3 0.85 -0.08 0.13 -0.04 2.97 3.82 3mtgA1 VAL 107 H 0.23 0.35 0.07 -0.55 8.24 8.34 3mtgA1 VAL 107 HA 0.31 0.21 0.74 -0.75 4.13 4.64 3mtgA1 VAL 107 HB 0.14 -0.18 0.04 -0.04 2.12 2.08 3mtgA1 VAL 107 HG13 0.15 0.10 -0.23 -0.04 0.97 0.95 3mtgA1 VAL 107 HG23 0.18 0.02 -0.12 -0.04 0.95 0.99 3mtgA1 LYS 108 H 0.13 0.14 0.13 -0.55 8.42 8.26 3mtgA1 LYS 108 HA -0.11 0.19 0.42 -0.75 4.32 4.07 3mtgA1 LYS 108 HB2 -0.11 0.04 0.08 -0.04 1.87 1.84 3mtgA1 LYS 108 HB3 0.07 -0.10 0.08 -0.04 1.79 1.80 3mtgA1 LYS 108 HG2 -0.00 -0.06 0.02 -0.04 1.46 1.38 3mtgA1 LYS 108 HG3 -0.08 0.07 0.12 -0.04 1.46 1.53 3mtgA1 LYS 108 HD2 0.04 -0.01 0.04 -0.04 1.69 1.72 3mtgA1 LYS 108 HD3 0.03 -0.02 0.03 -0.04 1.68 1.67 3mtgA1 LYS 108 HE2 -0.03 0.01 0.03 -0.04 2.99 2.95 3mtgA1 LYS 108 HE3 -0.13 0.02 0.02 -0.04 2.99 2.86 3mtgA1 ASN 109 H 0.07 0.05 -0.56 -0.55 8.53 7.54 3mtgA1 ASN 109 HA 0.03 0.06 0.22 -0.75 4.76 4.31 3mtgA1 ASN 109 HB2 0.04 0.09 0.08 -0.04 2.88 3.05 3mtgA1 ASN 109 HB3 0.04 -0.14 -0.07 -0.04 2.79 2.57 3mtgA1 ASN 109 HD21 0.12 -0.02 0.08 -0.04 7.03 7.17 3mtgA1 ASN 109 HD22 0.10 0.04 -0.02 -0.04 7.74 7.82 3mtgA1 ILE 110 H 0.01 0.25 0.20 -0.55 8.25 8.17 3mtgA1 ILE 110 HA 0.02 0.13 0.32 -0.75 4.18 3.90 3mtgA1 ILE 110 HB -0.00 -0.02 0.22 -0.04 1.89 2.05 3mtgA1 ILE 110 HG12 -0.01 0.02 0.02 -0.04 1.49 1.48 3mtgA1 ILE 110 HG13 0.00 0.02 -0.07 -0.04 1.21 1.12 3mtgA1 ILE 110 HG23 -0.00 0.01 0.09 -0.04 0.93 0.98 3mtgA1 ILE 110 HD13 -0.02 0.09 0.06 -0.04 0.88 0.96 3mtgA1 LYS 111 H 0.02 0.42 0.35 -0.55 8.42 8.66 3mtgA1 LYS 111 HA 0.01 0.02 0.33 -0.75 4.32 3.93 3mtgA1 GLN 112 H 0.02 0.20 -0.30 -0.55 8.47 7.84 3mtgA1 GLN 112 HA 0.07 0.20 0.48 -0.75 4.36 4.36 3mtgA1 GLN 112 HB2 0.05 0.01 -0.09 -0.04 2.15 2.07 3mtgA1 GLN 112 HB3 0.11 -0.08 0.05 -0.04 2.02 2.06 3mtgA1 GLN 112 HG2 0.02 0.15 -0.19 -0.04 2.40 2.34 3mtgA1 GLN 112 HG3 0.03 -0.12 -0.27 -0.04 2.39 1.99 3mtgA1 GLN 112 HE21 0.02 0.01 -0.05 -0.04 6.97 6.91 3mtgA1 GLN 112 HE22 0.00 0.11 -0.06 -0.04 7.69 7.70 3mtgA1 ALA 113 H 0.00 0.15 -0.36 -0.55 8.40 7.65 3mtgA1 ALA 113 HA -0.03 -0.02 0.22 -0.75 4.34 3.76 3mtgA1 ALA 113 HB3 -0.05 0.07 -0.08 -0.04 1.41 1.31 3mtgA1 GLU 114 H 0.02 0.21 -0.14 -0.55 8.60 8.14 3mtgA1 GLU 114 HA -0.00 0.11 0.34 -0.75 4.29 3.98 3mtgA1 GLU 114 HB2 0.04 0.01 0.08 -0.04 2.09 2.18 3mtgA1 GLU 114 HB3 0.04 0.05 -0.03 -0.04 1.99 2.01 3mtgA1 GLU 114 HG2 0.00 -0.04 0.02 -0.04 2.34 2.28 3mtgA1 GLU 114 HG3 0.01 0.06 0.02 -0.04 2.34 2.40 3mtgA1 PHE 115 H 0.17 0.14 -0.26 -0.55 8.34 7.83 3mtgA1 PHE 115 HA -0.02 0.10 0.38 -0.75 4.62 4.33 3mtgA1 PHE 115 HB2 -0.01 0.05 0.06 -0.04 3.15 3.21 3mtgA1 PHE 115 HB3 -0.01 0.07 0.08 -0.04 3.06 3.15 3mtgA1 PHE 115 HD2 -0.01 0.00 -0.04 -0.04 7.28 7.20 3mtgA1 PHE 115 HE2 -0.01 -0.02 -0.03 -0.04 7.38 7.29 3mtgA1 PHE 115 HZ -0.01 0.02 -0.02 -0.04 7.32 7.27 3mtgA1 GLY 116 H 0.04 0.51 -0.08 -0.55 8.43 8.35 3mtgA1 GLY 116 HA2 -0.25 -0.11 0.25 -0.51 4.01 3.39 3mtgA1 GLY 116 HA3 -0.07 0.27 0.06 -0.51 4.01 3.76 3mtgA1 ARG 117 H -0.08 0.71 -0.12 -0.55 8.46 8.41 3mtgA1 ARG 117 HA -0.10 -0.01 0.41 -0.75 4.34 3.89 3mtgA1 ARG 117 HB2 -0.06 0.04 0.09 -0.04 1.90 1.92 3mtgA1 ARG 117 HB3 -0.06 0.17 0.11 -0.04 1.80 1.98 3mtgA1 ARG 117 HG2 -0.05 0.06 -0.03 -0.04 1.67 1.60 3mtgA1 ARG 117 HG3 -0.06 -0.01 -0.14 -0.04 1.67 1.42 3mtgA1 ARG 117 HD2 -0.06 0.07 -0.02 -0.04 3.22 3.17 3mtgA1 ARG 117 HD3 -0.07 -0.15 0.07 -0.04 3.22 3.03 3mtgA1 ARG 118 H -0.15 0.37 -0.27 -0.55 8.46 7.86 3mtgA1 ARG 118 HA -0.09 0.06 0.40 -0.75 4.34 3.96 3mtgA1 ARG 118 HB2 -0.26 0.20 0.12 -0.04 1.90 1.92 3mtgA1 ARG 118 HB3 -0.11 -0.03 0.04 -0.04 1.80 1.65 3mtgA1 ARG 118 HG2 -0.04 -0.02 0.04 -0.04 1.67 1.61 3mtgA1 ARG 118 HG3 -0.06 0.24 0.14 -0.04 1.67 1.95 3mtgA1 ARG 118 HD2 0.01 -0.01 0.06 -0.04 3.22 3.23 3mtgA1 ARG 118 HD3 0.02 -0.01 0.00 -0.04 3.22 3.19 3mtgA1 GLU 119 H -0.27 0.32 -0.34 -0.55 8.60 7.76 3mtgA1 GLU 119 HA -0.16 0.07 0.49 -0.75 4.29 3.93 3mtgA1 GLU 119 HB2 -0.21 0.18 0.14 -0.04 2.09 2.16 3mtgA1 GLU 119 HB3 -0.15 -0.14 0.05 -0.04 1.99 1.72 3mtgA1 GLU 119 HG2 -0.68 0.20 0.05 -0.04 2.34 1.87 3mtgA1 GLU 119 HG3 -0.29 -0.11 0.01 -0.04 2.34 1.91 3mtgA1 ILE 120 H -0.13 0.40 -0.11 -0.55 8.25 7.86 3mtgA1 ILE 120 HA -0.09 0.03 0.53 -0.75 4.18 3.89 3mtgA1 ILE 120 HB -0.10 0.18 0.16 -0.04 1.89 2.09 3mtgA1 ILE 120 HG12 -0.10 -0.05 -0.02 -0.04 1.49 1.28 3mtgA1 ILE 120 HG13 -0.11 -0.11 0.01 -0.04 1.21 0.97 3mtgA1 ILE 120 HG23 -0.09 0.02 -0.13 -0.04 0.93 0.69 3mtgA1 ILE 120 HD13 -0.10 0.01 -0.11 -0.04 0.88 0.63 3mtgA1 GLU 121 H -0.09 0.56 -0.10 -0.55 8.60 8.42 3mtgA1 GLU 121 HA -0.06 0.03 0.31 -0.75 4.29 3.81 3mtgA1 GLU 121 HB2 -0.07 0.07 0.19 -0.04 2.09 2.23 3mtgA1 GLU 121 HB3 -0.05 0.00 -0.02 -0.04 1.99 1.88 3mtgA1 GLU 121 HG2 -0.05 -0.02 0.01 -0.04 2.34 2.24 3mtgA1 GLU 121 HG3 -0.07 0.13 0.01 -0.04 2.34 2.38 3mtgA1 ILE 122 H -0.08 0.41 -0.26 -0.55 8.25 7.77 3mtgA1 ILE 122 HA -0.05 0.06 0.41 -0.75 4.18 3.85 3mtgA1 ILE 122 HB -0.08 0.02 0.19 -0.04 1.89 1.98 3mtgA1 ILE 122 HG12 -0.08 0.36 0.09 -0.04 1.49 1.82 3mtgA1 ILE 122 HG13 -0.06 -0.07 0.01 -0.04 1.21 1.06 3mtgA1 ILE 122 HG23 -0.04 -0.02 -0.08 -0.04 0.93 0.74 3mtgA1 ILE 122 HD13 -0.04 -0.01 -0.02 -0.04 0.88 0.76 3mtgA1 ALA 123 H -0.07 0.51 -0.17 -0.55 8.40 8.13 3mtgA1 ALA 123 HA -0.06 -0.04 0.38 -0.75 4.34 3.87 3mtgA1 ALA 123 HB3 -0.07 -0.01 0.03 -0.04 1.41 1.32 3mtgA1 GLU 124 H -0.07 0.83 -0.06 -0.55 8.60 8.75 3mtgA1 GLU 124 HA -0.08 -0.08 0.29 -0.75 4.29 3.67 3mtgA1 GLU 124 HB2 -0.06 0.18 0.09 -0.04 2.09 2.26 3mtgA1 GLU 124 HB3 -0.06 0.00 -0.02 -0.04 1.99 1.87 3mtgA1 GLU 124 HG2 -0.07 -0.06 0.00 -0.04 2.34 2.17 3mtgA1 GLU 124 HG3 -0.08 0.02 -0.01 -0.04 2.34 2.24 3mtgA1 GLN 125 H -0.06 0.36 -0.56 -0.55 8.47 7.67 3mtgA1 GLN 125 HA -0.05 0.08 0.51 -0.75 4.36 4.15 3mtgA1 GLN 125 HB2 -0.04 0.14 0.08 -0.04 2.15 2.29 3mtgA1 GLN 125 HB3 -0.04 -0.04 0.09 -0.04 2.02 1.99 3mtgA1 GLN 125 HG2 -0.04 -0.04 0.01 -0.04 2.40 2.30 3mtgA1 GLN 125 HG3 -0.05 0.18 0.07 -0.04 2.39 2.55 3mtgA1 GLN 125 HE21 -0.03 -0.08 -0.06 -0.04 6.97 6.76 3mtgA1 GLN 125 HE22 -0.04 0.10 -0.12 -0.04 7.69 7.59 3mtgA1 ASP 126 H -0.06 0.50 -0.08 -0.55 8.40 8.21 3mtgA1 ASP 126 HA -0.05 0.15 0.76 -0.75 4.63 4.73 3mtgA1 ASP 126 HB2 -0.05 0.06 0.15 -0.04 2.71 2.83 3mtgA1 ASP 126 HB3 -0.03 -0.13 0.11 -0.04 2.70 2.60 3mtgA1 MET 127 H -0.08 0.39 -0.03 -0.55 8.47 8.20 3mtgA1 MET 127 HA -0.15 0.11 0.73 -0.75 4.52 4.46 3mtgA1 MET 127 HB2 -0.10 0.07 0.06 -0.04 2.15 2.14 3mtgA1 MET 127 HB3 -0.11 -0.08 0.15 -0.04 2.03 1.95 3mtgA1 MET 127 HG2 -0.08 0.21 -0.11 -0.04 2.63 2.61 3mtgA1 MET 127 HG3 -0.08 0.01 -0.05 -0.04 2.56 2.39 3mtgA1 MET 127 HE3 -0.07 -0.03 -0.11 -0.04 2.10 1.85 3mtgA1 SER 128 H -0.12 0.25 -0.66 -0.55 8.46 7.38 3mtgA1 SER 128 HA -0.10 0.12 0.35 -0.75 4.49 4.11 3mtgA1 SER 128 HB2 -0.10 0.02 -0.00 -0.04 3.95 3.83 3mtgA1 SER 128 HB3 -0.08 0.13 0.06 -0.04 3.93 4.00 3mtgA1 ALA 129 H -0.29 0.07 -0.41 -0.55 8.40 7.22 3mtgA1 ALA 129 HA -0.27 0.22 0.51 -0.75 4.34 4.05 3mtgA1 ALA 129 HB3 -0.72 0.00 -0.07 -0.04 1.41 0.58 3mtgA1 LEU 130 H -0.18 0.37 -0.11 -0.55 8.37 7.90 3mtgA1 LEU 130 HA -0.12 0.09 0.55 -0.75 4.35 4.11 3mtgA1 LEU 130 HB2 -0.11 0.12 0.13 -0.04 1.64 1.74 3mtgA1 LEU 130 HB3 -0.09 0.04 -0.13 -0.04 1.64 1.43 3mtgA1 LEU 130 HG -0.10 -0.01 -0.05 -0.04 1.64 1.43 3mtgA1 LEU 130 HD13 -0.08 -0.02 -0.15 -0.04 0.93 0.64 3mtgA1 LEU 130 HD23 -0.07 0.01 -0.14 -0.04 0.89 0.66 3mtgA1 ILE 131 H -0.11 0.37 -0.06 -0.55 8.25 7.90 3mtgA1 ILE 131 HA -0.06 0.04 0.46 -0.75 4.18 3.86 3mtgA1 ILE 131 HB -0.08 0.06 0.11 -0.04 1.89 1.94 3mtgA1 ILE 131 HG12 -0.06 -0.01 0.04 -0.04 1.49 1.42 3mtgA1 ILE 131 HG13 -0.07 -0.06 -0.00 -0.04 1.21 1.04 3mtgA1 ILE 131 HG23 -0.05 0.02 -0.10 -0.04 0.93 0.75 3mtgA1 ILE 131 HD13 -0.06 0.04 -0.03 -0.04 0.88 0.80 3mtgA1 SER 132 H -0.10 0.35 -0.34 -0.55 8.46 7.82 3mtgA1 SER 132 HA -0.03 0.05 0.43 -0.75 4.49 4.17 3mtgA1 SER 132 HB2 -0.11 0.10 0.20 -0.04 3.95 4.10 3mtgA1 SER 132 HB3 -0.04 -0.01 0.03 -0.04 3.93 3.87 3mtgA1 LEU 133 H -0.10 0.38 -0.13 -0.55 8.37 7.97 3mtgA1 LEU 133 HA -0.00 0.02 0.30 -0.75 4.35 3.91 3mtgA1 LEU 133 HB2 -0.18 0.02 0.12 -0.04 1.64 1.56 3mtgA1 LEU 133 HB3 -0.09 0.03 0.18 -0.04 1.64 1.72 3mtgA1 LEU 133 HG -0.02 0.04 -0.20 -0.04 1.64 1.42 3mtgA1 LEU 133 HD13 0.04 -0.00 -0.00 -0.04 0.93 0.93 3mtgA1 LEU 133 HD23 -0.07 -0.04 -0.01 -0.04 0.89 0.72 3mtgA1 ARG 134 H -0.04 0.42 -0.43 -0.55 8.46 7.86 3mtgA1 ARG 134 HA -0.01 0.03 0.40 -0.75 4.34 4.00 3mtgA1 ARG 134 HB2 -0.04 0.05 0.13 -0.04 1.90 2.00 3mtgA1 ARG 134 HB3 -0.04 0.16 0.25 -0.04 1.80 2.13 3mtgA1 ARG 134 HG2 -0.02 0.02 -0.08 -0.04 1.67 1.55 3mtgA1 ARG 134 HG3 -0.03 -0.01 0.03 -0.04 1.67 1.62 3mtgA1 ARG 134 HD2 -0.04 -0.00 0.03 -0.04 3.22 3.16 3mtgA1 ARG 134 HD3 -0.04 0.00 -0.04 -0.04 3.22 3.10 3mtgA1 LYS 135 H -0.02 0.69 0.08 -0.55 8.42 8.62 3mtgA1 LYS 135 HA -0.00 -0.04 0.31 -0.75 4.32 3.84 3mtgA1 LYS 135 HB2 -0.02 -0.04 0.13 -0.04 1.87 1.91 3mtgA1 LYS 135 HB3 -0.01 0.07 0.21 -0.04 1.79 2.02 3mtgA1 LYS 135 HG2 0.00 0.04 -0.22 -0.04 1.46 1.25 3mtgA1 LYS 135 HG3 -0.00 -0.05 0.01 -0.04 1.46 1.37 3mtgA1 LYS 135 HD2 -0.01 -0.04 -0.03 -0.04 1.69 1.57 3mtgA1 LYS 135 HD3 0.00 0.01 -0.03 -0.04 1.68 1.62 3mtgA1 LYS 135 HE2 0.01 0.03 -0.06 -0.04 2.99 2.92 3mtgA1 LYS 135 HE3 -0.00 -0.03 -0.03 -0.04 2.99 2.89 3mtgA1 ARG 136 H 0.03 0.66 -0.15 -0.55 8.46 8.44 3mtgA1 ARG 136 HA 0.03 0.04 0.49 -0.75 4.34 4.14 3mtgA1 ARG 136 HB2 0.11 0.03 0.03 -0.04 1.90 2.03 3mtgA1 ARG 136 HB3 0.10 -0.05 -0.02 -0.04 1.80 1.80 3mtgA1 ARG 136 HG2 0.07 -0.04 -0.00 -0.04 1.67 1.65 3mtgA1 ARG 136 HG3 0.04 -0.03 -0.02 -0.04 1.67 1.62 3mtgA1 ARG 136 HD2 0.08 0.01 -0.33 -0.04 3.22 2.95 3mtgA1 ARG 136 HD3 0.18 -0.04 -0.08 -0.04 3.22 3.24 3mtgA1 ALA 137 H 0.04 0.39 -0.14 -0.55 8.40 8.14 3mtgA1 ALA 137 HA 0.04 0.15 0.82 -0.75 4.34 4.60 3mtgA1 ALA 137 HB3 0.06 -0.01 0.09 -0.04 1.41 1.51 3mtgA1 GLN 138 H 0.02 0.32 -0.09 -0.55 8.47 8.17 3mtgA1 GLN 138 HA 0.01 0.02 0.48 -0.75 4.36 4.11 3mtgA1 GLN 138 HB2 0.00 -0.05 0.12 -0.04 2.15 2.18 3mtgA1 GLN 138 HB3 0.00 0.10 0.03 -0.04 2.02 2.11 3mtgA1 GLN 138 HG2 0.01 0.27 0.06 -0.04 2.40 2.70 3mtgA1 GLN 138 HG3 0.00 -0.06 -0.17 -0.04 2.39 2.12 3mtgA1 GLN 138 HE21 -0.01 -0.07 -0.04 -0.04 6.97 6.80 3mtgA1 GLN 138 HE22 -0.01 0.05 -0.04 -0.04 7.69 7.65 3mtgA1 GLY 139 H 0.01 0.19 0.18 -0.55 8.43 8.26 3mtgA1 GLY 139 HA2 0.01 0.00 0.40 -0.51 4.01 3.91 3mtgA1 GLY 139 HA3 0.01 0.14 0.51 -0.51 4.01 4.16 3mtgA1 GLU 140 H 0.02 0.38 -0.91 -0.55 8.60 7.53 3mtgA1 GLU 140 HA 0.02 0.10 0.67 -0.75 4.29 4.32 3mtgA1 GLU 140 HB2 0.02 0.21 0.02 -0.04 2.09 2.30 3mtgA1 GLU 140 HB3 0.02 -0.07 0.09 -0.04 1.99 1.99 3mtgA1 GLU 140 HG2 0.01 -0.08 -0.01 -0.04 2.34 2.21 3mtgA1 GLU 140 HG3 0.01 -0.05 -0.17 -0.04 2.34 2.09 3mtgA1 LYS 141 H 0.02 -0.12 -0.15 -0.55 8.42 7.62 3mtgA1 LYS 141 HA 0.02 0.03 0.27 -0.75 4.32 3.89 3mtgA1 LYS 141 HB2 0.03 0.05 -0.06 -0.04 1.87 1.85 3mtgA1 LYS 141 HB3 0.03 -0.02 0.03 -0.04 1.79 1.78 3mtgA1 LYS 141 HG2 0.02 0.03 -0.12 -0.04 1.46 1.34 3mtgA1 LYS 141 HG3 0.02 -0.17 -0.05 -0.04 1.46 1.22 3mtgA1 LYS 141 HD2 0.02 0.07 -0.11 -0.04 1.69 1.63 3mtgA1 LYS 141 HD3 0.02 0.00 -0.03 -0.04 1.68 1.63 3mtgA1 LYS 141 HE2 0.01 0.02 0.00 -0.04 2.99 2.98 3mtgA1 LYS 141 HE3 0.01 -0.04 0.02 -0.04 2.99 2.94 3mtgA1 PRO 142 HA 0.08 0.18 0.54 -0.51 4.44 4.72 3mtgA1 PRO 142 HB2 0.08 -0.03 0.04 -0.04 2.28 2.34 3mtgA1 PRO 142 HB3 0.06 0.03 0.08 -0.04 2.02 2.15 3mtgA1 PRO 142 HG2 0.05 -0.05 0.01 -0.04 2.03 2.00 3mtgA1 PRO 142 HG3 0.05 -0.00 0.03 -0.04 2.03 2.07 3mtgA1 PRO 142 HD2 0.03 0.01 0.17 -0.04 3.68 3.84 3mtgA1 PRO 142 HD3 0.03 0.26 -0.07 -0.04 3.65 3.83 3mtgA1 LEU 143 H 0.03 0.52 -0.26 -0.55 8.37 8.11 3mtgA1 LEU 143 HA -0.16 0.20 0.68 -0.75 4.35 4.32 3mtgA1 LEU 143 HB2 -0.04 0.03 -0.20 -0.04 1.64 1.39 3mtgA1 LEU 143 HB3 -0.16 -0.13 0.02 -0.04 1.64 1.34 3mtgA1 LEU 143 HG 0.01 -0.00 -0.26 -0.04 1.64 1.35 3mtgA1 LEU 143 HD13 -0.01 -0.02 -0.07 -0.04 0.93 0.79 3mtgA1 LEU 143 HD23 -0.07 0.01 -0.23 -0.04 0.89 0.56 3mtgA1 ALA 144 H 0.06 0.46 -0.26 -0.55 8.40 8.11 3mtgA1 ALA 144 HA 0.01 0.08 0.42 -0.75 4.34 4.10 3mtgA1 ALA 144 HB3 0.05 0.00 0.12 -0.04 1.41 1.55 3mtgA1 GLY 145 H 0.00 0.25 0.19 -0.55 8.43 8.33 3mtgA1 GLY 145 HA2 0.03 -0.03 0.29 -0.51 4.01 3.79 3mtgA1 GLY 145 HA3 0.13 0.16 0.63 -0.51 4.01 4.41 3mtgA1 ALA 146 H -0.25 0.58 -0.15 -0.55 8.40 8.04 3mtgA1 ALA 146 HA -0.35 0.08 0.61 -0.75 4.34 3.93 3mtgA1 ALA 146 HB3 -0.68 -0.01 0.00 -0.04 1.41 0.68 3mtgA1 LYS 147 H -0.17 0.15 0.18 -0.55 8.42 8.02 3mtgA1 LYS 147 HA -0.04 0.28 0.92 -0.75 4.32 4.73 3mtgA1 LYS 147 HB2 -0.56 0.02 0.34 -0.04 1.87 1.63 3mtgA1 LYS 147 HB3 -1.69 -0.00 0.08 -0.04 1.79 0.14 3mtgA1 LYS 147 HG2 -0.44 0.01 -0.01 -0.04 1.46 0.99 3mtgA1 LYS 147 HG3 -0.30 0.08 -0.23 -0.04 1.46 0.98 3mtgA1 LYS 147 HD2 -0.49 0.09 0.10 -0.04 1.69 1.34 3mtgA1 LYS 147 HD3 -1.32 -0.11 0.06 -0.04 1.68 0.26 3mtgA1 LYS 147 HE2 -0.04 -0.02 0.01 -0.04 2.99 2.89 3mtgA1 LYS 147 HE3 -0.12 0.01 0.00 -0.04 2.99 2.84 3mtgA1 ILE 148 H 0.25 0.61 0.13 -0.55 8.25 8.69 3mtgA1 ILE 148 HA 0.07 0.18 0.93 -0.75 4.18 4.62 3mtgA1 ILE 148 HB 0.12 -0.06 -0.18 -0.04 1.89 1.72 3mtgA1 ILE 148 HG12 0.16 0.06 -0.21 -0.04 1.49 1.46 3mtgA1 ILE 148 HG13 0.30 0.02 0.07 -0.04 1.21 1.56 3mtgA1 ILE 148 HG23 0.02 -0.01 -0.20 -0.04 0.93 0.70 3mtgA1 ILE 148 HD13 0.44 -0.03 -0.20 -0.04 0.88 1.05 3mtgA1 VAL 149 H 0.04 0.62 0.32 -0.55 8.24 8.67 3mtgA1 VAL 149 HA 0.00 0.31 0.80 -0.75 4.13 4.49 3mtgA1 VAL 149 HB 0.07 0.07 0.17 -0.04 2.12 2.39 3mtgA1 VAL 149 HG13 -0.03 -0.05 -0.11 -0.04 0.97 0.74 3mtgA1 VAL 149 HG23 0.30 0.02 -0.17 -0.04 0.95 1.06 3mtgA1 GLY 150 H -0.56 0.64 0.27 -0.55 8.43 8.23 3mtgA1 GLY 150 HA2 -0.78 0.22 1.00 -0.51 4.01 3.93 3mtgA1 GLY 150 HA3 -2.69 -0.05 0.25 -0.51 4.01 1.01 3mtgA1 CYS 151 H -0.48 0.53 0.18 -0.55 8.50 8.17 3mtgA1 CYS 151 HA -0.30 0.27 0.60 -0.75 4.58 4.39 3mtgA1 CYS 151 HB2 -0.25 0.17 -0.21 -0.04 2.97 2.64 3mtgA1 CYS 151 HB3 -0.16 -0.17 0.12 -0.04 2.97 2.72 3mtgA1 THR 152 H 0.09 0.68 0.21 -0.55 8.28 8.72 3mtgA1 THR 152 HA -0.05 0.05 0.66 -0.75 4.39 4.30 3mtgA1 THR 152 HB 0.49 0.11 -0.11 -0.04 4.32 4.77 3mtgA1 THR 152 HG23 0.15 -0.02 0.08 -0.04 1.22 1.39 3mtgA1 HIS 153 H -0.05 0.14 0.16 -0.55 8.41 8.11 3mtgA1 HIS 153 HA 0.06 -0.04 0.47 -0.75 4.63 4.36 3mtgA1 HIS 153 HB2 0.05 -0.01 0.07 -0.04 3.26 3.33 3mtgA1 HIS 153 HB3 0.04 0.11 -0.05 -0.04 3.20 3.25 3mtgA1 HIS 153 HD2 0.05 0.01 0.06 -0.04 6.97 7.05 3mtgA1 HIS 153 HE1 0.02 0.04 -0.02 -0.04 7.75 7.75 3mtgA1 ILE 154 H 0.13 0.11 -0.01 -0.55 8.25 7.93 3mtgA1 ILE 154 HA 0.04 0.20 0.80 -0.75 4.18 4.46 3mtgA1 ILE 154 HB 0.06 -0.11 0.07 -0.04 1.89 1.87 3mtgA1 ILE 154 HG12 0.12 -0.11 -0.08 -0.04 1.49 1.38 3mtgA1 ILE 154 HG13 0.12 0.03 -0.20 -0.04 1.21 1.12 3mtgA1 ILE 154 HG23 -0.02 0.02 -0.19 -0.04 0.93 0.70 3mtgA1 ILE 154 HD13 0.29 0.05 -0.39 -0.04 0.88 0.79 3mtgA1 THR 155 H 0.01 0.22 0.08 -0.55 8.28 8.04 3mtgA1 THR 155 HA -0.00 0.21 0.81 -0.75 4.39 4.65 3mtgA1 THR 155 HB -0.01 0.00 0.15 -0.04 4.32 4.42 3mtgA1 THR 155 HG23 0.01 0.03 -0.14 -0.04 1.22 1.08 3mtgA1 ALA 156 H -0.04 0.23 0.13 -0.55 8.40 8.18 3mtgA1 ALA 156 HA -0.08 0.10 0.33 -0.75 4.34 3.93 3mtgA1 ALA 156 HB3 -0.07 0.06 -0.03 -0.04 1.41 1.33 3mtgA1 GLN 157 H -0.04 -0.01 -0.29 -0.55 8.47 7.58 3mtgA1 GLN 157 HA -0.06 0.20 0.47 -0.75 4.36 4.21 3mtgA1 GLN 157 HB2 -0.03 -0.09 0.07 -0.04 2.15 2.06 3mtgA1 GLN 157 HB3 -0.04 0.07 -0.05 -0.04 2.02 1.96 3mtgA1 GLN 157 HG2 -0.04 0.03 0.01 -0.04 2.40 2.36 3mtgA1 GLN 157 HG3 -0.05 0.09 -0.02 -0.04 2.39 2.37 3mtgA1 GLN 157 HE21 -0.03 0.03 0.01 -0.04 6.97 6.94 3mtgA1 GLN 157 HE22 -0.03 0.07 -0.00 -0.04 7.69 7.69 3mtgA1 THR 158 H -0.03 -0.01 -0.08 -0.55 8.28 7.60 3mtgA1 THR 158 HA -0.05 0.07 0.32 -0.75 4.39 3.96 3mtgA1 THR 158 HB -0.05 -0.11 0.19 -0.04 4.32 4.30 3mtgA1 THR 158 HG23 -0.05 0.04 -0.07 -0.04 1.22 1.10 3mtgA1 ALA 159 H -0.12 0.53 -0.22 -0.55 8.40 8.04 3mtgA1 ALA 159 HA -0.26 -0.00 0.22 -0.75 4.34 3.54 3mtgA1 ALA 159 HB3 -0.13 0.04 -0.05 -0.04 1.41 1.23 3mtgA1 VAL 160 H -0.11 0.36 -0.45 -0.55 8.24 7.48 3mtgA1 VAL 160 HA -0.11 0.06 0.37 -0.75 4.13 3.71 3mtgA1 VAL 160 HB -0.09 0.09 0.10 -0.04 2.12 2.18 3mtgA1 VAL 160 HG13 -0.09 -0.00 -0.06 -0.04 0.97 0.78 3mtgA1 VAL 160 HG23 -0.09 0.06 0.02 -0.04 0.95 0.90 3mtgA1 LEU 161 H -0.12 0.34 -0.12 -0.55 8.37 7.92 3mtgA1 LEU 161 HA -0.08 0.07 0.38 -0.75 4.35 3.96 3mtgA1 LEU 161 HB2 -0.05 -0.06 0.07 -0.04 1.64 1.56 3mtgA1 LEU 161 HB3 -0.10 0.08 0.18 -0.04 1.64 1.76 3mtgA1 LEU 161 HG -0.04 0.03 -0.33 -0.04 1.64 1.26 3mtgA1 LEU 161 HD13 -0.00 0.01 -0.01 -0.04 0.93 0.89 3mtgA1 LEU 161 HD23 0.09 -0.03 -0.07 -0.04 0.89 0.84 3mtgA1 ILE 162 H -0.34 0.42 -0.06 -0.55 8.25 7.73 3mtgA1 ILE 162 HA -0.46 0.01 0.24 -0.75 4.18 3.21 3mtgA1 ILE 162 HB -0.47 0.06 0.01 -0.04 1.89 1.45 3mtgA1 ILE 162 HG12 -2.62 0.01 -0.13 -0.04 1.49 -1.29 3mtgA1 ILE 162 HG13 -1.30 -0.04 -0.10 -0.04 1.21 -0.27 3mtgA1 ILE 162 HG23 -0.39 0.01 -0.23 -0.04 0.93 0.27 3mtgA1 ILE 162 HD13 -0.93 -0.03 -0.29 -0.04 0.88 -0.40 3mtgA1 GLU 163 H -0.18 0.44 -0.41 -0.55 8.60 7.90 3mtgA1 GLU 163 HA -0.10 0.06 0.41 -0.75 4.29 3.90 3mtgA1 GLU 163 HB2 -0.11 0.07 0.08 -0.04 2.09 2.09 3mtgA1 GLU 163 HB3 -0.08 0.01 -0.02 -0.04 1.99 1.86 3mtgA1 GLU 163 HG2 -0.12 -0.02 -0.07 -0.04 2.34 2.09 3mtgA1 GLU 163 HG3 -0.14 0.11 -0.02 -0.04 2.34 2.24 3mtgA1 THR 164 H -0.09 0.44 -0.13 -0.55 8.28 7.95 3mtgA1 THR 164 HA -0.05 0.04 0.40 -0.75 4.39 4.03 3mtgA1 THR 164 HB -0.05 0.02 0.12 -0.04 4.32 4.37 3mtgA1 THR 164 HG23 -0.04 -0.01 -0.08 -0.04 1.22 1.05 3mtgA1 LEU 165 H -0.05 0.46 -0.23 -0.55 8.37 8.00 3mtgA1 LEU 165 HA -0.00 0.03 0.27 -0.75 4.35 3.90 3mtgA1 LEU 165 HB2 0.01 0.15 0.02 -0.04 1.64 1.77 3mtgA1 LEU 165 HB3 0.05 -0.02 -0.09 -0.04 1.64 1.54 3mtgA1 LEU 165 HG -0.01 0.22 -0.06 -0.04 1.64 1.75 3mtgA1 LEU 165 HD13 0.17 -0.04 -0.17 -0.04 0.93 0.85 3mtgA1 LEU 165 HD23 0.04 -0.01 -0.09 -0.04 0.89 0.79 3mtgA1 CYS 166 H -0.04 0.38 -0.17 -0.55 8.50 8.13 3mtgA1 CYS 166 HA 0.01 0.35 0.31 -0.75 4.58 4.49 3mtgA1 ALA 167 H -0.03 0.45 -0.34 -0.55 8.40 7.93 3mtgA1 ALA 167 HA -0.01 0.04 0.47 -0.75 4.34 4.09 3mtgA1 ALA 167 HB3 -0.02 -0.00 0.09 -0.04 1.41 1.44 3mtgA1 LEU 168 H -0.01 0.36 -0.32 -0.55 8.37 7.86 3mtgA1 LEU 168 HA 0.01 0.10 0.71 -0.75 4.35 4.42 3mtgA1 LEU 168 HB2 0.00 0.04 0.09 -0.04 1.64 1.73 3mtgA1 LEU 168 HB3 0.01 -0.13 0.14 -0.04 1.64 1.63 3mtgA1 LEU 168 HG -0.00 0.15 -0.08 -0.04 1.64 1.67 3mtgA1 LEU 168 HD13 0.01 -0.04 -0.15 -0.04 0.93 0.71 3mtgA1 LEU 168 HD23 0.02 0.04 -0.10 -0.04 0.89 0.80 3mtgA1 GLY 169 H 0.00 0.32 -0.60 -0.55 8.43 7.60 3mtgA1 GLY 169 HA2 0.01 0.05 0.23 -0.51 4.01 3.79 3mtgA1 GLY 169 HA3 0.01 0.03 0.46 -0.51 4.01 4.00 3mtgA1 ALA 170 H -0.01 0.22 -0.27 -0.55 8.40 7.79 3mtgA1 ALA 170 HA -0.03 0.21 0.44 -0.75 4.34 4.21 3mtgA1 ALA 170 HB3 0.00 -0.06 -0.20 -0.04 1.41 1.11 3mtgA1 GLN 171 H 0.11 0.60 0.28 -0.55 8.47 8.91 3mtgA1 GLN 171 HA 0.15 0.09 0.82 -0.75 4.36 4.67 3mtgA1 GLN 171 HB2 0.32 0.06 0.22 -0.04 2.15 2.70 3mtgA1 GLN 171 HB3 0.48 0.00 0.08 -0.04 2.02 2.53 3mtgA1 GLN 171 HG2 0.14 -0.00 0.07 -0.04 2.40 2.56 3mtgA1 GLN 171 HG3 0.12 0.11 -0.17 -0.04 2.39 2.41 3mtgA1 GLN 171 HE21 0.09 -0.04 0.01 -0.04 6.97 6.99 3mtgA1 GLN 171 HE22 0.08 0.07 0.00 -0.04 7.69 7.80 3mtgA1 CYS 172 H 0.13 0.17 0.11 -0.55 8.50 8.36 3mtgA1 CYS 172 HA 0.33 0.31 0.87 -0.75 4.58 5.33 3mtgA1 CYS 172 HB2 0.16 -0.07 -0.06 -0.04 2.97 2.96 3mtgA1 CYS 172 HB3 0.51 -0.09 -0.06 -0.04 2.97 3.30 3mtgA1 ARG 173 H 0.26 0.40 0.17 -0.55 8.46 8.73 3mtgA1 ARG 173 HA 0.07 0.19 0.70 -0.75 4.34 4.54 3mtgA1 ARG 173 HB2 -0.10 0.01 0.14 -0.04 1.90 1.90 3mtgA1 ARG 173 HB3 -0.13 0.02 0.11 -0.04 1.80 1.76 3mtgA1 ARG 173 HG2 -0.39 0.01 0.13 -0.04 1.67 1.38 3mtgA1 ARG 173 HG3 -1.12 -0.03 -0.37 -0.04 1.67 0.11 3mtgA1 ARG 173 HD2 -3.10 -0.05 -0.13 -0.04 3.22 -0.10 3mtgA1 ARG 173 HD3 -0.90 0.21 -0.02 -0.04 3.22 2.46 3mtgA1 TRP 174 H 0.33 0.50 0.12 -0.55 7.97 8.38 3mtgA1 TRP 174 HA 0.03 0.18 0.96 -0.75 4.62 5.04 3mtgA1 TRP 174 HB2 -0.00 0.01 -0.10 -0.04 3.23 3.10 3mtgA1 TRP 174 HB3 0.01 -0.11 -0.15 -0.04 3.23 2.94 3mtgA1 TRP 174 HD1 -0.00 0.07 -0.17 -0.04 7.22 7.08 3mtgA1 TRP 174 HE1 -0.01 -0.12 -0.16 -0.04 10.20 9.87 3mtgA1 TRP 174 HE3 0.02 0.00 -0.27 -0.04 7.59 7.30 3mtgA1 TRP 174 HZ2 0.00 -0.06 -0.15 -0.04 7.44 7.19 3mtgA1 TRP 174 HZ3 0.03 0.10 -0.19 -0.04 7.13 7.02 3mtgA1 TRP 174 HH2 0.01 0.04 -0.15 -0.04 7.19 7.04 3mtgA1 SER 175 H -0.41 0.36 0.27 -0.55 8.46 8.14 3mtgA1 SER 175 HA 0.06 0.19 0.67 -0.75 4.49 4.65 3mtgA1 SER 175 HB2 -0.16 0.18 -0.16 -0.04 3.95 3.77 3mtgA1 SER 175 HB3 -0.25 0.00 0.10 -0.04 3.93 3.75 3mtgA1 ALA 176 H -0.04 0.25 0.17 -0.55 8.40 8.23 3mtgA1 ALA 176 HA 0.06 0.42 0.85 -0.75 4.34 4.92 3mtgA1 ALA 176 HB3 -0.03 -0.02 0.11 -0.04 1.41 1.43 3mtgA1 CYS 177 H -0.09 0.11 -0.23 -0.55 8.50 7.74 3mtgA1 CYS 177 HA 0.04 0.16 0.53 -0.75 4.58 4.56 3mtgA1 CYS 177 HB2 -0.10 0.11 0.20 -0.04 2.97 3.14 3mtgA1 CYS 177 HB3 -0.11 0.04 -0.23 -0.04 2.97 2.63 3mtgA1 ASN 178 H -0.09 0.07 -0.18 -0.55 8.53 7.79 3mtgA1 ASN 178 HA -0.33 0.25 0.78 -0.75 4.76 4.72 3mtgA1 ASN 178 HB2 0.08 0.03 -0.09 -0.04 2.88 2.87 3mtgA1 ASN 178 HB3 0.09 -0.27 0.06 -0.04 2.79 2.63 3mtgA1 ASN 178 HD21 0.05 0.10 0.06 -0.04 7.03 7.19 3mtgA1 ASN 178 HD22 0.05 0.02 0.01 -0.04 7.74 7.78 3mtgA1 ILE 179 H -0.52 0.24 0.14 -0.55 8.25 7.56 3mtgA1 ILE 179 HA -0.36 0.18 0.60 -0.75 4.18 3.84 3mtgA1 ILE 179 HB -0.45 0.17 0.18 -0.04 1.89 1.74 3mtgA1 ILE 179 HG12 -0.79 -0.06 0.08 -0.04 1.49 0.67 3mtgA1 ILE 179 HG13 -1.88 -0.00 -0.13 -0.04 1.21 -0.84 3mtgA1 ILE 179 HG23 -0.56 0.00 -0.13 -0.04 0.93 0.20 3mtgA1 ILE 179 HD13 -0.44 0.05 -0.00 -0.04 0.88 0.45 3mtgA1 TYR 180 H -0.13 -0.11 -0.19 -0.55 8.29 7.30 3mtgA1 TYR 180 HA -0.02 0.13 1.04 -0.75 4.56 4.95 3mtgA1 TYR 180 HB2 -0.02 -0.00 -0.03 -0.04 3.06 2.97 3mtgA1 TYR 180 HB3 -0.01 0.10 0.05 -0.04 2.98 3.07 3mtgA1 TYR 180 HD2 -0.02 0.00 0.01 -0.04 7.15 7.10 3mtgA1 TYR 180 HE2 -0.03 0.05 -0.00 -0.04 6.85 6.82 3mtgA1 SER 181 H 0.09 -0.08 -0.03 -0.55 8.46 7.88 3mtgA1 SER 181 HA 0.07 0.20 0.32 -0.75 4.49 4.33 3mtgA1 SER 181 HB2 0.07 0.02 0.09 -0.04 3.95 4.09 3mtgA1 SER 181 HB3 0.20 0.03 0.09 -0.04 3.93 4.21 3mtgA1 THR 182 H 0.05 0.08 -0.47 -0.55 8.28 7.39 3mtgA1 THR 182 HA 0.07 0.04 0.37 -0.75 4.39 4.12 3mtgA1 THR 182 HB 0.06 -0.05 -0.43 -0.04 4.32 3.86 3mtgA1 THR 182 HG23 0.09 -0.01 -0.46 -0.04 1.22 0.80 3mtgA1 GLN 183 H 0.05 0.79 0.33 -0.55 8.47 9.09 3mtgA1 GLN 183 HA 0.06 0.15 0.76 -0.75 4.36 4.57 3mtgA1 GLN 183 HB2 0.02 -0.13 0.23 -0.04 2.15 2.22 3mtgA1 GLN 183 HB3 0.04 0.00 0.15 -0.04 2.02 2.17 3mtgA1 GLN 183 HG2 0.02 0.13 0.28 -0.04 2.40 2.79 3mtgA1 GLN 183 HG3 0.01 -0.12 0.15 -0.04 2.39 2.39 3mtgA1 GLN 183 HE21 0.04 0.08 -0.03 -0.04 6.97 7.02 3mtgA1 GLN 183 HE22 0.05 -0.08 0.06 -0.04 7.69 7.68 3mtgA1 ASN 184 H 0.09 0.33 0.08 -0.55 8.53 8.49 3mtgA1 ASN 184 HA 0.11 0.09 0.36 -0.75 4.76 4.57 3mtgA1 ASN 184 HB2 0.10 0.06 0.16 -0.04 2.88 3.16 3mtgA1 ASN 184 HB3 0.10 0.04 -0.06 -0.04 2.79 2.83 3mtgA1 ASN 184 HD21 0.23 -0.07 0.19 -0.04 7.03 7.34 3mtgA1 ASN 184 HD22 0.13 0.14 0.13 -0.04 7.74 8.10 3mtgA1 GLU 185 H 0.10 0.14 -0.17 -0.55 8.60 8.12 3mtgA1 GLU 185 HA 0.11 0.07 0.26 -0.75 4.29 3.98 3mtgA1 GLU 185 HB2 0.07 -0.03 0.02 -0.04 2.09 2.11 3mtgA1 GLU 185 HB3 0.20 0.07 -0.02 -0.04 1.99 2.20 3mtgA1 GLU 185 HG2 0.66 0.11 -0.01 -0.04 2.34 3.05 3mtgA1 GLU 185 HG3 0.24 0.03 0.02 -0.04 2.34 2.58 3mtgA1 VAL 186 H 0.00 0.16 -0.29 -0.55 8.24 7.56 3mtgA1 VAL 186 HA -0.07 0.10 0.33 -0.75 4.13 3.73 3mtgA1 VAL 186 HB -0.08 0.06 -0.09 -0.04 2.12 1.96 3mtgA1 VAL 186 HG13 -0.07 -0.01 -0.06 -0.04 0.97 0.79 3mtgA1 VAL 186 HG23 -0.04 0.06 -0.35 -0.04 0.95 0.58 3mtgA1 ALA 187 H 0.01 0.31 -0.23 -0.55 8.40 7.95 3mtgA1 ALA 187 HA -0.03 0.01 0.23 -0.75 4.34 3.79 3mtgA1 ALA 187 HB3 0.07 0.05 0.05 -0.04 1.41 1.54 3mtgA1 ALA 188 H -0.01 0.31 -0.47 -0.55 8.40 7.69 3mtgA1 ALA 188 HA -0.11 0.11 0.44 -0.75 4.34 4.03 3mtgA1 ALA 188 HB3 -0.01 0.02 -0.08 -0.04 1.41 1.30 3mtgA1 ALA 189 H -0.06 0.37 -0.00 -0.55 8.40 8.16 3mtgA1 ALA 189 HA -0.09 -0.00 0.36 -0.75 4.34 3.86 3mtgA1 ALA 189 HB3 -0.08 0.02 0.02 -0.04 1.41 1.33 3mtgA1 LEU 190 H -0.11 0.47 -0.35 -0.55 8.37 7.83 3mtgA1 LEU 190 HA -0.12 0.06 0.35 -0.75 4.35 3.88 3mtgA1 LEU 190 HB2 -0.12 0.08 -0.02 -0.04 1.64 1.54 3mtgA1 LEU 190 HB3 -0.14 -0.01 -0.13 -0.04 1.64 1.32 3mtgA1 LEU 190 HG -0.12 0.09 -0.11 -0.04 1.64 1.46 3mtgA1 LEU 190 HD13 -0.17 -0.05 -0.21 -0.04 0.93 0.45 3mtgA1 LEU 190 HD23 -0.17 -0.01 -0.09 -0.04 0.89 0.58 3mtgA1 ALA 191 H -0.22 0.33 -0.11 -0.55 8.40 7.86 3mtgA1 ALA 191 HA -0.32 0.36 0.51 -0.75 4.34 4.13 3mtgA1 ALA 191 HB3 -0.93 0.00 0.13 -0.04 1.41 0.57 3mtgA1 GLU 192 H -0.27 0.52 -0.09 -0.55 8.60 8.21 3mtgA1 GLU 192 HA -0.18 0.08 0.37 -0.75 4.29 3.81 3mtgA1 GLU 192 HB2 -0.14 -0.10 0.04 -0.04 2.09 1.85 3mtgA1 GLU 192 HB3 -0.13 0.02 0.08 -0.04 1.99 1.92 3mtgA1 GLU 192 HG2 -0.06 -0.18 -0.06 -0.04 2.34 1.99 3mtgA1 GLU 192 HG3 -0.07 0.09 -0.22 -0.04 2.34 2.10 3mtgA1 ALA 193 H -0.13 0.18 -0.35 -0.55 8.40 7.54 3mtgA1 ALA 193 HA -0.07 0.03 0.47 -0.75 4.34 4.02 3mtgA1 ALA 193 HB3 -0.09 -0.01 0.12 -0.04 1.41 1.39 3mtgA1 GLY 194 H -0.12 0.30 -0.50 -0.55 8.43 7.57 3mtgA1 GLY 194 HA2 -0.04 0.04 0.26 -0.51 4.01 3.76 3mtgA1 GLY 194 HA3 -0.03 0.12 0.77 -0.51 4.01 4.36 3mtgA1 VAL 195 H -0.09 0.23 -0.03 -0.55 8.24 7.81 3mtgA1 VAL 195 HA -0.03 0.07 0.44 -0.75 4.13 3.86 3mtgA1 VAL 195 HB -0.11 -0.05 -0.11 -0.04 2.12 1.82 3mtgA1 VAL 195 HG13 -0.05 -0.05 -0.30 -0.04 0.97 0.53 3mtgA1 VAL 195 HG23 -0.09 0.00 -0.10 -0.04 0.95 0.72 3mtgA1 ALA 196 H -0.02 0.31 0.11 -0.55 8.40 8.25 3mtgA1 ALA 196 HA -0.15 0.41 0.75 -0.75 4.34 4.60 3mtgA1 ALA 196 HB3 -0.02 0.02 0.21 -0.04 1.41 1.58 3mtgA1 VAL 197 H -0.17 0.42 -0.02 -0.55 8.24 7.91 3mtgA1 VAL 197 HA 0.10 0.06 0.69 -0.75 4.13 4.22 3mtgA1 VAL 197 HB -0.02 -0.03 -0.16 -0.04 2.12 1.86 3mtgA1 VAL 197 HG13 -0.08 0.06 0.02 -0.04 0.97 0.93 3mtgA1 VAL 197 HG23 0.10 -0.05 -0.15 -0.04 0.95 0.80 3mtgA1 PHE 198 H 0.25 0.42 0.05 -0.55 8.34 8.51 3mtgA1 PHE 198 HA 0.30 0.09 0.88 -0.75 4.62 5.15 3mtgA1 PHE 198 HB2 0.02 0.14 0.23 -0.04 3.15 3.50 3mtgA1 PHE 198 HB3 0.18 -0.08 0.16 -0.04 3.06 3.28 3mtgA1 PHE 198 HD2 0.10 0.05 -0.12 -0.04 7.28 7.26 3mtgA1 PHE 198 HE2 -0.06 0.04 -0.16 -0.04 7.38 7.17 3mtgA1 PHE 198 HZ -0.07 0.01 -0.22 -0.04 7.32 7.00 3mtgA1 ALA 199 H 0.34 0.38 0.06 -0.55 8.40 8.64 3mtgA1 ALA 199 HA -0.16 0.11 0.60 -0.75 4.34 4.13 3mtgA1 ALA 199 HB3 0.05 -0.02 -0.12 -0.04 1.41 1.28 3mtgA1 TRP 200 H -0.43 0.34 0.18 -0.55 7.97 7.51 3mtgA1 TRP 200 HA 0.06 -0.02 0.47 -0.75 4.62 4.37 3mtgA1 TRP 200 HB2 0.05 0.03 0.09 -0.04 3.23 3.36 3mtgA1 TRP 200 HB3 0.07 -0.01 -0.05 -0.04 3.23 3.19 3mtgA1 TRP 200 HD1 0.03 0.45 -0.41 -0.04 7.22 7.25 3mtgA1 TRP 200 HE1 0.00 0.07 -0.20 -0.04 10.20 10.04 3mtgA1 TRP 200 HE3 0.14 0.09 -0.44 -0.04 7.59 7.34 3mtgA1 TRP 200 HZ2 -0.04 -0.06 -0.04 -0.04 7.44 7.26 3mtgA1 TRP 200 HZ3 0.32 0.10 -0.19 -0.04 7.13 7.32 3mtgA1 TRP 200 HH2 0.02 0.04 -0.07 -0.04 7.19 7.14 3mtgA1 LYS 201 H 0.25 0.08 0.12 -0.55 8.42 8.32 3mtgA1 LYS 201 HA 0.05 -0.04 0.55 -0.75 4.32 4.12 3mtgA1 LYS 201 HB2 0.11 0.24 0.18 -0.04 1.87 2.37 3mtgA1 LYS 201 HB3 0.15 -0.04 0.16 -0.04 1.79 2.01 3mtgA1 LYS 201 HG2 0.14 -0.05 0.14 -0.04 1.46 1.65 3mtgA1 LYS 201 HG3 0.11 0.22 0.13 -0.04 1.46 1.88 3mtgA1 LYS 201 HD2 0.08 0.02 0.04 -0.04 1.69 1.79 3mtgA1 LYS 201 HD3 0.09 -0.06 0.05 -0.04 1.68 1.72 3mtgA1 LYS 201 HE2 0.12 -0.03 -0.11 -0.04 2.99 2.93 3mtgA1 LYS 201 HE3 0.12 0.01 -0.08 -0.04 2.99 3.00 3mtgA1 GLY 202 H 0.07 0.26 0.37 -0.55 8.43 8.58 3mtgA1 GLY 202 HA2 0.14 0.03 0.40 -0.51 4.01 4.08 3mtgA1 GLY 202 HA3 0.18 0.09 0.55 -0.51 4.01 4.32 3mtgA1 GLU 203 H -0.15 0.35 0.29 -0.55 8.60 8.54 3mtgA1 GLU 203 HA 0.13 0.12 0.67 -0.75 4.29 4.45 3mtgA1 GLU 203 HB2 -0.35 -0.05 0.21 -0.04 2.09 1.86 3mtgA1 GLU 203 HB3 -0.22 0.06 -0.01 -0.04 1.99 1.78 3mtgA1 GLU 203 HG2 -0.56 -0.05 -0.07 -0.04 2.34 1.62 3mtgA1 GLU 203 HG3 -1.45 0.07 -0.10 -0.04 2.34 0.82 3mtgA1 SER 204 H 0.08 0.07 0.20 -0.55 8.46 8.26 3mtgA1 SER 204 HA 0.00 0.25 0.75 -0.75 4.49 4.73 3mtgA1 SER 204 HB2 0.06 -0.01 0.20 -0.04 3.95 4.16 3mtgA1 SER 204 HB3 0.07 0.18 0.10 -0.04 3.93 4.24 3mtgA1 GLU 205 H 0.05 0.24 0.17 -0.55 8.60 8.51 3mtgA1 GLU 205 HA 0.04 0.09 0.46 -0.75 4.29 4.12 3mtgA1 GLU 205 HB2 0.12 0.02 0.15 -0.04 2.09 2.34 3mtgA1 GLU 205 HB3 0.25 0.07 0.05 -0.04 1.99 2.32 3mtgA1 GLU 205 HG2 0.03 0.00 0.05 -0.04 2.34 2.37 3mtgA1 GLU 205 HG3 0.00 -0.02 0.07 -0.04 2.34 2.34 3mtgA1 ASP 206 H 0.13 0.07 -0.11 -0.55 8.40 7.95 3mtgA1 ASP 206 HA 0.28 0.16 0.45 -0.75 4.63 4.77 3mtgA1 ASP 206 HB2 0.11 -0.03 0.06 -0.04 2.71 2.81 3mtgA1 ASP 206 HB3 0.14 0.10 0.01 -0.04 2.70 2.90 3mtgA1 ASP 207 H 0.12 0.00 -0.22 -0.55 8.40 7.76 3mtgA1 ASP 207 HA 0.20 0.15 0.46 -0.75 4.63 4.68 3mtgA1 ASP 207 HB2 0.09 -0.08 0.18 -0.04 2.71 2.86 3mtgA1 ASP 207 HB3 0.20 0.08 0.02 -0.04 2.70 2.95 3mtgA1 PHE 208 H 0.08 0.40 -0.24 -0.55 8.34 8.03 3mtgA1 PHE 208 HA -0.35 0.02 0.38 -0.75 4.62 3.92 3mtgA1 PHE 208 HB2 -0.36 -0.01 0.03 -0.04 3.15 2.78 3mtgA1 PHE 208 HB3 -0.46 0.21 0.11 -0.04 3.06 2.88 3mtgA1 PHE 208 HD2 -0.86 0.03 -0.05 -0.04 7.28 6.36 3mtgA1 PHE 208 HE2 -0.69 0.08 -0.05 -0.04 7.38 6.68 3mtgA1 PHE 208 HZ -0.46 -0.08 -0.02 -0.04 7.32 6.71 3mtgA1 TRP 209 H 0.04 0.30 -0.29 -0.55 7.97 7.47 3mtgA1 TRP 209 HA -0.75 0.06 0.62 -0.75 4.62 3.79 3mtgA1 TRP 209 HB2 -0.13 0.10 0.08 -0.04 3.23 3.24 3mtgA1 TRP 209 HB3 -0.60 0.02 0.08 -0.04 3.23 2.69 3mtgA1 TRP 209 HD1 0.08 0.16 0.04 -0.04 7.22 7.46 3mtgA1 TRP 209 HE1 0.19 -0.04 -0.01 -0.04 10.20 10.30 3mtgA1 TRP 209 HE3 -1.04 -0.00 0.01 -0.04 7.59 6.51 3mtgA1 TRP 209 HZ2 0.21 -0.02 -0.03 -0.04 7.44 7.57 3mtgA1 TRP 209 HZ3 -0.04 0.11 -0.09 -0.04 7.13 7.07 3mtgA1 TRP 209 HH2 0.15 -0.07 -0.01 -0.04 7.19 7.22 3mtgA1 TRP 210 H 0.21 0.23 -0.32 -0.55 7.97 7.55 3mtgA1 TRP 210 HA -0.03 0.10 0.49 -0.75 4.62 4.43 3mtgA1 TRP 210 HB2 0.06 0.05 0.12 -0.04 3.23 3.42 3mtgA1 TRP 210 HB3 0.05 0.12 0.20 -0.04 3.23 3.57 3mtgA1 TRP 210 HD1 0.06 -0.00 0.00 -0.04 7.22 7.24 3mtgA1 TRP 210 HE1 0.04 0.02 -0.03 -0.04 10.20 10.19 3mtgA1 TRP 210 HE3 0.18 0.01 -0.13 -0.04 7.59 7.60 3mtgA1 TRP 210 HZ2 0.04 0.03 -0.04 -0.04 7.44 7.43 3mtgA1 TRP 210 HZ3 0.40 -0.02 -0.07 -0.04 7.13 7.40 3mtgA1 TRP 210 HH2 0.15 0.04 -0.05 -0.04 7.19 7.29 3mtgA1 CYS 211 H 0.10 0.36 -0.04 -0.55 8.50 8.37 3mtgA1 CYS 211 HA -0.32 0.10 0.47 -0.75 4.58 4.07 3mtgA1 CYS 211 HB2 -0.16 -0.04 0.16 -0.04 2.97 2.89 3mtgA1 CYS 211 HB3 0.01 0.21 0.17 -0.04 2.97 3.32 3mtgA1 ILE 212 H -0.44 0.27 -0.16 -0.55 8.25 7.36 3mtgA1 ILE 212 HA -0.35 0.02 0.40 -0.75 4.18 3.50 3mtgA1 ILE 212 HB -0.73 0.06 0.16 -0.04 1.89 1.34 3mtgA1 ILE 212 HG12 -0.45 -0.10 -0.02 -0.04 1.49 0.89 3mtgA1 ILE 212 HG13 -0.69 0.05 0.07 -0.04 1.21 0.60 3mtgA1 ILE 212 HG23 -0.59 0.00 -0.11 -0.04 0.93 0.19 3mtgA1 ILE 212 HD13 -1.39 -0.01 -0.11 -0.04 0.88 -0.68 3mtgA1 ASP 213 H -0.49 0.36 -0.34 -0.55 8.40 7.38 3mtgA1 ASP 213 HA 0.15 -0.02 0.26 -0.75 4.63 4.26 3mtgA1 ASP 213 HB2 -0.08 0.07 0.14 -0.04 2.71 2.80 3mtgA1 ASP 213 HB3 -0.17 0.12 0.08 -0.04 2.70 2.69 3mtgA1 ARG 214 H -0.59 0.28 -0.29 -0.55 8.46 7.30 3mtgA1 ARG 214 HA -0.56 0.06 0.42 -0.75 4.34 3.50 3mtgA1 ARG 214 HB2 -0.99 0.01 0.20 -0.04 1.90 1.09 3mtgA1 ARG 214 HB3 -1.50 -0.01 -0.06 -0.04 1.80 0.20 3mtgA1 ARG 214 HG2 -1.97 0.09 0.02 -0.04 1.67 -0.23 3mtgA1 ARG 214 HG3 -1.70 -0.10 -0.02 -0.04 1.67 -0.19 3mtgA1 ARG 214 HD2 -0.57 0.05 0.03 -0.04 3.22 2.68 3mtgA1 ARG 214 HD3 -0.55 -0.08 -0.01 -0.04 3.22 2.54 3mtgA1 CYS 215 H -0.37 0.34 -0.30 -0.55 8.50 7.62 3mtgA1 CYS 215 HA -0.24 0.02 0.34 -0.75 4.58 3.94 3mtgA1 CYS 215 HB2 -0.17 0.18 0.12 -0.04 2.97 3.05 3mtgA1 CYS 215 HB3 -0.10 -0.08 -0.05 -0.04 2.97 2.70 3mtgA1 VAL 216 H -0.11 0.20 -0.19 -0.55 8.24 7.59 3mtgA1 VAL 216 HA -0.00 -0.02 0.31 -0.75 4.13 3.66 3mtgA1 VAL 216 HB -0.21 0.05 0.05 -0.04 2.12 1.97 3mtgA1 VAL 216 HG13 -0.40 -0.03 -0.07 -0.04 0.97 0.43 3mtgA1 VAL 216 HG23 0.23 0.02 -0.05 -0.04 0.95 1.12 3mtgA1 ASN 217 H -0.10 0.47 0.03 -0.55 8.53 8.38 3mtgA1 ASN 217 HA -0.02 0.23 1.00 -0.75 4.76 5.21 3mtgA1 ASN 217 HB2 0.08 -0.03 0.05 -0.04 2.88 2.94 3mtgA1 ASN 217 HB3 0.02 -0.06 -0.01 -0.04 2.79 2.69 3mtgA1 ASN 217 HD21 0.07 -0.05 -0.07 -0.04 7.03 6.94 3mtgA1 ASN 217 HD22 0.11 -0.02 -0.07 -0.04 7.74 7.72 3mtgA1 MET 218 H 0.08 0.38 0.22 -0.55 8.47 8.60 3mtgA1 MET 218 HA -0.01 -0.00 0.40 -0.75 4.52 4.15 3mtgA1 MET 218 HB2 -0.12 0.25 -0.26 -0.04 2.15 1.97 3mtgA1 MET 218 HB3 0.09 -0.02 -0.16 -0.04 2.03 1.89 3mtgA1 MET 218 HG2 0.01 -0.20 0.12 -0.04 2.63 2.52 3mtgA1 MET 218 HG3 -0.08 0.02 0.08 -0.04 2.56 2.54 3mtgA1 MET 218 HE3 0.01 -0.02 0.01 -0.04 2.10 2.05 3mtgA1 ASP 219 H 0.04 0.13 0.11 -0.55 8.40 8.14 3mtgA1 ASP 219 HA 0.06 0.02 0.54 -0.75 4.63 4.49 3mtgA1 ASP 219 HB2 0.04 -0.01 0.13 -0.04 2.71 2.83 3mtgA1 ASP 219 HB3 0.05 0.02 0.17 -0.04 2.70 2.89 3mtgA1 GLY 220 H 0.07 0.13 0.22 -0.55 8.43 8.31 3mtgA1 GLY 220 HA2 0.06 -0.00 0.31 -0.51 4.01 3.87 3mtgA1 GLY 220 HA3 0.09 0.05 0.38 -0.51 4.01 4.02 3mtgA1 TRP 221 H 0.22 0.36 -0.35 -0.55 7.97 7.66 3mtgA1 TRP 221 HA -0.00 0.16 0.92 -0.75 4.62 4.94 3mtgA1 TRP 221 HB2 0.01 0.01 -0.19 -0.04 3.23 3.01 3mtgA1 TRP 221 HB3 -0.02 -0.04 -0.11 -0.04 3.23 3.02 3mtgA1 TRP 221 HD1 -0.07 0.13 -0.31 -0.04 7.22 6.93 3mtgA1 TRP 221 HE1 -0.04 -0.03 -0.20 -0.04 10.20 9.90 3mtgA1 TRP 221 HE3 0.02 0.02 -0.05 -0.04 7.59 7.54 3mtgA1 TRP 221 HZ2 0.01 -0.03 -0.42 -0.04 7.44 6.97 3mtgA1 TRP 221 HZ3 0.03 -0.02 -0.04 -0.04 7.13 7.06 3mtgA1 TRP 221 HH2 0.03 0.19 -0.17 -0.04 7.19 7.20 3mtgA1 GLN 222 H -0.64 0.29 0.07 -0.55 8.47 7.64 3mtgA1 GLN 222 HA -0.21 0.09 0.73 -0.75 4.36 4.23 3mtgA1 GLN 222 HB2 -0.20 -0.00 0.04 -0.04 2.15 1.94 3mtgA1 GLN 222 HB3 -0.16 0.09 -0.02 -0.04 2.02 1.89 3mtgA1 GLN 222 HG2 -0.06 -0.01 -0.04 -0.04 2.40 2.25 3mtgA1 GLN 222 HG3 -0.06 0.13 -0.09 -0.04 2.39 2.33 3mtgA1 GLN 222 HE21 0.02 -0.09 -0.17 -0.04 6.97 6.69 3mtgA1 GLN 222 HE22 0.02 0.18 -0.32 -0.04 7.69 7.53 3mtgA1 ALA 223 H -0.22 0.13 0.09 -0.55 8.40 7.86 3mtgA1 ALA 223 HA -0.43 0.10 0.56 -0.75 4.34 3.82 3mtgA1 ALA 223 HB3 0.01 0.01 0.03 -0.04 1.41 1.41 3mtgA1 ASN 224 H -0.19 0.68 0.51 -0.55 8.53 8.98 3mtgA1 ASN 224 HA -0.07 0.19 0.75 -0.75 4.76 4.88 3mtgA1 ASN 224 HB2 -0.10 -0.23 0.24 -0.04 2.88 2.75 3mtgA1 ASN 224 HB3 0.05 0.03 0.01 -0.04 2.79 2.85 3mtgA1 ASN 224 HD21 0.10 0.17 0.12 -0.04 7.03 7.37 3mtgA1 ASN 224 HD22 0.37 -0.03 0.05 -0.04 7.74 8.09 3mtgA1 MET 225 H -0.04 0.35 0.27 -0.55 8.47 8.50 3mtgA1 MET 225 HA -0.02 0.30 0.91 -0.75 4.52 4.95 3mtgA1 MET 225 HB2 -0.00 -0.14 -0.10 -0.04 2.15 1.87 3mtgA1 MET 225 HB3 -0.00 0.03 -0.02 -0.04 2.03 2.01 3mtgA1 MET 225 HG2 -0.03 -0.12 -0.29 -0.04 2.63 2.15 3mtgA1 MET 225 HG3 -0.03 -0.01 -0.14 -0.04 2.56 2.33 3mtgA1 MET 225 HE3 0.04 -0.03 -0.13 -0.04 2.10 1.93 3mtgA1 ILE 226 H -0.03 0.46 0.26 -0.55 8.25 8.39 3mtgA1 ILE 226 HA -0.05 0.37 0.93 -0.75 4.18 4.67 3mtgA1 ILE 226 HB -0.01 -0.01 0.09 -0.04 1.89 1.92 3mtgA1 ILE 226 HG12 0.03 0.01 -0.10 -0.04 1.49 1.39 3mtgA1 ILE 226 HG13 -0.00 0.06 -0.43 -0.04 1.21 0.79 3mtgA1 ILE 226 HG23 0.01 -0.05 -0.25 -0.04 0.93 0.60 3mtgA1 ILE 226 HD13 0.08 -0.00 -0.13 -0.04 0.88 0.79 3mtgA1 LEU 227 H -0.15 0.58 0.23 -0.55 8.37 8.48 3mtgA1 LEU 227 HA -0.01 0.33 1.02 -0.75 4.35 4.93 3mtgA1 LEU 227 HB2 0.05 0.09 -0.02 -0.04 1.64 1.71 3mtgA1 LEU 227 HB3 -0.11 -0.06 0.11 -0.04 1.64 1.54 3mtgA1 LEU 227 HG 0.08 -0.09 -0.22 -0.04 1.64 1.37 3mtgA1 LEU 227 HD13 0.07 0.06 -0.01 -0.04 0.93 1.01 3mtgA1 LEU 227 HD23 0.39 -0.01 -0.12 -0.04 0.89 1.10 3mtgA1 ASP 228 H -0.01 0.58 0.32 -0.55 8.40 8.74 3mtgA1 ASP 228 HA -0.07 0.31 1.04 -0.75 4.63 5.15 3mtgA1 ASP 228 HB2 -0.00 0.18 -0.10 -0.04 2.71 2.74 3mtgA1 ASP 228 HB3 0.02 -0.11 0.04 -0.04 2.70 2.61 3mtgA1 ASP 229 H -0.02 0.39 0.15 -0.55 8.40 8.37 3mtgA1 ASP 229 HA 0.03 -0.16 0.72 -0.75 4.63 4.46 3mtgA1 ASP 229 HB2 0.03 0.11 0.06 -0.04 2.71 2.87 3mtgA1 ASP 229 HB3 -0.04 0.09 0.35 -0.04 2.70 3.07 3mtgA1 GLY 230 H 0.03 0.07 0.07 -0.55 8.43 8.05 3mtgA1 GLY 230 HA2 0.04 0.03 0.38 -0.51 4.01 3.96 3mtgA1 GLY 230 HA3 0.03 0.29 0.84 -0.51 4.01 4.66 3mtgA1 GLY 231 H 0.05 0.09 0.04 -0.55 8.43 8.07 3mtgA1 GLY 231 HA2 0.08 0.07 0.34 -0.51 4.01 3.99 3mtgA1 GLY 231 HA3 0.09 0.26 0.61 -0.51 4.01 4.45 3mtgA1 ASP 232 H 0.12 0.07 -0.28 -0.55 8.40 7.76 3mtgA1 ASP 232 HA 0.36 0.16 0.37 -0.75 4.63 4.76 3mtgA1 ASP 232 HB2 0.09 -0.05 0.06 -0.04 2.71 2.77 3mtgA1 ASP 232 HB3 0.18 0.11 -0.03 -0.04 2.70 2.92 3mtgA1 LEU 233 H 0.07 -0.03 -0.15 -0.55 8.37 7.72 3mtgA1 LEU 233 HA 0.18 0.19 0.44 -0.75 4.35 4.39 3mtgA1 LEU 233 HB2 -0.10 0.04 -0.02 -0.04 1.64 1.52 3mtgA1 LEU 233 HB3 -0.01 -0.15 -0.02 -0.04 1.64 1.42 3mtgA1 LEU 233 HG 0.08 0.02 -0.30 -0.04 1.64 1.41 3mtgA1 LEU 233 HD13 -0.08 0.03 -0.10 -0.04 0.93 0.74 3mtgA1 LEU 233 HD23 -0.11 0.00 -0.28 -0.04 0.89 0.46 3mtgA1 THR 234 H 0.16 -0.09 -0.34 -0.55 8.28 7.45 3mtgA1 THR 234 HA 0.25 0.16 0.38 -0.75 4.39 4.42 3mtgA1 THR 234 HB 0.15 0.09 0.10 -0.04 4.32 4.62 3mtgA1 THR 234 HG23 0.22 0.04 -0.11 -0.04 1.22 1.33 3mtgA1 HIS 235 H 0.31 0.49 -0.06 -0.55 8.41 8.60 3mtgA1 HIS 235 HA 0.10 0.09 0.32 -0.75 4.63 4.39 3mtgA1 HIS 235 HB2 0.13 0.00 0.07 -0.04 3.26 3.42 3mtgA1 HIS 235 HB3 0.22 0.04 0.05 -0.04 3.20 3.47 3mtgA1 HIS 235 HD2 0.07 -0.00 -0.11 -0.04 6.97 6.89 3mtgA1 HIS 235 HE1 0.08 0.04 -0.03 -0.04 7.75 7.79 3mtgA1 TRP 236 H 0.47 0.18 -0.52 -0.55 7.97 7.55 3mtgA1 TRP 236 HA -0.01 0.04 0.40 -0.75 4.62 4.30 3mtgA1 TRP 236 HB2 0.31 0.04 0.11 -0.04 3.23 3.65 3mtgA1 TRP 236 HB3 0.17 0.13 0.14 -0.04 3.23 3.63 3mtgA1 TRP 236 HD1 0.14 0.06 -0.23 -0.04 7.22 7.15 3mtgA1 TRP 236 HE1 0.27 0.05 -0.08 -0.04 10.20 10.40 3mtgA1 TRP 236 HE3 -0.33 -0.03 -0.01 -0.04 7.59 7.19 3mtgA1 TRP 236 HZ2 0.04 0.04 0.00 -0.04 7.44 7.48 3mtgA1 TRP 236 HZ3 -0.42 -0.03 -0.01 -0.04 7.13 6.63 3mtgA1 TRP 236 HH2 -0.06 -0.00 -0.01 -0.04 7.19 7.08 3mtgA1 VAL 237 H 0.32 0.50 -0.06 -0.55 8.24 8.46 3mtgA1 VAL 237 HA 0.23 0.01 0.38 -0.75 4.13 3.99 3mtgA1 VAL 237 HB 0.35 0.01 0.09 -0.04 2.12 2.53 3mtgA1 VAL 237 HG13 0.25 0.01 -0.09 -0.04 0.97 1.10 3mtgA1 VAL 237 HG23 0.22 0.06 -0.02 -0.04 0.95 1.17 3mtgA1 TYR 238 H 0.01 0.55 -0.20 -0.55 8.29 8.11 3mtgA1 TYR 238 HA -1.10 0.03 0.24 -0.75 4.56 2.99 3mtgA1 TYR 238 HB2 -1.12 -0.03 0.02 -0.04 3.06 1.89 3mtgA1 TYR 238 HB3 -0.43 -0.01 0.09 -0.04 2.98 2.59 3mtgA1 TYR 238 HD2 -0.84 0.00 -0.03 -0.04 7.15 6.24 3mtgA1 TYR 238 HE2 -0.13 0.05 -0.01 -0.04 6.85 6.71 3mtgA1 LYS 239 H -0.32 0.29 -0.31 -0.55 8.42 7.53 3mtgA1 LYS 239 HA -0.55 0.16 0.74 -0.75 4.32 3.91 3mtgA1 LYS 239 HB2 -0.44 0.06 0.11 -0.04 1.87 1.56 3mtgA1 LYS 239 HB3 -0.40 -0.05 -0.01 -0.04 1.79 1.30 3mtgA1 LYS 239 HG2 -0.51 0.03 -0.07 -0.04 1.46 0.87 3mtgA1 LYS 239 HG3 -0.45 0.01 -0.06 -0.04 1.46 0.91 3mtgA1 LYS 239 HD2 -0.46 -0.05 -0.03 -0.04 1.69 1.11 3mtgA1 LYS 239 HD3 -0.24 -0.01 -0.02 -0.04 1.68 1.37 3mtgA1 LYS 239 HE2 -0.13 0.04 -0.03 -0.04 2.99 2.82 3mtgA1 LYS 239 HE3 -0.01 -0.02 -0.04 -0.04 2.99 2.87 3mtgA1 LYS 240 H -0.55 0.67 0.10 -0.55 8.42 8.08 3mtgA1 LYS 240 HA -0.62 0.07 0.60 -0.75 4.32 3.62 3mtgA1 LYS 240 HB2 -1.64 -0.03 0.14 -0.04 1.87 0.30 3mtgA1 LYS 240 HB3 -0.97 0.00 -0.00 -0.04 1.79 0.78 3mtgA1 LYS 240 HG2 -0.83 -0.03 -0.01 -0.04 1.46 0.54 3mtgA1 LYS 240 HG3 -0.81 0.02 0.08 -0.04 1.46 0.70 3mtgA1 LYS 240 HD2 -0.71 0.02 0.00 -0.04 1.69 0.96 3mtgA1 LYS 240 HD3 -1.73 -0.05 0.00 -0.04 1.68 -0.14 3mtgA1 LYS 240 HE2 -0.14 -0.01 -0.00 -0.04 2.99 2.79 3mtgA1 LYS 240 HE3 -0.31 0.02 0.01 -0.04 2.99 2.68 3mtgA1 TYR 241 H -0.10 0.39 -0.10 -0.55 8.29 7.92 3mtgA1 TYR 241 HA -0.12 0.17 0.85 -0.75 4.56 4.71 3mtgA1 TYR 241 HB2 -0.01 0.01 0.21 -0.04 3.06 3.23 3mtgA1 TYR 241 HB3 -0.02 -0.10 0.14 -0.04 2.98 2.96 3mtgA1 TYR 241 HD2 -0.08 -0.01 -0.05 -0.04 7.15 6.97 3mtgA1 TYR 241 HE2 0.15 -0.03 -0.07 -0.04 6.85 6.86 3mtgA1 PRO 242 HA -0.02 0.14 0.43 -0.51 4.44 4.48 3mtgA1 PRO 242 HB2 -0.08 -0.03 -0.00 -0.04 2.28 2.13 3mtgA1 PRO 242 HB3 -0.17 0.07 0.12 -0.04 2.02 2.00 3mtgA1 PRO 242 HG2 -0.19 -0.01 0.03 -0.04 2.03 1.83 3mtgA1 PRO 242 HG3 -0.30 0.22 0.00 -0.04 2.03 1.91 3mtgA1 PRO 242 HD2 -0.12 0.02 0.06 -0.04 3.68 3.59 3mtgA1 PRO 242 HD3 -0.23 0.24 -0.55 -0.04 3.65 3.07 3mtgA1 ASN 243 H 0.02 0.13 -0.24 -0.55 8.53 7.90 3mtgA1 ASN 243 HA 0.03 0.10 0.39 -0.75 4.76 4.53 3mtgA1 ASN 243 HB2 0.04 -0.01 0.02 -0.04 2.88 2.88 3mtgA1 ASN 243 HB3 0.02 0.05 0.00 -0.04 2.79 2.82 3mtgA1 ASN 243 HD21 -0.02 0.01 0.00 -0.04 7.03 6.98 3mtgA1 ASN 243 HD22 -0.00 0.01 0.01 -0.04 7.74 7.72 3mtgA1 VAL 244 H 0.11 0.15 -0.26 -0.55 8.24 7.69 3mtgA1 VAL 244 HA 0.02 0.13 0.53 -0.75 4.13 4.06 3mtgA1 VAL 244 HB 0.09 0.09 0.13 -0.04 2.12 2.39 3mtgA1 VAL 244 HG13 -0.04 0.01 -0.05 -0.04 0.97 0.85 3mtgA1 VAL 244 HG23 0.01 -0.01 0.02 -0.04 0.95 0.93 3mtgA1 PHE 245 H 0.23 0.40 -0.15 -0.55 8.34 8.26 3mtgA1 PHE 245 HA 0.03 -0.04 0.23 -0.75 4.62 4.09 3mtgA1 PHE 245 HB2 0.06 0.13 -0.16 -0.04 3.15 3.13 3mtgA1 PHE 245 HB3 0.04 0.19 0.09 -0.04 3.06 3.34 3mtgA1 PHE 245 HD2 0.11 0.01 -0.15 -0.04 7.28 7.21 3mtgA1 PHE 245 HE2 0.09 -0.07 -0.01 -0.04 7.38 7.36 3mtgA1 PHE 245 HZ -0.03 -0.08 -0.05 -0.04 7.32 7.11 3mtgA1 LYS 246 H 0.14 0.37 -0.22 -0.55 8.42 8.15 3mtgA1 LYS 246 HA 0.00 0.02 0.40 -0.75 4.32 3.99 3mtgA1 LYS 246 HB2 0.03 -0.02 0.06 -0.04 1.87 1.91 3mtgA1 LYS 246 HB3 0.10 -0.02 0.08 -0.04 1.79 1.90 3mtgA1 LYS 246 HG2 0.05 0.02 0.08 -0.04 1.46 1.58 3mtgA1 LYS 246 HG3 0.02 0.09 -0.15 -0.04 1.46 1.37 3mtgA1 LYS 246 HD2 0.02 -0.03 -0.02 -0.04 1.69 1.62 3mtgA1 LYS 246 HD3 0.03 -0.06 -0.02 -0.04 1.68 1.59 3mtgA1 LYS 246 HE2 0.02 -0.03 0.09 -0.04 2.99 3.02 3mtgA1 LYS 246 HE3 0.01 0.03 -0.00 -0.04 2.99 2.99 3mtgA1 LYS 247 H -0.01 0.27 -0.54 -0.55 8.42 7.58 3mtgA1 LYS 247 HA -0.04 0.09 0.58 -0.75 4.32 4.20 3mtgA1 LYS 247 HB2 -0.03 0.12 0.13 -0.04 1.87 2.06 3mtgA1 LYS 247 HB3 -0.04 -0.06 0.13 -0.04 1.79 1.78 3mtgA1 LYS 247 HG2 -0.02 -0.04 -0.01 -0.04 1.46 1.34 3mtgA1 LYS 247 HG3 -0.00 -0.01 -0.06 -0.04 1.46 1.35 3mtgA1 LYS 247 HD2 -0.01 0.01 0.02 -0.04 1.69 1.67 3mtgA1 LYS 247 HD3 -0.02 -0.05 0.01 -0.04 1.68 1.57 3mtgA1 LYS 247 HE2 -0.01 -0.05 -0.01 -0.04 2.99 2.89 3mtgA1 LYS 247 HE3 0.00 0.05 0.02 -0.04 2.99 3.02 3mtgA1 ILE 248 H -0.12 0.20 -0.30 -0.55 8.25 7.47 3mtgA1 ILE 248 HA -0.08 0.14 0.63 -0.75 4.18 4.12 3mtgA1 ILE 248 HB -0.23 0.10 0.06 -0.04 1.89 1.78 3mtgA1 ILE 248 HG12 -0.06 -0.19 -0.44 -0.04 1.49 0.76 3mtgA1 ILE 248 HG13 -0.07 0.36 -0.18 -0.04 1.21 1.28 3mtgA1 ILE 248 HG23 -0.11 -0.02 -0.23 -0.04 0.93 0.52 3mtgA1 ILE 248 HD13 -0.02 -0.03 -0.26 -0.04 0.88 0.54 3mtgA1 ARG 249 H -0.03 0.41 0.38 -0.55 8.46 8.66 3mtgA1 ARG 249 HA -0.03 0.06 0.44 -0.75 4.34 4.05 3mtgA1 ARG 249 HB2 0.07 -0.02 0.11 -0.04 1.90 2.01 3mtgA1 ARG 249 HB3 0.02 0.09 0.06 -0.04 1.80 1.93 3mtgA1 ARG 249 HG2 -0.03 -0.01 0.10 -0.04 1.67 1.69 3mtgA1 ARG 249 HG3 0.01 -0.01 0.17 -0.04 1.67 1.79 3mtgA1 ARG 249 HD2 0.07 -0.08 0.09 -0.04 3.22 3.27 3mtgA1 ARG 249 HD3 -0.12 0.12 0.13 -0.04 3.22 3.32 3mtgA1 GLY 250 H -0.05 0.11 -0.20 -0.55 8.43 7.74 3mtgA1 GLY 250 HA2 -0.06 0.28 0.35 -0.51 4.01 4.07 3mtgA1 GLY 250 HA3 -0.04 0.04 0.42 -0.51 4.01 3.92 3mtgA1 ILE 251 H -0.06 0.66 0.32 -0.55 8.25 8.61 3mtgA1 ILE 251 HA -0.03 0.16 0.98 -0.75 4.18 4.54 3mtgA1 ILE 251 HB -0.05 -0.02 0.09 -0.04 1.89 1.87 3mtgA1 ILE 251 HG12 -0.07 -0.02 -0.11 -0.04 1.49 1.25 3mtgA1 ILE 251 HG13 -0.13 0.11 -0.22 -0.04 1.21 0.92 3mtgA1 ILE 251 HG23 0.01 -0.05 -0.16 -0.04 0.93 0.69 3mtgA1 ILE 251 HD13 -0.12 -0.00 -0.09 -0.04 0.88 0.63 3mtgA1 VAL 252 H -0.01 0.69 0.33 -0.55 8.24 8.70 3mtgA1 VAL 252 HA -0.01 0.18 0.93 -0.75 4.13 4.47 3mtgA1 VAL 252 HB 0.01 -0.01 0.20 -0.04 2.12 2.28 3mtgA1 VAL 252 HG13 0.02 -0.01 -0.03 -0.04 0.97 0.92 3mtgA1 VAL 252 HG23 -0.01 0.03 -0.32 -0.04 0.95 0.61 3mtgA1 GLU 253 H -0.00 0.57 0.27 -0.55 8.60 8.89 3mtgA1 GLU 253 HA 0.02 0.14 1.01 -0.75 4.29 4.71 3mtgA1 GLU 253 HB2 0.01 0.07 -0.13 -0.04 2.09 1.99 3mtgA1 GLU 253 HB3 -0.01 0.09 0.01 -0.04 1.99 2.05 3mtgA1 GLU 253 HG2 0.03 0.06 -0.54 -0.04 2.34 1.85 3mtgA1 GLU 253 HG3 0.04 0.06 -0.37 -0.04 2.34 2.02 3mtgA1 GLU 254 H 0.04 0.47 0.33 -0.55 8.60 8.89 3mtgA1 GLU 254 HA 0.05 0.09 0.54 -0.75 4.29 4.22 3mtgA1 GLU 254 HB2 0.05 0.24 0.28 -0.04 2.09 2.63 3mtgA1 GLU 254 HB3 0.06 -0.13 0.11 -0.04 1.99 1.99 3mtgA1 GLU 254 HG2 0.07 -0.00 -0.01 -0.04 2.34 2.35 3mtgA1 GLU 254 HG3 0.06 0.07 -0.02 -0.04 2.34 2.40 3mtgA1 SER 255 H 0.05 -0.09 0.12 -0.55 8.46 8.00 3mtgA1 SER 255 HA 0.07 0.18 0.47 -0.75 4.49 4.45 3mtgA1 SER 255 HB2 0.05 -0.19 0.06 -0.04 3.95 3.84 3mtgA1 SER 255 HB3 0.06 -0.02 0.03 -0.04 3.93 3.96 3mtgA1 VAL 256 H 0.07 0.18 0.19 -0.55 8.24 8.13 3mtgA1 VAL 256 HA 0.08 0.17 0.40 -0.75 4.13 4.02 3mtgA1 VAL 256 HB 0.06 -0.07 0.19 -0.04 2.12 2.25 3mtgA1 VAL 256 HG13 0.03 0.03 -0.10 -0.04 0.97 0.89 3mtgA1 VAL 256 HG23 0.06 0.03 0.06 -0.04 0.95 1.06 3mtgA1 THR 257 H 0.07 0.08 0.04 -0.55 8.28 7.93 3mtgA1 THR 257 HA 0.10 0.17 0.46 -0.75 4.39 4.36 3mtgA1 THR 257 HB 0.08 0.11 0.04 -0.04 4.32 4.51 3mtgA1 THR 257 HG23 0.06 0.02 0.05 -0.04 1.22 1.31 3mtgA1 GLY 258 H 0.07 -0.07 -0.40 -0.55 8.43 7.49 3mtgA1 GLY 258 HA2 0.07 0.17 0.31 -0.51 4.01 4.05 3mtgA1 GLY 258 HA3 0.06 -0.15 0.01 -0.51 4.01 3.41 3mtgA1 VAL 259 H 0.09 0.35 -0.30 -0.55 8.24 7.82 3mtgA1 VAL 259 HA -0.02 0.07 0.42 -0.75 4.13 3.85 3mtgA1 VAL 259 HB 0.11 0.16 0.15 -0.04 2.12 2.50 3mtgA1 VAL 259 HG13 0.26 0.01 -0.14 -0.04 0.97 1.06 3mtgA1 VAL 259 HG23 0.03 -0.06 -0.06 -0.04 0.95 0.83 3mtgA1 HIS 260 H 0.21 0.33 -0.19 -0.55 8.41 8.21 3mtgA1 HIS 260 HA 0.22 0.08 0.40 -0.75 4.63 4.58 3mtgA1 HIS 260 HB2 0.07 0.03 0.11 -0.04 3.26 3.42 3mtgA1 HIS 260 HB3 0.05 0.03 0.12 -0.04 3.20 3.36 3mtgA1 HIS 260 HD2 0.03 0.01 -0.14 -0.04 6.97 6.82 3mtgA1 HIS 260 HE1 -0.02 0.03 -0.02 -0.04 7.75 7.70 3mtgA1 ARG 261 H 0.11 0.32 -0.32 -0.55 8.46 8.02 3mtgA1 ARG 261 HA 0.00 0.07 0.42 -0.75 4.34 4.08 3mtgA1 ARG 261 HB2 0.06 0.12 0.18 -0.04 1.90 2.23 3mtgA1 ARG 261 HB3 0.03 0.06 0.04 -0.04 1.80 1.89 3mtgA1 ARG 261 HG2 0.01 0.04 0.00 -0.04 1.67 1.67 3mtgA1 ARG 261 HG3 0.02 -0.00 0.02 -0.04 1.67 1.67 3mtgA1 ARG 261 HD2 0.06 -0.02 -0.02 -0.04 3.22 3.20 3mtgA1 ARG 261 HD3 -0.04 0.03 -0.04 -0.04 3.22 3.14 3mtgA1 LEU 262 H -0.01 0.26 -0.28 -0.55 8.37 7.79 3mtgA1 LEU 262 HA -0.06 0.06 0.36 -0.75 4.35 3.95 3mtgA1 LEU 262 HB2 -0.16 0.09 0.16 -0.04 1.64 1.69 3mtgA1 LEU 262 HB3 -0.18 0.01 -0.05 -0.04 1.64 1.37 3mtgA1 LEU 262 HG -0.01 0.09 0.04 -0.04 1.64 1.71 3mtgA1 LEU 262 HD13 -0.06 -0.05 -0.10 -0.04 0.93 0.68 3mtgA1 LEU 262 HD23 0.00 0.01 -0.06 -0.04 0.89 0.80 3mtgA1 TYR 263 H -0.01 0.45 -0.15 -0.55 8.29 8.03 3mtgA1 TYR 263 HA -0.07 -0.00 0.47 -0.75 4.56 4.20 3mtgA1 TYR 263 HB2 -0.14 -0.00 0.13 -0.04 3.06 3.01 3mtgA1 TYR 263 HB3 -0.11 0.02 0.00 -0.04 2.98 2.85 3mtgA1 TYR 263 HD2 -0.02 -0.01 -0.09 -0.04 7.15 6.99 3mtgA1 TYR 263 HE2 -0.02 -0.01 -0.05 -0.04 6.85 6.73 3mtgA1 GLN 264 H -0.09 0.24 -0.45 -0.55 8.47 7.63 3mtgA1 GLN 264 HA -0.08 0.07 0.47 -0.75 4.36 4.07 3mtgA1 GLN 264 HB2 -0.17 0.13 0.18 -0.04 2.15 2.25 3mtgA1 GLN 264 HB3 -0.06 0.02 0.01 -0.04 2.02 1.95 3mtgA1 GLN 264 HG2 -0.03 0.03 0.03 -0.04 2.40 2.38 3mtgA1 GLN 264 HG3 -0.11 -0.05 0.02 -0.04 2.39 2.21 3mtgA1 GLN 264 HE21 0.03 -0.05 -0.04 -0.04 6.97 6.87 3mtgA1 GLN 264 HE22 0.01 0.05 -0.06 -0.04 7.69 7.64 3mtgA1 LEU 265 H -0.05 0.29 -0.14 -0.55 8.37 7.92 3mtgA1 LEU 265 HA -0.03 0.03 0.37 -0.75 4.35 3.97 3mtgA1 LEU 265 HB2 -0.05 0.12 0.04 -0.04 1.64 1.71 3mtgA1 LEU 265 HB3 -0.04 -0.14 -0.19 -0.04 1.64 1.22 3mtgA1 LEU 265 HG -0.11 0.25 0.05 -0.04 1.64 1.79 3mtgA1 LEU 265 HD13 -0.24 0.00 -0.14 -0.04 0.93 0.52 3mtgA1 LEU 265 HD23 -0.22 -0.01 -0.09 -0.04 0.89 0.53 3mtgA1 SER 266 H -0.02 0.29 -0.26 -0.55 8.46 7.93 3mtgA1 SER 266 HA 0.01 0.02 0.61 -0.75 4.49 4.37 3mtgA1 SER 266 HB2 -0.01 0.06 0.17 -0.04 3.95 4.13 3mtgA1 SER 266 HB3 0.03 0.05 0.06 -0.04 3.93 4.03 3mtgA1 LYS 267 H 0.01 0.15 0.20 -0.55 8.42 8.23 3mtgA1 LYS 267 HA 0.01 -0.00 0.36 -0.75 4.32 3.94 3mtgA1 ALA 268 H 0.01 0.13 -0.72 -0.55 8.40 7.27 3mtgA1 ALA 268 HA 0.01 0.12 0.74 -0.75 4.34 4.46 3mtgA1 ALA 268 HB3 0.01 0.01 0.04 -0.04 1.41 1.43 3mtgA1 GLY 269 H 0.02 -0.11 0.19 -0.55 8.43 7.98 3mtgA1 GLY 269 HA2 0.03 0.01 0.34 -0.51 4.01 3.88 3mtgA1 GLY 269 HA3 0.03 0.06 0.35 -0.51 4.01 3.94 3mtgA1 LYS 270 H 0.03 0.40 -0.09 -0.55 8.42 8.21 3mtgA1 LYS 270 HA 0.10 0.20 0.67 -0.75 4.32 4.54 3mtgA1 LEU 271 H 0.04 0.10 -0.27 -0.55 8.37 7.69 3mtgA1 LEU 271 HA 0.14 0.07 0.60 -0.75 4.35 4.40 3mtgA1 LEU 271 HB2 0.00 -0.12 -0.11 -0.04 1.64 1.37 3mtgA1 LEU 271 HB3 0.01 0.04 -0.09 -0.04 1.64 1.56 3mtgA1 LEU 271 HG 0.01 0.18 -0.19 -0.04 1.64 1.60 3mtgA1 LEU 271 HD13 0.04 -0.02 -0.04 -0.04 0.93 0.87 3mtgA1 LEU 271 HD23 -0.06 0.01 -0.23 -0.04 0.89 0.57 3mtgA1 CYS 272 H 0.17 0.18 0.11 -0.55 8.50 8.41 3mtgA1 CYS 272 HA 0.05 0.12 0.65 -0.75 4.58 4.65 3mtgA1 CYS 272 HB2 0.05 0.05 0.12 -0.04 2.97 3.15 3mtgA1 CYS 272 HB3 0.10 0.01 -0.05 -0.04 2.97 2.98 3mtgA1 VAL 273 H -0.03 -0.02 -0.09 -0.55 8.24 7.55 3mtgA1 VAL 273 HA -0.06 0.31 0.71 -0.75 4.13 4.34 3mtgA1 VAL 273 HB -0.25 0.26 -0.04 -0.04 2.12 2.05 3mtgA1 VAL 273 HG13 -0.51 -0.09 -0.03 -0.04 0.97 0.30 3mtgA1 VAL 273 HG23 -0.17 0.02 -0.24 -0.04 0.95 0.51 3mtgA1 PRO 274 HA 0.11 0.15 0.69 -0.51 4.44 4.88 3mtgA1 PRO 274 HB2 -0.03 -0.08 0.00 -0.04 2.28 2.13 3mtgA1 PRO 274 HB3 0.13 0.10 0.04 -0.04 2.02 2.25 3mtgA1 PRO 274 HG2 -0.03 0.11 0.13 -0.04 2.03 2.20 3mtgA1 PRO 274 HG3 0.03 0.09 0.06 -0.04 2.03 2.17 3mtgA1 PRO 274 HD2 -0.04 0.19 0.07 -0.04 3.68 3.86 3mtgA1 PRO 274 HD3 0.01 0.12 0.07 -0.04 3.65 3.81 3mtgA1 ALA 275 H 0.06 0.60 0.50 -0.55 8.40 9.01 3mtgA1 ALA 275 HA -0.05 0.21 1.12 -0.75 4.34 4.86 3mtgA1 ALA 275 HB3 -0.10 -0.05 0.01 -0.04 1.41 1.23 3mtgA1 MET 276 H -0.05 0.89 0.47 -0.55 8.47 9.22 3mtgA1 MET 276 HA -0.02 0.32 1.03 -0.75 4.52 5.09 3mtgA1 MET 276 HB2 -0.09 0.13 -0.02 -0.04 2.15 2.14 3mtgA1 MET 276 HB3 -0.03 -0.17 0.19 -0.04 2.03 1.98 3mtgA1 MET 276 HG2 -0.02 -0.05 -0.06 -0.04 2.63 2.45 3mtgA1 MET 276 HG3 -0.00 -0.07 -0.24 -0.04 2.56 2.21 3mtgA1 MET 276 HE3 -0.07 0.01 0.00 -0.04 2.10 2.01 3mtgA1 ASN 277 H -0.00 0.89 0.25 -0.55 8.53 9.12 3mtgA1 ASN 277 HA 0.00 0.05 0.71 -0.75 4.76 4.77 3mtgA1 ASN 277 HB2 -0.07 0.05 0.01 -0.04 2.88 2.83 3mtgA1 ASN 277 HB3 0.08 0.10 0.06 -0.04 2.79 3.00 3mtgA1 ASN 277 HD21 0.27 -0.01 -0.07 -0.04 7.03 7.17 3mtgA1 ASN 277 HD22 0.47 0.12 -0.08 -0.04 7.74 8.21 3mtgA1 VAL 278 H 0.03 0.49 0.26 -0.55 8.24 8.47 3mtgA1 VAL 278 HA 0.04 0.09 0.59 -0.75 4.13 4.10 3mtgA1 VAL 278 HB 0.03 -0.03 0.02 -0.04 2.12 2.10 3mtgA1 VAL 278 HG13 0.02 0.04 -0.13 -0.04 0.97 0.86 3mtgA1 VAL 278 HG23 0.04 0.09 -0.13 -0.04 0.95 0.90 3mtgA1 ASN 279 H 0.06 0.16 0.01 -0.55 8.53 8.21 3mtgA1 ASN 279 HA 0.07 0.06 0.37 -0.75 4.76 4.50 3mtgA1 ASN 279 HB2 0.07 0.16 0.03 -0.04 2.88 3.09 3mtgA1 ASN 279 HB3 0.09 -0.03 -0.03 -0.04 2.79 2.78 3mtgA1 ASN 279 HD21 0.07 -0.11 0.03 -0.04 7.03 6.98 3mtgA1 ASN 279 HD22 0.07 0.19 0.11 -0.04 7.74 8.07 3mtgA1 ASP 280 H 0.09 0.10 -0.39 -0.55 8.40 7.65 3mtgA1 ASP 280 HA 0.07 0.20 0.75 -0.75 4.63 4.90 3mtgA1 ASP 280 HB2 0.12 0.02 -0.01 -0.04 2.71 2.79 3mtgA1 ASP 280 HB3 0.08 0.05 0.11 -0.04 2.70 2.89 3mtgA1 SER 281 H 0.06 0.26 -0.40 -0.55 8.46 7.84 3mtgA1 SER 281 HA 0.07 0.10 0.61 -0.75 4.49 4.51 3mtgA1 SER 281 HB2 0.04 0.13 0.19 -0.04 3.95 4.28 3mtgA1 SER 281 HB3 0.04 -0.04 0.10 -0.04 3.93 3.99 3mtgA1 VAL 282 H 0.04 0.20 0.15 -0.55 8.24 8.09 3mtgA1 VAL 282 HA 0.02 0.12 0.25 -0.75 4.13 3.77 3mtgA1 VAL 282 HB -0.10 -0.10 0.13 -0.04 2.12 2.02 3mtgA1 VAL 282 HG13 -0.48 0.03 -0.15 -0.04 0.97 0.32 3mtgA1 VAL 282 HG23 0.11 0.04 0.08 -0.04 0.95 1.14 3mtgA1 THR 283 H -0.03 0.11 -0.05 -0.55 8.28 7.76 3mtgA1 THR 283 HA 0.02 0.09 0.30 -0.75 4.39 4.05 3mtgA1 THR 283 HB -0.02 -0.05 0.08 -0.04 4.32 4.29 3mtgA1 THR 283 HG23 -0.05 0.01 -0.13 -0.04 1.22 1.01 3mtgA1 LYS 284 H 0.02 0.08 -0.22 -0.55 8.42 7.74 3mtgA1 LYS 284 HA 0.06 -0.02 0.33 -0.75 4.32 3.93 3mtgA1 LYS 284 HB2 0.02 -0.05 0.06 -0.04 1.87 1.86 3mtgA1 LYS 284 HB3 0.05 0.25 0.09 -0.04 1.79 2.14 3mtgA1 LYS 284 HG2 0.05 -0.08 0.02 -0.04 1.46 1.40 3mtgA1 LYS 284 HG3 0.03 -0.05 -0.03 -0.04 1.46 1.37 3mtgA1 LYS 284 HD2 0.06 0.19 -0.18 -0.04 1.69 1.71 3mtgA1 LYS 284 HD3 0.07 0.04 -0.15 -0.04 1.68 1.59 3mtgA1 LYS 284 HE2 0.07 -0.05 -0.02 -0.04 2.99 2.94 3mtgA1 LYS 284 HE3 0.06 -0.05 -0.07 -0.04 2.99 2.89 3mtgA1 GLN 285 H 0.06 0.84 -0.09 -0.55 8.47 8.73 3mtgA1 GLN 285 HA 0.07 -0.01 0.42 -0.75 4.36 4.09 3mtgA1 GLN 285 HB2 0.06 -0.00 -0.08 -0.04 2.15 2.08 3mtgA1 GLN 285 HB3 0.05 0.09 -0.02 -0.04 2.02 2.10 3mtgA1 GLN 285 HG2 0.04 -0.10 0.05 -0.04 2.40 2.36 3mtgA1 GLN 285 HG3 0.05 -0.01 -0.02 -0.04 2.39 2.37 3mtgA1 GLN 285 HE21 0.01 0.02 -0.08 -0.04 6.97 6.88 3mtgA1 GLN 285 HE22 0.02 -0.11 -0.03 -0.04 7.69 7.53 3mtgA1 LYS 286 H 0.06 0.81 -0.02 -0.55 8.42 8.72 3mtgA1 LYS 286 HA 0.02 -0.01 0.44 -0.75 4.32 4.01 3mtgA1 LYS 286 HB2 0.06 0.09 0.07 -0.04 1.87 2.04 3mtgA1 LYS 286 HB3 0.00 -0.03 0.03 -0.04 1.79 1.75 3mtgA1 LYS 286 HG2 -0.00 0.11 0.03 -0.04 1.46 1.56 3mtgA1 LYS 286 HG3 -0.02 -0.02 -0.04 -0.04 1.46 1.35 3mtgA1 LYS 286 HD2 0.02 -0.00 0.03 -0.04 1.69 1.70 3mtgA1 LYS 286 HD3 0.03 -0.10 -0.02 -0.04 1.68 1.55 3mtgA1 LYS 286 HE2 0.08 -0.03 0.02 -0.04 2.99 3.02 3mtgA1 LYS 286 HE3 0.13 -0.01 0.04 -0.04 2.99 3.10 3mtgA1 PHE 287 H 0.22 0.46 -0.27 -0.55 8.34 8.20 3mtgA1 PHE 287 HA 0.05 0.08 0.53 -0.75 4.62 4.53 3mtgA1 PHE 287 HB2 0.02 0.29 0.18 -0.04 3.15 3.59 3mtgA1 PHE 287 HB3 0.06 -0.08 0.05 -0.04 3.06 3.04 3mtgA1 PHE 287 HD2 0.08 -0.02 -0.05 -0.04 7.28 7.25 3mtgA1 PHE 287 HE2 0.13 -0.02 -0.07 -0.04 7.38 7.39 3mtgA1 PHE 287 HZ -0.02 0.04 -0.04 -0.04 7.32 7.26 3mtgA1 ASP 288 H 0.18 0.67 0.09 -0.55 8.40 8.79 3mtgA1 ASP 288 HA 0.23 -0.05 0.50 -0.75 4.63 4.57 3mtgA1 ASP 288 HB2 0.09 0.17 0.17 -0.04 2.71 3.11 3mtgA1 ASP 288 HB3 0.11 -0.10 0.05 -0.04 2.70 2.71 3mtgA1 ASN 289 H 0.05 0.63 -0.10 -0.55 8.53 8.56 3mtgA1 ASN 289 HA -0.01 -0.08 0.40 -0.75 4.76 4.31 3mtgA1 ASN 289 HB2 -0.00 -0.01 0.11 -0.04 2.88 2.94 3mtgA1 ASN 289 HB3 -0.01 0.17 0.16 -0.04 2.79 3.06 3mtgA1 ASN 289 HD21 -0.04 0.01 -0.13 -0.04 7.03 6.84 3mtgA1 ASN 289 HD22 -0.05 0.12 -0.10 -0.04 7.74 7.68 3mtgA1 LEU 290 H -0.07 0.48 -0.26 -0.55 8.37 7.97 3mtgA1 LEU 290 HA -0.07 0.03 0.39 -0.75 4.35 3.94 3mtgA1 LEU 290 HB2 -0.33 0.15 0.20 -0.04 1.64 1.63 3mtgA1 LEU 290 HB3 -0.19 -0.06 0.02 -0.04 1.64 1.37 3mtgA1 LEU 290 HG -0.21 0.24 0.12 -0.04 1.64 1.75 3mtgA1 LEU 290 HD13 -0.41 -0.01 0.00 -0.04 0.93 0.47 3mtgA1 LEU 290 HD23 -0.10 -0.02 0.01 -0.04 0.89 0.74 3mtgA1 TYR 291 H 0.11 0.44 -0.13 -0.55 8.29 8.17 3mtgA1 TYR 291 HA -0.01 0.05 0.57 -0.75 4.56 4.41 3mtgA1 TYR 291 HB2 0.08 -0.00 0.15 -0.04 3.06 3.24 3mtgA1 TYR 291 HB3 0.06 0.04 0.28 -0.04 2.98 3.31 3mtgA1 TYR 291 HD2 0.05 0.00 0.06 -0.04 7.15 7.22 3mtgA1 TYR 291 HE2 0.04 -0.01 -0.02 -0.04 6.85 6.82 3mtgA1 CYS 292 H -0.04 0.82 0.18 -0.55 8.50 8.91 3mtgA1 CYS 292 HA -0.41 -0.01 0.36 -0.75 4.58 3.76 3mtgA1 CYS 292 HB2 -0.07 0.04 0.03 -0.04 2.97 2.93 3mtgA1 CYS 292 HB3 -0.12 -0.04 -0.06 -0.04 2.97 2.71 3mtgA1 CYS 293 H -0.06 0.61 0.08 -0.55 8.50 8.58 3mtgA1 CYS 293 HA -0.07 0.09 0.80 -0.75 4.58 4.64 3mtgA1 CYS 293 HB2 -0.06 0.15 0.08 -0.04 2.97 3.10 3mtgA1 CYS 293 HB3 -0.07 -0.02 0.19 -0.04 2.97 3.03 3mtgA1 ARG 294 H -0.05 0.20 -0.21 -0.55 8.46 7.85 3mtgA1 ARG 294 HA -0.03 0.26 1.08 -0.75 4.34 4.89 3mtgA1 ARG 294 HB2 -0.04 -0.04 -0.01 -0.04 1.90 1.76 3mtgA1 ARG 294 HB3 -0.04 0.15 0.25 -0.04 1.80 2.13 3mtgA1 ARG 294 HG2 -0.02 0.01 -0.20 -0.04 1.67 1.43 3mtgA1 ARG 294 HG3 -0.02 0.01 0.03 -0.04 1.67 1.64 3mtgA1 ARG 294 HD2 -0.03 0.01 -0.02 -0.04 3.22 3.14 3mtgA1 ARG 294 HD3 -0.04 -0.02 -0.01 -0.04 3.22 3.10 3mtgA1 GLU 295 H -0.01 0.57 0.27 -0.55 8.60 8.89 3mtgA1 GLU 295 HA 0.01 0.10 0.55 -0.75 4.29 4.20 3mtgA1 GLU 295 HB2 0.11 0.11 0.33 -0.04 2.09 2.60 3mtgA1 GLU 295 HB3 0.09 -0.07 0.02 -0.04 1.99 2.00 3mtgA1 GLU 295 HG2 0.01 -0.00 0.06 -0.04 2.34 2.37 3mtgA1 GLU 295 HG3 0.04 0.01 0.06 -0.04 2.34 2.41 3mtgA1 SER 296 H -0.09 0.44 0.04 -0.55 8.46 8.29 3mtgA1 SER 296 HA -0.02 0.18 0.86 -0.75 4.49 4.76 3mtgA1 SER 296 HB2 -0.33 0.08 0.03 -0.04 3.95 3.68 3mtgA1 SER 296 HB3 -0.14 -0.14 0.08 -0.04 3.93 3.69 3mtgA1 ILE 297 H -0.07 0.17 -0.40 -0.55 8.25 7.40 3mtgA1 ILE 297 HA -0.08 0.02 0.32 -0.75 4.18 3.68 3mtgA1 ILE 297 HB -0.07 0.05 -0.01 -0.04 1.89 1.82 3mtgA1 ILE 297 HG12 -0.07 0.01 -0.08 -0.04 1.49 1.31 3mtgA1 ILE 297 HG13 -0.07 -0.08 -0.02 -0.04 1.21 1.01 3mtgA1 ILE 297 HG23 -0.04 0.07 -0.21 -0.04 0.93 0.71 3mtgA1 ILE 297 HD13 -0.07 -0.05 0.09 -0.04 0.88 0.80 3mtgA1 LEU 298 H -0.02 0.19 -0.36 -0.55 8.37 7.64 3mtgA1 LEU 298 HA -0.04 0.15 0.77 -0.75 4.35 4.48 3mtgA1 LEU 298 HB2 0.03 0.09 -0.04 -0.04 1.64 1.68 3mtgA1 LEU 298 HB3 0.04 -0.05 0.09 -0.04 1.64 1.67 3mtgA1 LEU 298 HG -0.03 0.01 -0.14 -0.04 1.64 1.44 3mtgA1 LEU 298 HD13 0.02 0.01 -0.18 -0.04 0.93 0.74 3mtgA1 LEU 298 HD23 -0.13 0.03 -0.18 -0.04 0.89 0.57 3mtgA1 ASP 299 H -0.01 0.56 -0.18 -0.55 8.40 8.23 3mtgA1 ASP 299 HA 0.03 0.09 0.28 -0.75 4.63 4.28 3mtgA1 ASP 299 HB2 -0.00 0.04 0.17 -0.04 2.71 2.88 3mtgA1 ASP 299 HB3 0.02 -0.01 -0.01 -0.04 2.70 2.66 3mtgA1 GLY 300 H -0.00 0.17 -0.12 -0.55 8.43 7.93 3mtgA1 GLY 300 HA2 0.02 0.10 0.28 -0.51 4.01 3.90 3mtgA1 GLY 300 HA3 0.01 -0.05 0.22 -0.51 4.01 3.67 3mtgA1 LEU 301 H 0.02 0.07 -0.28 -0.55 8.37 7.63 3mtgA1 LEU 301 HA 0.06 0.04 0.30 -0.75 4.35 4.01 3mtgA1 LEU 301 HB2 -0.03 -0.07 0.04 -0.04 1.64 1.54 3mtgA1 LEU 301 HB3 0.00 0.08 0.12 -0.04 1.64 1.80 3mtgA1 LEU 301 HG 0.08 0.06 -0.17 -0.04 1.64 1.58 3mtgA1 LEU 301 HD13 0.01 -0.00 -0.09 -0.04 0.93 0.80 3mtgA1 LEU 301 HD23 -0.42 -0.00 -0.09 -0.04 0.89 0.34 3mtgA1 LYS 302 H 0.12 0.74 0.01 -0.55 8.42 8.73 3mtgA1 LYS 302 HA 0.16 -0.01 0.31 -0.75 4.32 4.03 3mtgA1 LYS 302 HB2 0.08 0.09 0.10 -0.04 1.87 2.09 3mtgA1 LYS 302 HB3 0.06 -0.02 -0.00 -0.04 1.79 1.79 3mtgA1 LYS 302 HG2 0.15 -0.01 0.03 -0.04 1.46 1.59 3mtgA1 LYS 302 HG3 0.29 -0.04 0.04 -0.04 1.46 1.70 3mtgA1 LYS 302 HD2 0.08 -0.08 -0.26 -0.04 1.69 1.40 3mtgA1 LYS 302 HD3 0.07 0.00 -0.07 -0.04 1.68 1.64 3mtgA1 LYS 302 HE2 0.17 -0.02 -0.04 -0.04 2.99 3.06 3mtgA1 LYS 302 HE3 0.07 -0.01 -0.07 -0.04 2.99 2.95 3mtgA1 ARG 303 H 0.05 0.46 -0.26 -0.55 8.46 8.17 3mtgA1 ARG 303 HA 0.03 0.00 0.43 -0.75 4.34 4.05 3mtgA1 ARG 303 HB2 0.03 0.02 0.10 -0.04 1.90 2.01 3mtgA1 ARG 303 HB3 0.03 0.08 0.14 -0.04 1.80 2.01 3mtgA1 ARG 303 HG2 0.02 0.02 -0.11 -0.04 1.67 1.57 3mtgA1 ARG 303 HG3 0.02 -0.03 0.05 -0.04 1.67 1.67 3mtgA1 ARG 303 HD2 0.02 -0.05 -0.03 -0.04 3.22 3.11 3mtgA1 ARG 303 HD3 0.02 -0.02 -0.02 -0.04 3.22 3.16 3mtgA1 THR 304 H 0.05 0.42 -0.08 -0.55 8.28 8.12 3mtgA1 THR 304 HA 0.03 0.11 0.54 -0.75 4.39 4.31 3mtgA1 THR 304 HB 0.05 -0.03 0.10 -0.04 4.32 4.39 3mtgA1 THR 304 HG23 0.03 -0.01 -0.00 -0.04 1.22 1.20 3mtgA1 THR 305 H 0.05 0.21 -0.29 -0.55 8.28 7.70 3mtgA1 THR 305 HA 0.06 0.34 1.37 -0.75 4.39 5.40 3mtgA1 THR 305 HB 0.08 -0.01 -0.15 -0.04 4.32 4.19 3mtgA1 THR 305 HG23 0.14 -0.02 -0.18 -0.04 1.22 1.13 3mtgA1 ASP 306 H -0.01 0.18 0.10 -0.55 8.40 8.12 3mtgA1 ASP 306 HA -0.05 0.01 0.33 -0.75 4.63 4.17 3mtgA1 ASP 306 HB2 -0.00 0.15 -0.14 -0.04 2.71 2.68 3mtgA1 ASP 306 HB3 -0.02 -0.04 0.17 -0.04 2.70 2.78 3mtgA1 VAL 307 H -0.19 0.18 -0.01 -0.55 8.24 7.67 3mtgA1 VAL 307 HA -0.11 0.12 0.52 -0.75 4.13 3.91 3mtgA1 VAL 307 HB -0.11 0.05 0.02 -0.04 2.12 2.04 3mtgA1 VAL 307 HG13 -0.02 0.04 -0.14 -0.04 0.97 0.81 3mtgA1 VAL 307 HG23 -0.19 -0.03 -0.30 -0.04 0.95 0.39 3mtgA1 MET 308 H -0.16 0.21 0.10 -0.55 8.47 8.07 3mtgA1 MET 308 HA -0.41 0.18 1.09 -0.75 4.52 4.63 3mtgA1 MET 308 HB2 -0.10 -0.06 0.13 -0.04 2.15 2.08 3mtgA1 MET 308 HB3 -0.13 0.01 0.03 -0.04 2.03 1.90 3mtgA1 MET 308 HG2 -0.08 -0.04 0.08 -0.04 2.63 2.55 3mtgA1 MET 308 HG3 -0.06 0.17 0.01 -0.04 2.56 2.64 3mtgA1 MET 308 HE3 -0.02 0.01 0.02 -0.04 2.10 2.06 3mtgA1 PHE 309 H -0.31 0.11 0.09 -0.55 8.34 7.68 3mtgA1 PHE 309 HA -0.00 0.12 0.48 -0.75 4.62 4.46 3mtgA1 PHE 309 HB2 -0.00 0.01 0.02 -0.04 3.15 3.14 3mtgA1 PHE 309 HB3 -0.00 -0.02 -0.05 -0.04 3.06 2.95 3mtgA1 PHE 309 HD2 -0.00 0.03 -0.10 -0.04 7.28 7.16 3mtgA1 PHE 309 HE2 0.00 -0.00 -0.15 -0.04 7.38 7.18 3mtgA1 PHE 309 HZ 0.00 0.01 -0.22 -0.04 7.32 7.07 3mtgA1 GLY 310 H 0.05 -0.02 -0.11 -0.55 8.43 7.80 3mtgA1 GLY 310 HA2 0.05 -0.06 -0.08 -0.51 4.01 3.42 3mtgA1 GLY 310 HA3 0.03 0.13 0.28 -0.51 4.01 3.94 3mtgA1 GLY 311 H 0.03 0.63 0.06 -0.55 8.43 8.60 3mtgA1 GLY 311 HA2 0.02 0.02 0.38 -0.51 4.01 3.91 3mtgA1 GLY 311 HA3 0.02 0.04 0.45 -0.51 4.01 4.00 3mtgA1 LYS 312 H 0.06 0.49 -0.15 -0.55 8.42 8.27 3mtgA1 LYS 312 HA 0.05 0.13 0.69 -0.75 4.32 4.44 3mtgA1 LYS 312 HB2 0.15 0.09 0.03 -0.04 1.87 2.10 3mtgA1 LYS 312 HB3 0.10 -0.11 0.02 -0.04 1.79 1.77 3mtgA1 LYS 312 HG2 0.05 -0.01 -0.21 -0.04 1.46 1.24 3mtgA1 LYS 312 HG3 0.10 0.13 -0.03 -0.04 1.46 1.62 3mtgA1 LYS 312 HD2 0.17 -0.09 -0.08 -0.04 1.69 1.64 3mtgA1 LYS 312 HD3 0.07 -0.05 0.01 -0.04 1.68 1.66 3mtgA1 LYS 312 HE2 -0.01 -0.07 -0.07 -0.04 2.99 2.80 3mtgA1 LYS 312 HE3 0.02 -0.02 -0.01 -0.04 2.99 2.94 3mtgA1 GLN 313 H 0.06 0.17 0.24 -0.55 8.47 8.39 3mtgA1 GLN 313 HA 0.01 0.36 1.00 -0.75 4.36 4.98 3mtgA1 GLN 313 HB2 0.11 0.00 0.20 -0.04 2.15 2.43 3mtgA1 GLN 313 HB3 0.31 -0.02 0.03 -0.04 2.02 2.29 3mtgA1 GLN 313 HG2 0.10 0.02 -0.03 -0.04 2.40 2.45 3mtgA1 GLN 313 HG3 0.07 0.03 -0.06 -0.04 2.39 2.39 3mtgA1 GLN 313 HE21 0.05 -0.03 -0.01 -0.04 6.97 6.95 3mtgA1 GLN 313 HE22 0.06 0.04 0.06 -0.04 7.69 7.80 3mtgA1 VAL 314 H -0.03 0.83 0.38 -0.55 8.24 8.88 3mtgA1 VAL 314 HA 0.01 0.20 0.99 -0.75 4.13 4.57 3mtgA1 VAL 314 HB -0.07 -0.01 -0.06 -0.04 2.12 1.94 3mtgA1 VAL 314 HG13 -0.10 -0.02 -0.28 -0.04 0.97 0.52 3mtgA1 VAL 314 HG23 -0.05 0.01 -0.30 -0.04 0.95 0.57 3mtgA1 VAL 315 H 0.01 0.62 0.31 -0.55 8.24 8.63 3mtgA1 VAL 315 HA 0.06 0.23 0.96 -0.75 4.13 4.63 3mtgA1 VAL 315 HB 0.06 0.03 -0.07 -0.04 2.12 2.11 3mtgA1 VAL 315 HG13 -0.03 0.00 0.05 -0.04 0.97 0.95 3mtgA1 VAL 315 HG23 -0.01 -0.02 -0.25 -0.04 0.95 0.63 3mtgA1 VAL 316 H -0.05 0.74 0.25 -0.55 8.24 8.64 3mtgA1 VAL 316 HA -0.05 0.14 0.94 -0.75 4.13 4.40 3mtgA1 VAL 316 HB -0.10 0.06 0.12 -0.04 2.12 2.16 3mtgA1 VAL 316 HG13 -0.04 0.01 -0.17 -0.04 0.97 0.72 3mtgA1 VAL 316 HG23 -0.11 0.01 -0.22 -0.04 0.95 0.58 3mtgA1 CYS 317 H -0.03 0.82 0.31 -0.55 8.50 9.05 3mtgA1 CYS 317 HA -0.02 0.06 0.79 -0.75 4.58 4.67 3mtgA1 CYS 317 HB2 -0.02 -0.16 0.30 -0.04 2.97 3.06 3mtgA1 CYS 317 HB3 -0.02 -0.04 0.04 -0.04 2.97 2.91 3mtgA1 GLY 318 H 0.01 0.67 0.26 -0.55 8.43 8.83 3mtgA1 GLY 318 HA2 0.03 -0.09 0.45 -0.51 4.01 3.89 3mtgA1 GLY 318 HA3 0.01 0.11 0.64 -0.51 4.01 4.26 3mtgA1 TYR 319 H 0.11 0.08 0.07 -0.55 8.29 7.99 3mtgA1 TYR 319 HA -0.05 0.17 0.79 -0.75 4.56 4.72 3mtgA1 TYR 319 HB2 -0.04 0.01 -0.18 -0.04 3.06 2.81 3mtgA1 TYR 319 HB3 -0.01 -0.03 0.05 -0.04 2.98 2.95 3mtgA1 TYR 319 HD2 -0.06 0.05 -0.05 -0.04 7.15 7.05 3mtgA1 TYR 319 HE2 -0.09 0.04 -0.20 -0.04 6.85 6.56 3mtgA1 GLY 320 H -0.03 0.07 -0.20 -0.55 8.43 7.72 3mtgA1 GLY 320 HA2 -0.05 0.22 0.60 -0.51 4.01 4.26 3mtgA1 GLY 320 HA3 -0.04 0.01 0.38 -0.51 4.01 3.84 3mtgA1 GLU 321 H -0.05 0.15 0.13 -0.55 8.60 8.28 3mtgA1 GLU 321 HA -0.09 0.18 0.39 -0.75 4.29 4.02 3mtgA1 GLU 321 HB2 -0.03 -0.08 0.14 -0.04 2.09 2.07 3mtgA1 GLU 321 HB3 -0.04 0.06 -0.01 -0.04 1.99 1.96 3mtgA1 GLU 321 HG2 -0.02 0.09 0.03 -0.04 2.34 2.40 3mtgA1 GLU 321 HG3 -0.03 -0.04 0.07 -0.04 2.34 2.30 3mtgA1 VAL 322 H -0.06 0.04 -0.08 -0.55 8.24 7.59 3mtgA1 VAL 322 HA -0.07 0.13 0.41 -0.75 4.13 3.85 3mtgA1 VAL 322 HB -0.04 -0.04 0.08 -0.04 2.12 2.08 3mtgA1 VAL 322 HG13 -0.05 0.08 -0.08 -0.04 0.97 0.89 3mtgA1 VAL 322 HG23 -0.03 0.01 0.02 -0.04 0.95 0.91 3mtgA1 GLY 323 H -0.08 -0.03 -0.22 -0.55 8.43 7.55 3mtgA1 GLY 323 HA2 -0.06 0.04 0.29 -0.51 4.01 3.77 3mtgA1 GLY 323 HA3 -0.06 0.25 0.27 -0.51 4.01 3.96 3mtgA1 LYS 324 H -0.34 0.41 -0.41 -0.55 8.42 7.52 3mtgA1 LYS 324 HA -0.68 0.04 0.26 -0.75 4.32 3.18 3mtgA1 LYS 324 HB2 -0.28 0.11 0.07 -0.04 1.87 1.73 3mtgA1 LYS 324 HB3 -0.25 0.01 -0.07 -0.04 1.79 1.44 3mtgA1 LYS 324 HG2 -1.01 -0.01 -0.04 -0.04 1.46 0.36 3mtgA1 LYS 324 HG3 -0.94 0.04 -0.12 -0.04 1.46 0.39 3mtgA1 LYS 324 HD2 -0.19 -0.04 -0.11 -0.04 1.69 1.30 3mtgA1 LYS 324 HD3 -0.16 -0.00 -0.06 -0.04 1.68 1.42 3mtgA1 LYS 324 HE2 -0.04 -0.04 -0.04 -0.04 2.99 2.83 3mtgA1 LYS 324 HE3 -0.06 -0.00 -0.02 -0.04 2.99 2.87 3mtgA1 GLY 325 H -0.13 0.33 -0.19 -0.55 8.43 7.89 3mtgA1 GLY 325 HA2 -0.06 0.01 0.43 -0.51 4.01 3.88 3mtgA1 GLY 325 HA3 -0.07 0.11 0.44 -0.51 4.01 3.98 3mtgA1 CYS 326 H -0.08 0.63 -0.01 -0.55 8.50 8.49 3mtgA1 CYS 326 HA -0.07 -0.02 0.32 -0.75 4.58 4.06 3mtgA1 CYS 326 HB2 -0.08 0.03 0.04 -0.04 2.97 2.93 3mtgA1 CYS 326 HB3 -0.08 0.09 0.08 -0.04 2.97 3.01 3mtgA1 CYS 327 H -0.08 0.66 -0.11 -0.55 8.50 8.42 3mtgA1 CYS 327 HA -0.14 -0.02 0.35 -0.75 4.58 4.02 3mtgA1 CYS 327 HB2 -0.01 0.09 0.07 -0.04 2.97 3.08 3mtgA1 CYS 327 HB3 -0.80 0.01 -0.03 -0.04 2.97 2.11 3mtgA1 ALA 328 H 0.03 0.52 -0.17 -0.55 8.40 8.23 3mtgA1 ALA 328 HA 0.16 0.04 0.36 -0.75 4.34 4.14 3mtgA1 ALA 328 HB3 0.04 0.04 0.13 -0.04 1.41 1.59 3mtgA1 ALA 329 H 0.00 0.58 -0.08 -0.55 8.40 8.35 3mtgA1 ALA 329 HA 0.02 0.01 0.37 -0.75 4.34 3.98 3mtgA1 ALA 329 HB3 -0.02 0.04 0.10 -0.04 1.41 1.49 3mtgA1 LEU 330 H -0.02 0.56 -0.15 -0.55 8.37 8.22 3mtgA1 LEU 330 HA 0.01 -0.05 0.33 -0.75 4.35 3.90 3mtgA1 LEU 330 HB2 -0.05 0.10 0.08 -0.04 1.64 1.73 3mtgA1 LEU 330 HB3 -0.04 -0.05 -0.11 -0.04 1.64 1.40 3mtgA1 LEU 330 HG -0.12 0.10 -0.02 -0.04 1.64 1.56 3mtgA1 LEU 330 HD13 -0.15 -0.03 -0.22 -0.04 0.93 0.49 3mtgA1 LEU 330 HD23 -0.27 -0.02 -0.11 -0.04 0.89 0.45 3mtgA1 LYS 331 H 0.09 0.79 -0.06 -0.55 8.42 8.68 3mtgA1 LYS 331 HA 0.10 0.12 0.47 -0.75 4.32 4.25 3mtgA1 LYS 331 HB2 0.32 0.05 0.11 -0.04 1.87 2.31 3mtgA1 LYS 331 HB3 0.12 0.07 0.16 -0.04 1.79 2.10 3mtgA1 LYS 331 HG2 0.02 -0.04 -0.05 -0.04 1.46 1.34 3mtgA1 LYS 331 HG3 0.04 0.00 0.07 -0.04 1.46 1.53 3mtgA1 LYS 331 HD2 0.04 -0.02 -0.00 -0.04 1.69 1.67 3mtgA1 LYS 331 HD3 -0.02 -0.05 -0.01 -0.04 1.68 1.55 3mtgA1 LYS 331 HE2 -0.25 0.10 0.05 -0.04 2.99 2.85 3mtgA1 LYS 331 HE3 -0.14 -0.08 0.02 -0.04 2.99 2.75 3mtgA1 ALA 332 H 0.05 0.61 -0.10 -0.55 8.40 8.42 3mtgA1 ALA 332 HA 0.02 0.01 0.40 -0.75 4.34 4.02 3mtgA1 ALA 332 HB3 0.03 0.02 0.10 -0.04 1.41 1.52 3mtgA1 LEU 333 H 0.05 0.29 -0.36 -0.55 8.37 7.80 3mtgA1 LEU 333 HA 0.04 0.11 0.68 -0.75 4.35 4.43 3mtgA1 LEU 333 HB2 0.10 0.07 0.04 -0.04 1.64 1.81 3mtgA1 LEU 333 HB3 0.09 -0.16 0.10 -0.04 1.64 1.63 3mtgA1 LEU 333 HG 0.06 0.27 0.02 -0.04 1.64 1.95 3mtgA1 LEU 333 HD13 0.17 -0.05 -0.05 -0.04 0.93 0.97 3mtgA1 LEU 333 HD23 0.05 -0.01 -0.01 -0.04 0.89 0.88 3mtgA1 GLY 334 H 0.04 0.41 -0.18 -0.55 8.43 8.16 3mtgA1 GLY 334 HA2 0.02 0.10 0.29 -0.51 4.01 3.91 3mtgA1 GLY 334 HA3 0.02 0.04 0.77 -0.51 4.01 4.33 3mtgA1 ALA 335 H 0.05 0.38 0.08 -0.55 8.40 8.36 3mtgA1 ALA 335 HA 0.04 0.10 0.64 -0.75 4.34 4.37 3mtgA1 ALA 335 HB3 0.05 -0.03 -0.16 -0.04 1.41 1.23 3mtgA1 ILE 336 H -0.02 0.89 0.32 -0.55 8.25 8.90 3mtgA1 ILE 336 HA -0.08 0.10 0.73 -0.75 4.18 4.17 3mtgA1 ILE 336 HB -0.09 -0.01 0.15 -0.04 1.89 1.91 3mtgA1 ILE 336 HG12 -0.05 0.00 -0.01 -0.04 1.49 1.39 3mtgA1 ILE 336 HG13 -0.02 0.05 -0.10 -0.04 1.21 1.09 3mtgA1 ILE 336 HG23 -0.38 -0.02 -0.10 -0.04 0.93 0.39 3mtgA1 ILE 336 HD13 0.00 -0.00 -0.04 -0.04 0.88 0.79 3mtgA1 VAL 337 H -0.03 0.27 0.13 -0.55 8.24 8.06 3mtgA1 VAL 337 HA -0.16 0.24 0.91 -0.75 4.13 4.37 3mtgA1 VAL 337 HB -0.05 0.02 0.03 -0.04 2.12 2.08 3mtgA1 VAL 337 HG13 -0.29 -0.02 -0.12 -0.04 0.97 0.50 3mtgA1 VAL 337 HG23 -0.01 0.05 -0.28 -0.04 0.95 0.66 3mtgA1 TYR 338 H -0.05 0.69 0.45 -0.55 8.29 8.83 3mtgA1 TYR 338 HA 0.01 0.15 0.78 -0.75 4.56 4.75 3mtgA1 TYR 338 HB2 -0.04 -0.08 0.08 -0.04 3.06 2.98 3mtgA1 TYR 338 HB3 -0.03 -0.02 0.03 -0.04 2.98 2.92 3mtgA1 TYR 338 HD2 -0.01 -0.02 -0.10 -0.04 7.15 6.98 3mtgA1 TYR 338 HE2 0.00 0.00 -0.08 -0.04 6.85 6.73 3mtgA1 ILE 339 H 0.05 0.80 0.34 -0.55 8.25 8.90 3mtgA1 ILE 339 HA -0.06 0.28 1.00 -0.75 4.18 4.64 3mtgA1 ILE 339 HB -0.14 0.09 -0.14 -0.04 1.89 1.66 3mtgA1 ILE 339 HG12 -0.55 -0.05 -0.16 -0.04 1.49 0.69 3mtgA1 ILE 339 HG13 -0.16 0.07 -0.03 -0.04 1.21 1.05 3mtgA1 ILE 339 HG23 -0.17 -0.04 -0.32 -0.04 0.93 0.36 3mtgA1 ILE 339 HD13 -0.62 0.01 -0.45 -0.04 0.88 -0.23 3mtgA1 THR 340 H -0.03 0.47 0.32 -0.55 8.28 8.50 3mtgA1 THR 340 HA -0.02 0.36 1.00 -0.75 4.39 4.98 3mtgA1 THR 340 HB -0.02 0.03 0.12 -0.04 4.32 4.40 3mtgA1 THR 340 HG23 -0.04 0.04 -0.29 -0.04 1.22 0.88 3mtgA1 GLU 341 H -0.01 0.40 0.16 -0.55 8.60 8.61 3mtgA1 GLU 341 HA 0.02 0.01 0.71 -0.75 4.29 4.27 3mtgA1 GLU 341 HB2 0.00 0.09 -0.23 -0.04 2.09 1.91 3mtgA1 GLU 341 HB3 0.02 0.05 -0.12 -0.04 1.99 1.90 3mtgA1 GLU 341 HG2 0.06 0.14 0.04 -0.04 2.34 2.54 3mtgA1 GLU 341 HG3 0.09 0.14 -0.21 -0.04 2.34 2.32 3mtgA1 ILE 342 H 0.01 0.03 0.18 -0.55 8.25 7.92 3mtgA1 ILE 342 HA 0.01 0.24 0.80 -0.75 4.18 4.48 3mtgA1 ILE 342 HB 0.01 0.08 0.08 -0.04 1.89 2.01 3mtgA1 ILE 342 HG12 0.01 -0.05 0.04 -0.04 1.49 1.45 3mtgA1 ILE 342 HG13 0.01 -0.08 0.03 -0.04 1.21 1.13 3mtgA1 ILE 342 HG23 0.01 0.01 -0.04 -0.04 0.93 0.86 3mtgA1 ILE 342 HD13 0.00 0.02 -0.04 -0.04 0.88 0.83 3mtgA1 ASP 343 H 0.02 -0.08 0.09 -0.55 8.40 7.88 3mtgA1 ASP 343 HA 0.01 0.29 0.72 -0.75 4.63 4.90 3mtgA1 ASP 343 HB2 0.01 0.05 0.10 -0.04 2.71 2.83 3mtgA1 ASP 343 HB3 0.03 -0.11 0.19 -0.04 2.70 2.77 3mtgA1 PRO 344 HA 0.01 0.10 0.34 -0.51 4.44 4.38 3mtgA1 PRO 344 HB2 0.01 0.08 0.01 -0.04 2.28 2.33 3mtgA1 PRO 344 HB3 0.01 0.09 0.07 -0.04 2.02 2.15 3mtgA1 PRO 344 HG2 0.01 0.02 0.08 -0.04 2.03 2.10 3mtgA1 PRO 344 HG3 0.01 0.12 0.08 -0.04 2.03 2.20 3mtgA1 PRO 344 HD2 0.01 0.06 0.27 -0.04 3.68 3.98 3mtgA1 PRO 344 HD3 0.01 0.34 0.24 -0.04 3.65 4.20 3mtgA1 ILE 345 H 0.02 0.10 -0.21 -0.55 8.25 7.61 3mtgA1 ILE 345 HA 0.02 0.17 0.49 -0.75 4.18 4.11 3mtgA1 ILE 345 HB 0.02 -0.08 0.09 -0.04 1.89 1.89 3mtgA1 ILE 345 HG12 0.01 0.08 0.01 -0.04 1.49 1.55 3mtgA1 ILE 345 HG13 0.01 -0.07 0.03 -0.04 1.21 1.14 3mtgA1 ILE 345 HG23 0.02 0.03 -0.08 -0.04 0.93 0.87 3mtgA1 ILE 345 HD13 0.01 0.02 0.01 -0.04 0.88 0.88 3mtgA1 CYS 346 H 0.04 0.02 -0.11 -0.55 8.50 7.91 3mtgA1 CYS 346 HA 0.13 0.14 0.38 -0.75 4.58 4.49 3mtgA1 CYS 346 HB2 0.07 -0.05 0.11 -0.04 2.97 3.06 3mtgA1 CYS 346 HB3 0.16 0.03 0.00 -0.04 2.97 3.12 3mtgA1 ALA 347 H 0.04 0.41 -0.27 -0.55 8.40 8.03 3mtgA1 ALA 347 HA -0.03 0.03 0.39 -0.75 4.34 3.98 3mtgA1 ALA 347 HB3 0.00 0.01 -0.03 -0.04 1.41 1.36 3mtgA1 LEU 348 H 0.02 0.47 -0.19 -0.55 8.37 8.13 3mtgA1 LEU 348 HA 0.00 0.02 0.43 -0.75 4.35 4.05 3mtgA1 LEU 348 HB2 0.01 0.08 0.19 -0.04 1.64 1.87 3mtgA1 LEU 348 HB3 0.02 0.08 0.18 -0.04 1.64 1.88 3mtgA1 LEU 348 HG 0.01 -0.00 -0.05 -0.04 1.64 1.56 3mtgA1 LEU 348 HD13 0.00 -0.01 0.05 -0.04 0.93 0.94 3mtgA1 LEU 348 HD23 0.01 -0.01 0.00 -0.04 0.89 0.85 3mtgA1 GLN 349 H 0.07 0.43 -0.23 -0.55 8.47 8.19 3mtgA1 GLN 349 HA 0.08 0.04 0.39 -0.75 4.36 4.12 3mtgA1 GLN 349 HB2 0.21 0.11 0.17 -0.04 2.15 2.60 3mtgA1 GLN 349 HB3 0.26 0.00 -0.00 -0.04 2.02 2.23 3mtgA1 GLN 349 HG2 0.07 -0.00 -0.00 -0.04 2.40 2.43 3mtgA1 GLN 349 HG3 0.07 0.13 -0.02 -0.04 2.39 2.52 3mtgA1 GLN 349 HE21 0.02 -0.03 -0.04 -0.04 6.97 6.88 3mtgA1 GLN 349 HE22 0.05 0.03 -0.03 -0.04 7.69 7.69 3mtgA1 ALA 350 H -0.03 0.35 -0.21 -0.55 8.40 7.96 3mtgA1 ALA 350 HA -0.25 0.04 0.34 -0.75 4.34 3.71 3mtgA1 ALA 350 HB3 -0.58 0.02 -0.01 -0.04 1.41 0.80 3mtgA1 CYS 351 H -0.03 0.49 -0.08 -0.55 8.50 8.34 3mtgA1 CYS 351 HA -0.02 0.27 0.50 -0.75 4.58 4.57 3mtgA1 CYS 351 HB2 -0.01 0.09 0.17 -0.04 2.97 3.18 3mtgA1 CYS 351 HB3 -0.01 -0.04 0.07 -0.04 2.97 2.95 3mtgA1 MET 352 H 0.00 0.51 -0.21 -0.55 8.47 8.22 3mtgA1 MET 352 HA -0.02 0.04 0.46 -0.75 4.52 4.24 3mtgA1 MET 352 HB2 0.02 0.09 0.16 -0.04 2.15 2.38 3mtgA1 MET 352 HB3 0.00 -0.06 0.09 -0.04 2.03 2.03 3mtgA1 MET 352 HG2 0.00 0.01 0.05 -0.04 2.63 2.65 3mtgA1 MET 352 HG3 0.01 -0.08 0.00 -0.04 2.56 2.46 3mtgA1 MET 352 HE3 -0.01 -0.01 -0.07 -0.04 2.10 1.97 3mtgA1 ASP 353 H -0.00 0.27 -0.38 -0.55 8.40 7.74 3mtgA1 ASP 353 HA -0.05 0.08 0.58 -0.75 4.63 4.49 3mtgA1 ASP 353 HB2 0.22 -0.00 0.10 -0.04 2.71 2.99 3mtgA1 ASP 353 HB3 0.13 -0.05 0.12 -0.04 2.70 2.86 3mtgA1 GLY 354 H -0.16 0.31 -0.41 -0.55 8.43 7.62 3mtgA1 GLY 354 HA2 -0.19 0.01 0.25 -0.51 4.01 3.57 3mtgA1 GLY 354 HA3 -0.37 0.07 0.55 -0.51 4.01 3.75 3mtgA1 PHE 355 H -0.14 0.51 0.05 -0.55 8.34 8.20 3mtgA1 PHE 355 HA -0.08 0.23 0.96 -0.75 4.62 4.97 3mtgA1 PHE 355 HB2 -0.22 -0.09 -0.18 -0.04 3.15 2.62 3mtgA1 PHE 355 HB3 -0.12 -0.01 -0.15 -0.04 3.06 2.73 3mtgA1 PHE 355 HD2 -0.17 0.10 -0.06 -0.04 7.28 7.12 3mtgA1 PHE 355 HE2 0.05 -0.02 -0.07 -0.04 7.38 7.30 3mtgA1 PHE 355 HZ 0.03 0.00 -0.21 -0.04 7.32 7.10 3mtgA1 ARG 356 H 0.13 0.24 0.18 -0.55 8.46 8.46 3mtgA1 ARG 356 HA 0.05 0.10 0.65 -0.75 4.34 4.38 3mtgA1 ARG 356 HB2 0.26 -0.03 0.11 -0.04 1.90 2.20 3mtgA1 ARG 356 HB3 0.10 0.01 -0.09 -0.04 1.80 1.79 3mtgA1 ARG 356 HG2 0.06 0.02 -0.02 -0.04 1.67 1.69 3mtgA1 ARG 356 HG3 0.08 0.05 -0.02 -0.04 1.67 1.74 3mtgA1 ARG 356 HD2 0.09 0.02 -0.02 -0.04 3.22 3.27 3mtgA1 ARG 356 HD3 0.25 0.02 -0.01 -0.04 3.22 3.44 3mtgA1 VAL 357 H 0.02 0.20 0.12 -0.55 8.24 8.04 3mtgA1 VAL 357 HA -0.01 0.32 0.75 -0.75 4.13 4.43 3mtgA1 VAL 357 HB -0.01 -0.00 0.14 -0.04 2.12 2.21 3mtgA1 VAL 357 HG13 -0.01 -0.04 -0.11 -0.04 0.97 0.77 3mtgA1 VAL 357 HG23 -0.04 -0.01 -0.07 -0.04 0.95 0.78 3mtgA1 VAL 358 H 0.00 0.67 0.31 -0.55 8.24 8.67 3mtgA1 VAL 358 HA -0.02 0.14 0.77 -0.75 4.13 4.27 3mtgA1 VAL 358 HB -0.06 -0.03 0.04 -0.04 2.12 2.02 3mtgA1 VAL 358 HG13 -0.02 0.02 -0.30 -0.04 0.97 0.63 3mtgA1 VAL 358 HG23 -0.06 0.02 -0.26 -0.04 0.95 0.61 3mtgA1 LYS 359 H -0.03 0.14 0.13 -0.55 8.42 8.11 3mtgA1 LYS 359 HA -0.01 0.11 0.66 -0.75 4.32 4.32 3mtgA1 LYS 359 HB2 -0.01 0.00 0.13 -0.04 1.87 1.94 3mtgA1 LYS 359 HB3 0.00 -0.05 0.06 -0.04 1.79 1.76 3mtgA1 LYS 359 HG2 0.00 0.02 0.05 -0.04 1.46 1.50 3mtgA1 LYS 359 HG3 -0.01 0.03 -0.00 -0.04 1.46 1.44 3mtgA1 LYS 359 HD2 -0.01 0.01 0.04 -0.04 1.69 1.69 3mtgA1 LYS 359 HD3 -0.00 0.00 0.02 -0.04 1.68 1.66 3mtgA1 LYS 359 HE2 0.00 0.01 0.01 -0.04 2.99 2.97 3mtgA1 LYS 359 HE3 -0.00 0.01 -0.01 -0.04 2.99 2.95 3mtgA1 LEU 360 H -0.04 0.16 0.10 -0.55 8.37 8.04 3mtgA1 LEU 360 HA -0.10 0.10 0.21 -0.75 4.35 3.80 3mtgA1 LEU 360 HB2 -0.16 0.01 0.11 -0.04 1.64 1.55 3mtgA1 LEU 360 HB3 -0.28 -0.01 0.12 -0.04 1.64 1.44 3mtgA1 LEU 360 HG -0.56 -0.00 -0.15 -0.04 1.64 0.89 3mtgA1 LEU 360 HD13 -0.15 -0.00 -0.04 -0.04 0.93 0.70 3mtgA1 LEU 360 HD23 -0.55 0.00 -0.03 -0.04 0.89 0.27 3mtgA1 ASN 361 H 0.02 0.07 -0.20 -0.55 8.53 7.88 3mtgA1 ASN 361 HA 0.04 0.05 0.28 -0.75 4.76 4.38 3mtgA1 ASN 361 HB2 0.03 -0.03 -0.00 -0.04 2.88 2.83 3mtgA1 ASN 361 HB3 0.02 0.10 -0.06 -0.04 2.79 2.82 3mtgA1 ASN 361 HD21 0.09 0.01 -0.01 -0.04 7.03 7.08 3mtgA1 ASN 361 HD22 0.07 0.01 -0.00 -0.04 7.74 7.77 3mtgA1 GLU 362 H -0.04 0.27 -0.32 -0.55 8.60 7.96 3mtgA1 GLU 362 HA -0.06 0.07 0.36 -0.75 4.29 3.91 3mtgA1 GLU 362 HB2 -0.08 0.12 0.07 -0.04 2.09 2.16 3mtgA1 GLU 362 HB3 -0.10 0.05 0.00 -0.04 1.99 1.90 3mtgA1 GLU 362 HG2 -0.04 0.06 0.05 -0.04 2.34 2.37 3mtgA1 GLU 362 HG3 -0.03 -0.11 0.06 -0.04 2.34 2.21 3mtgA1 VAL 363 H -0.11 0.26 -0.25 -0.55 8.24 7.59 3mtgA1 VAL 363 HA -0.18 0.25 0.88 -0.75 4.13 4.33 3mtgA1 VAL 363 HB -0.31 -0.02 -0.01 -0.04 2.12 1.74 3mtgA1 VAL 363 HG13 -0.67 0.00 -0.24 -0.04 0.97 0.03 3mtgA1 VAL 363 HG23 -0.14 0.00 -0.13 -0.04 0.95 0.65 3mtgA1 ILE 364 H -0.07 0.22 0.01 -0.55 8.25 7.86 3mtgA1 ILE 364 HA -0.06 -0.00 0.22 -0.75 4.18 3.59 3mtgA1 ILE 364 HB -0.06 -0.01 -0.05 -0.04 1.89 1.73 3mtgA1 ILE 364 HG12 0.08 -0.09 -0.06 -0.04 1.49 1.38 3mtgA1 ILE 364 HG13 -0.02 0.14 -0.13 -0.04 1.21 1.15 3mtgA1 ILE 364 HG23 0.03 0.07 -0.09 -0.04 0.93 0.89 3mtgA1 ILE 364 HD13 -0.10 -0.03 -0.10 -0.04 0.88 0.61 3mtgA1 ARG 365 H -0.05 0.07 -0.48 -0.55 8.46 7.44 3mtgA1 ARG 365 HA -0.06 0.31 0.47 -0.75 4.34 4.31 3mtgA1 ARG 365 HB2 -0.05 -0.04 -0.04 -0.04 1.90 1.73 3mtgA1 ARG 365 HB3 -0.05 0.02 0.10 -0.04 1.80 1.83 3mtgA1 ARG 365 HG2 -0.06 0.29 0.02 -0.04 1.67 1.88 3mtgA1 ARG 365 HG3 -0.04 -0.16 -0.09 -0.04 1.67 1.34 3mtgA1 ARG 365 HD2 -0.04 -0.01 -0.03 -0.04 3.22 3.10 3mtgA1 ARG 365 HD3 -0.04 0.01 0.00 -0.04 3.22 3.15 3mtgA1 GLN 366 H -0.06 0.54 -0.15 -0.55 8.47 8.26 3mtgA1 GLN 366 HA -0.03 0.22 0.98 -0.75 4.36 4.78 3mtgA1 GLN 366 HB2 -0.01 -0.02 0.06 -0.04 2.15 2.14 3mtgA1 GLN 366 HB3 -0.04 -0.03 -0.11 -0.04 2.02 1.80 3mtgA1 GLN 366 HG2 -0.10 0.09 0.14 -0.04 2.40 2.48 3mtgA1 GLN 366 HG3 -0.05 -0.03 -0.13 -0.04 2.39 2.13 3mtgA1 GLN 366 HE21 -0.05 -0.02 -0.02 -0.04 6.97 6.83 3mtgA1 GLN 366 HE22 0.02 0.01 -0.05 -0.04 7.69 7.63 3mtgA1 VAL 367 H -0.03 0.18 0.03 -0.55 8.24 7.87 3mtgA1 VAL 367 HA 0.06 0.03 0.42 -0.75 4.13 3.89 3mtgA1 VAL 367 HB 0.04 0.05 0.01 -0.04 2.12 2.18 3mtgA1 VAL 367 HG13 0.09 -0.02 -0.23 -0.04 0.97 0.77 3mtgA1 VAL 367 HG23 -0.02 -0.01 -0.14 -0.04 0.95 0.74 3mtgA1 ASP 368 H 0.04 0.61 0.43 -0.55 8.40 8.93 3mtgA1 ASP 368 HA 0.01 0.17 0.64 -0.75 4.63 4.70 3mtgA1 ASP 368 HB2 0.07 0.00 0.13 -0.04 2.71 2.87 3mtgA1 ASP 368 HB3 0.05 0.02 0.10 -0.04 2.70 2.84 3mtgA1 VAL 369 H 0.02 0.27 0.27 -0.55 8.24 8.25 3mtgA1 VAL 369 HA 0.01 0.21 0.92 -0.75 4.13 4.52 3mtgA1 VAL 369 HB -0.06 -0.10 -0.02 -0.04 2.12 1.90 3mtgA1 VAL 369 HG13 -0.10 -0.01 -0.17 -0.04 0.97 0.65 3mtgA1 VAL 369 HG23 0.06 0.03 -0.22 -0.04 0.95 0.77 3mtgA1 VAL 370 H -0.02 0.79 0.35 -0.55 8.24 8.81 3mtgA1 VAL 370 HA -0.03 0.15 0.94 -0.75 4.13 4.44 3mtgA1 VAL 370 HB -0.02 -0.03 0.15 -0.04 2.12 2.19 3mtgA1 VAL 370 HG13 -0.04 -0.04 -0.12 -0.04 0.97 0.73 3mtgA1 VAL 370 HG23 -0.03 0.02 -0.17 -0.04 0.95 0.73 3mtgA1 ILE 371 H -0.04 0.77 0.37 -0.55 8.25 8.80 3mtgA1 ILE 371 HA -0.04 0.32 1.03 -0.75 4.18 4.74 3mtgA1 ILE 371 HB -0.07 -0.00 0.06 -0.04 1.89 1.83 3mtgA1 ILE 371 HG12 -0.09 -0.02 -0.13 -0.04 1.49 1.21 3mtgA1 ILE 371 HG13 -0.08 -0.03 -0.70 -0.04 1.21 0.36 3mtgA1 ILE 371 HG23 -0.06 -0.03 -0.21 -0.04 0.93 0.59 3mtgA1 ILE 371 HD13 -0.16 0.01 -0.20 -0.04 0.88 0.49 3mtgA1 THR 372 H -0.02 0.52 0.34 -0.55 8.28 8.58 3mtgA1 THR 372 HA -0.01 0.18 1.04 -0.75 4.39 4.84 3mtgA1 THR 372 HB 0.02 -0.12 0.08 -0.04 4.32 4.26 3mtgA1 THR 372 HG23 0.00 0.04 -0.18 -0.04 1.22 1.04 3mtgA1 CYS 373 H -0.00 0.77 0.19 -0.55 8.50 8.90 3mtgA1 CYS 373 HA 0.01 -0.01 0.40 -0.75 4.58 4.22 3mtgA1 CYS 373 HB2 -0.02 -0.15 0.10 -0.04 2.97 2.86 3mtgA1 CYS 373 HB3 -0.02 0.12 -0.16 -0.04 2.97 2.87 3mtgA1 THR 374 H 0.03 -0.01 0.09 -0.55 8.28 7.84 3mtgA1 THR 374 HA -0.00 0.17 0.79 -0.75 4.39 4.59 3mtgA1 THR 374 HB 0.01 0.08 0.01 -0.04 4.32 4.38 3mtgA1 THR 374 HG23 0.01 0.00 -0.15 -0.04 1.22 1.03 3mtgA1 GLY 375 H 0.09 -0.01 0.15 -0.55 8.43 8.12 3mtgA1 GLY 375 HA2 -0.06 -0.08 0.31 -0.51 4.01 3.67 3mtgA1 GLY 375 HA3 -0.14 0.23 0.70 -0.51 4.01 4.28 3mtgA1 ASN 376 H 0.03 -0.15 -0.11 -0.55 8.53 7.75 3mtgA1 ASN 376 HA -0.04 0.21 0.52 -0.75 4.76 4.69 3mtgA1 ASN 376 HB2 0.00 -0.07 -0.11 -0.04 2.88 2.66 3mtgA1 ASN 376 HB3 0.04 0.00 -0.17 -0.04 2.79 2.62 3mtgA1 ASN 376 HD21 0.01 0.07 -0.03 -0.04 7.03 7.03 3mtgA1 ASN 376 HD22 0.01 -0.09 -0.06 -0.04 7.74 7.56 3mtgA1 LYS 377 H 0.05 0.24 0.08 -0.55 8.42 8.24 3mtgA1 LYS 377 HA 0.11 0.11 0.51 -0.75 4.32 4.30 3mtgA1 LYS 377 HB2 0.06 0.06 0.01 -0.04 1.87 1.96 3mtgA1 LYS 377 HB3 0.11 -0.03 -0.07 -0.04 1.79 1.75 3mtgA1 LYS 377 HG2 0.04 -0.03 0.03 -0.04 1.46 1.47 3mtgA1 LYS 377 HG3 0.04 0.04 -0.04 -0.04 1.46 1.46 3mtgA1 LYS 377 HD2 0.05 -0.01 -0.03 -0.04 1.69 1.65 3mtgA1 LYS 377 HD3 0.04 0.03 -0.03 -0.04 1.68 1.68 3mtgA1 LYS 377 HE2 0.03 0.02 -0.09 -0.04 2.99 2.91 3mtgA1 LYS 377 HE3 0.04 -0.01 -0.10 -0.04 2.99 2.88 3mtgA1 ASN 378 H 0.06 0.73 0.17 -0.55 8.53 8.94 3mtgA1 ASN 378 HA 0.06 0.03 0.13 -0.75 4.76 4.23 3mtgA1 ASN 378 HB2 0.05 0.05 -0.31 -0.04 2.88 2.62 3mtgA1 ASN 378 HB3 0.05 -0.01 0.12 -0.04 2.79 2.91 3mtgA1 ASN 378 HD21 0.03 -0.00 0.01 -0.04 7.03 7.03 3mtgA1 ASN 378 HD22 0.03 0.02 -0.00 -0.04 7.74 7.75 3mtgA1 VAL 379 H 0.06 0.33 -0.02 -0.55 8.24 8.07 3mtgA1 VAL 379 HA 0.06 0.08 0.50 -0.75 4.13 4.01 3mtgA1 VAL 379 HB 0.04 0.07 0.11 -0.04 2.12 2.30 3mtgA1 VAL 379 HG13 -0.00 -0.02 -0.07 -0.04 0.97 0.84 3mtgA1 VAL 379 HG23 0.04 -0.03 -0.17 -0.04 0.95 0.74 3mtgA1 VAL 380 H 0.08 0.51 0.17 -0.55 8.24 8.45 3mtgA1 VAL 380 HA 0.25 0.13 0.76 -0.75 4.13 4.51 3mtgA1 VAL 380 HB 0.07 -0.09 0.11 -0.04 2.12 2.17 3mtgA1 VAL 380 HG13 0.10 0.02 -0.19 -0.04 0.97 0.87 3mtgA1 VAL 380 HG23 -0.03 0.01 -0.18 -0.04 0.95 0.71 3mtgA1 THR 381 H 0.47 0.17 0.05 -0.55 8.28 8.42 3mtgA1 THR 381 HA 0.07 0.12 0.71 -0.75 4.39 4.54 3mtgA1 THR 381 HB -0.03 -0.03 0.09 -0.04 4.32 4.31 3mtgA1 THR 381 HG23 0.04 0.06 -0.11 -0.04 1.22 1.17 3mtgA1 ARG 382 H 0.04 0.20 0.12 -0.55 8.46 8.27 3mtgA1 ARG 382 HA 0.13 0.11 0.26 -0.75 4.34 4.08 3mtgA1 ARG 382 HB2 0.06 0.02 0.10 -0.04 1.90 2.05 3mtgA1 ARG 382 HB3 0.04 -0.03 0.08 -0.04 1.80 1.84 3mtgA1 ARG 382 HG2 0.07 0.06 -0.03 -0.04 1.67 1.73 3mtgA1 ARG 382 HG3 0.12 0.01 -0.20 -0.04 1.67 1.56 3mtgA1 ARG 382 HD2 0.19 -0.10 -0.04 -0.04 3.22 3.22 3mtgA1 ARG 382 HD3 0.07 0.19 -0.18 -0.04 3.22 3.26 3mtgA1 GLU 383 H -0.05 0.03 -0.30 -0.55 8.60 7.73 3mtgA1 GLU 383 HA -0.01 0.13 0.29 -0.75 4.29 3.95 3mtgA1 GLU 383 HB2 -0.29 -0.09 0.02 -0.04 2.09 1.69 3mtgA1 GLU 383 HB3 -0.11 0.09 -0.01 -0.04 1.99 1.92 3mtgA1 GLU 383 HG2 -0.07 0.07 -0.00 -0.04 2.34 2.30 3mtgA1 GLU 383 HG3 -0.03 0.04 -0.00 -0.04 2.34 2.31 3mtgA1 HIS 384 H -0.21 0.06 -0.20 -0.55 8.41 7.51 3mtgA1 HIS 384 HA -0.02 0.06 0.26 -0.75 4.63 4.18 3mtgA1 HIS 384 HB2 0.02 0.05 0.09 -0.04 3.26 3.38 3mtgA1 HIS 384 HB3 -0.01 0.05 -0.05 -0.04 3.20 3.15 3mtgA1 HIS 384 HD2 -0.01 0.06 -0.09 -0.04 6.97 6.88 3mtgA1 HIS 384 HE1 0.01 0.15 0.08 -0.04 7.75 7.94 3mtgA1 LEU 385 H 0.14 0.31 -0.20 -0.55 8.37 8.06 3mtgA1 LEU 385 HA 0.04 0.04 0.24 -0.75 4.35 3.91 3mtgA1 LEU 385 HB2 0.26 0.04 0.01 -0.04 1.64 1.90 3mtgA1 LEU 385 HB3 0.41 0.06 -0.08 -0.04 1.64 2.00 3mtgA1 LEU 385 HG 0.13 -0.09 -0.19 -0.04 1.64 1.44 3mtgA1 LEU 385 HD13 0.14 -0.04 -0.38 -0.04 0.93 0.61 3mtgA1 LEU 385 HD23 0.12 0.01 -0.15 -0.04 0.89 0.83 3mtgA1 ASP 386 H 0.10 0.48 -0.26 -0.55 8.40 8.18 3mtgA1 ASP 386 HA -0.44 0.01 0.28 -0.75 4.63 3.74 3mtgA1 ASP 386 HB2 0.03 0.16 0.09 -0.04 2.71 2.95 3mtgA1 ASP 386 HB3 0.01 -0.05 -0.02 -0.04 2.70 2.61 3mtgA1 ARG 387 H -0.07 0.26 -0.29 -0.55 8.46 7.81 3mtgA1 ARG 387 HA -0.12 0.08 0.58 -0.75 4.34 4.12 3mtgA1 ARG 387 HB2 -0.01 -0.01 0.01 -0.04 1.90 1.85 3mtgA1 ARG 387 HB3 -0.04 -0.08 -0.00 -0.04 1.80 1.64 3mtgA1 ARG 387 HG2 -0.03 0.16 -0.04 -0.04 1.67 1.72 3mtgA1 ARG 387 HG3 -0.01 -0.14 -0.07 -0.04 1.67 1.41 3mtgA1 ARG 387 HD2 -0.04 -0.01 -0.02 -0.04 3.22 3.11 3mtgA1 ARG 387 HD3 -0.06 0.10 -0.11 -0.04 3.22 3.11 3mtgA1 MET 388 H -0.16 0.23 -0.24 -0.55 8.47 7.75 3mtgA1 MET 388 HA -0.09 0.19 0.38 -0.75 4.52 4.24 3mtgA1 MET 388 HB2 -0.20 0.12 0.01 -0.04 2.15 2.03 3mtgA1 MET 388 HB3 -0.11 0.05 -0.04 -0.04 2.03 1.88 3mtgA1 MET 388 HG2 -0.05 0.02 -0.04 -0.04 2.63 2.51 3mtgA1 MET 388 HG3 -0.04 0.14 -0.09 -0.04 2.56 2.52 3mtgA1 MET 388 HE3 0.02 -0.06 -0.24 -0.04 2.10 1.78 3mtgA1 LYS 389 H -0.09 0.16 0.13 -0.55 8.42 8.06 3mtgA1 LYS 389 HA -0.12 0.05 0.56 -0.75 4.32 4.04 3mtgA1 LYS 389 HB2 -0.06 -0.05 0.12 -0.04 1.87 1.83 3mtgA1 LYS 389 HB3 -0.07 0.14 0.12 -0.04 1.79 1.95 3mtgA1 LYS 389 HG2 -0.05 0.03 -0.16 -0.04 1.46 1.24 3mtgA1 LYS 389 HG3 -0.05 -0.06 -0.12 -0.04 1.46 1.19 3mtgA1 LYS 389 HD2 -0.03 -0.02 -0.03 -0.04 1.69 1.56 3mtgA1 LYS 389 HD3 -0.03 -0.01 -0.02 -0.04 1.68 1.58 3mtgA1 LYS 389 HE2 -0.01 0.13 -0.53 -0.04 2.99 2.54 3mtgA1 LYS 389 HE3 -0.02 -0.04 -0.13 -0.04 2.99 2.76 3mtgA1 ASN 390 H -0.10 0.06 0.16 -0.55 8.53 8.10 3mtgA1 ASN 390 HA -0.11 0.10 0.55 -0.75 4.76 4.54 3mtgA1 ASN 390 HB2 -0.08 -0.03 0.19 -0.04 2.88 2.92 3mtgA1 ASN 390 HB3 -0.06 0.01 0.16 -0.04 2.79 2.86 3mtgA1 ASN 390 HD21 -0.03 -0.00 -0.04 -0.04 7.03 6.91 3mtgA1 ASN 390 HD22 -0.04 0.00 -0.09 -0.04 7.74 7.57 3mtgA1 SER 391 H -0.10 0.42 0.34 -0.55 8.46 8.58 3mtgA1 SER 391 HA -0.11 -0.05 0.28 -0.75 4.49 3.86 3mtgA1 SER 391 HB2 -0.04 -0.03 0.16 -0.04 3.95 3.99 3mtgA1 SER 391 HB3 -0.05 -0.09 -0.10 -0.04 3.93 3.65 3mtgA1 CYS 392 H -0.08 0.36 -0.08 -0.55 8.50 8.16 3mtgA1 CYS 392 HA -0.02 0.19 0.45 -0.75 4.58 4.45 3mtgA1 CYS 392 HB2 -0.06 0.18 0.06 -0.04 2.97 3.11 3mtgA1 CYS 392 HB3 -0.07 -0.11 0.00 -0.04 2.97 2.75 3mtgA1 ILE 393 H 0.01 0.59 0.35 -0.55 8.25 8.65 3mtgA1 ILE 393 HA 0.01 0.22 0.96 -0.75 4.18 4.62 3mtgA1 ILE 393 HB 0.06 -0.06 0.24 -0.04 1.89 2.09 3mtgA1 ILE 393 HG12 0.06 -0.03 0.01 -0.04 1.49 1.48 3mtgA1 ILE 393 HG13 0.04 0.22 -0.01 -0.04 1.21 1.42 3mtgA1 ILE 393 HG23 0.06 -0.03 -0.09 -0.04 0.93 0.82 3mtgA1 ILE 393 HD13 0.15 -0.02 -0.05 -0.04 0.88 0.92 3mtgA1 VAL 394 H 0.02 0.77 0.38 -0.55 8.24 8.86 3mtgA1 VAL 394 HA -0.00 0.15 1.01 -0.75 4.13 4.54 3mtgA1 VAL 394 HB 0.02 -0.06 0.09 -0.04 2.12 2.13 3mtgA1 VAL 394 HG13 0.02 -0.03 -0.11 -0.04 0.97 0.80 3mtgA1 VAL 394 HG23 0.01 0.04 -0.28 -0.04 0.95 0.68 3mtgA1 CYS 395 H -0.01 0.70 0.34 -0.55 8.50 8.99 3mtgA1 CYS 395 HA 0.01 0.16 0.98 -0.75 4.58 4.97 3mtgA1 CYS 395 HB2 -0.01 0.06 -0.19 -0.04 2.97 2.79 3mtgA1 CYS 395 HB3 -0.04 0.01 0.05 -0.04 2.97 2.95 3mtgA1 ASN 396 H 0.01 0.35 0.09 -0.55 8.53 8.42 3mtgA1 ASN 396 HA -0.00 0.04 1.08 -0.75 4.76 5.12 3mtgA1 ASN 396 HB2 0.01 -0.05 -0.08 -0.04 2.88 2.72 3mtgA1 ASN 396 HB3 0.00 0.19 -0.22 -0.04 2.79 2.72 3mtgA1 ASN 396 HD21 -0.07 0.18 -0.21 -0.04 7.03 6.88 3mtgA1 ASN 396 HD22 -0.03 0.80 0.13 -0.04 7.74 8.60 3mtgA1 MET 397 H -0.01 0.70 0.28 -0.55 8.47 8.89 3mtgA1 MET 397 HA -0.01 0.12 0.86 -0.75 4.52 4.73 3mtgA1 MET 397 HB2 -0.03 -0.02 0.01 -0.04 2.15 2.07 3mtgA1 MET 397 HB3 -0.04 0.01 0.17 -0.04 2.03 2.14 3mtgA1 MET 397 HG2 -0.03 0.00 -0.22 -0.04 2.63 2.34 3mtgA1 MET 397 HG3 -0.04 -0.04 -0.23 -0.04 2.56 2.21 3mtgA1 MET 397 HE3 -0.07 -0.02 -0.07 -0.04 2.10 1.90 3mtgA1 GLY 398 H 0.01 0.07 -0.11 -0.55 8.43 7.86 3mtgA1 GLY 398 HA2 0.03 0.15 0.64 -0.51 4.01 4.33 3mtgA1 GLY 398 HA3 0.07 -0.24 0.33 -0.51 4.01 3.65 3mtgA1 HIS 399 H 0.26 -0.01 0.11 -0.55 8.41 8.22 3mtgA1 HIS 399 HA 0.00 0.23 0.88 -0.75 4.63 4.99 3mtgA1 HIS 399 HB2 -0.00 -0.00 0.09 -0.04 3.26 3.30 3mtgA1 HIS 399 HB3 -0.01 -0.03 0.01 -0.04 3.20 3.13 3mtgA1 HIS 399 HD2 -0.01 -0.01 -0.08 -0.04 6.97 6.83 3mtgA1 HIS 399 HE1 0.00 0.21 -0.51 -0.04 7.75 7.40 3mtgA1 SER 400 H -0.04 0.09 0.15 -0.55 8.46 8.11 3mtgA1 SER 400 HA -0.08 0.07 0.35 -0.75 4.49 4.08 3mtgA1 SER 400 HB2 -0.13 0.02 0.05 -0.04 3.95 3.85 3mtgA1 SER 400 HB3 -0.52 -0.08 0.05 -0.04 3.93 3.34 3mtgA1 ASN 401 H -0.16 0.03 0.21 -0.55 8.53 8.06 3mtgA1 ASN 401 HA -0.06 0.49 0.68 -0.75 4.76 5.12 3mtgA1 ASN 401 HB2 0.00 0.14 0.07 -0.04 2.88 3.05 3mtgA1 ASN 401 HB3 -0.02 0.02 -0.25 -0.04 2.79 2.50 3mtgA1 ASN 401 HD21 -0.00 -0.02 -0.02 -0.04 7.03 6.94 3mtgA1 ASN 401 HD22 0.01 0.16 0.01 -0.04 7.74 7.87 3mtgA1 THR 402 H -0.20 0.10 0.17 -0.55 8.28 7.80 3mtgA1 THR 402 HA 0.00 0.26 0.73 -0.75 4.39 4.63 3mtgA1 THR 402 HB 0.04 -0.03 0.12 -0.04 4.32 4.41 3mtgA1 THR 402 HG23 0.00 0.01 -0.03 -0.04 1.22 1.16 3mtgA1 GLU 403 H -0.05 0.18 0.01 -0.55 8.60 8.20 3mtgA1 GLU 403 HA 0.07 0.08 0.40 -0.75 4.29 4.09 3mtgA1 GLU 403 HB2 0.02 0.11 0.06 -0.04 2.09 2.24 3mtgA1 GLU 403 HB3 0.05 -0.11 0.06 -0.04 1.99 1.95 3mtgA1 GLU 403 HG2 0.16 0.37 0.11 -0.04 2.34 2.95 3mtgA1 GLU 403 HG3 0.01 0.27 0.09 -0.04 2.34 2.66 3mtgA1 ILE 404 H 0.03 0.25 -0.20 -0.55 8.25 7.77 3mtgA1 ILE 404 HA 0.06 0.20 0.78 -0.75 4.18 4.47 3mtgA1 ILE 404 HB 0.05 0.04 0.00 -0.04 1.89 1.95 3mtgA1 ILE 404 HG12 0.04 0.05 -0.14 -0.04 1.49 1.40 3mtgA1 ILE 404 HG13 0.03 -0.21 -0.34 -0.04 1.21 0.64 3mtgA1 ILE 404 HG23 0.07 0.02 -0.22 -0.04 0.93 0.76 3mtgA1 ILE 404 HD13 0.03 0.06 -0.25 -0.04 0.88 0.68 3mtgA1 ASP 405 H 0.08 0.65 0.14 -0.55 8.40 8.72 3mtgA1 ASP 405 HA 0.06 0.12 0.65 -0.75 4.63 4.70 3mtgA1 ASP 405 HB2 0.06 0.04 0.12 -0.04 2.71 2.89 3mtgA1 ASP 405 HB3 0.07 -0.08 0.25 -0.04 2.70 2.90 3mtgA1 VAL 406 H 0.08 0.64 -0.01 -0.55 8.24 8.40 3mtgA1 VAL 406 HA 0.17 0.07 0.28 -0.75 4.13 3.89 3mtgA1 VAL 406 HB 0.10 0.06 0.12 -0.04 2.12 2.36 3mtgA1 VAL 406 HG13 0.32 0.03 -0.14 -0.04 0.97 1.14 3mtgA1 VAL 406 HG23 0.11 0.06 -0.18 -0.04 0.95 0.90 3mtgA1 THR 407 H 0.06 0.10 -0.13 -0.55 8.28 7.77 3mtgA1 THR 407 HA 0.04 0.13 0.28 -0.75 4.39 4.08 3mtgA1 THR 407 HB 0.01 0.07 0.09 -0.04 4.32 4.45 3mtgA1 THR 407 HG23 0.02 0.00 0.04 -0.04 1.22 1.24 3mtgA1 SER 408 H 0.07 0.22 -0.52 -0.55 8.46 7.68 3mtgA1 SER 408 HA 0.04 0.11 0.44 -0.75 4.49 4.33 3mtgA1 SER 408 HB2 0.05 -0.02 0.11 -0.04 3.95 4.05 3mtgA1 SER 408 HB3 0.05 -0.09 0.08 -0.04 3.93 3.92 3mtgA1 LEU 409 H 0.14 0.48 -0.35 -0.55 8.37 8.10 3mtgA1 LEU 409 HA -0.01 0.10 0.61 -0.75 4.35 4.30 3mtgA1 LEU 409 HB2 0.37 0.15 0.07 -0.04 1.64 2.18 3mtgA1 LEU 409 HB3 -0.04 -0.02 0.09 -0.04 1.64 1.64 3mtgA1 LEU 409 HG 0.10 -0.05 -0.11 -0.04 1.64 1.55 3mtgA1 LEU 409 HD13 0.03 -0.02 -0.10 -0.04 0.93 0.80 3mtgA1 LEU 409 HD23 -0.00 0.01 -0.12 -0.04 0.89 0.74 3mtgA1 ARG 410 H 0.10 0.29 -0.58 -0.55 8.46 7.72 3mtgA1 ARG 410 HA 0.14 0.20 0.72 -0.75 4.34 4.64 3mtgA1 ARG 410 HB2 -0.02 0.09 0.13 -0.04 1.90 2.06 3mtgA1 ARG 410 HB3 -0.08 -0.03 0.17 -0.04 1.80 1.82 3mtgA1 ARG 410 HG2 -0.40 -0.01 -0.03 -0.04 1.67 1.19 3mtgA1 ARG 410 HG3 -0.30 0.06 -0.20 -0.04 1.67 1.19 3mtgA1 ARG 410 HD2 -0.05 -0.01 -0.14 -0.04 3.22 2.98 3mtgA1 ARG 410 HD3 -0.18 -0.04 -0.04 -0.04 3.22 2.92 3mtgA1 THR 411 H 0.04 0.28 -0.34 -0.55 8.28 7.71 3mtgA1 THR 411 HA -0.01 0.16 0.70 -0.75 4.39 4.49 3mtgA1 THR 411 HB -0.05 -0.04 0.01 -0.04 4.32 4.19 3mtgA1 THR 411 HG23 -0.02 -0.03 0.04 -0.04 1.22 1.17 3mtgA1 PRO 412 HA -0.00 0.15 0.39 -0.51 4.44 4.47 3mtgA1 PRO 412 HB2 -0.01 0.01 0.00 -0.04 2.28 2.24 3mtgA1 PRO 412 HB3 -0.01 0.04 0.09 -0.04 2.02 2.10 3mtgA1 PRO 412 HG2 -0.01 0.02 0.08 -0.04 2.03 2.09 3mtgA1 PRO 412 HG3 -0.01 0.06 0.08 -0.04 2.03 2.11 3mtgA1 PRO 412 HD2 -0.01 0.06 0.19 -0.04 3.68 3.88 3mtgA1 PRO 412 HD3 -0.01 0.16 0.22 -0.04 3.65 3.98 3mtgA1 GLU 413 H -0.03 0.01 -0.29 -0.55 8.60 7.74 3mtgA1 GLU 413 HA -0.02 0.11 0.46 -0.75 4.29 4.09 3mtgA1 GLU 413 HB2 -0.02 0.01 0.10 -0.04 2.09 2.14 3mtgA1 GLU 413 HB3 -0.03 -0.06 0.06 -0.04 1.99 1.92 3mtgA1 GLU 413 HG2 -0.14 0.07 -0.37 -0.04 2.34 1.86 3mtgA1 GLU 413 HG3 -0.03 -0.03 -0.02 -0.04 2.34 2.22 3mtgA1 LEU 414 H -0.07 0.31 -0.28 -0.55 8.37 7.78 3mtgA1 LEU 414 HA -0.23 0.22 0.79 -0.75 4.35 4.38 3mtgA1 LEU 414 HB2 -0.08 0.07 0.09 -0.04 1.64 1.67 3mtgA1 LEU 414 HB3 -0.34 -0.01 -0.07 -0.04 1.64 1.17 3mtgA1 LEU 414 HG -0.41 -0.14 -0.11 -0.04 1.64 0.94 3mtgA1 LEU 414 HD13 -0.58 -0.02 -0.03 -0.04 0.93 0.25 3mtgA1 LEU 414 HD23 -1.41 0.02 -0.17 -0.04 0.89 -0.71 3mtgA1 THR 415 H -0.10 0.53 0.24 -0.55 8.28 8.40 3mtgA1 THR 415 HA 0.14 0.11 0.88 -0.75 4.39 4.76 3mtgA1 THR 415 HB 0.06 -0.02 -0.01 -0.04 4.32 4.31 3mtgA1 THR 415 HG23 0.03 0.02 -0.17 -0.04 1.22 1.06 3mtgA1 TRP 416 H 0.38 0.18 0.16 -0.55 7.97 8.14 3mtgA1 TRP 416 HA 0.01 0.21 0.78 -0.75 4.62 4.86 3mtgA1 TRP 416 HB2 -0.02 0.00 0.11 -0.04 3.23 3.28 3mtgA1 TRP 416 HB3 -0.00 -0.06 -0.08 -0.04 3.23 3.04 3mtgA1 TRP 416 HD1 -0.07 0.07 -0.17 -0.04 7.22 7.01 3mtgA1 TRP 416 HE1 -0.10 0.46 -0.01 -0.04 10.20 10.51 3mtgA1 TRP 416 HE3 0.00 -0.03 -0.11 -0.04 7.59 7.41 3mtgA1 TRP 416 HZ2 -0.04 0.01 -0.22 -0.04 7.44 7.15 3mtgA1 TRP 416 HZ3 0.01 -0.07 -0.09 -0.04 7.13 6.94 3mtgA1 TRP 416 HH2 0.00 -0.06 -0.11 -0.04 7.19 6.98 3mtgA1 GLU 417 H 0.11 0.37 0.24 -0.55 8.60 8.77 3mtgA1 GLU 417 HA 0.08 0.13 0.82 -0.75 4.29 4.57 3mtgA1 GLU 417 HB2 0.06 0.06 -0.13 -0.04 2.09 2.04 3mtgA1 GLU 417 HB3 0.05 -0.04 0.22 -0.04 1.99 2.18 3mtgA1 GLU 417 HG2 -0.02 -0.01 -0.20 -0.04 2.34 2.08 3mtgA1 GLU 417 HG3 0.03 0.02 -0.02 -0.04 2.34 2.33 3mtgA1 ARG 418 H 0.06 0.18 0.07 -0.55 8.46 8.22 3mtgA1 ARG 418 HA 0.04 0.18 0.93 -0.75 4.34 4.73 3mtgA1 ARG 418 HB2 0.07 -0.06 0.11 -0.04 1.90 1.97 3mtgA1 ARG 418 HB3 0.03 0.00 0.15 -0.04 1.80 1.94 3mtgA1 ARG 418 HG2 0.02 0.35 0.07 -0.04 1.67 2.08 3mtgA1 ARG 418 HG3 0.07 0.01 -0.06 -0.04 1.67 1.64 3mtgA1 ARG 418 HD2 0.03 0.00 0.00 -0.04 3.22 3.22 3mtgA1 ARG 418 HD3 0.04 -0.23 0.06 -0.04 3.22 3.05 3mtgA1 VAL 419 H -0.13 0.28 0.29 -0.55 8.24 8.13 3mtgA1 VAL 419 HA -0.09 0.07 0.53 -0.75 4.13 3.89 3mtgA1 VAL 419 HB -0.18 0.01 0.02 -0.04 2.12 1.93 3mtgA1 VAL 419 HG13 -0.34 0.01 -0.01 -0.04 0.97 0.58 3mtgA1 VAL 419 HG23 -0.48 0.01 -0.03 -0.04 0.95 0.41 3mtgA1 ARG 420 H -0.04 0.30 0.09 -0.55 8.46 8.25 3mtgA1 ARG 420 HA -0.01 0.14 0.59 -0.75 4.34 4.30 3mtgA1 ARG 420 HB2 -0.00 0.05 -0.06 -0.04 1.90 1.84 3mtgA1 ARG 420 HB3 0.00 -0.08 0.14 -0.04 1.80 1.82 3mtgA1 ARG 420 HG2 -0.01 0.01 -0.01 -0.04 1.67 1.62 3mtgA1 ARG 420 HG3 -0.03 -0.05 -0.50 -0.04 1.67 1.04 3mtgA1 ARG 420 HD2 0.00 0.01 -0.10 -0.04 3.22 3.09 3mtgA1 ARG 420 HD3 0.01 0.04 -0.10 -0.04 3.22 3.14 3mtgA1 SER 421 H 0.00 0.16 0.12 -0.55 8.46 8.19 3mtgA1 SER 421 HA 0.01 0.02 0.48 -0.75 4.49 4.25 3mtgA1 SER 421 HB2 0.00 0.02 0.13 -0.04 3.95 4.06 3mtgA1 SER 421 HB3 0.01 0.05 0.15 -0.04 3.93 4.10 3mtgA1 GLN 422 H 0.03 0.12 0.21 -0.55 8.47 8.28 3mtgA1 GLN 422 HA 0.05 -0.03 0.35 -0.75 4.36 3.97 3mtgA1 GLN 422 HB2 0.03 0.25 -0.17 -0.04 2.15 2.22 3mtgA1 GLN 422 HB3 0.04 -0.17 0.26 -0.04 2.02 2.11 3mtgA1 GLN 422 HG2 0.02 -0.03 0.07 -0.04 2.40 2.42 3mtgA1 GLN 422 HG3 0.02 -0.03 -0.07 -0.04 2.39 2.27 3mtgA1 GLN 422 HE21 0.01 0.17 0.04 -0.04 6.97 7.16 3mtgA1 GLN 422 HE22 0.02 -0.02 -0.05 -0.04 7.69 7.59 3mtgA1 VAL 423 H 0.03 0.42 -0.42 -0.55 8.24 7.72 3mtgA1 VAL 423 HA 0.06 0.16 0.95 -0.75 4.13 4.55 3mtgA1 VAL 423 HB 0.00 -0.17 0.03 -0.04 2.12 1.94 3mtgA1 VAL 423 HG13 0.08 0.00 -0.14 -0.04 0.97 0.87 3mtgA1 VAL 423 HG23 0.04 0.12 -0.11 -0.04 0.95 0.95 3mtgA1 ASP 424 H 0.08 0.66 0.29 -0.55 8.40 8.88 3mtgA1 ASP 424 HA 0.06 0.21 1.00 -0.75 4.63 5.15 3mtgA1 ASP 424 HB2 0.11 0.02 0.08 -0.04 2.71 2.88 3mtgA1 ASP 424 HB3 0.07 0.02 -0.14 -0.04 2.70 2.60 3mtgA1 HIS 425 H 0.07 0.56 0.31 -0.55 8.41 8.81 3mtgA1 HIS 425 HA -0.06 0.26 0.91 -0.75 4.63 4.99 3mtgA1 HIS 425 HB2 -0.01 0.02 0.25 -0.04 3.26 3.49 3mtgA1 HIS 425 HB3 -0.01 0.02 0.00 -0.04 3.20 3.17 3mtgA1 HIS 425 HD2 -0.01 0.01 -0.37 -0.04 6.97 6.55 3mtgA1 HIS 425 HE1 0.01 0.03 -0.03 -0.04 7.75 7.71 3mtgA1 VAL 426 H -0.12 0.53 0.21 -0.55 8.24 8.32 3mtgA1 VAL 426 HA -0.51 0.22 0.81 -0.75 4.13 3.89 3mtgA1 VAL 426 HB -0.26 -0.03 0.17 -0.04 2.12 1.97 3mtgA1 VAL 426 HG13 -0.95 0.00 -0.11 -0.04 0.97 -0.12 3mtgA1 VAL 426 HG23 -1.10 0.00 -0.10 -0.04 0.95 -0.29 3mtgA1 ILE 427 H -0.09 0.65 0.22 -0.55 8.25 8.47 3mtgA1 ILE 427 HA 0.20 0.20 0.77 -0.75 4.18 4.59 3mtgA1 ILE 427 HB 0.04 -0.02 0.09 -0.04 1.89 1.96 3mtgA1 ILE 427 HG12 0.07 0.02 -0.08 -0.04 1.49 1.45 3mtgA1 ILE 427 HG13 0.06 -0.15 -0.29 -0.04 1.21 0.78 3mtgA1 ILE 427 HG23 0.08 0.08 -0.23 -0.04 0.93 0.82 3mtgA1 ILE 427 HD13 0.06 0.06 -0.00 -0.04 0.88 0.96 3mtgA1 TRP 428 H 0.55 0.70 0.21 -0.55 7.97 8.87 3mtgA1 TRP 428 HA -0.02 0.11 0.49 -0.75 4.62 4.45 3mtgA1 TRP 428 HB2 -0.03 0.12 0.16 -0.04 3.23 3.43 3mtgA1 TRP 428 HB3 -0.02 -0.15 0.09 -0.04 3.23 3.11 3mtgA1 TRP 428 HD1 -0.01 -0.04 0.02 -0.04 7.22 7.15 3mtgA1 TRP 428 HE1 -0.01 -0.06 -0.05 -0.04 10.20 10.04 3mtgA1 TRP 428 HE3 -0.08 0.18 0.03 -0.04 7.59 7.69 3mtgA1 TRP 428 HZ2 -0.02 -0.11 -0.27 -0.04 7.44 7.00 3mtgA1 TRP 428 HZ3 -0.13 0.02 -0.02 -0.04 7.13 6.96 3mtgA1 TRP 428 HH2 -0.07 -0.12 -0.16 -0.04 7.19 6.80 3mtgA1 PRO 429 HA 0.06 0.16 0.47 -0.51 4.44 4.61 3mtgA1 PRO 429 HB2 0.07 -0.01 0.05 -0.04 2.28 2.35 3mtgA1 PRO 429 HB3 0.04 0.04 0.14 -0.04 2.02 2.20 3mtgA1 PRO 429 HG2 0.05 -0.03 0.09 -0.04 2.03 2.11 3mtgA1 PRO 429 HG3 0.01 0.25 0.14 -0.04 2.03 2.39 3mtgA1 PRO 429 HD2 0.24 0.03 0.19 -0.04 3.68 4.10 3mtgA1 PRO 429 HD3 -0.00 0.12 0.18 -0.04 3.65 3.90 3mtgA1 ASP 430 H 0.17 0.07 -0.23 -0.55 8.40 7.86 3mtgA1 ASP 430 HA 0.05 0.15 0.48 -0.75 4.63 4.56 3mtgA1 ASP 430 HB2 0.02 0.03 0.15 -0.04 2.71 2.87 3mtgA1 ASP 430 HB3 0.06 -0.01 0.07 -0.04 2.70 2.78 3mtgA1 GLY 431 H 0.11 0.42 -0.52 -0.55 8.43 7.90 3mtgA1 GLY 431 HA2 0.06 0.06 0.24 -0.51 4.01 3.85 3mtgA1 GLY 431 HA3 0.04 0.15 0.61 -0.51 4.01 4.29 3mtgA1 LYS 432 H 0.05 0.03 -0.32 -0.55 8.42 7.63 3mtgA1 LYS 432 HA -0.03 0.03 0.52 -0.75 4.32 4.08 3mtgA1 LYS 432 HB2 -0.11 0.02 0.05 -0.04 1.87 1.79 3mtgA1 LYS 432 HB3 -0.17 -0.08 0.07 -0.04 1.79 1.57 3mtgA1 LYS 432 HG2 -0.20 0.05 -0.25 -0.04 1.46 1.02 3mtgA1 LYS 432 HG3 -0.18 -0.11 0.00 -0.04 1.46 1.13 3mtgA1 LYS 432 HD2 -0.38 0.41 -0.09 -0.04 1.69 1.59 3mtgA1 LYS 432 HD3 -0.54 -0.09 -0.05 -0.04 1.68 0.96 3mtgA1 LYS 432 HE2 -1.15 -0.20 -0.25 -0.04 2.99 1.35 3mtgA1 LYS 432 HE3 -0.58 0.00 -0.38 -0.04 2.99 1.99 3mtgA1 ARG 433 H -0.04 0.10 0.30 -0.55 8.46 8.27 3mtgA1 ARG 433 HA 0.16 0.38 1.02 -0.75 4.34 5.15 3mtgA1 ARG 433 HB2 -0.04 -0.04 -0.17 -0.04 1.90 1.61 3mtgA1 ARG 433 HB3 -0.00 0.08 -0.07 -0.04 1.80 1.77 3mtgA1 ARG 433 HG2 -0.16 -0.16 0.00 -0.04 1.67 1.31 3mtgA1 ARG 433 HG3 -0.45 0.00 -0.28 -0.04 1.67 0.90 3mtgA1 ARG 433 HD2 -0.22 0.01 -0.03 -0.04 3.22 2.95 3mtgA1 ARG 433 HD3 -0.10 -0.00 -0.05 -0.04 3.22 3.03 3mtgA1 VAL 434 H 0.09 0.42 0.24 -0.55 8.24 8.44 3mtgA1 VAL 434 HA -0.07 0.26 0.91 -0.75 4.13 4.48 3mtgA1 VAL 434 HB -0.01 0.04 -0.07 -0.04 2.12 2.05 3mtgA1 VAL 434 HG13 -0.15 0.03 -0.19 -0.04 0.97 0.61 3mtgA1 VAL 434 HG23 0.20 -0.02 -0.03 -0.04 0.95 1.05 3mtgA1 VAL 435 H -0.07 0.76 0.17 -0.55 8.24 8.55 3mtgA1 VAL 435 HA 0.06 0.12 0.73 -0.75 4.13 4.29 3mtgA1 VAL 435 HB 0.01 -0.00 0.19 -0.04 2.12 2.27 3mtgA1 VAL 435 HG13 0.14 -0.01 -0.05 -0.04 0.97 1.01 3mtgA1 VAL 435 HG23 -0.22 0.01 -0.08 -0.04 0.95 0.63 3mtgA1 LEU 436 H 0.03 0.84 0.42 -0.55 8.37 9.12 3mtgA1 LEU 436 HA 0.02 0.17 1.08 -0.75 4.35 4.87 3mtgA1 LEU 436 HB2 -0.05 0.03 -0.05 -0.04 1.64 1.53 3mtgA1 LEU 436 HB3 -0.08 -0.01 0.13 -0.04 1.64 1.64 3mtgA1 LEU 436 HG 0.07 0.01 -0.28 -0.04 1.64 1.39 3mtgA1 LEU 436 HD13 0.04 0.00 -0.09 -0.04 0.93 0.85 3mtgA1 LEU 436 HD23 0.11 -0.02 -0.15 -0.04 0.89 0.80 3mtgA1 LEU 437 H 0.04 0.52 0.32 -0.55 8.37 8.71 3mtgA1 LEU 437 HA 0.06 0.32 0.78 -0.75 4.35 4.75 3mtgA1 LEU 437 HB2 0.03 -0.12 0.17 -0.04 1.64 1.68 3mtgA1 LEU 437 HB3 0.04 0.04 0.10 -0.04 1.64 1.78 3mtgA1 LEU 437 HG 0.04 0.11 0.04 -0.04 1.64 1.79 3mtgA1 LEU 437 HD13 0.04 -0.02 -0.07 -0.04 0.93 0.84 3mtgA1 LEU 437 HD23 0.07 0.01 -0.13 -0.04 0.89 0.80 3mtgA1 ALA 438 H 0.06 0.91 0.40 -0.55 8.40 9.21 3mtgA1 ALA 438 HA 0.05 0.01 0.34 -0.75 4.34 3.98 3mtgA1 ALA 438 HB3 0.03 0.07 -0.07 -0.04 1.41 1.40 3mtgA1 GLU 439 H 0.12 0.19 -0.46 -0.55 8.60 7.91 3mtgA1 GLU 439 HA 0.23 0.05 0.14 -0.75 4.29 3.96 3mtgA1 GLU 439 HB2 0.08 0.09 -0.13 -0.04 2.09 2.08 3mtgA1 GLU 439 HB3 0.10 -0.02 0.20 -0.04 1.99 2.23 3mtgA1 GLU 439 HG2 0.32 0.03 -0.03 -0.04 2.34 2.61 3mtgA1 GLU 439 HG3 0.21 -0.03 -0.10 -0.04 2.34 2.38 3mtgA1 GLY 440 H 0.07 0.49 -0.16 -0.55 8.43 8.29 3mtgA1 GLY 440 HA2 0.04 -0.04 0.26 -0.51 4.01 3.76 3mtgA1 GLY 440 HA3 0.06 0.06 0.53 -0.51 4.01 4.14 3mtgA1 ARG 441 H 0.03 0.32 -0.39 -0.55 8.46 7.87 3mtgA1 ARG 441 HA -0.01 0.31 0.79 -0.75 4.34 4.67 3mtgA1 ARG 441 HB2 0.02 0.13 -0.00 -0.04 1.90 2.01 3mtgA1 ARG 441 HB3 0.00 -0.13 0.08 -0.04 1.80 1.72 3mtgA1 ARG 441 HG2 -0.00 -0.10 -0.14 -0.04 1.67 1.38 3mtgA1 ARG 441 HG3 0.02 0.14 -0.09 -0.04 1.67 1.69 3mtgA1 ARG 441 HD2 0.01 0.06 -0.01 -0.04 3.22 3.25 3mtgA1 ARG 441 HD3 0.01 -0.09 -0.02 -0.04 3.22 3.08 3mtgA1 LEU 442 H -0.00 0.08 0.09 -0.55 8.37 7.99 3mtgA1 LEU 442 HA 0.00 0.35 0.61 -0.75 4.35 4.55 3mtgA1 LEU 442 HB2 0.00 0.03 0.07 -0.04 1.64 1.71 3mtgA1 LEU 442 HB3 0.01 -0.16 -0.01 -0.04 1.64 1.44 3mtgA1 LEU 442 HG -0.00 0.08 -0.01 -0.04 1.64 1.67 3mtgA1 LEU 442 HD13 0.01 0.06 -0.02 -0.04 0.93 0.93 3mtgA1 LEU 442 HD23 -0.01 -0.05 0.08 -0.04 0.89 0.86 3mtgA1 LEU 443 H 0.00 0.19 0.19 -0.55 8.37 8.21 3mtgA1 LEU 443 HA 0.01 0.18 0.43 -0.75 4.35 4.23 3mtgA1 LEU 443 HB2 0.00 -0.08 0.12 -0.04 1.64 1.64 3mtgA1 LEU 443 HB3 0.01 0.05 -0.06 -0.04 1.64 1.60 3mtgA1 LEU 443 HG 0.02 0.06 -0.05 -0.04 1.64 1.63 3mtgA1 LEU 443 HD13 0.02 0.01 -0.22 -0.04 0.93 0.70 3mtgA1 LEU 443 HD23 0.03 0.03 -0.01 -0.04 0.89 0.90 3mtgA1 ASN 444 H -0.00 0.11 -0.05 -0.55 8.53 8.04 3mtgA1 ASN 444 HA 0.01 0.07 0.27 -0.75 4.76 4.35 3mtgA1 ASN 444 HB2 -0.01 0.02 0.05 -0.04 2.88 2.90 3mtgA1 ASN 444 HB3 -0.03 0.03 0.08 -0.04 2.79 2.83 3mtgA1 ASN 444 HD21 -0.01 -0.02 -0.07 -0.04 7.03 6.89 3mtgA1 ASN 444 HD22 -0.08 0.03 -0.05 -0.04 7.74 7.60 3mtgA1 LEU 445 H 0.01 0.18 -0.66 -0.55 8.37 7.36 3mtgA1 LEU 445 HA 0.03 0.02 0.41 -0.75 4.35 4.05 3mtgA1 LEU 445 HB2 0.02 0.23 -0.02 -0.04 1.64 1.82 3mtgA1 LEU 445 HB3 0.03 -0.03 0.10 -0.04 1.64 1.69 3mtgA1 LEU 445 HG 0.02 -0.09 -0.06 -0.04 1.64 1.47 3mtgA1 LEU 445 HD13 0.02 0.02 0.04 -0.04 0.93 0.97 3mtgA1 LEU 445 HD23 0.04 -0.02 0.01 -0.04 0.89 0.88 3mtgA1 SER 446 H 0.01 0.44 -0.46 -0.55 8.46 7.91 3mtgA1 SER 446 HA -0.00 0.07 0.53 -0.75 4.49 4.33 3mtgA1 SER 446 HB2 0.01 0.04 0.08 -0.04 3.95 4.04 3mtgA1 SER 446 HB3 -0.00 -0.01 0.16 -0.04 3.93 4.03 3mtgA1 CYS 447 H 0.01 0.16 -0.07 -0.55 8.50 8.05 3mtgA1 CYS 447 HA 0.01 0.17 0.71 -0.75 4.58 4.72 3mtgA1 CYS 447 HB2 0.02 -0.12 -0.06 -0.04 2.97 2.77 3mtgA1 CYS 447 HB3 0.02 -0.01 -0.06 -0.04 2.97 2.88 3mtgA1 SER 448 H 0.03 0.16 0.14 -0.55 8.46 8.24 3mtgA1 SER 448 HA 0.03 0.21 0.76 -0.75 4.49 4.73 3mtgA1 SER 448 HB2 0.08 0.01 0.07 -0.04 3.95 4.07 3mtgA1 SER 448 HB3 0.06 -0.08 0.20 -0.04 3.93 4.07 3mtgA1 THR 449 H 0.05 0.24 0.17 -0.55 8.28 8.19 3mtgA1 THR 449 HA 0.03 0.12 0.66 -0.75 4.39 4.45 3mtgA1 THR 449 HB -0.01 -0.05 0.08 -0.04 4.32 4.30 3mtgA1 THR 449 HG23 -0.02 0.01 -0.11 -0.04 1.22 1.06 3mtgA1 VAL 450 H 0.01 0.07 0.10 -0.55 8.24 7.88 3mtgA1 VAL 450 HA -0.12 0.18 0.54 -0.75 4.13 3.97 3mtgA1 VAL 450 HB 0.10 0.01 0.05 -0.04 2.12 2.24 3mtgA1 VAL 450 HG13 0.01 -0.02 0.03 -0.04 0.97 0.95 3mtgA1 VAL 450 HG23 -0.05 0.03 -0.07 -0.04 0.95 0.82 3mtgA1 PRO 451 HA -0.07 0.11 0.44 -0.51 4.44 4.40 3mtgA1 PRO 451 HB2 -0.07 -0.17 0.11 -0.04 2.28 2.10 3mtgA1 PRO 451 HB3 -0.05 0.12 0.16 -0.04 2.02 2.21 3mtgA1 PRO 451 HG2 -0.43 0.09 0.12 -0.04 2.03 1.77 3mtgA1 PRO 451 HG3 -0.21 0.15 0.13 -0.04 2.03 2.06 3mtgA1 PRO 451 HD2 -1.04 0.03 0.22 -0.04 3.68 2.84 3mtgA1 PRO 451 HD3 -0.93 0.25 0.29 -0.04 3.65 3.22 3mtgA1 THR 452 H -0.01 0.24 0.21 -0.55 8.28 8.17 3mtgA1 THR 452 HA -0.03 0.01 0.41 -0.75 4.39 4.03 3mtgA1 THR 452 HB 0.01 0.09 0.12 -0.04 4.32 4.49 3mtgA1 THR 452 HG23 -0.05 0.02 -0.05 -0.04 1.22 1.10 3mtgA1 PHE 453 H 0.15 0.10 -0.22 -0.55 8.34 7.83 3mtgA1 PHE 453 HA -0.01 0.16 0.48 -0.75 4.62 4.50 3mtgA1 PHE 453 HB2 0.02 0.04 0.10 -0.04 3.15 3.28 3mtgA1 PHE 453 HB3 0.10 0.00 0.02 -0.04 3.06 3.14 3mtgA1 PHE 453 HD2 -0.16 -0.02 -0.09 -0.04 7.28 6.97 3mtgA1 PHE 453 HE2 -0.32 0.04 0.00 -0.04 7.38 7.06 3mtgA1 PHE 453 HZ 0.41 0.14 0.02 -0.04 7.32 7.86 3mtgA1 VAL 454 H 0.11 0.16 -0.21 -0.55 8.24 7.74 3mtgA1 VAL 454 HA 0.11 0.09 0.40 -0.75 4.13 3.97 3mtgA1 VAL 454 HB -0.05 0.11 0.06 -0.04 2.12 2.21 3mtgA1 VAL 454 HG13 0.16 -0.01 -0.07 -0.04 0.97 1.01 3mtgA1 VAL 454 HG23 0.07 0.00 0.04 -0.04 0.95 1.02 3mtgA1 LEU 455 H -0.02 0.46 -0.20 -0.55 8.37 8.06 3mtgA1 LEU 455 HA -0.01 -0.03 0.33 -0.75 4.35 3.90 3mtgA1 LEU 455 HB2 -0.03 0.06 0.12 -0.04 1.64 1.75 3mtgA1 LEU 455 HB3 -0.03 -0.02 -0.09 -0.04 1.64 1.45 3mtgA1 LEU 455 HG -0.00 -0.01 -0.07 -0.04 1.64 1.52 3mtgA1 LEU 455 HD13 -0.02 0.01 -0.12 -0.04 0.93 0.76 3mtgA1 LEU 455 HD23 0.02 -0.04 -0.04 -0.04 0.89 0.79 3mtgA1 SER 456 H -0.11 0.62 -0.19 -0.55 8.46 8.23 3mtgA1 SER 456 HA -0.09 -0.04 0.39 -0.75 4.49 4.00 3mtgA1 SER 456 HB2 -0.20 0.13 0.18 -0.04 3.95 4.03 3mtgA1 SER 456 HB3 -0.33 0.17 0.22 -0.04 3.93 3.95 3mtgA1 ILE 457 H -0.31 0.55 -0.13 -0.55 8.25 7.81 3mtgA1 ILE 457 HA -0.58 0.08 0.28 -0.75 4.18 3.20 3mtgA1 ILE 457 HB -0.31 0.08 0.16 -0.04 1.89 1.79 3mtgA1 ILE 457 HG12 -1.01 0.14 0.08 -0.04 1.49 0.67 3mtgA1 ILE 457 HG13 -1.52 -0.05 -0.02 -0.04 1.21 -0.42 3mtgA1 ILE 457 HG23 -0.21 -0.01 -0.24 -0.04 0.93 0.44 3mtgA1 ILE 457 HD13 -0.99 0.01 -0.06 -0.04 0.88 -0.20 3mtgA1 THR 458 H -0.08 0.54 -0.13 -0.55 8.28 8.06 3mtgA1 THR 458 HA -0.01 -0.01 0.33 -0.75 4.39 3.94 3mtgA1 THR 458 HB 0.01 0.07 0.13 -0.04 4.32 4.49 3mtgA1 THR 458 HG23 0.04 -0.03 -0.12 -0.04 1.22 1.07 3mtgA1 ALA 459 H -0.03 0.75 -0.03 -0.55 8.40 8.54 3mtgA1 ALA 459 HA 0.01 -0.06 0.37 -0.75 4.34 3.90 3mtgA1 ALA 459 HB3 -0.03 0.01 0.08 -0.04 1.41 1.42 3mtgA1 THR 460 H -0.03 0.68 -0.19 -0.55 8.28 8.18 3mtgA1 THR 460 HA -0.04 0.01 0.37 -0.75 4.39 3.97 3mtgA1 THR 460 HB 0.00 0.14 0.13 -0.04 4.32 4.56 3mtgA1 THR 460 HG23 -0.08 0.01 -0.06 -0.04 1.22 1.05 3mtgA1 THR 461 H -0.03 0.49 -0.15 -0.55 8.28 8.04 3mtgA1 THR 461 HA 0.01 0.01 0.36 -0.75 4.39 4.01 3mtgA1 THR 461 HB 0.00 0.14 0.16 -0.04 4.32 4.59 3mtgA1 THR 461 HG23 0.02 -0.02 -0.02 -0.04 1.22 1.16 3mtgA1 GLN 462 H 0.01 0.55 -0.12 -0.55 8.47 8.37 3mtgA1 GLN 462 HA 0.03 -0.02 0.39 -0.75 4.36 4.00 3mtgA1 GLN 462 HB2 0.04 0.15 0.16 -0.04 2.15 2.46 3mtgA1 GLN 462 HB3 0.07 -0.02 -0.08 -0.04 2.02 1.94 3mtgA1 GLN 462 HG2 0.05 -0.06 -0.07 -0.04 2.40 2.29 3mtgA1 GLN 462 HG3 0.04 0.09 -0.04 -0.04 2.39 2.43 3mtgA1 GLN 462 HE21 0.10 -0.09 -0.10 -0.04 6.97 6.85 3mtgA1 GLN 462 HE22 0.07 0.01 -0.10 -0.04 7.69 7.64 3mtgA1 ALA 463 H 0.02 0.60 -0.05 -0.55 8.40 8.42 3mtgA1 ALA 463 HA 0.03 0.02 0.37 -0.75 4.34 4.01 3mtgA1 ALA 463 HB3 0.00 0.04 0.06 -0.04 1.41 1.47 3mtgA1 LEU 464 H 0.02 0.49 -0.15 -0.55 8.37 8.19 3mtgA1 LEU 464 HA 0.07 0.08 0.37 -0.75 4.35 4.12 3mtgA1 LEU 464 HB2 0.04 0.07 0.09 -0.04 1.64 1.80 3mtgA1 LEU 464 HB3 0.09 -0.07 0.00 -0.04 1.64 1.62 3mtgA1 LEU 464 HG 0.02 0.06 0.04 -0.04 1.64 1.71 3mtgA1 LEU 464 HD13 0.04 -0.02 -0.05 -0.04 0.93 0.86 3mtgA1 LEU 464 HD23 0.20 0.00 -0.03 -0.04 0.89 1.03 3mtgA1 ALA 465 H 0.03 0.37 -0.31 -0.55 8.40 7.94 3mtgA1 ALA 465 HA 0.01 0.01 0.48 -0.75 4.34 4.08 3mtgA1 ALA 465 HB3 0.01 0.01 0.09 -0.04 1.41 1.47 3mtgA1 LEU 466 H 0.03 0.42 -0.25 -0.55 8.37 8.02 3mtgA1 LEU 466 HA 0.03 0.04 0.41 -0.75 4.35 4.08 3mtgA1 LEU 466 HB2 0.04 0.13 0.11 -0.04 1.64 1.88 3mtgA1 LEU 466 HB3 0.02 -0.00 -0.07 -0.04 1.64 1.55 3mtgA1 LEU 466 HG 0.04 0.03 -0.02 -0.04 1.64 1.65 3mtgA1 LEU 466 HD13 0.09 -0.04 -0.15 -0.04 0.93 0.79 3mtgA1 LEU 466 HD23 0.03 -0.01 -0.14 -0.04 0.89 0.72 3mtgA1 ILE 467 H 0.05 0.50 -0.04 -0.55 8.25 8.21 3mtgA1 ILE 467 HA 0.11 0.10 0.26 -0.75 4.18 3.90 3mtgA1 ILE 467 HB 0.07 -0.03 0.11 -0.04 1.89 1.99 3mtgA1 ILE 467 HG12 0.06 0.01 -0.10 -0.04 1.49 1.42 3mtgA1 ILE 467 HG13 0.05 0.14 0.01 -0.04 1.21 1.37 3mtgA1 ILE 467 HG23 0.08 0.01 -0.11 -0.04 0.93 0.88 3mtgA1 ILE 467 HD13 0.06 -0.03 -0.13 -0.04 0.88 0.74 3mtgA1 GLU 468 H 0.06 0.35 -0.39 -0.55 8.60 8.08 3mtgA1 GLU 468 HA 0.08 0.04 0.35 -0.75 4.29 4.00 3mtgA1 GLU 468 HB2 0.06 0.03 0.13 -0.04 2.09 2.27 3mtgA1 GLU 468 HB3 0.01 0.01 0.17 -0.04 1.99 2.14 3mtgA1 GLU 468 HG2 0.10 -0.10 0.01 -0.04 2.34 2.31 3mtgA1 GLU 468 HG3 0.14 0.07 -0.20 -0.04 2.34 2.31 3mtgA1 LEU 469 H -0.01 0.40 -0.03 -0.55 8.37 8.18 3mtgA1 LEU 469 HA -0.03 -0.00 0.28 -0.75 4.35 3.84 3mtgA1 LEU 469 HB2 -0.02 0.00 0.02 -0.04 1.64 1.60 3mtgA1 LEU 469 HB3 -0.05 0.15 -0.05 -0.04 1.64 1.65 3mtgA1 LEU 469 HG -0.17 0.03 0.03 -0.04 1.64 1.49 3mtgA1 LEU 469 HD13 -0.10 -0.05 -0.23 -0.04 0.93 0.52 3mtgA1 LEU 469 HD23 -0.55 -0.00 -0.10 -0.04 0.89 0.20 3mtgA1 TYR 470 H 0.15 0.45 -0.33 -0.55 8.29 8.01 3mtgA1 TYR 470 HA -0.02 0.03 0.42 -0.75 4.56 4.24 3mtgA1 TYR 470 HB2 -0.01 -0.14 -0.00 -0.04 3.06 2.87 3mtgA1 TYR 470 HB3 0.01 0.09 0.05 -0.04 2.98 3.09 3mtgA1 TYR 470 HD2 -0.01 0.06 -0.03 -0.04 7.15 7.13 3mtgA1 TYR 470 HE2 -0.02 0.07 -0.19 -0.04 6.85 6.66 3mtgA1 ASN 471 H 0.09 0.39 -0.11 -0.55 8.53 8.35 3mtgA1 ASN 471 HA -0.20 0.07 0.56 -0.75 4.76 4.44 3mtgA1 ASN 471 HB2 0.05 0.18 0.19 -0.04 2.88 3.25 3mtgA1 ASN 471 HB3 -0.01 -0.14 0.15 -0.04 2.79 2.76 3mtgA1 ASN 471 HD21 0.23 0.58 0.23 -0.04 7.03 8.02 3mtgA1 ASN 471 HD22 0.16 0.30 0.21 -0.04 7.74 8.37 3mtgA1 ALA 472 H 0.02 0.18 -0.44 -0.55 8.40 7.61 3mtgA1 ALA 472 HA 0.02 -0.06 0.40 -0.75 4.34 3.95 3mtgA1 ALA 472 HB3 0.19 0.02 -0.03 -0.04 1.41 1.55 3mtgA1 PRO 473 HA -0.05 0.14 0.62 -0.51 4.44 4.63 3mtgA1 PRO 473 HB2 -0.06 0.06 0.05 -0.04 2.28 2.29 3mtgA1 PRO 473 HB3 -0.05 0.02 0.14 -0.04 2.02 2.09 3mtgA1 PRO 473 HG2 -0.08 -0.04 0.07 -0.04 2.03 1.94 3mtgA1 PRO 473 HG3 -0.05 0.06 0.11 -0.04 2.03 2.10 3mtgA1 PRO 473 HD2 -0.11 -0.03 0.19 -0.04 3.68 3.68 3mtgA1 PRO 473 HD3 -0.04 0.16 0.25 -0.04 3.65 3.97 3mtgA1 GLU 474 H -0.04 0.10 0.20 -0.55 8.60 8.31 3mtgA1 GLU 474 HA -0.03 0.17 0.65 -0.75 4.29 4.33 3mtgA1 GLU 474 HB2 -0.02 -0.03 0.13 -0.04 2.09 2.14 3mtgA1 GLU 474 HB3 -0.02 0.11 0.16 -0.04 1.99 2.19 3mtgA1 GLU 474 HG2 -0.03 -0.02 0.16 -0.04 2.34 2.41 3mtgA1 GLU 474 HG3 -0.03 -0.03 -0.00 -0.04 2.34 2.23 3mtgA1 GLY 475 H -0.03 0.28 0.13 -0.55 8.43 8.26 3mtgA1 GLY 475 HA2 -0.03 -0.02 0.27 -0.51 4.01 3.71 3mtgA1 GLY 475 HA3 -0.05 0.15 0.59 -0.51 4.01 4.19 3mtgA1 ARG 476 H -0.15 0.38 -0.49 -0.55 8.46 7.65 3mtgA1 ARG 476 HA -0.29 0.04 0.58 -0.75 4.34 3.92 3mtgA1 ARG 476 HB2 -0.23 0.02 0.00 -0.04 1.90 1.65 3mtgA1 ARG 476 HB3 -0.43 0.15 0.02 -0.04 1.80 1.50 3mtgA1 ARG 476 HG2 -0.78 -0.06 0.04 -0.04 1.67 0.83 3mtgA1 ARG 476 HG3 -0.30 -0.05 0.05 -0.04 1.67 1.33 3mtgA1 ARG 476 HD2 -0.22 0.11 0.02 -0.04 3.22 3.09 3mtgA1 ARG 476 HD3 -0.44 -0.07 -0.03 -0.04 3.22 2.64 3mtgA1 TYR 477 H -0.16 0.24 0.04 -0.55 8.29 7.86 3mtgA1 TYR 477 HA -0.61 0.05 0.60 -0.75 4.56 3.84 3mtgA1 TYR 477 HB2 -0.20 0.10 0.06 -0.04 3.06 2.99 3mtgA1 TYR 477 HB3 -0.52 0.00 0.05 -0.04 2.98 2.47 3mtgA1 TYR 477 HD2 -0.94 0.04 -0.02 -0.04 7.15 6.19 3mtgA1 TYR 477 HE2 -0.13 -0.01 -0.08 -0.04 6.85 6.59 3mtgA1 LYS 478 H 0.34 0.07 -0.02 -0.55 8.42 8.26 3mtgA1 LYS 478 HA 0.09 0.22 0.72 -0.75 4.32 4.60 3mtgA1 GLN 479 H 0.09 0.14 -0.00 -0.55 8.47 8.14 3mtgA1 GLN 479 HA 0.07 0.14 0.16 -0.75 4.36 3.97 3mtgA1 GLN 479 HB2 0.05 -0.11 0.20 -0.04 2.15 2.24 3mtgA1 GLN 479 HB3 0.04 0.46 0.12 -0.04 2.02 2.61 3mtgA1 GLN 479 HG2 0.04 0.24 -0.21 -0.04 2.40 2.42 3mtgA1 GLN 479 HG3 0.05 -0.12 0.01 -0.04 2.39 2.28 3mtgA1 GLN 479 HE21 0.03 -0.05 0.04 -0.04 6.97 6.96 3mtgA1 GLN 479 HE22 0.03 0.22 0.10 -0.04 7.69 7.99 3mtgA1 ASP 480 H 0.16 0.61 -0.01 -0.55 8.40 8.62 3mtgA1 ASP 480 HA -0.07 0.06 0.51 -0.75 4.63 4.37 3mtgA1 ASP 480 HB2 -0.03 -0.03 -0.38 -0.04 2.71 2.22 3mtgA1 ASP 480 HB3 -0.65 0.03 -0.17 -0.04 2.70 1.87 3mtgA1 VAL 481 H -0.25 0.15 0.15 -0.55 8.24 7.74 3mtgA1 VAL 481 HA -0.18 0.15 0.86 -0.75 4.13 4.20 3mtgA1 VAL 481 HB -0.70 -0.01 0.07 -0.04 2.12 1.44 3mtgA1 VAL 481 HG13 -0.50 -0.02 -0.15 -0.04 0.97 0.26 3mtgA1 VAL 481 HG23 -0.41 -0.01 -0.21 -0.04 0.95 0.28 3mtgA1 TYR 482 H 0.04 0.92 0.44 -0.55 8.29 9.13 3mtgA1 TYR 482 HA 0.08 0.13 0.90 -0.75 4.56 4.91 3mtgA1 TYR 482 HB2 -0.13 0.06 0.06 -0.04 3.06 3.01 3mtgA1 TYR 482 HB3 0.12 0.06 0.10 -0.04 2.98 3.22 3mtgA1 TYR 482 HD2 0.07 0.04 0.00 -0.04 7.15 7.22 3mtgA1 TYR 482 HE2 0.10 0.13 -0.03 -0.04 6.85 7.01 3mtgA1 LEU 483 H 0.21 0.17 0.17 -0.55 8.37 8.38 3mtgA1 LEU 483 HA 0.09 0.14 0.86 -0.75 4.35 4.69 3mtgA1 LEU 483 HB2 0.13 0.03 0.08 -0.04 1.64 1.84 3mtgA1 LEU 483 HB3 0.10 -0.04 0.10 -0.04 1.64 1.76 3mtgA1 LEU 483 HG 0.14 -0.03 -0.09 -0.04 1.64 1.62 3mtgA1 LEU 483 HD13 0.11 0.02 0.00 -0.04 0.93 1.01 3mtgA1 LEU 483 HD23 0.11 -0.01 -0.20 -0.04 0.89 0.75 3mtgA1 LEU 484 H 0.07 0.05 0.11 -0.55 8.37 8.06 3mtgA1 LEU 484 HA 0.05 0.16 0.40 -0.75 4.35 4.21 3mtgA1 LEU 484 HB2 0.04 -0.01 0.09 -0.04 1.64 1.73 3mtgA1 LEU 484 HB3 0.06 -0.14 0.11 -0.04 1.64 1.62 3mtgA1 LEU 484 HG 0.06 0.10 -0.15 -0.04 1.64 1.61 3mtgA1 LEU 484 HD13 0.04 0.04 -0.10 -0.04 0.93 0.86 3mtgA1 LEU 484 HD23 0.04 -0.03 -0.16 -0.04 0.89 0.71 3mtgA1 PRO 485 HA 0.09 0.11 0.44 -0.51 4.44 4.57 3mtgA1 PRO 485 HB2 0.07 -0.15 0.04 -0.04 2.28 2.19 3mtgA1 PRO 485 HB3 0.06 0.08 0.14 -0.04 2.02 2.25 3mtgA1 PRO 485 HG2 0.12 0.11 0.08 -0.04 2.03 2.29 3mtgA1 PRO 485 HG3 0.19 0.15 0.11 -0.04 2.03 2.43 3mtgA1 PRO 485 HD2 0.08 0.06 0.16 -0.04 3.68 3.94 3mtgA1 PRO 485 HD3 0.10 0.22 0.21 -0.04 3.65 4.14 3mtgA1 LYS 486 H 0.06 0.22 0.21 -0.55 8.42 8.35 3mtgA1 LYS 486 HA 0.08 0.07 0.40 -0.75 4.32 4.12 3mtgA1 LYS 486 HB2 0.05 0.08 0.19 -0.04 1.87 2.15 3mtgA1 LYS 486 HB3 0.01 0.01 0.12 -0.04 1.79 1.89 3mtgA1 LYS 486 HG2 0.10 -0.08 0.03 -0.04 1.46 1.47 3mtgA1 LYS 486 HG3 0.14 -0.04 0.11 -0.04 1.46 1.63 3mtgA1 LYS 486 HD2 0.03 0.18 0.02 -0.04 1.69 1.88 3mtgA1 LYS 486 HD3 0.14 -0.10 0.01 -0.04 1.68 1.70 3mtgA1 LYS 486 HE2 0.12 -0.08 0.04 -0.04 2.99 3.02 3mtgA1 LYS 486 HE3 0.06 0.14 -0.18 -0.04 2.99 2.97 3mtgA1 LYS 487 H 0.01 0.15 -0.07 -0.55 8.42 7.95 3mtgA1 LYS 487 HA -0.01 0.12 0.35 -0.75 4.32 4.03 3mtgA1 LYS 487 HB2 -0.02 -0.03 0.09 -0.04 1.87 1.86 3mtgA1 LYS 487 HB3 -0.03 0.09 -0.06 -0.04 1.79 1.76 3mtgA1 LYS 487 HG2 -0.11 0.17 -0.01 -0.04 1.46 1.47 3mtgA1 LYS 487 HG3 -0.12 -0.06 -0.03 -0.04 1.46 1.21 3mtgA1 LYS 487 HD2 -0.11 -0.06 0.04 -0.04 1.69 1.52 3mtgA1 LYS 487 HD3 -0.06 0.02 0.00 -0.04 1.68 1.59 3mtgA1 LYS 487 HE2 -0.09 -0.01 -0.05 -0.04 2.99 2.81 3mtgA1 LYS 487 HE3 -0.10 0.17 -0.12 -0.04 2.99 2.90 3mtgA1 MET 488 H 0.06 0.16 -0.45 -0.55 8.47 7.70 3mtgA1 MET 488 HA 0.16 0.13 0.49 -0.75 4.52 4.54 3mtgA1 MET 488 HB2 0.08 0.14 0.01 -0.04 2.15 2.33 3mtgA1 MET 488 HB3 0.09 -0.02 -0.04 -0.04 2.03 2.02 3mtgA1 MET 488 HG2 0.06 -0.10 -0.03 -0.04 2.63 2.52 3mtgA1 MET 488 HG3 0.08 0.07 -0.01 -0.04 2.56 2.66 3mtgA1 MET 488 HE3 0.08 0.05 -0.01 -0.04 2.10 2.18 3mtgA1 ASP 489 H 0.07 0.52 -0.07 -0.55 8.40 8.38 3mtgA1 ASP 489 HA 0.04 -0.06 0.40 -0.75 4.63 4.26 3mtgA1 ASP 489 HB2 0.06 0.16 0.19 -0.04 2.71 3.08 3mtgA1 ASP 489 HB3 0.02 0.00 -0.00 -0.04 2.70 2.68 3mtgA1 GLU 490 H 0.09 0.61 -0.11 -0.55 8.60 8.64 3mtgA1 GLU 490 HA 0.12 -0.00 0.43 -0.75 4.29 4.08 3mtgA1 GLU 490 HB2 0.11 0.09 0.14 -0.04 2.09 2.38 3mtgA1 GLU 490 HB3 0.19 0.06 -0.01 -0.04 1.99 2.20 3mtgA1 GLU 490 HG2 0.28 -0.00 0.03 -0.04 2.34 2.61 3mtgA1 GLU 490 HG3 0.15 -0.06 0.04 -0.04 2.34 2.43 3mtgA1 TYR 491 H 0.21 0.35 -0.33 -0.55 8.29 7.97 3mtgA1 TYR 491 HA 0.06 0.03 0.39 -0.75 4.56 4.29 3mtgA1 TYR 491 HB2 0.04 0.17 0.17 -0.04 3.06 3.39 3mtgA1 TYR 491 HB3 0.03 0.09 0.16 -0.04 2.98 3.22 3mtgA1 TYR 491 HD2 0.03 -0.03 0.02 -0.04 7.15 7.14 3mtgA1 TYR 491 HE2 0.02 0.02 -0.04 -0.04 6.85 6.81 3mtgA1 VAL 492 H 0.09 0.47 -0.18 -0.55 8.24 8.06 3mtgA1 VAL 492 HA -0.06 0.03 0.31 -0.75 4.13 3.65 3mtgA1 VAL 492 HB -0.00 0.08 0.16 -0.04 2.12 2.31 3mtgA1 VAL 492 HG13 -0.11 -0.03 -0.10 -0.04 0.97 0.69 3mtgA1 VAL 492 HG23 -0.00 0.06 -0.11 -0.04 0.95 0.86 3mtgA1 ALA 493 H 0.06 0.43 -0.21 -0.55 8.40 8.13 3mtgA1 ALA 493 HA 0.05 -0.02 0.37 -0.75 4.34 3.98 3mtgA1 ALA 493 HB3 0.07 0.03 0.10 -0.04 1.41 1.58 3mtgA1 SER 494 H 0.13 0.66 -0.03 -0.55 8.46 8.69 3mtgA1 SER 494 HA 0.13 -0.02 0.39 -0.75 4.49 4.23 3mtgA1 SER 494 HB2 0.19 0.08 0.10 -0.04 3.95 4.27 3mtgA1 SER 494 HB3 0.25 0.07 0.12 -0.04 3.93 4.33 3mtgA1 LEU 495 H 0.01 0.61 -0.19 -0.55 8.37 8.26 3mtgA1 LEU 495 HA -0.05 0.04 0.39 -0.75 4.35 3.97 3mtgA1 LEU 495 HB2 -0.13 0.13 0.11 -0.04 1.64 1.71 3mtgA1 LEU 495 HB3 -0.28 -0.10 0.10 -0.04 1.64 1.32 3mtgA1 LEU 495 HG -0.49 0.05 0.04 -0.04 1.64 1.20 3mtgA1 LEU 495 HD13 -0.70 -0.01 -0.07 -0.04 0.93 0.11 3mtgA1 LEU 495 HD23 -0.18 0.02 0.01 -0.04 0.89 0.70 3mtgA1 HIS 496 H 0.21 0.38 -0.45 -0.55 8.41 8.00 3mtgA1 HIS 496 HA -0.03 0.03 0.67 -0.75 4.63 4.55 3mtgA1 HIS 496 HB2 0.11 0.16 0.10 -0.04 3.26 3.59 3mtgA1 HIS 496 HB3 0.39 -0.09 0.09 -0.04 3.20 3.55 3mtgA1 HIS 496 HD2 -1.54 -0.03 0.02 -0.04 6.97 5.36 3mtgA1 HIS 496 HE1 -0.23 0.00 -0.16 -0.04 7.75 7.31 3mtgA1 LEU 497 H 0.18 0.37 -0.13 -0.55 8.37 8.24 3mtgA1 LEU 497 HA 0.40 -0.01 0.39 -0.75 4.35 4.38 3mtgA1 LEU 497 HB2 0.13 0.26 0.19 -0.04 1.64 2.17 3mtgA1 LEU 497 HB3 0.13 -0.06 -0.00 -0.04 1.64 1.66 3mtgA1 LEU 497 HG 0.14 0.15 -0.02 -0.04 1.64 1.87 3mtgA1 LEU 497 HD13 0.08 -0.01 -0.05 -0.04 0.93 0.90 3mtgA1 LEU 497 HD23 0.10 -0.03 -0.05 -0.04 0.89 0.86 3mtgA1 PRO 498 HA 0.05 0.04 0.42 -0.51 4.44 4.44 3mtgA1 PRO 498 HB2 -0.01 0.03 -0.06 -0.04 2.28 2.20 3mtgA1 PRO 498 HB3 0.02 0.03 0.08 -0.04 2.02 2.11 3mtgA1 PRO 498 HG2 0.01 0.07 0.03 -0.04 2.03 2.09 3mtgA1 PRO 498 HG3 0.05 0.04 0.05 -0.04 2.03 2.13 3mtgA1 PRO 498 HD2 0.02 0.21 -0.27 -0.04 3.68 3.60 3mtgA1 PRO 498 HD3 0.08 0.30 0.11 -0.04 3.65 4.10 3mtgA1 SER 499 H -0.00 0.31 -0.44 -0.55 8.46 7.77 3mtgA1 SER 499 HA -0.11 0.08 0.45 -0.75 4.49 4.15 3mtgA1 SER 499 HB2 -0.18 -0.04 0.12 -0.04 3.95 3.81 3mtgA1 SER 499 HB3 -0.09 -0.05 0.08 -0.04 3.93 3.84 3mtgA1 PHE 500 H 0.06 0.41 -0.21 -0.55 8.34 8.06 3mtgA1 PHE 500 HA -0.00 0.12 0.72 -0.75 4.62 4.70 3mtgA1 PHE 500 HB2 0.00 0.03 0.03 -0.04 3.15 3.18 3mtgA1 PHE 500 HB3 -0.02 -0.02 0.08 -0.04 3.06 3.06 3mtgA1 PHE 500 HD2 0.03 0.07 0.06 -0.04 7.28 7.40 3mtgA1 PHE 500 HE2 0.09 -0.01 -0.05 -0.04 7.38 7.36 3mtgA1 PHE 500 HZ -0.51 -0.08 -0.03 -0.04 7.32 6.65 3mtgA1 ASP 501 H 0.04 0.26 -0.34 -0.55 8.40 7.81 3mtgA1 ASP 501 HA -0.01 0.05 0.29 -0.75 4.63 4.21 3mtgA1 ASP 501 HB2 0.00 0.01 -0.04 -0.04 2.71 2.64 3mtgA1 ASP 501 HB3 -0.03 0.11 0.12 -0.04 2.70 2.86 3mtgA1 ALA 502 H 0.06 0.26 -0.15 -0.55 8.40 8.02 3mtgA1 ALA 502 HA -0.13 0.07 0.40 -0.75 4.34 3.93 3mtgA1 ALA 502 HB3 0.06 -0.02 -0.03 -0.04 1.41 1.37 3mtgA1 HIS 503 H -0.09 0.18 0.06 -0.55 8.41 8.01 3mtgA1 HIS 503 HA 0.03 0.14 0.82 -0.75 4.63 4.87 3mtgA1 HIS 503 HB2 0.02 -0.04 0.15 -0.04 3.26 3.34 3mtgA1 HIS 503 HB3 0.02 0.02 0.02 -0.04 3.20 3.21 3mtgA1 HIS 503 HD2 0.02 -0.05 0.01 -0.04 6.97 6.91 3mtgA1 HIS 503 HE1 0.03 -0.05 -0.09 -0.04 7.75 7.59 3mtgA1 LEU 504 H 0.10 0.19 -0.02 -0.55 8.37 8.09 3mtgA1 LEU 504 HA 0.03 0.03 0.57 -0.75 4.35 4.22 3mtgA1 LEU 504 HB2 0.06 -0.01 0.02 -0.04 1.64 1.67 3mtgA1 LEU 504 HB3 0.05 0.01 -0.03 -0.04 1.64 1.63 3mtgA1 LEU 504 HG -0.03 0.19 -0.02 -0.04 1.64 1.74 3mtgA1 LEU 504 HD13 -0.01 -0.02 0.01 -0.04 0.93 0.87 3mtgA1 LEU 504 HD23 0.04 -0.01 -0.02 -0.04 0.89 0.86 3mtgA1 THR 505 H -0.01 0.10 0.14 -0.55 8.28 7.97 3mtgA1 THR 505 HA 0.01 0.08 0.60 -0.75 4.39 4.32 3mtgA1 THR 505 HB -0.03 -0.03 0.11 -0.04 4.32 4.33 3mtgA1 THR 505 HG23 -0.02 -0.01 -0.13 -0.04 1.22 1.03 3mtgA1 GLU 506 H 0.00 0.16 0.12 -0.55 8.60 8.33 3mtgA1 GLU 506 HA -0.01 0.21 0.93 -0.75 4.29 4.68 3mtgA1 GLU 506 HB2 0.02 0.02 -0.01 -0.04 2.09 2.08 3mtgA1 GLU 506 HB3 0.02 -0.04 0.01 -0.04 1.99 1.94 3mtgA1 GLU 506 HG2 0.04 0.07 0.02 -0.04 2.34 2.42 3mtgA1 GLU 506 HG3 0.05 0.05 0.02 -0.04 2.34 2.42 3mtgA1 LEU 507 H 0.02 0.25 0.12 -0.55 8.37 8.21 3mtgA1 LEU 507 HA 0.01 -0.02 0.38 -0.75 4.35 3.96 3mtgA1 LEU 507 HB2 0.08 -0.02 0.05 -0.04 1.64 1.72 3mtgA1 LEU 507 HB3 0.05 -0.04 -0.03 -0.04 1.64 1.58 3mtgA1 LEU 507 HG -0.02 -0.03 -0.04 -0.04 1.64 1.51 3mtgA1 LEU 507 HD13 0.08 0.01 0.02 -0.04 0.93 1.00 3mtgA1 LEU 507 HD23 0.08 0.00 -0.18 -0.04 0.89 0.75 3mtgA1 ALA 508 H 0.02 0.05 0.21 -0.55 8.40 8.13 3mtgA1 ALA 508 HA 0.02 0.20 0.62 -0.75 4.34 4.42 3mtgA1 ALA 508 HB3 0.01 -0.00 0.15 -0.04 1.41 1.53 3mtgA1 ASP 509 H 0.02 0.20 0.16 -0.55 8.40 8.23 3mtgA1 ASP 509 HA 0.03 0.14 0.40 -0.75 4.63 4.44 3mtgA1 ASP 509 HB2 0.02 -0.04 0.17 -0.04 2.71 2.81 3mtgA1 ASP 509 HB3 0.02 0.07 0.05 -0.04 2.70 2.80 3mtgA1 ASP 510 H 0.02 0.06 -0.10 -0.55 8.40 7.83 3mtgA1 ASP 510 HA 0.04 0.13 0.34 -0.75 4.63 4.39 3mtgA1 ASP 510 HB2 0.01 0.01 0.09 -0.04 2.71 2.77 3mtgA1 ASP 510 HB3 0.00 -0.04 0.03 -0.04 2.70 2.65 3mtgA1 GLN 511 H 0.03 -0.01 -0.30 -0.55 8.47 7.64 3mtgA1 GLN 511 HA 0.05 0.09 0.47 -0.75 4.36 4.21 3mtgA1 GLN 511 HB2 0.03 -0.10 0.21 -0.04 2.15 2.24 3mtgA1 GLN 511 HB3 0.04 0.08 -0.01 -0.04 2.02 2.09 3mtgA1 GLN 511 HG2 -0.02 0.07 0.03 -0.04 2.40 2.45 3mtgA1 GLN 511 HG3 -0.01 -0.06 0.04 -0.04 2.39 2.32 3mtgA1 GLN 511 HE21 -0.01 0.04 -0.01 -0.04 6.97 6.95 3mtgA1 GLN 511 HE22 -0.02 0.02 -0.00 -0.04 7.69 7.65 3mtgA1 ALA 512 H 0.06 0.64 -0.04 -0.55 8.40 8.50 3mtgA1 ALA 512 HA 0.08 0.02 0.37 -0.75 4.34 4.06 3mtgA1 ALA 512 HB3 0.06 0.03 -0.00 -0.04 1.41 1.46 3mtgA1 LYS 513 H 0.07 0.14 -0.47 -0.55 8.42 7.60 3mtgA1 LYS 513 HA 0.04 0.07 0.58 -0.75 4.32 4.25 3mtgA1 TYR 514 H 0.18 0.24 -0.12 -0.55 8.29 8.03 3mtgA1 TYR 514 HA 0.01 -0.03 0.40 -0.75 4.56 4.18 3mtgA1 TYR 514 HB2 0.01 0.04 0.19 -0.04 3.06 3.26 3mtgA1 TYR 514 HB3 0.01 0.10 0.18 -0.04 2.98 3.23 3mtgA1 TYR 514 HD2 0.01 0.01 -0.03 -0.04 7.15 7.10 3mtgA1 TYR 514 HE2 0.01 -0.03 -0.01 -0.04 6.85 6.78 3mtgA1 LEU 515 H 0.12 0.32 -0.12 -0.55 8.37 8.15 3mtgA1 LEU 515 HA -0.06 0.04 0.63 -0.75 4.35 4.20 3mtgA1 LEU 515 HB2 0.07 0.03 -0.07 -0.04 1.64 1.63 3mtgA1 LEU 515 HB3 0.03 -0.02 -0.01 -0.04 1.64 1.60 3mtgA1 LEU 515 HG 0.17 0.02 0.01 -0.04 1.64 1.80 3mtgA1 LEU 515 HD13 0.08 -0.01 -0.07 -0.04 0.93 0.89 3mtgA1 LEU 515 HD23 0.09 -0.01 -0.05 -0.04 0.89 0.88 3mtgA1 GLY 516 H -0.03 0.08 -0.00 -0.55 8.43 7.93 3mtgA1 GLY 516 HA2 -0.01 0.19 0.59 -0.51 4.01 4.27 3mtgA1 GLY 516 HA3 -0.02 -0.07 0.37 -0.51 4.01 3.79 3mtgA1 LEU 517 H 0.02 0.88 -0.00 -0.55 8.37 8.72 3mtgA1 LEU 517 HA -0.02 0.08 0.69 -0.75 4.35 4.34 3mtgA1 LEU 517 HB2 0.10 -0.03 -0.18 -0.04 1.64 1.49 3mtgA1 LEU 517 HB3 0.06 0.10 -0.07 -0.04 1.64 1.68 3mtgA1 LEU 517 HG 0.03 -0.19 -0.62 -0.04 1.64 0.82 3mtgA1 LEU 517 HD13 0.15 -0.01 -0.06 -0.04 0.93 0.96 3mtgA1 LEU 517 HD23 -0.01 0.09 -0.07 -0.04 0.89 0.86 3mtgA1 ASN 518 H -0.07 0.15 0.08 -0.55 8.53 8.15 3mtgA1 ASN 518 HA 0.00 0.13 0.59 -0.75 4.76 4.73 3mtgA1 ASN 518 HB2 -0.12 -0.05 0.16 -0.04 2.88 2.82 3mtgA1 ASN 518 HB3 -0.05 -0.10 0.05 -0.04 2.79 2.66 3mtgA1 ASN 518 HD21 -0.05 0.05 -0.00 -0.04 7.03 6.99 3mtgA1 ASN 518 HD22 -0.07 0.01 0.06 -0.04 7.74 7.70 3mtgA1 LYS 519 H 0.04 0.17 0.13 -0.55 8.42 8.21 3mtgA1 LYS 519 HA 0.16 0.06 0.27 -0.75 4.32 4.05 3mtgA1 ASN 520 H 0.03 -0.12 -0.32 -0.55 8.53 7.58 3mtgA1 ASN 520 HA 0.33 0.20 0.77 -0.75 4.76 5.31 3mtgA1 ASN 520 HB2 0.02 0.02 0.03 -0.04 2.88 2.91 3mtgA1 ASN 520 HB3 0.08 0.03 -0.05 -0.04 2.79 2.81 3mtgA1 ASN 520 HD21 0.00 0.01 -0.05 -0.04 7.03 6.95 3mtgA1 ASN 520 HD22 0.02 0.04 -0.08 -0.04 7.74 7.69 3mtgA1 GLY 521 H -0.16 -0.13 -0.28 -0.55 8.43 7.31 3mtgA1 GLY 521 HA2 -0.21 0.06 0.36 -0.51 4.01 3.71 3mtgA1 GLY 521 HA3 -0.22 -0.03 0.33 -0.51 4.01 3.59 3mtgA1 PRO 522 HA -0.27 -0.03 0.42 -0.51 4.44 4.05 3mtgA1 PRO 522 HB2 -0.09 0.14 0.03 -0.04 2.28 2.32 3mtgA1 PRO 522 HB3 -0.08 -0.13 0.12 -0.04 2.02 1.89 3mtgA1 PRO 522 HG2 -0.11 0.09 0.12 -0.04 2.03 2.09 3mtgA1 PRO 522 HG3 -0.08 0.02 0.11 -0.04 2.03 2.04 3mtgA1 PRO 522 HD2 -0.15 0.07 0.22 -0.04 3.68 3.78 3mtgA1 PRO 522 HD3 -0.13 0.08 0.19 -0.04 3.65 3.75 3mtgA1 PHE 523 H -0.07 0.02 0.17 -0.55 8.34 7.91 3mtgA1 PHE 523 HA -0.04 0.22 0.73 -0.75 4.62 4.79 3mtgA1 PHE 523 HB2 -0.01 -0.08 0.06 -0.04 3.15 3.08 3mtgA1 PHE 523 HB3 -0.04 -0.02 0.03 -0.04 3.06 2.99 3mtgA1 PHE 523 HD2 0.01 -0.09 -0.06 -0.04 7.28 7.11 3mtgA1 PHE 523 HE2 0.02 -0.01 -0.13 -0.04 7.38 7.22 3mtgA1 PHE 523 HZ 0.02 0.05 -0.02 -0.04 7.32 7.33 3mtgA1 LYS 524 H -0.00 0.00 0.06 -0.55 8.42 7.93 3mtgA1 LYS 524 HA -0.24 0.24 0.90 -0.75 4.32 4.46 3mtgA1 LYS 524 HB2 -0.08 -0.04 0.03 -0.04 1.87 1.73 3mtgA1 LYS 524 HB3 -0.56 0.04 0.04 -0.04 1.79 1.26 3mtgA1 LYS 524 HG2 -0.14 -0.09 -0.24 -0.04 1.46 0.95 3mtgA1 LYS 524 HG3 -0.64 -0.02 -0.07 -0.04 1.46 0.69 3mtgA1 LYS 524 HD2 -2.17 -0.07 -0.04 -0.04 1.69 -0.63 3mtgA1 LYS 524 HD3 -0.91 0.07 0.03 -0.04 1.68 0.83 3mtgA1 LYS 524 HE2 -0.29 0.01 -0.04 -0.04 2.99 2.63 3mtgA1 LYS 524 HE3 -0.15 0.09 -0.25 -0.04 2.99 2.63 3mtgA1 PRO 525 HA -0.15 0.15 0.49 -0.51 4.44 4.42 3mtgA1 PRO 525 HB2 -0.98 -0.10 0.08 -0.04 2.28 1.23 3mtgA1 PRO 525 HB3 -0.23 0.11 0.11 -0.04 2.02 1.97 3mtgA1 PRO 525 HG2 -0.64 -0.07 -0.04 -0.04 2.03 1.24 3mtgA1 PRO 525 HG3 -0.23 0.10 0.04 -0.04 2.03 1.90 3mtgA1 PRO 525 HD2 -0.31 0.04 0.19 -0.04 3.68 3.56 3mtgA1 PRO 525 HD3 -0.18 0.23 0.16 -0.04 3.65 3.82 3mtgA1 ASN 526 H -0.13 0.15 0.17 -0.55 8.53 8.17 3mtgA1 ASN 526 HA 0.01 0.11 0.45 -0.75 4.76 4.58 3mtgA1 ASN 526 HB2 0.03 0.03 0.16 -0.04 2.88 3.06 3mtgA1 ASN 526 HB3 0.07 -0.02 0.13 -0.04 2.79 2.93 3mtgA1 ASN 526 HD21 0.10 0.01 -0.03 -0.04 7.03 7.07 3mtgA1 ASN 526 HD22 0.11 -0.01 -0.03 -0.04 7.74 7.77 3mtgA1 TYR 527 H -0.32 0.05 -0.10 -0.55 8.29 7.37 3mtgA1 TYR 527 HA 0.06 0.14 0.38 -0.75 4.56 4.38 3mtgA1 TYR 527 HB2 0.02 0.01 0.10 -0.04 3.06 3.16 3mtgA1 TYR 527 HB3 0.04 0.01 0.06 -0.04 2.98 3.05 3mtgA1 TYR 527 HD2 0.03 -0.01 -0.12 -0.04 7.15 7.01 3mtgA1 TYR 527 HE2 0.05 0.02 -0.02 -0.04 6.85 6.86 3mtgA1 TYR 528 H -0.10 0.29 -0.76 -0.55 8.29 7.17 3mtgA1 TYR 528 HA -0.10 -0.04 0.41 -0.75 4.56 4.07 3mtgA1 TYR 528 HB2 -0.32 0.06 0.03 -0.04 3.06 2.79 3mtgA1 TYR 528 HB3 -0.40 0.05 0.03 -0.04 2.98 2.62 3mtgA1 TYR 528 HD2 -1.27 0.03 -0.08 -0.04 7.15 5.78 3mtgA1 TYR 528 HE2 -0.25 0.04 -0.02 -0.04 6.85 6.58 3mtgA1 ARG 529 H -0.38 0.10 0.21 -0.55 8.46 7.83 3mtgA1 ARG 529 HA 0.07 0.16 0.54 -0.75 4.34 4.35 3mtgA1 ARG 529 HB2 -0.15 -0.04 0.08 -0.04 1.90 1.76 3mtgA1 ARG 529 HB3 -0.03 -0.01 0.04 -0.04 1.80 1.76 3mtgA1 ARG 529 HG2 0.02 -0.04 0.02 -0.04 1.67 1.63 3mtgA1 ARG 529 HG3 0.02 0.20 -0.03 -0.04 1.67 1.82 3mtgA1 ARG 529 HD2 -0.04 -0.02 0.04 -0.04 3.22 3.15 3mtgA1 ARG 529 HD3 -0.01 -0.04 0.01 -0.04 3.22 3.14 3mtgA1 TYR 530 H -0.93 0.03 -0.15 -0.55 8.29 6.70 3mtgA1 TYR 530 HA -0.01 0.05 0.10 -0.75 4.56 3.95 3mtgA1 TYR 530 HB2 0.05 0.21 -0.02 -0.04 3.06 3.26 3mtgA1 TYR 530 HB3 0.10 0.00 0.01 -0.04 2.98 3.05 3mtgA1 TYR 530 HD2 0.19 0.06 -0.27 -0.04 7.15 7.09 3mtgA1 TYR 530 HE2 0.14 0.06 -0.06 -0.04 6.85 6.94