============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 3 0.840 62.719 32.512 -0.463 -99.200 -91.000 HIS 6 0.900 62.158 43.076 3.710 -99.200 -91.000 TYR 21 0.840 41.470 24.106 5.456 -99.200 -91.000 TYR 34 0.840 23.023 46.049 16.760 -99.200 -91.000 TYR 36 0.840 22.552 42.148 21.169 -99.200 -91.000 PHE 40 1.000 27.077 37.600 14.708 -99.200 -91.000 TYR 44 0.840 27.583 33.212 18.871 -99.200 -91.000 HIS 65 0.900 32.853 35.185 21.095 -99.200 -91.000 TYR 94 0.840 50.627 24.939 25.674 -99.200 -91.000 PHE 98 1.000 44.222 23.011 33.761 -99.200 -91.000 TYR 100 0.840 53.503 26.115 37.320 -99.200 -91.000 TRP 101 1.040 46.161 29.419 34.469 -99.200 -91.000 TRP6 101 1.020 46.269 28.862 32.171 -99.200 -91.000 TYR 105 0.840 41.228 29.903 39.689 -99.200 -91.000 HIS 108 0.900 42.978 20.708 49.407 -99.200 -91.000 TYR 116 0.840 58.088 18.625 30.192 -99.200 -91.000 HIS 132 0.900 47.177 10.486 47.053 -99.200 -91.000 HIS 142 0.900 44.062 13.705 22.090 -99.200 -91.000 HIS 143 0.900 49.986 17.691 19.206 -99.200 -91.000 HIS 163 0.900 39.501 5.556 40.914 -99.200 -91.000 TYR 166 0.840 32.851 17.194 38.378 -99.200 -91.000 PHE 175 1.000 36.941 18.729 17.261 -99.200 -91.000 HIS 181 0.900 34.800 12.940 17.800 -99.200 -91.000 TYR 190 0.840 37.555 17.579 23.458 -99.200 -91.000 TRP 214 1.040 26.671 23.506 30.905 -99.200 -91.000 TRP6 214 1.020 27.323 25.789 30.873 -99.200 -91.000 TRP 234 1.040 30.210 34.325 27.145 -99.200 -91.000 TRP6 234 1.020 29.777 35.241 25.016 -99.200 -91.000 TRP 238 1.040 22.513 27.841 23.289 -99.200 -91.000 TRP6 238 1.020 20.476 27.359 22.169 -99.200 -91.000 PHE 244 1.000 25.715 37.300 20.621 -99.200 -91.000 PHE 246 1.000 33.076 39.026 26.077 -99.200 -91.000 TYR 263 0.840 36.237 18.234 11.265 -99.200 -91.000 TRP 272 1.040 39.439 13.122 12.314 -99.200 -91.000 TRP6 272 1.020 37.766 11.601 13.014 -99.200 -91.000 HIS 275 0.900 44.797 17.140 9.973 -99.200 -91.000 TRP 294 1.040 60.826 15.683 22.142 -99.200 -91.000 TRP6 294 1.020 62.926 16.476 22.928 -99.200 -91.000 TYR 327 0.840 66.726 25.199 1.593 -99.200 -91.000 PHE 331 1.000 60.742 23.294 8.750 -99.200 -91.000 HIS 347 0.900 53.339 17.085 9.757 -99.200 -91.000 TYR 356 0.840 51.614 22.173 1.677 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2z9xA1 MET 2 HA -0.09 -0.10 0.20 -0.75 4.52 3.77 2z9xA1 MET 2 HB2 -0.17 -0.04 0.04 -0.04 2.15 1.93 2z9xA1 MET 2 HB3 -0.09 -0.05 0.04 -0.04 2.03 1.89 2z9xA1 MET 2 HG2 -0.08 0.00 -0.03 -0.04 2.63 2.48 2z9xA1 MET 2 HG3 -0.30 0.08 -0.42 -0.04 2.56 1.88 2z9xA1 MET 2 HE3 -0.61 -0.00 -0.12 -0.04 2.10 1.32 2z9xA1 ARG 3 H -0.17 0.13 0.12 -0.55 8.46 7.99 2z9xA1 ARG 3 HA -0.11 0.46 0.94 -0.75 4.34 4.88 2z9xA1 ARG 3 HB2 -0.07 -0.12 0.00 -0.04 1.90 1.67 2z9xA1 ARG 3 HB3 -0.05 -0.01 -0.06 -0.04 1.80 1.63 2z9xA1 ARG 3 HG2 -0.06 0.00 -0.46 -0.04 1.67 1.11 2z9xA1 ARG 3 HG3 -0.04 -0.10 -0.10 -0.04 1.67 1.38 2z9xA1 ARG 3 HD2 -0.05 -0.10 -0.09 -0.04 3.22 2.94 2z9xA1 ARG 3 HD3 -0.08 0.33 0.04 -0.04 3.22 3.47 2z9xA1 TYR 4 H 0.09 0.74 0.31 -0.55 8.29 8.89 2z9xA1 TYR 4 HA -0.07 0.09 0.71 -0.75 4.56 4.54 2z9xA1 TYR 4 HB2 -0.08 0.08 0.14 -0.04 3.06 3.16 2z9xA1 TYR 4 HB3 -0.08 0.06 -0.06 -0.04 2.98 2.87 2z9xA1 TYR 4 HD2 -0.07 0.12 -0.18 -0.04 7.15 6.98 2z9xA1 TYR 4 HE2 -0.01 0.06 -0.22 -0.04 6.85 6.64 2z9xA1 PRO 5 HA -0.04 0.05 0.43 -0.51 4.44 4.37 2z9xA1 PRO 5 HB2 -0.64 -0.22 -0.01 -0.04 2.28 1.37 2z9xA1 PRO 5 HB3 -0.06 0.02 0.10 -0.04 2.02 2.03 2z9xA1 PRO 5 HG2 -0.22 -0.00 0.09 -0.04 2.03 1.85 2z9xA1 PRO 5 HG3 -0.07 0.09 0.09 -0.04 2.03 2.10 2z9xA1 PRO 5 HD2 -0.07 0.11 0.18 -0.04 3.68 3.86 2z9xA1 PRO 5 HD3 -0.11 0.31 0.35 -0.04 3.65 4.16 2z9xA1 GLU 6 H -0.01 0.11 0.17 -0.55 8.60 8.33 2z9xA1 GLU 6 HA -0.02 0.18 0.35 -0.75 4.29 4.05 2z9xA1 GLU 6 HB2 0.03 -0.07 0.09 -0.04 2.09 2.10 2z9xA1 GLU 6 HB3 0.01 0.01 0.03 -0.04 1.99 2.00 2z9xA1 GLU 6 HG2 -0.01 0.06 0.05 -0.04 2.34 2.41 2z9xA1 GLU 6 HG3 0.00 0.00 0.11 -0.04 2.34 2.42 2z9xA1 HIS 7 H -0.02 -0.03 -0.25 -0.55 8.41 7.57 2z9xA1 HIS 7 HA 0.00 0.00 0.37 -0.75 4.63 4.25 2z9xA1 HIS 7 HB2 0.00 0.00 0.05 -0.04 3.26 3.27 2z9xA1 HIS 7 HB3 0.00 0.00 0.04 -0.04 3.20 3.20 2z9xA1 HIS 7 HD2 0.01 -0.01 -0.34 -0.04 6.97 6.59 2z9xA1 HIS 7 HE1 -0.00 0.02 -0.01 -0.04 7.75 7.71 2z9xA1 ALA 8 H -0.47 0.17 -0.35 -0.55 8.40 7.21 2z9xA1 ALA 8 HA -0.04 0.05 0.65 -0.75 4.34 4.24 2z9xA1 ALA 8 HB3 -0.21 0.01 0.04 -0.04 1.41 1.21 2z9xA1 ASP 9 H -0.01 0.00 0.12 -0.55 8.40 7.96 2z9xA1 ASP 9 HA -0.03 0.06 0.32 -0.75 4.63 4.23 2z9xA1 ASP 9 HB2 -0.00 -0.09 0.13 -0.04 2.71 2.71 2z9xA1 ASP 9 HB3 -0.02 0.20 0.01 -0.04 2.70 2.85 2z9xA1 PRO 10 HA -0.16 0.17 0.60 -0.51 4.44 4.54 2z9xA1 PRO 10 HB2 -0.16 0.09 -0.08 -0.04 2.28 2.10 2z9xA1 PRO 10 HB3 -0.13 0.03 -0.04 -0.04 2.02 1.83 2z9xA1 PRO 10 HG2 -0.09 -0.02 -0.24 -0.04 2.03 1.64 2z9xA1 PRO 10 HG3 -0.09 -0.03 -0.08 -0.04 2.03 1.80 2z9xA1 PRO 10 HD2 -0.05 0.02 0.13 -0.04 3.68 3.73 2z9xA1 PRO 10 HD3 -0.05 0.15 0.10 -0.04 3.65 3.80 2z9xA1 VAL 11 H -0.28 0.44 0.32 -0.55 8.24 8.17 2z9xA1 VAL 11 HA -0.07 0.09 0.64 -0.75 4.13 4.04 2z9xA1 VAL 11 HB -0.20 0.12 0.19 -0.04 2.12 2.19 2z9xA1 VAL 11 HG13 -0.02 -0.03 -0.06 -0.04 0.97 0.83 2z9xA1 VAL 11 HG23 -0.25 -0.01 -0.00 -0.04 0.95 0.65 2z9xA1 ILE 12 H -0.16 0.61 0.29 -0.55 8.25 8.44 2z9xA1 ILE 12 HA -0.10 0.16 0.88 -0.75 4.18 4.36 2z9xA1 ILE 12 HB -0.08 -0.04 0.05 -0.04 1.89 1.78 2z9xA1 ILE 12 HG12 0.04 0.10 -0.16 -0.04 1.49 1.43 2z9xA1 ILE 12 HG13 -0.03 -0.03 -0.33 -0.04 1.21 0.78 2z9xA1 ILE 12 HG23 -0.15 -0.00 -0.11 -0.04 0.93 0.63 2z9xA1 ILE 12 HD13 0.14 -0.01 -0.05 -0.04 0.88 0.92 2z9xA1 THR 13 H -0.14 0.21 0.12 -0.55 8.28 7.91 2z9xA1 THR 13 HA -0.13 0.10 0.97 -0.75 4.39 4.57 2z9xA1 THR 13 HB -0.11 -0.05 0.17 -0.04 4.32 4.29 2z9xA1 THR 13 HG23 -0.07 -0.03 -0.09 -0.04 1.22 0.98 2z9xA1 LEU 14 H -0.09 0.76 0.25 -0.55 8.37 8.74 2z9xA1 LEU 14 HA -0.08 0.18 0.89 -0.75 4.35 4.60 2z9xA1 LEU 14 HB2 0.16 0.05 0.15 -0.04 1.64 1.95 2z9xA1 LEU 14 HB3 0.11 0.06 0.21 -0.04 1.64 1.97 2z9xA1 LEU 14 HG -0.08 -0.09 -0.38 -0.04 1.64 1.04 2z9xA1 LEU 14 HD13 0.17 -0.00 -0.05 -0.04 0.93 1.00 2z9xA1 LEU 14 HD23 -0.21 0.06 -0.03 -0.04 0.89 0.67 2z9xA1 THR 15 H -0.05 0.09 -0.14 -0.55 8.28 7.64 2z9xA1 THR 15 HA 0.02 0.09 0.56 -0.75 4.39 4.31 2z9xA1 THR 15 HB -0.02 -0.07 0.02 -0.04 4.32 4.20 2z9xA1 THR 15 HG23 -0.02 0.00 -0.34 -0.04 1.22 0.82 2z9xA1 ALA 16 H -0.03 0.16 0.05 -0.55 8.40 8.04 2z9xA1 ALA 16 HA -0.04 0.22 0.73 -0.75 4.34 4.49 2z9xA1 ALA 16 HB3 -0.05 0.00 -0.08 -0.04 1.41 1.25 2z9xA1 GLY 17 H -0.03 0.24 -0.32 -0.55 8.43 7.77 2z9xA1 GLY 17 HA2 -0.03 -0.04 0.10 -0.51 4.01 3.52 2z9xA1 GLY 17 HA3 -0.04 0.11 0.77 -0.51 4.01 4.33 2z9xA1 PRO 18 HA -0.02 0.14 0.33 -0.51 4.44 4.38 2z9xA1 PRO 18 HB2 -0.02 0.10 -0.06 -0.04 2.28 2.26 2z9xA1 PRO 18 HB3 -0.01 -0.00 0.12 -0.04 2.02 2.08 2z9xA1 PRO 18 HG2 -0.02 0.04 -0.00 -0.04 2.03 2.01 2z9xA1 PRO 18 HG3 -0.01 0.03 0.07 -0.04 2.03 2.07 2z9xA1 PRO 18 HD2 -0.01 0.12 0.35 -0.04 3.68 4.09 2z9xA1 PRO 18 HD3 -0.01 0.05 0.17 -0.04 3.65 3.82 2z9xA1 VAL 19 H -0.03 0.35 0.15 -0.55 8.24 8.16 2z9xA1 VAL 19 HA -0.06 0.09 0.63 -0.75 4.13 4.04 2z9xA1 VAL 19 HB -0.08 0.04 0.04 -0.04 2.12 2.08 2z9xA1 VAL 19 HG13 -0.04 0.00 -0.34 -0.04 0.97 0.55 2z9xA1 VAL 19 HG23 -0.06 0.14 -0.29 -0.04 0.95 0.70 2z9xA1 ASN 20 H -0.10 0.14 0.09 -0.55 8.53 8.12 2z9xA1 ASN 20 HA -0.06 0.00 0.50 -0.75 4.76 4.44 2z9xA1 ASN 20 HB2 -0.10 0.00 0.14 -0.04 2.88 2.88 2z9xA1 ASN 20 HB3 -0.13 0.00 0.03 -0.04 2.79 2.66 2z9xA1 ASN 20 HD21 -0.03 -0.03 0.02 -0.04 7.03 6.94 2z9xA1 ASN 20 HD22 -0.07 -0.02 0.01 -0.04 7.74 7.62 2z9xA1 ALA 21 H -0.04 0.07 0.10 -0.55 8.40 7.98 2z9xA1 ALA 21 HA -0.09 0.12 0.52 -0.75 4.34 4.14 2z9xA1 ALA 21 HB3 0.02 0.00 -0.07 -0.04 1.41 1.32 2z9xA1 TYR 22 H 0.02 0.52 0.31 -0.55 8.29 8.60 2z9xA1 TYR 22 HA 0.03 0.17 0.63 -0.75 4.56 4.63 2z9xA1 TYR 22 HB2 0.03 -0.01 0.20 -0.04 3.06 3.24 2z9xA1 TYR 22 HB3 0.03 -0.14 0.08 -0.04 2.98 2.91 2z9xA1 TYR 22 HD2 0.04 0.06 0.13 -0.04 7.15 7.34 2z9xA1 TYR 22 HE2 0.07 0.10 -0.12 -0.04 6.85 6.86 2z9xA1 PRO 23 HA 0.06 0.10 0.40 -0.51 4.44 4.49 2z9xA1 PRO 23 HB2 0.07 0.01 0.05 -0.04 2.28 2.37 2z9xA1 PRO 23 HB3 0.05 0.08 0.11 -0.04 2.02 2.22 2z9xA1 PRO 23 HG2 0.09 0.08 0.11 -0.04 2.03 2.27 2z9xA1 PRO 23 HG3 0.06 0.11 0.12 -0.04 2.03 2.29 2z9xA1 PRO 23 HD2 0.22 0.07 0.23 -0.04 3.68 4.16 2z9xA1 PRO 23 HD3 0.14 0.23 0.29 -0.04 3.65 4.27 2z9xA1 GLU 24 H 0.11 0.17 -0.18 -0.55 8.60 8.15 2z9xA1 GLU 24 HA 0.05 0.00 0.38 -0.75 4.29 3.96 2z9xA1 GLU 24 HB2 0.03 0.02 -0.00 -0.04 2.09 2.09 2z9xA1 GLU 24 HB3 0.02 0.00 -0.00 -0.04 1.99 1.97 2z9xA1 GLU 24 HG2 0.00 0.00 0.01 -0.04 2.34 2.31 2z9xA1 GLU 24 HG3 0.03 -0.01 0.01 -0.04 2.34 2.33 2z9xA1 VAL 25 H 0.13 0.23 -0.30 -0.55 8.24 7.75 2z9xA1 VAL 25 HA 0.07 0.06 0.55 -0.75 4.13 4.05 2z9xA1 VAL 25 HB 0.13 0.19 0.22 -0.04 2.12 2.62 2z9xA1 VAL 25 HG13 0.07 -0.01 0.04 -0.04 0.97 1.03 2z9xA1 VAL 25 HG23 0.15 0.02 0.03 -0.04 0.95 1.11 2z9xA1 LEU 26 H 0.07 0.52 -0.12 -0.55 8.37 8.30 2z9xA1 LEU 26 HA 0.04 0.03 0.40 -0.75 4.35 4.06 2z9xA1 LEU 26 HB2 0.04 0.11 0.11 -0.04 1.64 1.87 2z9xA1 LEU 26 HB3 0.03 0.00 0.01 -0.04 1.64 1.64 2z9xA1 LEU 26 HG 0.04 0.11 -0.15 -0.04 1.64 1.60 2z9xA1 LEU 26 HD13 0.02 -0.01 -0.05 -0.04 0.93 0.85 2z9xA1 LEU 26 HD23 0.02 -0.03 -0.02 -0.04 0.89 0.83 2z9xA1 ARG 27 H 0.05 0.36 -0.26 -0.55 8.46 8.06 2z9xA1 ARG 27 HA 0.03 0.00 0.52 -0.75 4.34 4.14 2z9xA1 ARG 27 HB2 0.04 0.05 0.12 -0.04 1.90 2.08 2z9xA1 ARG 27 HB3 0.03 0.00 -0.01 -0.04 1.80 1.78 2z9xA1 ARG 27 HG2 0.03 0.00 0.01 -0.04 1.67 1.66 2z9xA1 ARG 27 HG3 0.04 0.00 0.03 -0.04 1.67 1.70 2z9xA1 ARG 27 HD2 0.03 -0.00 -0.01 -0.04 3.22 3.19 2z9xA1 ARG 27 HD3 0.03 0.00 -0.03 -0.04 3.22 3.18 2z9xA1 GLY 28 H 0.05 0.45 -0.16 -0.55 8.43 8.21 2z9xA1 GLY 28 HA2 0.04 0.00 0.43 -0.51 4.01 3.98 2z9xA1 GLY 28 HA3 0.05 0.08 0.30 -0.51 4.01 3.93 2z9xA1 LEU 29 H 0.05 0.47 -0.22 -0.55 8.37 8.11 2z9xA1 LEU 29 HA 0.05 0.05 0.44 -0.75 4.35 4.14 2z9xA1 LEU 29 HB2 0.04 0.25 0.07 -0.04 1.64 1.95 2z9xA1 LEU 29 HB3 0.04 -0.07 -0.01 -0.04 1.64 1.56 2z9xA1 LEU 29 HG 0.04 0.13 0.03 -0.04 1.64 1.80 2z9xA1 LEU 29 HD13 0.03 -0.02 -0.00 -0.04 0.93 0.90 2z9xA1 LEU 29 HD23 0.04 0.01 -0.06 -0.04 0.89 0.84 2z9xA1 GLY 30 H 0.04 0.28 -0.60 -0.55 8.43 7.60 2z9xA1 GLY 30 HA2 0.03 0.04 0.45 -0.51 4.01 4.02 2z9xA1 GLY 30 HA3 0.03 -0.02 0.28 -0.51 4.01 3.79 2z9xA1 ARG 31 H 0.05 0.38 -0.44 -0.55 8.46 7.90 2z9xA1 ARG 31 HA 0.04 -0.03 0.46 -0.75 4.34 4.06 2z9xA1 ARG 31 HB2 0.07 0.04 0.05 -0.04 1.90 2.02 2z9xA1 ARG 31 HB3 0.07 -0.03 0.04 -0.04 1.80 1.83 2z9xA1 ARG 31 HG2 0.05 -0.07 0.06 -0.04 1.67 1.67 2z9xA1 ARG 31 HG3 0.05 0.13 0.15 -0.04 1.67 1.95 2z9xA1 ARG 31 HD2 0.07 0.01 0.07 -0.04 3.22 3.33 2z9xA1 ARG 31 HD3 0.07 -0.06 0.03 -0.04 3.22 3.22 2z9xA1 THR 32 H 0.04 0.03 0.14 -0.55 8.28 7.95 2z9xA1 THR 32 HA 0.03 0.00 0.43 -0.75 4.39 4.10 2z9xA1 THR 32 HB 0.05 0.00 -0.01 -0.04 4.32 4.31 2z9xA1 THR 32 HG23 0.03 0.02 -0.11 -0.04 1.22 1.11 2z9xA1 VAL 33 H 0.02 0.15 0.13 -0.55 8.24 8.00 2z9xA1 VAL 33 HA 0.01 0.08 0.56 -0.75 4.13 4.03 2z9xA1 VAL 33 HB 0.00 -0.02 0.18 -0.04 2.12 2.23 2z9xA1 VAL 33 HG13 -0.05 -0.01 -0.08 -0.04 0.97 0.80 2z9xA1 VAL 33 HG23 0.01 0.01 0.03 -0.04 0.95 0.97 2z9xA1 LEU 34 H 0.00 0.17 0.11 -0.55 8.37 8.10 2z9xA1 LEU 34 HA 0.05 0.09 0.62 -0.75 4.35 4.36 2z9xA1 LEU 34 HB2 0.08 0.01 0.00 -0.04 1.64 1.69 2z9xA1 LEU 34 HB3 0.12 -0.02 0.09 -0.04 1.64 1.79 2z9xA1 LEU 34 HG 0.12 0.13 -0.05 -0.04 1.64 1.80 2z9xA1 LEU 34 HD13 0.19 -0.02 -0.08 -0.04 0.93 0.98 2z9xA1 LEU 34 HD23 0.08 -0.00 -0.08 -0.04 0.89 0.85 2z9xA1 TYR 35 H 0.17 0.11 0.16 -0.55 8.29 8.17 2z9xA1 TYR 35 HA -0.05 0.10 0.58 -0.75 4.56 4.44 2z9xA1 TYR 35 HB2 0.02 0.10 0.17 -0.04 3.06 3.31 2z9xA1 TYR 35 HB3 0.05 -0.10 0.14 -0.04 2.98 3.03 2z9xA1 TYR 35 HD2 0.06 0.03 -0.01 -0.04 7.15 7.19 2z9xA1 TYR 35 HE2 0.09 0.08 -0.03 -0.04 6.85 6.95 2z9xA1 ASP 36 H -0.16 0.17 0.17 -0.55 8.40 8.04 2z9xA1 ASP 36 HA -0.59 0.10 0.37 -0.75 4.63 3.76 2z9xA1 ASP 36 HB2 -0.65 0.07 0.10 -0.04 2.71 2.19 2z9xA1 ASP 36 HB3 -0.60 0.03 0.13 -0.04 2.70 2.22 2z9xA1 TYR 37 H -0.97 -0.02 -0.29 -0.55 8.29 6.46 2z9xA1 TYR 37 HA -0.09 0.30 0.72 -0.75 4.56 4.74 2z9xA1 TYR 37 HB2 -0.97 -0.06 0.02 -0.04 3.06 2.01 2z9xA1 TYR 37 HB3 -0.19 0.05 0.10 -0.04 2.98 2.90 2z9xA1 TYR 37 HD2 -0.30 -0.02 -0.04 -0.04 7.15 6.75 2z9xA1 TYR 37 HE2 -0.10 0.02 -0.04 -0.04 6.85 6.69 2z9xA1 ASP 38 H -0.01 0.27 -0.42 -0.55 8.40 7.69 2z9xA1 ASP 38 HA 0.19 0.15 0.61 -0.75 4.63 4.83 2z9xA1 ASP 38 HB2 0.24 -0.04 0.17 -0.04 2.71 3.05 2z9xA1 ASP 38 HB3 0.19 -0.03 0.13 -0.04 2.70 2.95 2z9xA1 PRO 39 HA 0.06 0.17 0.41 -0.51 4.44 4.57 2z9xA1 PRO 39 HB2 0.05 0.02 0.01 -0.04 2.28 2.32 2z9xA1 PRO 39 HB3 0.05 0.11 0.13 -0.04 2.02 2.28 2z9xA1 PRO 39 HG2 0.07 -0.04 0.10 -0.04 2.03 2.11 2z9xA1 PRO 39 HG3 0.06 0.09 0.10 -0.04 2.03 2.25 2z9xA1 PRO 39 HD2 0.12 0.02 0.28 -0.04 3.68 4.06 2z9xA1 PRO 39 HD3 0.10 0.27 0.26 -0.04 3.65 4.23 2z9xA1 ALA 40 H 0.10 0.10 -0.27 -0.55 8.40 7.79 2z9xA1 ALA 40 HA 0.07 0.11 0.51 -0.75 4.34 4.27 2z9xA1 ALA 40 HB3 0.09 0.02 0.04 -0.04 1.41 1.52 2z9xA1 PHE 41 H 0.23 0.19 -0.23 -0.55 8.34 7.98 2z9xA1 PHE 41 HA 0.08 0.04 0.63 -0.75 4.62 4.62 2z9xA1 PHE 41 HB2 0.05 -0.09 0.03 -0.04 3.15 3.10 2z9xA1 PHE 41 HB3 0.02 0.24 0.05 -0.04 3.06 3.33 2z9xA1 PHE 41 HD2 0.04 0.15 -0.07 -0.04 7.28 7.36 2z9xA1 PHE 41 HE2 -0.21 0.05 -0.03 -0.04 7.38 7.16 2z9xA1 PHE 41 HZ 0.11 -0.04 -0.10 -0.04 7.32 7.25 2z9xA1 GLN 42 H 0.15 0.55 -0.08 -0.55 8.47 8.55 2z9xA1 GLN 42 HA 0.08 0.11 0.42 -0.75 4.36 4.22 2z9xA1 GLN 42 HB2 0.03 -0.02 0.16 -0.04 2.15 2.28 2z9xA1 GLN 42 HB3 -0.03 0.01 0.13 -0.04 2.02 2.09 2z9xA1 GLN 42 HG2 0.07 0.08 -0.01 -0.04 2.40 2.50 2z9xA1 GLN 42 HG3 0.01 -0.01 -0.07 -0.04 2.39 2.27 2z9xA1 GLN 42 HE21 -0.37 0.13 -0.05 -0.04 6.97 6.64 2z9xA1 GLN 42 HE22 -0.01 -0.10 -0.03 -0.04 7.69 7.51 2z9xA1 LEU 43 H 0.03 0.49 -0.27 -0.55 8.37 8.08 2z9xA1 LEU 43 HA 0.03 0.03 0.49 -0.75 4.35 4.15 2z9xA1 LEU 43 HB2 0.03 0.09 0.14 -0.04 1.64 1.86 2z9xA1 LEU 43 HB3 0.03 0.06 0.16 -0.04 1.64 1.85 2z9xA1 LEU 43 HG 0.02 -0.06 -0.18 -0.04 1.64 1.39 2z9xA1 LEU 43 HD13 0.04 -0.01 0.06 -0.04 0.93 0.98 2z9xA1 LEU 43 HD23 0.03 0.00 -0.00 -0.04 0.89 0.88 2z9xA1 LEU 44 H -0.04 0.47 -0.15 -0.55 8.37 8.11 2z9xA1 LEU 44 HA -0.03 0.00 0.41 -0.75 4.35 3.97 2z9xA1 LEU 44 HB2 -0.02 0.00 0.15 -0.04 1.64 1.72 2z9xA1 LEU 44 HB3 -0.24 0.00 0.22 -0.04 1.64 1.58 2z9xA1 LEU 44 HG -0.14 0.00 -0.37 -0.04 1.64 1.09 2z9xA1 LEU 44 HD13 -0.00 -0.02 0.02 -0.04 0.93 0.89 2z9xA1 LEU 44 HD23 0.01 -0.00 -0.07 -0.04 0.89 0.78 2z9xA1 TYR 45 H -0.25 0.82 -0.12 -0.55 8.29 8.19 2z9xA1 TYR 45 HA -0.16 -0.06 0.37 -0.75 4.56 3.96 2z9xA1 TYR 45 HB2 -0.50 0.04 0.09 -0.04 3.06 2.64 2z9xA1 TYR 45 HB3 0.03 0.20 0.07 -0.04 2.98 3.23 2z9xA1 TYR 45 HD2 0.14 0.06 -0.13 -0.04 7.15 7.18 2z9xA1 TYR 45 HE2 0.40 -0.07 -0.13 -0.04 6.85 7.01 2z9xA1 GLU 46 H 0.14 0.51 -0.13 -0.55 8.60 8.57 2z9xA1 GLU 46 HA 0.31 0.22 0.63 -0.75 4.29 4.70 2z9xA1 GLU 46 HB2 0.15 0.09 0.28 -0.04 2.09 2.58 2z9xA1 GLU 46 HB3 0.12 0.05 0.23 -0.04 1.99 2.35 2z9xA1 GLU 46 HG2 0.23 -0.09 -0.12 -0.04 2.34 2.32 2z9xA1 GLU 46 HG3 0.58 0.08 0.07 -0.04 2.34 3.03 2z9xA1 LYS 47 H 0.04 0.59 -0.09 -0.55 8.42 8.40 2z9xA1 LYS 47 HA 0.03 0.00 0.47 -0.75 4.32 4.07 2z9xA1 LYS 47 HB2 0.00 0.00 0.16 -0.04 1.87 1.99 2z9xA1 LYS 47 HB3 0.01 -0.06 0.07 -0.04 1.79 1.78 2z9xA1 LYS 47 HG2 0.04 0.22 0.08 -0.04 1.46 1.76 2z9xA1 LYS 47 HG3 0.02 0.00 -0.01 -0.04 1.46 1.43 2z9xA1 LYS 47 HD2 0.02 -0.02 0.02 -0.04 1.69 1.67 2z9xA1 LYS 47 HD3 0.04 -0.03 -0.03 -0.04 1.68 1.62 2z9xA1 LYS 47 HE2 0.04 0.01 0.00 -0.04 2.99 3.00 2z9xA1 LYS 47 HE3 0.03 -0.01 -0.01 -0.04 2.99 2.96 2z9xA1 VAL 48 H -0.06 0.67 -0.08 -0.55 8.24 8.22 2z9xA1 VAL 48 HA -0.04 0.02 0.51 -0.75 4.13 3.86 2z9xA1 VAL 48 HB -0.23 0.16 0.16 -0.04 2.12 2.16 2z9xA1 VAL 48 HG13 -0.11 -0.02 -0.17 -0.04 0.97 0.63 2z9xA1 VAL 48 HG23 -0.06 0.03 0.02 -0.04 0.95 0.90 2z9xA1 VAL 49 H -0.07 0.60 -0.09 -0.55 8.24 8.13 2z9xA1 VAL 49 HA -0.05 0.01 0.49 -0.75 4.13 3.82 2z9xA1 VAL 49 HB 0.13 0.18 0.21 -0.04 2.12 2.60 2z9xA1 VAL 49 HG13 0.02 0.00 -0.01 -0.04 0.97 0.93 2z9xA1 VAL 49 HG23 0.05 0.02 0.08 -0.04 0.95 1.06 2z9xA1 ASP 50 H 0.00 0.46 -0.16 -0.55 8.40 8.16 2z9xA1 ASP 50 HA -0.06 0.00 0.48 -0.75 4.63 4.30 2z9xA1 ASP 50 HB2 0.01 0.08 0.21 -0.04 2.71 2.97 2z9xA1 ASP 50 HB3 -0.01 0.00 -0.00 -0.04 2.70 2.64 2z9xA1 LYS 51 H -0.00 0.53 -0.14 -0.55 8.42 8.26 2z9xA1 LYS 51 HA 0.03 0.05 0.48 -0.75 4.32 4.12 2z9xA1 LYS 51 HB2 0.01 0.10 0.17 -0.04 1.87 2.11 2z9xA1 LYS 51 HB3 0.04 -0.05 -0.01 -0.04 1.79 1.73 2z9xA1 LYS 51 HG2 0.02 -0.02 0.02 -0.04 1.46 1.43 2z9xA1 LYS 51 HG3 0.01 0.14 0.08 -0.04 1.46 1.64 2z9xA1 LYS 51 HD2 0.01 -0.02 0.02 -0.04 1.69 1.66 2z9xA1 LYS 51 HD3 0.02 -0.02 -0.03 -0.04 1.68 1.62 2z9xA1 LYS 51 HE2 0.01 -0.00 -0.02 -0.04 2.99 2.94 2z9xA1 LYS 51 HE3 0.01 -0.04 -0.08 -0.04 2.99 2.84 2z9xA1 ALA 52 H -0.01 0.65 -0.08 -0.55 8.40 8.42 2z9xA1 ALA 52 HA 0.04 -0.01 0.50 -0.75 4.34 4.12 2z9xA1 ALA 52 HB3 -0.04 0.03 0.07 -0.04 1.41 1.43 2z9xA1 GLN 53 H -0.02 0.59 -0.15 -0.55 8.47 8.34 2z9xA1 GLN 53 HA -0.03 -0.03 0.42 -0.75 4.36 3.97 2z9xA1 GLN 53 HB2 -0.08 0.03 0.14 -0.04 2.15 2.20 2z9xA1 GLN 53 HB3 -0.05 0.09 0.16 -0.04 2.02 2.17 2z9xA1 GLN 53 HG2 -0.04 0.02 -0.17 -0.04 2.40 2.17 2z9xA1 GLN 53 HG3 -0.06 0.08 -0.03 -0.04 2.39 2.35 2z9xA1 GLN 53 HE21 -0.11 -0.05 -0.25 -0.04 6.97 6.52 2z9xA1 GLN 53 HE22 -0.07 0.29 -0.36 -0.04 7.69 7.52 2z9xA1 LYS 54 H 0.02 0.47 -0.18 -0.55 8.42 8.18 2z9xA1 LYS 54 HA 0.03 0.04 0.44 -0.75 4.32 4.07 2z9xA1 LYS 54 HB2 0.01 0.03 0.14 -0.04 1.87 2.01 2z9xA1 LYS 54 HB3 0.05 0.09 0.21 -0.04 1.79 2.10 2z9xA1 LYS 54 HG2 0.05 0.00 -0.15 -0.04 1.46 1.32 2z9xA1 LYS 54 HG3 0.02 -0.03 0.06 -0.04 1.46 1.46 2z9xA1 LYS 54 HD2 0.00 -0.01 0.01 -0.04 1.69 1.65 2z9xA1 LYS 54 HD3 0.01 -0.01 0.01 -0.04 1.68 1.66 2z9xA1 LYS 54 HE2 -0.01 0.01 -0.00 -0.04 2.99 2.95 2z9xA1 LYS 54 HE3 -0.01 -0.01 0.00 -0.04 2.99 2.93 2z9xA1 ALA 55 H 0.14 0.59 -0.06 -0.55 8.40 8.52 2z9xA1 ALA 55 HA 0.34 0.02 0.39 -0.75 4.34 4.33 2z9xA1 ALA 55 HB3 0.37 -0.00 0.12 -0.04 1.41 1.86 2z9xA1 MET 56 H 0.15 0.52 -0.28 -0.55 8.47 8.31 2z9xA1 MET 56 HA 0.46 0.06 0.61 -0.75 4.52 4.89 2z9xA1 MET 56 HB2 -0.05 0.11 0.08 -0.04 2.15 2.25 2z9xA1 MET 56 HB3 -0.18 -0.16 0.14 -0.04 2.03 1.78 2z9xA1 MET 56 HG2 -0.95 -0.08 -0.04 -0.04 2.63 1.52 2z9xA1 MET 56 HG3 -0.10 0.14 0.01 -0.04 2.56 2.57 2z9xA1 MET 56 HE3 -0.27 -0.02 -0.12 -0.04 2.10 1.64 2z9xA1 ARG 57 H 0.15 0.44 -0.59 -0.55 8.46 7.91 2z9xA1 ARG 57 HA 0.00 0.12 0.32 -0.75 4.34 4.03 2z9xA1 ARG 57 HB2 -0.21 -0.06 0.01 -0.04 1.90 1.60 2z9xA1 ARG 57 HB3 -0.12 -0.06 0.18 -0.04 1.80 1.76 2z9xA1 ARG 57 HG2 -0.05 0.07 0.06 -0.04 1.67 1.71 2z9xA1 ARG 57 HG3 -0.04 0.10 -0.13 -0.04 1.67 1.56 2z9xA1 ARG 57 HD2 -1.17 -0.09 -0.07 -0.04 3.22 1.85 2z9xA1 ARG 57 HD3 -0.24 -0.02 -0.00 -0.04 3.22 2.91 2z9xA1 LEU 58 H -0.00 0.61 -0.06 -0.55 8.37 8.37 2z9xA1 LEU 58 HA -0.04 -0.03 0.52 -0.75 4.35 4.05 2z9xA1 LEU 58 HB2 -0.04 0.04 0.14 -0.04 1.64 1.74 2z9xA1 LEU 58 HB3 -0.04 0.17 -0.01 -0.04 1.64 1.72 2z9xA1 LEU 58 HG -0.09 0.07 -0.09 -0.04 1.64 1.49 2z9xA1 LEU 58 HD13 -0.07 0.00 -0.06 -0.04 0.93 0.76 2z9xA1 LEU 58 HD23 -0.06 -0.04 -0.04 -0.04 0.89 0.72 2z9xA1 SER 59 H -0.03 0.05 0.19 -0.55 8.46 8.13 2z9xA1 SER 59 HA -0.03 0.16 0.59 -0.75 4.49 4.45 2z9xA1 SER 59 HB2 -0.02 0.02 0.12 -0.04 3.95 4.03 2z9xA1 SER 59 HB3 -0.02 0.02 0.11 -0.04 3.93 4.00 2z9xA1 ASN 60 H -0.02 -0.00 -0.12 -0.55 8.53 7.84 2z9xA1 ASN 60 HA -0.07 0.24 0.79 -0.75 4.76 4.97 2z9xA1 ASN 60 HB2 0.02 -0.03 0.16 -0.04 2.88 2.99 2z9xA1 ASN 60 HB3 0.02 0.00 -0.07 -0.04 2.79 2.70 2z9xA1 ASN 60 HD21 0.21 0.45 0.13 -0.04 7.03 7.79 2z9xA1 ASN 60 HD22 0.23 -0.05 -0.01 -0.04 7.74 7.87 2z9xA1 LYS 61 H -0.13 0.12 0.11 -0.55 8.42 7.96 2z9xA1 LYS 61 HA -0.15 0.12 0.48 -0.75 4.32 4.01 2z9xA1 LYS 61 HB2 -0.40 -0.02 0.14 -0.04 1.87 1.55 2z9xA1 LYS 61 HB3 -0.28 0.15 0.01 -0.04 1.79 1.62 2z9xA1 LYS 61 HG2 -0.58 -0.00 -0.04 -0.04 1.46 0.80 2z9xA1 LYS 61 HG3 -0.48 -0.04 -0.07 -0.04 1.46 0.83 2z9xA1 LYS 61 HD2 -1.31 0.01 0.04 -0.04 1.69 0.39 2z9xA1 LYS 61 HD3 -3.31 -0.01 -0.01 -0.04 1.68 -1.70 2z9xA1 LYS 61 HE2 -0.67 0.01 -0.02 -0.04 2.99 2.27 2z9xA1 LYS 61 HE3 -1.63 -0.01 -0.01 -0.04 2.99 1.30 2z9xA1 PRO 62 HA 0.04 0.12 0.80 -0.51 4.44 4.89 2z9xA1 PRO 62 HB2 -0.03 -0.05 -0.16 -0.04 2.28 2.00 2z9xA1 PRO 62 HB3 -0.05 -0.04 -0.08 -0.04 2.02 1.81 2z9xA1 PRO 62 HG2 -0.03 -0.01 -0.03 -0.04 2.03 1.92 2z9xA1 PRO 62 HG3 -0.05 -0.01 -0.28 -0.04 2.03 1.65 2z9xA1 PRO 62 HD2 -0.07 0.09 0.23 -0.04 3.68 3.88 2z9xA1 PRO 62 HD3 -0.06 0.16 0.21 -0.04 3.65 3.93 2z9xA1 VAL 63 H 0.06 0.64 0.32 -0.55 8.24 8.71 2z9xA1 VAL 63 HA 0.23 0.19 0.86 -0.75 4.13 4.66 2z9xA1 VAL 63 HB 0.07 -0.10 0.05 -0.04 2.12 2.10 2z9xA1 VAL 63 HG13 0.24 0.02 -0.23 -0.04 0.97 0.95 2z9xA1 VAL 63 HG23 0.42 0.03 -0.10 -0.04 0.95 1.26 2z9xA1 ILE 64 H 0.14 0.21 0.11 -0.55 8.25 8.16 2z9xA1 ILE 64 HA -0.13 0.34 1.09 -0.75 4.18 4.73 2z9xA1 ILE 64 HB 0.02 -0.00 0.13 -0.04 1.89 1.99 2z9xA1 ILE 64 HG12 -0.11 0.00 -0.05 -0.04 1.49 1.29 2z9xA1 ILE 64 HG13 -0.04 0.00 -0.13 -0.04 1.21 0.99 2z9xA1 ILE 64 HG23 -0.37 -0.01 -0.11 -0.04 0.93 0.40 2z9xA1 ILE 64 HD13 -0.22 0.00 -0.10 -0.04 0.88 0.52 2z9xA1 LEU 65 H -0.24 0.42 0.26 -0.55 8.37 8.26 2z9xA1 LEU 65 HA -0.66 0.24 0.93 -0.75 4.35 4.10 2z9xA1 LEU 65 HB2 -0.18 -0.10 -0.02 -0.04 1.64 1.30 2z9xA1 LEU 65 HB3 -0.21 0.03 -0.05 -0.04 1.64 1.37 2z9xA1 LEU 65 HG -0.16 -0.01 -0.31 -0.04 1.64 1.12 2z9xA1 LEU 65 HD13 -0.09 -0.01 -0.19 -0.04 0.93 0.59 2z9xA1 LEU 65 HD23 -0.28 0.07 -0.09 -0.04 0.89 0.55 2z9xA1 HIS 66 H -0.17 0.22 0.06 -0.55 8.41 7.97 2z9xA1 HIS 66 HA -0.06 0.16 0.58 -0.75 4.63 4.55 2z9xA1 HIS 66 HB2 0.11 0.06 0.15 -0.04 3.26 3.53 2z9xA1 HIS 66 HB3 0.11 -0.01 0.17 -0.04 3.20 3.43 2z9xA1 HIS 66 HD2 -1.42 0.09 -0.02 -0.04 6.97 5.57 2z9xA1 HIS 66 HE1 0.27 0.02 -0.09 -0.04 7.75 7.91 2z9xA1 GLY 67 H -0.08 0.45 -0.06 -0.55 8.43 8.20 2z9xA1 GLY 67 HA2 0.03 0.10 0.48 -0.51 4.01 4.10 2z9xA1 GLY 67 HA3 0.01 -0.00 0.25 -0.51 4.01 3.76 2z9xA1 GLU 68 H 0.01 0.13 0.03 -0.55 8.60 8.22 2z9xA1 GLU 68 HA -0.02 0.18 0.28 -0.75 4.29 3.97 2z9xA1 GLU 68 HB2 -0.00 0.02 0.15 -0.04 2.09 2.22 2z9xA1 GLU 68 HB3 0.01 0.04 0.08 -0.04 1.99 2.08 2z9xA1 GLU 68 HG2 0.02 0.10 -0.00 -0.04 2.34 2.43 2z9xA1 GLU 68 HG3 0.03 -0.10 -0.07 -0.04 2.34 2.16 2z9xA1 PRO 69 HA -0.04 0.05 0.21 -0.51 4.44 4.15 2z9xA1 PRO 69 HB2 -0.03 0.01 -0.02 -0.04 2.28 2.19 2z9xA1 PRO 69 HB3 -0.05 0.02 0.00 -0.04 2.02 1.95 2z9xA1 PRO 69 HG2 -0.05 -0.02 -0.00 -0.04 2.03 1.92 2z9xA1 PRO 69 HG3 -0.05 0.22 0.13 -0.04 2.03 2.29 2z9xA1 PRO 69 HD2 -0.02 0.09 0.15 -0.04 3.68 3.86 2z9xA1 PRO 69 HD3 -0.03 0.19 0.29 -0.04 3.65 4.06 2z9xA1 VAL 70 H 0.06 0.14 -0.34 -0.55 8.24 7.54 2z9xA1 VAL 70 HA 0.19 0.03 0.45 -0.75 4.13 4.06 2z9xA1 VAL 70 HB 0.35 0.06 0.01 -0.04 2.12 2.49 2z9xA1 VAL 70 HG13 0.28 0.00 -0.02 -0.04 0.97 1.19 2z9xA1 VAL 70 HG23 0.10 0.02 -0.14 -0.04 0.95 0.89 2z9xA1 LEU 71 H -0.01 0.61 -0.25 -0.55 8.37 8.17 2z9xA1 LEU 71 HA -0.11 0.07 0.39 -0.75 4.35 3.94 2z9xA1 LEU 71 HB2 -0.02 -0.04 -0.07 -0.04 1.64 1.47 2z9xA1 LEU 71 HB3 -0.05 0.12 -0.17 -0.04 1.64 1.50 2z9xA1 LEU 71 HG -0.06 -0.00 -0.39 -0.04 1.64 1.14 2z9xA1 LEU 71 HD13 -0.04 0.06 -0.12 -0.04 0.93 0.79 2z9xA1 LEU 71 HD23 0.01 0.02 -0.23 -0.04 0.89 0.65 2z9xA1 GLY 72 H -0.07 0.14 -0.25 -0.55 8.43 7.71 2z9xA1 GLY 72 HA2 -0.09 0.09 0.27 -0.51 4.01 3.77 2z9xA1 GLY 72 HA3 -0.08 0.02 0.22 -0.51 4.01 3.66 2z9xA1 LEU 73 H -0.04 0.42 -0.19 -0.55 8.37 8.02 2z9xA1 LEU 73 HA 0.12 0.03 0.39 -0.75 4.35 4.13 2z9xA1 LEU 73 HB2 0.15 0.07 0.10 -0.04 1.64 1.91 2z9xA1 LEU 73 HB3 0.56 0.01 -0.03 -0.04 1.64 2.14 2z9xA1 LEU 73 HG 0.08 0.11 0.00 -0.04 1.64 1.79 2z9xA1 LEU 73 HD13 0.34 -0.03 -0.06 -0.04 0.93 1.14 2z9xA1 LEU 73 HD23 0.08 -0.02 -0.04 -0.04 0.89 0.86 2z9xA1 GLU 74 H -0.60 0.52 -0.13 -0.55 8.60 7.85 2z9xA1 GLU 74 HA -1.22 0.04 0.45 -0.75 4.29 2.80 2z9xA1 GLU 74 HB2 -1.47 -0.01 0.09 -0.04 2.09 0.65 2z9xA1 GLU 74 HB3 -0.52 0.05 0.10 -0.04 1.99 1.58 2z9xA1 GLU 74 HG2 -0.38 0.03 -0.19 -0.04 2.34 1.77 2z9xA1 GLU 74 HG3 -0.96 0.00 0.01 -0.04 2.34 1.35 2z9xA1 ALA 75 H -0.25 0.60 -0.17 -0.55 8.40 8.03 2z9xA1 ALA 75 HA -0.19 0.08 0.41 -0.75 4.34 3.90 2z9xA1 ALA 75 HB3 -0.10 -0.01 -0.02 -0.04 1.41 1.25 2z9xA1 ALA 76 H -0.11 0.50 -0.25 -0.55 8.40 7.99 2z9xA1 ALA 76 HA -0.10 0.01 0.45 -0.75 4.34 3.95 2z9xA1 ALA 76 HB3 0.01 0.01 0.05 -0.04 1.41 1.44 2z9xA1 ALA 77 H -0.04 0.47 -0.12 -0.55 8.40 8.16 2z9xA1 ALA 77 HA 0.06 -0.02 0.46 -0.75 4.34 4.09 2z9xA1 ALA 77 HB3 -0.11 0.03 -0.05 -0.04 1.41 1.23 2z9xA1 ALA 78 H -0.40 0.48 -0.18 -0.55 8.40 7.75 2z9xA1 ALA 78 HA -2.09 0.09 0.30 -0.75 4.34 1.89 2z9xA1 ALA 78 HB3 -0.43 -0.01 0.09 -0.04 1.41 1.01 2z9xA1 SER 79 H -0.24 0.30 -0.27 -0.55 8.46 7.71 2z9xA1 SER 79 HA -0.13 0.14 0.79 -0.75 4.49 4.54 2z9xA1 SER 79 HB2 -0.12 -0.03 0.06 -0.04 3.95 3.81 2z9xA1 SER 79 HB3 -0.07 -0.08 0.08 -0.04 3.93 3.81 2z9xA1 LEU 80 H -0.13 0.52 -0.01 -0.55 8.37 8.20 2z9xA1 LEU 80 HA -0.15 0.14 0.65 -0.75 4.35 4.23 2z9xA1 LEU 80 HB2 -0.11 -0.06 0.05 -0.04 1.64 1.48 2z9xA1 LEU 80 HB3 -0.06 0.01 -0.05 -0.04 1.64 1.49 2z9xA1 LEU 80 HG -0.31 0.04 0.03 -0.04 1.64 1.36 2z9xA1 LEU 80 HD13 -0.24 -0.01 -0.00 -0.04 0.93 0.63 2z9xA1 LEU 80 HD23 -0.03 -0.04 -0.13 -0.04 0.89 0.64 2z9xA1 ILE 81 H -0.09 0.41 -0.13 -0.55 8.25 7.89 2z9xA1 ILE 81 HA 0.00 0.00 0.72 -0.75 4.18 4.15 2z9xA1 ILE 81 HB 0.07 0.25 0.13 -0.04 1.89 2.30 2z9xA1 ILE 81 HG12 0.09 -0.04 -0.15 -0.04 1.49 1.35 2z9xA1 ILE 81 HG13 0.06 -0.11 -0.17 -0.04 1.21 0.95 2z9xA1 ILE 81 HG23 0.11 0.02 -0.32 -0.04 0.93 0.71 2z9xA1 ILE 81 HD13 0.20 -0.03 -0.06 -0.04 0.88 0.94 2z9xA1 SER 82 H 0.02 0.05 0.13 -0.55 8.46 8.11 2z9xA1 SER 82 HA 0.04 0.26 0.72 -0.75 4.49 4.75 2z9xA1 SER 82 HB2 0.02 -0.11 0.07 -0.04 3.95 3.90 2z9xA1 SER 82 HB3 0.04 -0.05 0.11 -0.04 3.93 3.98 2z9xA1 PRO 83 HA 0.05 0.21 0.52 -0.51 4.44 4.71 2z9xA1 PRO 83 HB2 0.05 -0.05 0.05 -0.04 2.28 2.28 2z9xA1 PRO 83 HB3 0.02 0.03 0.14 -0.04 2.02 2.17 2z9xA1 PRO 83 HG2 0.04 -0.02 0.11 -0.04 2.03 2.12 2z9xA1 PRO 83 HG3 0.06 0.17 0.12 -0.04 2.03 2.34 2z9xA1 PRO 83 HD2 0.05 0.01 0.21 -0.04 3.68 3.91 2z9xA1 PRO 83 HD3 0.06 0.17 0.28 -0.04 3.65 4.13 2z9xA1 ASP 84 H 0.08 0.02 -0.28 -0.55 8.40 7.67 2z9xA1 ASP 84 HA 0.19 0.00 0.81 -0.75 4.63 4.88 2z9xA1 ASP 84 HB2 0.06 0.00 0.11 -0.04 2.71 2.84 2z9xA1 ASP 84 HB3 0.07 0.00 0.03 -0.04 2.70 2.77 2z9xA1 ASP 85 H 0.09 0.27 -0.20 -0.55 8.40 8.02 2z9xA1 ASP 85 HA 0.07 0.06 0.57 -0.75 4.63 4.58 2z9xA1 ASP 85 HB2 0.08 0.26 0.14 -0.04 2.71 3.14 2z9xA1 ASP 85 HB3 0.08 -0.04 -0.07 -0.04 2.70 2.62 2z9xA1 VAL 86 H 0.06 0.15 0.23 -0.55 8.24 8.13 2z9xA1 VAL 86 HA 0.13 0.25 0.88 -0.75 4.13 4.63 2z9xA1 VAL 86 HB 0.02 0.06 0.10 -0.04 2.12 2.26 2z9xA1 VAL 86 HG13 0.01 -0.03 -0.28 -0.04 0.97 0.63 2z9xA1 VAL 86 HG23 -0.11 0.01 -0.12 -0.04 0.95 0.69 2z9xA1 VAL 87 H 0.08 0.75 0.20 -0.55 8.24 8.73 2z9xA1 VAL 87 HA 0.08 0.20 0.70 -0.75 4.13 4.35 2z9xA1 VAL 87 HB 0.08 0.04 0.10 -0.04 2.12 2.30 2z9xA1 VAL 87 HG13 0.14 -0.05 -0.28 -0.04 0.97 0.74 2z9xA1 VAL 87 HG23 0.11 0.02 -0.18 -0.04 0.95 0.86 2z9xA1 LEU 88 H 0.05 0.75 0.45 -0.55 8.37 9.08 2z9xA1 LEU 88 HA 0.00 0.27 0.99 -0.75 4.35 4.85 2z9xA1 LEU 88 HB2 -0.01 0.05 0.00 -0.04 1.64 1.64 2z9xA1 LEU 88 HB3 0.01 0.00 0.19 -0.04 1.64 1.80 2z9xA1 LEU 88 HG 0.00 -0.09 -0.39 -0.04 1.64 1.12 2z9xA1 LEU 88 HD13 -0.02 0.02 -0.29 -0.04 0.93 0.61 2z9xA1 LEU 88 HD23 -0.01 -0.00 -0.12 -0.04 0.89 0.71 2z9xA1 ASN 89 H 0.02 0.78 0.31 -0.55 8.53 9.10 2z9xA1 ASN 89 HA 0.06 0.07 0.94 -0.75 4.76 5.07 2z9xA1 ASN 89 HB2 0.11 0.02 -0.03 -0.04 2.88 2.95 2z9xA1 ASN 89 HB3 0.03 0.02 0.10 -0.04 2.79 2.90 2z9xA1 ASN 89 HD21 0.08 0.46 -0.11 -0.04 7.03 7.42 2z9xA1 ASN 89 HD22 0.02 -0.05 -0.21 -0.04 7.74 7.46 2z9xA1 LEU 90 H 0.01 0.59 0.33 -0.55 8.37 8.76 2z9xA1 LEU 90 HA 0.02 0.19 0.89 -0.75 4.35 4.69 2z9xA1 LEU 90 HB2 -0.00 -0.08 0.27 -0.04 1.64 1.78 2z9xA1 LEU 90 HB3 0.01 -0.07 0.02 -0.04 1.64 1.56 2z9xA1 LEU 90 HG 0.00 0.17 -0.04 -0.04 1.64 1.74 2z9xA1 LEU 90 HD13 -0.00 -0.02 -0.12 -0.04 0.93 0.74 2z9xA1 LEU 90 HD23 0.01 0.00 -0.21 -0.04 0.89 0.65 2z9xA1 ALA 91 H 0.04 0.89 0.31 -0.55 8.40 9.09 2z9xA1 ALA 91 HA 0.02 -0.09 0.87 -0.75 4.34 4.38 2z9xA1 ALA 91 HB3 0.07 0.04 -0.11 -0.04 1.41 1.36 2z9xA1 SER 92 H -0.02 0.06 0.10 -0.55 8.46 8.06 2z9xA1 SER 92 HA 0.10 0.30 0.73 -0.75 4.49 4.87 2z9xA1 SER 92 HB2 0.05 0.41 0.09 -0.04 3.95 4.46 2z9xA1 SER 92 HB3 0.04 -0.09 -0.14 -0.04 3.93 3.69 2z9xA1 GLY 93 H -0.28 0.11 0.04 -0.55 8.43 7.76 2z9xA1 GLY 93 HA2 -1.68 0.20 0.38 -0.51 4.01 2.40 2z9xA1 GLY 93 HA3 -0.38 0.06 0.35 -0.51 4.01 3.53 2z9xA1 VAL 94 H -0.29 0.23 0.10 -0.55 8.24 7.73 2z9xA1 VAL 94 HA -0.13 0.13 0.27 -0.75 4.13 3.65 2z9xA1 VAL 94 HB -0.14 -0.03 0.11 -0.04 2.12 2.02 2z9xA1 VAL 94 HG13 -0.35 0.02 -0.17 -0.04 0.97 0.43 2z9xA1 VAL 94 HG23 -0.01 0.08 0.04 -0.04 0.95 1.03 2z9xA1 TYR 95 H 0.06 0.05 -0.06 -0.55 8.29 7.79 2z9xA1 TYR 95 HA -0.02 0.18 0.48 -0.75 4.56 4.45 2z9xA1 TYR 95 HB2 -0.05 -0.07 0.08 -0.04 3.06 2.97 2z9xA1 TYR 95 HB3 0.01 0.06 -0.03 -0.04 2.98 2.99 2z9xA1 TYR 95 HD2 -0.01 -0.04 -0.00 -0.04 7.15 7.06 2z9xA1 TYR 95 HE2 -0.01 0.04 -0.04 -0.04 6.85 6.80 2z9xA1 GLY 96 H 0.02 -0.01 -0.21 -0.55 8.43 7.69 2z9xA1 GLY 96 HA2 0.07 0.10 0.43 -0.51 4.01 4.10 2z9xA1 GLY 96 HA3 0.01 -0.04 0.41 -0.51 4.01 3.88 2z9xA1 LYS 97 H -0.03 0.47 -0.08 -0.55 8.42 8.23 2z9xA1 LYS 97 HA 0.03 0.09 0.34 -0.75 4.32 4.03 2z9xA1 LYS 97 HB2 0.15 -0.01 0.05 -0.04 1.87 2.02 2z9xA1 LYS 97 HB3 0.09 0.02 0.06 -0.04 1.79 1.92 2z9xA1 LYS 97 HG2 0.20 -0.01 -0.08 -0.04 1.46 1.53 2z9xA1 LYS 97 HG3 0.16 0.01 -0.21 -0.04 1.46 1.39 2z9xA1 LYS 97 HD2 0.00 -0.00 -0.02 -0.04 1.69 1.63 2z9xA1 LYS 97 HD3 0.13 -0.01 -0.06 -0.04 1.68 1.70 2z9xA1 LYS 97 HE2 0.07 -0.00 -0.07 -0.04 2.99 2.95 2z9xA1 LYS 97 HE3 -0.01 0.01 -0.07 -0.04 2.99 2.87 2z9xA1 GLY 98 H -0.00 0.41 -0.25 -0.55 8.43 8.04 2z9xA1 GLY 98 HA2 0.12 0.02 0.33 -0.51 4.01 3.97 2z9xA1 GLY 98 HA3 -0.14 0.03 0.30 -0.51 4.01 3.69 2z9xA1 PHE 99 H 0.19 0.42 -0.38 -0.55 8.34 8.01 2z9xA1 PHE 99 HA 0.14 0.00 0.27 -0.75 4.62 4.28 2z9xA1 PHE 99 HB2 0.15 -0.02 0.05 -0.04 3.15 3.29 2z9xA1 PHE 99 HB3 0.08 0.13 0.01 -0.04 3.06 3.24 2z9xA1 PHE 99 HD2 0.25 -0.01 -0.19 -0.04 7.28 7.29 2z9xA1 PHE 99 HE2 0.11 0.07 -0.07 -0.04 7.38 7.45 2z9xA1 PHE 99 HZ 0.07 0.04 -0.11 -0.04 7.32 7.27 2z9xA1 GLY 100 H 0.07 0.36 -0.30 -0.55 8.43 8.02 2z9xA1 GLY 100 HA2 0.04 0.02 0.35 -0.51 4.01 3.91 2z9xA1 GLY 100 HA3 -0.13 0.11 0.23 -0.51 4.01 3.71 2z9xA1 TYR 101 H -0.14 0.31 -0.37 -0.55 8.29 7.55 2z9xA1 TYR 101 HA -0.10 0.09 0.45 -0.75 4.56 4.24 2z9xA1 TYR 101 HB2 -0.41 0.12 0.10 -0.04 3.06 2.83 2z9xA1 TYR 101 HB3 -0.23 -0.01 0.00 -0.04 2.98 2.70 2z9xA1 TYR 101 HD2 -0.16 0.04 0.04 -0.04 7.15 7.03 2z9xA1 TYR 101 HE2 -0.07 -0.04 -0.13 -0.04 6.85 6.56 2z9xA1 TRP 102 H -0.13 0.24 -0.16 -0.55 7.97 7.37 2z9xA1 TRP 102 HA -0.08 0.08 0.55 -0.75 4.62 4.42 2z9xA1 TRP 102 HB2 -0.57 0.08 0.11 -0.04 3.23 2.81 2z9xA1 TRP 102 HB3 -0.21 0.02 -0.04 -0.04 3.23 2.95 2z9xA1 TRP 102 HD1 -0.02 0.07 -0.03 -0.04 7.22 7.20 2z9xA1 TRP 102 HE1 -0.00 -0.00 -0.05 -0.04 10.20 10.11 2z9xA1 TRP 102 HE3 -0.20 0.04 -0.12 -0.04 7.59 7.27 2z9xA1 TRP 102 HZ2 0.02 -0.01 -0.05 -0.04 7.44 7.36 2z9xA1 TRP 102 HZ3 0.18 -0.10 -0.08 -0.04 7.13 7.09 2z9xA1 TRP 102 HH2 0.08 -0.10 -0.01 -0.04 7.19 7.11 2z9xA1 ALA 103 H -0.11 0.45 -0.09 -0.55 8.40 8.11 2z9xA1 ALA 103 HA 0.11 0.04 0.39 -0.75 4.34 4.13 2z9xA1 ALA 103 HB3 0.10 0.01 0.00 -0.04 1.41 1.49 2z9xA1 LYS 104 H -0.02 0.44 -0.29 -0.55 8.42 8.01 2z9xA1 LYS 104 HA -0.02 0.31 0.30 -0.75 4.32 4.15 2z9xA1 LYS 104 HB2 -0.07 0.03 0.08 -0.04 1.87 1.86 2z9xA1 LYS 104 HB3 -0.03 0.03 0.06 -0.04 1.79 1.80 2z9xA1 LYS 104 HG2 -0.04 -0.10 -0.02 -0.04 1.46 1.26 2z9xA1 LYS 104 HG3 -0.04 -0.01 -0.05 -0.04 1.46 1.32 2z9xA1 LYS 104 HD2 -0.05 0.14 0.07 -0.04 1.69 1.81 2z9xA1 LYS 104 HD3 -0.05 -0.06 -0.04 -0.04 1.68 1.50 2z9xA1 LYS 104 HE2 -0.04 -0.05 0.03 -0.04 2.99 2.88 2z9xA1 LYS 104 HE3 -0.04 -0.07 0.01 -0.04 2.99 2.85 2z9xA1 ARG 105 H -0.04 0.20 -0.52 -0.55 8.46 7.56 2z9xA1 ARG 105 HA -0.19 -0.03 0.40 -0.75 4.34 3.78 2z9xA1 ARG 105 HB2 -0.09 -0.02 0.13 -0.04 1.90 1.88 2z9xA1 ARG 105 HB3 -0.49 0.23 0.07 -0.04 1.80 1.56 2z9xA1 ARG 105 HG2 -1.07 0.04 -0.11 -0.04 1.67 0.49 2z9xA1 ARG 105 HG3 -0.29 -0.04 0.05 -0.04 1.67 1.34 2z9xA1 ARG 105 HD2 0.02 -0.02 -0.01 -0.04 3.22 3.17 2z9xA1 ARG 105 HD3 -0.11 -0.05 -0.02 -0.04 3.22 3.00 2z9xA1 TYR 106 H 0.01 0.42 -0.40 -0.55 8.29 7.77 2z9xA1 TYR 106 HA 0.00 0.12 0.75 -0.75 4.56 4.67 2z9xA1 TYR 106 HB2 0.00 -0.03 -0.03 -0.04 3.06 2.97 2z9xA1 TYR 106 HB3 -0.00 0.24 0.03 -0.04 2.98 3.22 2z9xA1 TYR 106 HD2 -0.01 0.08 -0.10 -0.04 7.15 7.08 2z9xA1 TYR 106 HE2 -0.06 -0.08 -0.04 -0.04 6.85 6.63 2z9xA1 SER 107 H 0.03 0.45 -0.04 -0.55 8.46 8.36 2z9xA1 SER 107 HA -0.00 0.09 0.44 -0.75 4.49 4.26 2z9xA1 SER 107 HB2 0.09 0.25 -0.09 -0.04 3.95 4.16 2z9xA1 SER 107 HB3 0.08 -0.09 -0.12 -0.04 3.93 3.76 2z9xA1 PRO 108 HA -0.11 0.15 0.55 -0.51 4.44 4.52 2z9xA1 PRO 108 HB2 -0.21 -0.04 0.08 -0.04 2.28 2.07 2z9xA1 PRO 108 HB3 -0.14 0.01 0.09 -0.04 2.02 1.94 2z9xA1 PRO 108 HG2 -0.99 0.03 0.03 -0.04 2.03 1.06 2z9xA1 PRO 108 HG3 -0.25 -0.02 0.08 -0.04 2.03 1.80 2z9xA1 PRO 108 HD2 -0.27 0.36 0.30 -0.04 3.68 4.03 2z9xA1 PRO 108 HD3 -0.13 0.09 0.15 -0.04 3.65 3.72 2z9xA1 HIS 109 H -0.20 0.20 -0.35 -0.55 8.41 7.52 2z9xA1 HIS 109 HA -0.00 0.07 0.60 -0.75 4.63 4.55 2z9xA1 HIS 109 HB2 0.02 0.22 0.33 -0.04 3.26 3.79 2z9xA1 HIS 109 HB3 0.01 -0.08 0.04 -0.04 3.20 3.13 2z9xA1 HIS 109 HD2 0.01 -0.02 -0.09 -0.04 6.97 6.83 2z9xA1 HIS 109 HE1 0.02 -0.02 0.08 -0.04 7.75 7.79 2z9xA1 LEU 110 H 0.03 0.30 0.18 -0.55 8.37 8.33 2z9xA1 LEU 110 HA 0.03 0.23 1.06 -0.75 4.35 4.91 2z9xA1 LEU 110 HB2 -0.01 0.08 -0.21 -0.04 1.64 1.45 2z9xA1 LEU 110 HB3 -0.03 -0.02 0.06 -0.04 1.64 1.62 2z9xA1 LEU 110 HG -0.03 -0.03 -0.37 -0.04 1.64 1.17 2z9xA1 LEU 110 HD13 0.02 0.01 -0.02 -0.04 0.93 0.91 2z9xA1 LEU 110 HD23 -0.09 -0.02 -0.08 -0.04 0.89 0.65 2z9xA1 LEU 111 H -0.01 0.88 0.38 -0.55 8.37 9.07 2z9xA1 LEU 111 HA -0.07 0.14 0.84 -0.75 4.35 4.51 2z9xA1 LEU 111 HB2 -0.09 0.01 0.06 -0.04 1.64 1.58 2z9xA1 LEU 111 HB3 -0.14 -0.03 0.04 -0.04 1.64 1.47 2z9xA1 LEU 111 HG -0.13 -0.04 -0.29 -0.04 1.64 1.15 2z9xA1 LEU 111 HD13 -0.37 0.01 -0.12 -0.04 0.93 0.41 2z9xA1 LEU 111 HD23 -0.32 0.01 0.01 -0.04 0.89 0.56 2z9xA1 GLU 112 H -0.04 0.26 0.17 -0.55 8.60 8.44 2z9xA1 GLU 112 HA -0.01 0.28 0.95 -0.75 4.29 4.76 2z9xA1 GLU 112 HB2 -0.03 0.02 -0.28 -0.04 2.09 1.76 2z9xA1 GLU 112 HB3 -0.02 -0.03 -0.02 -0.04 1.99 1.87 2z9xA1 GLU 112 HG2 0.01 -0.11 -0.40 -0.04 2.34 1.79 2z9xA1 GLU 112 HG3 0.01 0.24 -0.04 -0.04 2.34 2.51 2z9xA1 ILE 113 H 0.01 0.44 0.23 -0.55 8.25 8.37 2z9xA1 ILE 113 HA 0.01 0.20 0.84 -0.75 4.18 4.48 2z9xA1 ILE 113 HB 0.01 -0.08 0.09 -0.04 1.89 1.87 2z9xA1 ILE 113 HG12 0.01 0.06 -0.01 -0.04 1.49 1.51 2z9xA1 ILE 113 HG13 0.00 0.00 -0.23 -0.04 1.21 0.94 2z9xA1 ILE 113 HG23 0.02 -0.02 -0.20 -0.04 0.93 0.69 2z9xA1 ILE 113 HD13 0.01 -0.01 -0.22 -0.04 0.88 0.62 2z9xA1 GLU 114 H 0.02 0.27 0.08 -0.55 8.60 8.43 2z9xA1 GLU 114 HA 0.07 0.32 1.03 -0.75 4.29 4.96 2z9xA1 GLU 114 HB2 0.04 -0.03 -0.13 -0.04 2.09 1.94 2z9xA1 GLU 114 HB3 0.04 0.01 0.02 -0.04 1.99 2.02 2z9xA1 GLU 114 HG2 0.12 0.09 -0.19 -0.04 2.34 2.33 2z9xA1 GLU 114 HG3 0.18 -0.03 0.02 -0.04 2.34 2.47 2z9xA1 VAL 115 H 0.11 0.55 0.30 -0.55 8.24 8.65 2z9xA1 VAL 115 HA 0.05 0.18 0.81 -0.75 4.13 4.41 2z9xA1 VAL 115 HB 0.05 0.03 0.06 -0.04 2.12 2.21 2z9xA1 VAL 115 HG13 0.03 -0.01 -0.17 -0.04 0.97 0.78 2z9xA1 VAL 115 HG23 0.07 0.04 -0.28 -0.04 0.95 0.75 2z9xA1 PRO 116 HA 0.03 0.07 0.47 -0.51 4.44 4.50 2z9xA1 PRO 116 HB2 -0.01 -0.05 -0.00 -0.04 2.28 2.18 2z9xA1 PRO 116 HB3 -0.03 0.06 0.08 -0.04 2.02 2.09 2z9xA1 PRO 116 HG2 -0.02 0.08 0.07 -0.04 2.03 2.11 2z9xA1 PRO 116 HG3 -0.02 0.08 0.06 -0.04 2.03 2.11 2z9xA1 PRO 116 HD2 0.02 0.08 0.19 -0.04 3.68 3.92 2z9xA1 PRO 116 HD3 0.02 0.18 0.18 -0.04 3.65 3.99 2z9xA1 TYR 117 H 0.18 0.15 0.09 -0.55 8.29 8.16 2z9xA1 TYR 117 HA 0.13 0.36 0.23 -0.75 4.56 4.52 2z9xA1 TYR 117 HB2 0.25 0.03 0.06 -0.04 3.06 3.37 2z9xA1 TYR 117 HB3 0.28 -0.03 0.18 -0.04 2.98 3.37 2z9xA1 TYR 117 HD2 0.08 0.08 -0.26 -0.04 7.15 7.02 2z9xA1 TYR 117 HE2 0.03 0.02 -0.15 -0.04 6.85 6.71 2z9xA1 ASN 118 H 0.04 0.01 -0.58 -0.55 8.53 7.46 2z9xA1 ASN 118 HA 0.16 0.21 0.47 -0.75 4.76 4.85 2z9xA1 ASN 118 HB2 -0.70 0.14 -0.03 -0.04 2.88 2.25 2z9xA1 ASN 118 HB3 -1.42 -0.01 -0.07 -0.04 2.79 1.26 2z9xA1 ASN 118 HD21 -0.32 -0.06 -0.03 -0.04 7.03 6.58 2z9xA1 ASN 118 HD22 -0.52 0.50 -0.02 -0.04 7.74 7.66 2z9xA1 GLU 119 H 0.08 0.54 0.07 -0.55 8.60 8.75 2z9xA1 GLU 119 HA -0.00 0.09 0.88 -0.75 4.29 4.51 2z9xA1 GLU 119 HB2 0.03 0.12 0.05 -0.04 2.09 2.25 2z9xA1 GLU 119 HB3 0.01 0.04 0.11 -0.04 1.99 2.11 2z9xA1 GLU 119 HG2 -0.03 0.02 -0.00 -0.04 2.34 2.28 2z9xA1 GLU 119 HG3 -0.05 -0.10 -0.20 -0.04 2.34 1.96 2z9xA1 ALA 120 H 0.02 0.14 0.16 -0.55 8.40 8.17 2z9xA1 ALA 120 HA 0.04 0.15 0.85 -0.75 4.34 4.63 2z9xA1 ALA 120 HB3 0.03 0.01 0.09 -0.04 1.41 1.50 2z9xA1 ILE 121 H 0.03 0.09 0.08 -0.55 8.25 7.90 2z9xA1 ILE 121 HA 0.02 0.08 0.47 -0.75 4.18 4.00 2z9xA1 ILE 121 HB 0.02 -0.04 0.02 -0.04 1.89 1.85 2z9xA1 ILE 121 HG12 0.03 -0.04 -0.09 -0.04 1.49 1.34 2z9xA1 ILE 121 HG13 0.02 -0.02 -0.12 -0.04 1.21 1.05 2z9xA1 ILE 121 HG23 0.01 0.01 -0.26 -0.04 0.93 0.65 2z9xA1 ILE 121 HD13 0.03 0.02 -0.25 -0.04 0.88 0.64 2z9xA1 ASP 122 H 0.02 0.15 0.13 -0.55 8.40 8.15 2z9xA1 ASP 122 HA 0.01 0.22 0.67 -0.75 4.63 4.78 2z9xA1 ASP 122 HB2 0.01 0.14 0.11 -0.04 2.71 2.93 2z9xA1 ASP 122 HB3 0.01 -0.05 0.20 -0.04 2.70 2.82 2z9xA1 PRO 123 HA 0.01 0.08 0.41 -0.51 4.44 4.43 2z9xA1 PRO 123 HB2 0.01 0.07 -0.05 -0.04 2.28 2.27 2z9xA1 PRO 123 HB3 0.01 0.06 -0.07 -0.04 2.02 1.98 2z9xA1 PRO 123 HG2 0.01 0.07 0.09 -0.04 2.03 2.16 2z9xA1 PRO 123 HG3 0.01 0.06 0.10 -0.04 2.03 2.16 2z9xA1 PRO 123 HD2 0.01 0.08 0.24 -0.04 3.68 3.97 2z9xA1 PRO 123 HD3 0.01 0.36 0.32 -0.04 3.65 4.30 2z9xA1 GLN 124 H 0.01 0.11 -0.28 -0.55 8.47 7.76 2z9xA1 GLN 124 HA 0.01 0.13 0.42 -0.75 4.36 4.17 2z9xA1 GLN 124 HB2 0.01 0.02 0.06 -0.04 2.15 2.20 2z9xA1 GLN 124 HB3 0.01 -0.00 -0.00 -0.04 2.02 1.98 2z9xA1 GLN 124 HG2 0.01 0.04 -0.02 -0.04 2.40 2.39 2z9xA1 GLN 124 HG3 0.01 0.01 -0.09 -0.04 2.39 2.28 2z9xA1 GLN 124 HE21 0.02 0.05 -0.03 -0.04 6.97 6.97 2z9xA1 GLN 124 HE22 0.01 -0.02 -0.01 -0.04 7.69 7.63 2z9xA1 ALA 125 H 0.01 0.11 -0.22 -0.55 8.40 7.76 2z9xA1 ALA 125 HA 0.01 0.09 0.49 -0.75 4.34 4.18 2z9xA1 ALA 125 HB3 0.01 0.03 0.08 -0.04 1.41 1.49 2z9xA1 VAL 126 H 0.01 0.29 -0.31 -0.55 8.24 7.68 2z9xA1 VAL 126 HA -0.01 0.05 0.41 -0.75 4.13 3.83 2z9xA1 VAL 126 HB 0.01 0.13 0.11 -0.04 2.12 2.32 2z9xA1 VAL 126 HG13 -0.01 0.01 -0.16 -0.04 0.97 0.78 2z9xA1 VAL 126 HG23 0.00 0.00 -0.09 -0.04 0.95 0.82 2z9xA1 ALA 127 H 0.01 0.49 -0.08 -0.55 8.40 8.27 2z9xA1 ALA 127 HA 0.01 0.07 0.32 -0.75 4.34 3.99 2z9xA1 ALA 127 HB3 0.04 0.02 0.08 -0.04 1.41 1.51 2z9xA1 ASP 128 H 0.01 0.55 -0.18 -0.55 8.40 8.24 2z9xA1 ASP 128 HA 0.01 0.03 0.41 -0.75 4.63 4.33 2z9xA1 ASP 128 HB2 0.01 0.06 0.12 -0.04 2.71 2.86 2z9xA1 ASP 128 HB3 0.01 -0.02 0.00 -0.04 2.70 2.64 2z9xA1 MET 129 H -0.00 0.45 -0.27 -0.55 8.47 8.09 2z9xA1 MET 129 HA 0.06 0.01 0.43 -0.75 4.52 4.27 2z9xA1 MET 129 HB2 0.02 -0.01 0.08 -0.04 2.15 2.20 2z9xA1 MET 129 HB3 -0.01 0.09 0.12 -0.04 2.03 2.19 2z9xA1 MET 129 HG2 0.00 -0.08 -0.13 -0.04 2.63 2.38 2z9xA1 MET 129 HG3 0.03 0.06 -0.27 -0.04 2.56 2.34 2z9xA1 MET 129 HE3 0.03 -0.01 -0.05 -0.04 2.10 2.03 2z9xA1 LEU 130 H -0.10 0.55 -0.13 -0.55 8.37 8.14 2z9xA1 LEU 130 HA -0.16 0.11 0.35 -0.75 4.35 3.90 2z9xA1 LEU 130 HB2 -0.59 0.04 0.04 -0.04 1.64 1.09 2z9xA1 LEU 130 HB3 -1.36 0.05 -0.04 -0.04 1.64 0.25 2z9xA1 LEU 130 HG -0.14 0.05 -0.03 -0.04 1.64 1.48 2z9xA1 LEU 130 HD13 -0.09 -0.02 -0.26 -0.04 0.93 0.52 2z9xA1 LEU 130 HD23 -0.11 0.00 -0.09 -0.04 0.89 0.65 2z9xA1 LYS 131 H -0.06 0.38 -0.32 -0.55 8.42 7.87 2z9xA1 LYS 131 HA 0.10 0.05 0.42 -0.75 4.32 4.14 2z9xA1 LYS 131 HB2 0.07 -0.00 0.08 -0.04 1.87 1.98 2z9xA1 LYS 131 HB3 0.01 0.09 0.14 -0.04 1.79 1.99 2z9xA1 LYS 131 HG2 0.02 0.02 -0.05 -0.04 1.46 1.41 2z9xA1 LYS 131 HG3 0.04 -0.06 -0.00 -0.04 1.46 1.40 2z9xA1 LYS 131 HD2 0.01 -0.05 -0.02 -0.04 1.69 1.59 2z9xA1 LYS 131 HD3 -0.01 0.04 -0.14 -0.04 1.68 1.53 2z9xA1 LYS 131 HE2 0.01 -0.02 -0.03 -0.04 2.99 2.91 2z9xA1 LYS 131 HE3 0.00 -0.05 -0.03 -0.04 2.99 2.87 2z9xA1 ALA 132 H -0.02 0.44 -0.14 -0.55 8.40 8.12 2z9xA1 ALA 132 HA -0.12 -0.01 0.44 -0.75 4.34 3.90 2z9xA1 ALA 132 HB3 -0.09 -0.02 0.10 -0.04 1.41 1.37 2z9xA1 HIS 133 H 0.01 0.41 -0.46 -0.55 8.41 7.83 2z9xA1 HIS 133 HA -0.01 0.14 0.90 -0.75 4.63 4.91 2z9xA1 HIS 133 HB2 -0.02 0.11 0.11 -0.04 3.26 3.42 2z9xA1 HIS 133 HB3 -0.01 -0.13 0.08 -0.04 3.20 3.10 2z9xA1 HIS 133 HD2 -0.01 0.04 -0.07 -0.04 6.97 6.88 2z9xA1 HIS 133 HE1 0.00 -0.03 -0.03 -0.04 7.75 7.65 2z9xA1 PRO 134 HA 0.07 0.20 0.47 -0.51 4.44 4.68 2z9xA1 PRO 134 HB2 0.05 -0.01 0.05 -0.04 2.28 2.33 2z9xA1 PRO 134 HB3 0.07 0.05 0.13 -0.04 2.02 2.23 2z9xA1 PRO 134 HG2 0.02 -0.05 -0.02 -0.04 2.03 1.95 2z9xA1 PRO 134 HG3 0.01 -0.00 0.04 -0.04 2.03 2.04 2z9xA1 PRO 134 HD2 -0.03 0.08 0.05 -0.04 3.68 3.74 2z9xA1 PRO 134 HD3 -0.01 0.38 -0.19 -0.04 3.65 3.78 2z9xA1 GLU 135 H 0.07 0.00 -0.53 -0.55 8.60 7.59 2z9xA1 GLU 135 HA 0.03 0.14 0.54 -0.75 4.29 4.25 2z9xA1 GLU 135 HB2 0.00 -0.00 0.07 -0.04 2.09 2.12 2z9xA1 GLU 135 HB3 0.03 -0.03 0.02 -0.04 1.99 1.97 2z9xA1 GLU 135 HG2 0.03 0.04 -0.38 -0.04 2.34 1.99 2z9xA1 GLU 135 HG3 -0.00 -0.03 -0.08 -0.04 2.34 2.19 2z9xA1 ILE 136 H 0.06 0.40 -0.27 -0.55 8.25 7.89 2z9xA1 ILE 136 HA 0.04 -0.02 0.45 -0.75 4.18 3.90 2z9xA1 ILE 136 HB 0.01 0.12 0.07 -0.04 1.89 2.05 2z9xA1 ILE 136 HG12 0.00 -0.07 -0.17 -0.04 1.49 1.21 2z9xA1 ILE 136 HG13 0.05 0.01 0.01 -0.04 1.21 1.24 2z9xA1 ILE 136 HG23 0.03 -0.03 -0.18 -0.04 0.93 0.71 2z9xA1 ILE 136 HD13 -0.01 -0.02 -0.10 -0.04 0.88 0.71 2z9xA1 THR 137 H 0.07 0.46 0.46 -0.55 8.28 8.72 2z9xA1 THR 137 HA 0.10 0.33 1.03 -0.75 4.39 5.10 2z9xA1 THR 137 HB 0.16 -0.04 0.15 -0.04 4.32 4.55 2z9xA1 THR 137 HG23 0.07 0.10 -0.02 -0.04 1.22 1.33 2z9xA1 VAL 138 H 0.09 0.39 0.33 -0.55 8.24 8.50 2z9xA1 VAL 138 HA 0.16 0.20 0.93 -0.75 4.13 4.67 2z9xA1 VAL 138 HB 0.10 -0.06 -0.03 -0.04 2.12 2.08 2z9xA1 VAL 138 HG13 0.10 -0.03 -0.23 -0.04 0.97 0.77 2z9xA1 VAL 138 HG23 0.06 0.00 -0.19 -0.04 0.95 0.78 2z9xA1 VAL 139 H 0.08 0.76 0.35 -0.55 8.24 8.88 2z9xA1 VAL 139 HA 0.04 0.29 1.07 -0.75 4.13 4.78 2z9xA1 VAL 139 HB 0.02 -0.03 0.05 -0.04 2.12 2.12 2z9xA1 VAL 139 HG13 0.00 -0.01 -0.11 -0.04 0.97 0.81 2z9xA1 VAL 139 HG23 0.02 0.00 -0.22 -0.04 0.95 0.71 2z9xA1 SER 140 H 0.01 0.60 0.40 -0.55 8.46 8.92 2z9xA1 SER 140 HA -0.15 0.26 1.21 -0.75 4.49 5.06 2z9xA1 SER 140 HB2 -0.66 -0.05 -0.01 -0.04 3.95 3.18 2z9xA1 SER 140 HB3 -0.18 0.03 -0.08 -0.04 3.93 3.67 2z9xA1 VAL 141 H -0.20 0.61 0.39 -0.55 8.24 8.50 2z9xA1 VAL 141 HA -0.05 0.15 0.89 -0.75 4.13 4.37 2z9xA1 VAL 141 HB -0.03 0.09 -0.30 -0.04 2.12 1.83 2z9xA1 VAL 141 HG13 -0.06 0.01 -0.12 -0.04 0.97 0.76 2z9xA1 VAL 141 HG23 -0.01 0.00 -0.11 -0.04 0.95 0.79 2z9xA1 CYS 142 H -0.02 0.23 0.16 -0.55 8.50 8.33 2z9xA1 CYS 142 HA -0.05 0.09 0.98 -0.75 4.58 4.84 2z9xA1 CYS 142 HB2 0.02 0.05 -0.07 -0.04 2.97 2.92 2z9xA1 CYS 142 HB3 0.01 -0.04 0.06 -0.04 2.97 2.96 2z9xA1 HIS 143 H 0.04 0.64 0.23 -0.55 8.41 8.78 2z9xA1 HIS 143 HA -0.02 0.08 0.59 -0.75 4.63 4.53 2z9xA1 HIS 143 HB2 -0.08 -0.00 0.07 -0.04 3.26 3.22 2z9xA1 HIS 143 HB3 -0.05 -0.13 0.23 -0.04 3.20 3.21 2z9xA1 HIS 143 HD2 -0.02 0.19 0.22 -0.04 6.97 7.32 2z9xA1 HIS 143 HE1 -0.10 0.09 -0.15 -0.04 7.75 7.55 2z9xA1 HIS 144 H 0.04 0.08 0.03 -0.55 8.41 8.02 2z9xA1 HIS 144 HA -0.11 0.49 0.91 -0.75 4.63 5.17 2z9xA1 HIS 144 HB2 -0.26 0.07 -0.17 -0.04 3.26 2.86 2z9xA1 HIS 144 HB3 -0.14 -0.22 -0.10 -0.04 3.20 2.70 2z9xA1 HIS 144 HD2 -0.05 0.33 -0.21 -0.04 6.97 6.99 2z9xA1 HIS 144 HE1 -0.04 0.09 -0.20 -0.04 7.75 7.55 2z9xA1 ASP 145 H 0.08 0.55 -0.02 -0.55 8.40 8.46 2z9xA1 ASP 145 HA -0.05 -0.00 0.65 -0.75 4.63 4.47 2z9xA1 ASP 145 HB2 0.00 0.11 -0.06 -0.04 2.71 2.72 2z9xA1 ASP 145 HB3 -0.00 0.14 0.09 -0.04 2.70 2.88 2z9xA1 THR 146 H -0.28 0.20 0.14 -0.55 8.28 7.79 2z9xA1 THR 146 HA -0.74 0.06 -0.05 -0.75 4.39 2.90 2z9xA1 THR 146 HB -0.20 0.03 0.03 -0.04 4.32 4.14 2z9xA1 THR 146 HG23 -0.26 0.07 -0.03 -0.04 1.22 0.96 2z9xA1 PRO 147 HA -0.08 0.18 0.41 -0.51 4.44 4.44 2z9xA1 PRO 147 HB2 -0.05 -0.05 0.00 -0.04 2.28 2.14 2z9xA1 PRO 147 HB3 -0.06 -0.04 0.12 -0.04 2.02 2.00 2z9xA1 PRO 147 HG2 0.06 -0.07 -0.00 -0.04 2.03 1.98 2z9xA1 PRO 147 HG3 0.11 0.16 -0.02 -0.04 2.03 2.23 2z9xA1 PRO 147 HD2 0.12 -0.11 -0.23 -0.04 3.68 3.42 2z9xA1 PRO 147 HD3 0.10 0.10 0.09 -0.04 3.65 3.90 2z9xA1 SER 148 H -0.02 0.43 -0.32 -0.55 8.46 8.00 2z9xA1 SER 148 HA -0.13 0.20 0.90 -0.75 4.49 4.70 2z9xA1 SER 148 HB2 0.11 -0.03 0.07 -0.04 3.95 4.06 2z9xA1 SER 148 HB3 0.35 0.11 0.09 -0.04 3.93 4.44 2z9xA1 GLY 149 H 0.06 0.24 -0.09 -0.55 8.43 8.09 2z9xA1 GLY 149 HA2 0.47 -0.01 0.22 -0.51 4.01 4.18 2z9xA1 GLY 149 HA3 0.14 0.01 0.38 -0.51 4.01 4.03 2z9xA1 THR 150 H 0.20 0.06 -0.19 -0.55 8.28 7.81 2z9xA1 THR 150 HA 0.07 0.37 1.01 -0.75 4.39 5.09 2z9xA1 THR 150 HB 0.08 0.03 -0.15 -0.04 4.32 4.24 2z9xA1 THR 150 HG23 0.16 0.05 -0.31 -0.04 1.22 1.09 2z9xA1 ILE 151 H 0.02 0.58 0.25 -0.55 8.25 8.54 2z9xA1 ILE 151 HA -0.03 0.25 0.98 -0.75 4.18 4.62 2z9xA1 ILE 151 HB -0.05 0.09 0.01 -0.04 1.89 1.90 2z9xA1 ILE 151 HG12 -0.17 -0.02 -0.43 -0.04 1.49 0.82 2z9xA1 ILE 151 HG13 -0.19 0.08 -0.16 -0.04 1.21 0.90 2z9xA1 ILE 151 HG23 -0.10 -0.03 -0.18 -0.04 0.93 0.58 2z9xA1 ILE 151 HD13 -0.43 -0.02 -0.16 -0.04 0.88 0.23 2z9xA1 ASN 152 H 0.10 0.62 0.41 -0.55 8.53 9.11 2z9xA1 ASN 152 HA 0.05 0.19 0.97 -0.75 4.76 5.22 2z9xA1 ASN 152 HB2 0.08 0.10 0.19 -0.04 2.88 3.21 2z9xA1 ASN 152 HB3 0.05 -0.02 -0.02 -0.04 2.79 2.76 2z9xA1 ASN 152 HD21 0.03 -0.16 -0.01 -0.04 7.03 6.84 2z9xA1 ASN 152 HD22 0.03 0.43 0.15 -0.04 7.74 8.32 2z9xA1 PRO 153 HA 0.04 0.13 0.55 -0.51 4.44 4.65 2z9xA1 PRO 153 HB2 0.01 -0.11 0.23 -0.04 2.28 2.38 2z9xA1 PRO 153 HB3 0.02 0.12 0.14 -0.04 2.02 2.26 2z9xA1 PRO 153 HG2 0.02 -0.07 0.11 -0.04 2.03 2.04 2z9xA1 PRO 153 HG3 0.02 0.10 0.16 -0.04 2.03 2.27 2z9xA1 PRO 153 HD2 0.03 0.06 0.22 -0.04 3.68 3.95 2z9xA1 PRO 153 HD3 0.03 0.21 0.22 -0.04 3.65 4.07 2z9xA1 ILE 154 H -0.02 0.51 0.12 -0.55 8.25 8.31 2z9xA1 ILE 154 HA -0.03 0.06 0.13 -0.75 4.18 3.58 2z9xA1 ILE 154 HB -0.11 0.03 -0.05 -0.04 1.89 1.73 2z9xA1 ILE 154 HG12 -0.60 0.12 0.09 -0.04 1.49 1.06 2z9xA1 ILE 154 HG13 -0.24 0.01 -0.12 -0.04 1.21 0.83 2z9xA1 ILE 154 HG23 -0.03 0.04 -0.14 -0.04 0.93 0.75 2z9xA1 ILE 154 HD13 -0.49 -0.02 -0.09 -0.04 0.88 0.24 2z9xA1 ASP 155 H -0.05 0.10 -0.19 -0.55 8.40 7.71 2z9xA1 ASP 155 HA -0.03 0.13 0.51 -0.75 4.63 4.48 2z9xA1 ASP 155 HB2 -0.02 -0.06 0.06 -0.04 2.71 2.64 2z9xA1 ASP 155 HB3 -0.02 0.15 0.01 -0.04 2.70 2.81 2z9xA1 ALA 156 H -0.01 0.07 -0.15 -0.55 8.40 7.77 2z9xA1 ALA 156 HA 0.00 0.11 0.45 -0.75 4.34 4.14 2z9xA1 ALA 156 HB3 0.01 0.03 0.09 -0.04 1.41 1.49 2z9xA1 ILE 157 H -0.00 0.51 -0.09 -0.55 8.25 8.12 2z9xA1 ILE 157 HA 0.01 0.02 0.40 -0.75 4.18 3.86 2z9xA1 ILE 157 HB -0.01 -0.02 -0.01 -0.04 1.89 1.82 2z9xA1 ILE 157 HG12 0.01 -0.04 -0.09 -0.04 1.49 1.33 2z9xA1 ILE 157 HG13 0.01 0.04 -0.02 -0.04 1.21 1.20 2z9xA1 ILE 157 HG23 -0.00 0.00 -0.22 -0.04 0.93 0.67 2z9xA1 ILE 157 HD13 0.01 -0.02 -0.26 -0.04 0.88 0.57 2z9xA1 GLY 158 H -0.01 0.65 -0.18 -0.55 8.43 8.35 2z9xA1 GLY 158 HA2 -0.00 -0.05 0.35 -0.51 4.01 3.80 2z9xA1 GLY 158 HA3 -0.01 0.34 0.33 -0.51 4.01 4.17 2z9xA1 ALA 159 H 0.00 0.42 -0.30 -0.55 8.40 7.98 2z9xA1 ALA 159 HA -0.00 0.05 0.46 -0.75 4.34 4.09 2z9xA1 ALA 159 HB3 0.00 0.02 0.09 -0.04 1.41 1.48 2z9xA1 LEU 160 H 0.02 0.37 -0.25 -0.55 8.37 7.96 2z9xA1 LEU 160 HA 0.07 0.06 0.49 -0.75 4.35 4.22 2z9xA1 LEU 160 HB2 0.04 0.13 0.12 -0.04 1.64 1.89 2z9xA1 LEU 160 HB3 0.09 -0.02 -0.06 -0.04 1.64 1.61 2z9xA1 LEU 160 HG 0.03 0.04 -0.00 -0.04 1.64 1.66 2z9xA1 LEU 160 HD13 0.03 -0.05 -0.05 -0.04 0.93 0.81 2z9xA1 LEU 160 HD23 0.06 -0.01 -0.02 -0.04 0.89 0.88 2z9xA1 VAL 161 H 0.03 0.44 -0.12 -0.55 8.24 8.05 2z9xA1 VAL 161 HA 0.06 0.06 0.46 -0.75 4.13 3.95 2z9xA1 VAL 161 HB 0.01 0.08 0.05 -0.04 2.12 2.22 2z9xA1 VAL 161 HG13 0.02 0.04 -0.39 -0.04 0.97 0.60 2z9xA1 VAL 161 HG23 0.01 0.02 -0.12 -0.04 0.95 0.83 2z9xA1 SER 162 H 0.01 0.60 -0.12 -0.55 8.46 8.40 2z9xA1 SER 162 HA -0.03 0.10 0.49 -0.75 4.49 4.30 2z9xA1 SER 162 HB2 -0.02 0.04 0.13 -0.04 3.95 4.06 2z9xA1 SER 162 HB3 -0.01 0.07 0.15 -0.04 3.93 4.09 2z9xA1 ALA 163 H 0.02 0.40 -0.31 -0.55 8.40 7.96 2z9xA1 ALA 163 HA -0.05 -0.02 0.36 -0.75 4.34 3.88 2z9xA1 ALA 163 HB3 -0.04 0.01 0.10 -0.04 1.41 1.44 2z9xA1 HIS 164 H 0.11 0.31 -0.55 -0.55 8.41 7.73 2z9xA1 HIS 164 HA -0.00 0.12 0.77 -0.75 4.63 4.76 2z9xA1 HIS 164 HB2 0.00 0.04 0.09 -0.04 3.26 3.36 2z9xA1 HIS 164 HB3 0.01 0.05 0.12 -0.04 3.20 3.34 2z9xA1 HIS 164 HD2 0.00 0.15 -0.05 -0.04 6.97 7.03 2z9xA1 HIS 164 HE1 0.01 -0.01 -0.23 -0.04 7.75 7.47 2z9xA1 GLY 165 H -0.00 0.44 -0.36 -0.55 8.43 7.96 2z9xA1 GLY 165 HA2 -0.06 -0.02 0.32 -0.51 4.01 3.75 2z9xA1 GLY 165 HA3 -0.02 -0.00 0.38 -0.51 4.01 3.86 2z9xA1 ALA 166 H 0.02 0.35 -0.22 -0.55 8.40 8.00 2z9xA1 ALA 166 HA 0.02 0.23 0.78 -0.75 4.34 4.62 2z9xA1 ALA 166 HB3 0.06 -0.00 -0.30 -0.04 1.41 1.13 2z9xA1 TYR 167 H 0.26 0.71 0.31 -0.55 8.29 9.03 2z9xA1 TYR 167 HA 0.01 0.07 0.70 -0.75 4.56 4.58 2z9xA1 TYR 167 HB2 0.02 0.04 0.21 -0.04 3.06 3.29 2z9xA1 TYR 167 HB3 -0.00 -0.12 -0.00 -0.04 2.98 2.82 2z9xA1 TYR 167 HD2 0.01 0.09 0.10 -0.04 7.15 7.31 2z9xA1 TYR 167 HE2 0.02 -0.04 -0.16 -0.04 6.85 6.64 2z9xA1 LEU 168 H 0.09 0.10 0.23 -0.55 8.37 8.24 2z9xA1 LEU 168 HA 0.03 0.37 1.10 -0.75 4.35 5.11 2z9xA1 LEU 168 HB2 0.01 0.12 -0.05 -0.04 1.64 1.68 2z9xA1 LEU 168 HB3 0.02 -0.10 0.18 -0.04 1.64 1.70 2z9xA1 LEU 168 HG -0.02 -0.07 -0.34 -0.04 1.64 1.17 2z9xA1 LEU 168 HD13 -0.01 0.03 -0.14 -0.04 0.93 0.77 2z9xA1 LEU 168 HD23 -0.00 -0.04 -0.15 -0.04 0.89 0.66 2z9xA1 ILE 169 H -0.03 0.76 0.42 -0.55 8.25 8.85 2z9xA1 ILE 169 HA -0.05 0.20 1.07 -0.75 4.18 4.65 2z9xA1 ILE 169 HB -0.22 -0.05 0.15 -0.04 1.89 1.72 2z9xA1 ILE 169 HG12 -0.01 -0.00 -0.07 -0.04 1.49 1.37 2z9xA1 ILE 169 HG13 0.02 -0.02 -0.27 -0.04 1.21 0.90 2z9xA1 ILE 169 HG23 -0.15 -0.02 -0.12 -0.04 0.93 0.60 2z9xA1 ILE 169 HD13 0.16 0.01 -0.20 -0.04 0.88 0.81 2z9xA1 VAL 170 H -0.10 0.74 0.42 -0.55 8.24 8.76 2z9xA1 VAL 170 HA -0.15 0.32 1.08 -0.75 4.13 4.62 2z9xA1 VAL 170 HB -0.11 -0.05 0.16 -0.04 2.12 2.07 2z9xA1 VAL 170 HG13 -0.21 -0.04 -0.27 -0.04 0.97 0.41 2z9xA1 VAL 170 HG23 -0.01 0.02 -0.24 -0.04 0.95 0.68 2z9xA1 ASP 171 H -0.16 0.61 0.38 -0.55 8.40 8.68 2z9xA1 ASP 171 HA -0.18 0.18 0.92 -0.75 4.63 4.80 2z9xA1 ASP 171 HB2 -0.07 0.12 0.11 -0.04 2.71 2.82 2z9xA1 ASP 171 HB3 -0.08 -0.06 0.33 -0.04 2.70 2.85 2z9xA1 ALA 172 H -0.36 0.85 0.21 -0.55 8.40 8.55 2z9xA1 ALA 172 HA -0.05 0.06 0.91 -0.75 4.34 4.50 2z9xA1 ALA 172 HB3 -0.43 0.03 0.01 -0.04 1.41 0.98 2z9xA1 VAL 173 H -0.14 0.12 -0.06 -0.55 8.24 7.61 2z9xA1 VAL 173 HA -0.07 -0.04 0.52 -0.75 4.13 3.78 2z9xA1 VAL 173 HB -0.17 -0.01 0.08 -0.04 2.12 1.97 2z9xA1 VAL 173 HG13 -0.10 0.01 -0.15 -0.04 0.97 0.69 2z9xA1 VAL 173 HG23 -0.10 0.00 -0.07 -0.04 0.95 0.75 2z9xA1 SER 174 H -0.08 0.04 -0.20 -0.55 8.46 7.67 2z9xA1 SER 174 HA -0.01 0.21 0.82 -0.75 4.49 4.76 2z9xA1 SER 174 HB2 -0.01 0.12 0.13 -0.04 3.95 4.15 2z9xA1 SER 174 HB3 -0.16 0.01 -0.01 -0.04 3.93 3.73 2z9xA1 SER 175 H 0.03 0.15 -0.30 -0.55 8.46 7.80 2z9xA1 SER 175 HA -0.07 0.26 0.79 -0.75 4.49 4.72 2z9xA1 SER 175 HB2 -0.19 0.07 -0.09 -0.04 3.95 3.70 2z9xA1 SER 175 HB3 -0.19 -0.01 -0.16 -0.04 3.93 3.52 2z9xA1 PHE 176 H 0.14 0.38 0.17 -0.55 8.34 8.48 2z9xA1 PHE 176 HA -0.05 0.09 0.38 -0.75 4.62 4.29 2z9xA1 PHE 176 HB2 0.12 -0.06 0.10 -0.04 3.15 3.28 2z9xA1 PHE 176 HB3 0.00 -0.02 0.15 -0.04 3.06 3.16 2z9xA1 PHE 176 HD2 -0.03 -0.00 -0.09 -0.04 7.28 7.11 2z9xA1 PHE 176 HE2 -0.06 0.05 0.03 -0.04 7.38 7.35 2z9xA1 PHE 176 HZ 0.14 0.08 -0.46 -0.04 7.32 7.04 2z9xA1 GLY 177 H -0.94 0.24 0.25 -0.55 8.43 7.43 2z9xA1 GLY 177 HA2 -0.46 0.05 0.38 -0.51 4.01 3.46 2z9xA1 GLY 177 HA3 -0.44 0.08 0.55 -0.51 4.01 3.69 2z9xA1 GLY 178 H -0.25 0.47 -0.26 -0.55 8.43 7.84 2z9xA1 GLY 178 HA2 -0.81 0.21 0.78 -0.51 4.01 3.67 2z9xA1 GLY 178 HA3 -0.50 0.00 0.21 -0.51 4.01 3.22 2z9xA1 MET 179 H -0.50 0.20 0.12 -0.55 8.47 7.75 2z9xA1 MET 179 HA -0.38 0.11 0.46 -0.75 4.52 3.96 2z9xA1 MET 179 HB2 -0.25 -0.02 0.09 -0.04 2.15 1.93 2z9xA1 MET 179 HB3 -0.19 0.18 -0.07 -0.04 2.03 1.91 2z9xA1 MET 179 HG2 -0.24 0.09 -0.16 -0.04 2.63 2.28 2z9xA1 MET 179 HG3 -0.19 0.00 -0.43 -0.04 2.56 1.90 2z9xA1 MET 179 HE3 -0.12 0.03 -0.05 -0.04 2.10 1.92 2z9xA1 LYS 180 H -0.67 0.19 0.09 -0.55 8.42 7.47 2z9xA1 LYS 180 HA -2.19 0.07 0.53 -0.75 4.32 1.97 2z9xA1 LYS 180 HB2 -0.64 0.02 0.10 -0.04 1.87 1.31 2z9xA1 LYS 180 HB3 -0.33 0.01 0.18 -0.04 1.79 1.61 2z9xA1 LYS 180 HG2 -0.13 -0.04 -0.19 -0.04 1.46 1.06 2z9xA1 LYS 180 HG3 -0.15 0.02 -0.04 -0.04 1.46 1.25 2z9xA1 LYS 180 HD2 0.23 0.01 -0.01 -0.04 1.69 1.88 2z9xA1 LYS 180 HD3 0.02 0.01 0.01 -0.04 1.68 1.67 2z9xA1 LYS 180 HE2 0.09 0.03 -0.02 -0.04 2.99 3.05 2z9xA1 LYS 180 HE3 0.04 -0.01 -0.03 -0.04 2.99 2.94 2z9xA1 THR 181 H -0.88 0.37 0.28 -0.55 8.28 7.50 2z9xA1 THR 181 HA -0.15 0.04 0.39 -0.75 4.39 3.91 2z9xA1 THR 181 HB -0.00 0.16 -0.05 -0.04 4.32 4.38 2z9xA1 THR 181 HG23 0.04 -0.00 -0.28 -0.04 1.22 0.94 2z9xA1 HIS 182 H -0.03 0.25 0.14 -0.55 8.41 8.23 2z9xA1 HIS 182 HA -0.13 0.23 0.69 -0.75 4.63 4.66 2z9xA1 HIS 182 HB2 -0.05 -0.20 -0.04 -0.04 3.26 2.94 2z9xA1 HIS 182 HB3 -0.06 0.31 0.07 -0.04 3.20 3.48 2z9xA1 HIS 182 HD2 0.34 0.06 -0.06 -0.04 6.97 7.26 2z9xA1 HIS 182 HE1 0.24 -0.05 -0.06 -0.04 7.75 7.84 2z9xA1 PRO 183 HA -0.48 0.03 0.36 -0.51 4.44 3.84 2z9xA1 PRO 183 HB2 -0.19 0.05 0.03 -0.04 2.28 2.14 2z9xA1 PRO 183 HB3 -0.19 0.06 -0.03 -0.04 2.02 1.82 2z9xA1 PRO 183 HG2 -0.30 0.10 0.06 -0.04 2.03 1.86 2z9xA1 PRO 183 HG3 -0.83 -0.02 0.07 -0.04 2.03 1.21 2z9xA1 PRO 183 HD2 -0.23 0.54 0.27 -0.04 3.68 4.22 2z9xA1 PRO 183 HD3 -0.89 0.10 0.18 -0.04 3.65 3.01 2z9xA1 GLU 184 H -0.09 0.27 -0.18 -0.55 8.60 8.05 2z9xA1 GLU 184 HA -0.04 0.00 0.38 -0.75 4.29 3.87 2z9xA1 GLU 184 HB2 -0.03 0.00 0.03 -0.04 2.09 2.05 2z9xA1 GLU 184 HB3 -0.04 0.00 0.11 -0.04 1.99 2.01 2z9xA1 GLU 184 HG2 -0.03 -0.03 -0.00 -0.04 2.34 2.24 2z9xA1 GLU 184 HG3 -0.02 -0.02 -0.18 -0.04 2.34 2.08 2z9xA1 ASP 185 H -0.00 0.19 -0.35 -0.55 8.40 7.69 2z9xA1 ASP 185 HA 0.00 0.12 0.30 -0.75 4.63 4.29 2z9xA1 ASP 185 HB2 0.01 -0.01 0.10 -0.04 2.71 2.77 2z9xA1 ASP 185 HB3 0.01 0.02 -0.03 -0.04 2.70 2.66 2z9xA1 CYS 186 H -0.02 0.25 -0.25 -0.55 8.50 7.93 2z9xA1 CYS 186 HA -0.02 0.22 0.84 -0.75 4.58 4.87 2z9xA1 CYS 186 HB2 -0.02 0.11 -0.04 -0.04 2.97 2.98 2z9xA1 CYS 186 HB3 -0.05 -0.15 -0.28 -0.04 2.97 2.45 2z9xA1 LYS 187 H -0.02 0.24 -0.43 -0.55 8.42 7.66 2z9xA1 LYS 187 HA -0.02 -0.01 0.28 -0.75 4.32 3.82 2z9xA1 LYS 187 HB2 -0.01 0.16 -0.07 -0.04 1.87 1.90 2z9xA1 LYS 187 HB3 -0.02 -0.02 0.12 -0.04 1.79 1.83 2z9xA1 LYS 187 HG2 -0.01 0.01 -0.01 -0.04 1.46 1.40 2z9xA1 LYS 187 HG3 -0.01 -0.02 -0.34 -0.04 1.46 1.05 2z9xA1 LYS 187 HD2 -0.01 0.04 -0.17 -0.04 1.69 1.51 2z9xA1 LYS 187 HD3 -0.02 -0.01 -0.02 -0.04 1.68 1.59 2z9xA1 LYS 187 HE2 -0.01 0.01 -0.06 -0.04 2.99 2.89 2z9xA1 LYS 187 HE3 -0.01 -0.00 -0.01 -0.04 2.99 2.92 2z9xA1 ALA 188 H -0.00 0.39 -0.09 -0.55 8.40 8.14 2z9xA1 ALA 188 HA 0.03 0.12 0.45 -0.75 4.34 4.18 2z9xA1 ALA 188 HB3 0.11 -0.03 -0.13 -0.04 1.41 1.33 2z9xA1 ASP 189 H 0.04 0.56 0.38 -0.55 8.40 8.83 2z9xA1 ASP 189 HA 0.02 0.03 0.94 -0.75 4.63 4.86 2z9xA1 ASP 189 HB2 0.13 0.11 0.23 -0.04 2.71 3.15 2z9xA1 ASP 189 HB3 0.18 -0.05 0.09 -0.04 2.70 2.88 2z9xA1 ILE 190 H 0.01 0.53 0.39 -0.55 8.25 8.63 2z9xA1 ILE 190 HA -0.06 0.39 0.67 -0.75 4.18 4.43 2z9xA1 ILE 190 HB -0.05 -0.05 0.18 -0.04 1.89 1.92 2z9xA1 ILE 190 HG12 -0.18 0.08 0.13 -0.04 1.49 1.49 2z9xA1 ILE 190 HG13 -0.08 -0.07 -0.27 -0.04 1.21 0.75 2z9xA1 ILE 190 HG23 -0.08 -0.01 -0.14 -0.04 0.93 0.65 2z9xA1 ILE 190 HD13 -0.13 0.02 -0.03 -0.04 0.88 0.70 2z9xA1 TYR 191 H 0.04 0.71 0.21 -0.55 8.29 8.70 2z9xA1 TYR 191 HA -0.08 0.14 0.97 -0.75 4.56 4.83 2z9xA1 TYR 191 HB2 -0.07 0.01 -0.10 -0.04 3.06 2.86 2z9xA1 TYR 191 HB3 -0.10 -0.07 0.21 -0.04 2.98 2.98 2z9xA1 TYR 191 HD2 -0.13 0.01 -0.16 -0.04 7.15 6.83 2z9xA1 TYR 191 HE2 -0.19 0.02 -0.21 -0.04 6.85 6.43 2z9xA1 VAL 192 H -0.28 0.66 0.37 -0.55 8.24 8.44 2z9xA1 VAL 192 HA -0.10 0.26 0.91 -0.75 4.13 4.45 2z9xA1 VAL 192 HB -0.12 -0.10 0.22 -0.04 2.12 2.08 2z9xA1 VAL 192 HG13 -0.07 -0.01 -0.07 -0.04 0.97 0.77 2z9xA1 VAL 192 HG23 -0.07 0.03 -0.23 -0.04 0.95 0.64 2z9xA1 THR 193 H -0.10 0.81 0.43 -0.55 8.28 8.86 2z9xA1 THR 193 HA -0.10 -0.06 0.46 -0.75 4.39 3.94 2z9xA1 THR 193 HB -0.11 -0.06 -0.22 -0.04 4.32 3.89 2z9xA1 THR 193 HG23 -0.24 0.04 -0.07 -0.04 1.22 0.90 2z9xA1 GLY 194 H -0.01 0.39 0.32 -0.55 8.43 8.59 2z9xA1 GLY 194 HA2 -0.05 0.10 0.55 -0.51 4.01 4.10 2z9xA1 GLY 194 HA3 -0.04 0.05 0.48 -0.51 4.01 3.99 2z9xA1 PRO 195 HA 0.03 0.17 0.64 -0.51 4.44 4.77 2z9xA1 PRO 195 HB2 0.03 0.02 -0.06 -0.04 2.28 2.22 2z9xA1 PRO 195 HB3 0.01 0.05 -0.03 -0.04 2.02 2.01 2z9xA1 PRO 195 HG2 -0.00 0.27 -0.12 -0.04 2.03 2.13 2z9xA1 PRO 195 HG3 -0.01 0.04 -0.05 -0.04 2.03 1.97 2z9xA1 PRO 195 HD2 -0.02 0.05 0.25 -0.04 3.68 3.92 2z9xA1 PRO 195 HD3 -0.04 0.14 0.06 -0.04 3.65 3.78 2z9xA1 ASN 196 H -0.00 0.05 -0.18 -0.55 8.53 7.85 2z9xA1 ASN 196 HA 0.00 0.41 0.81 -0.75 4.76 5.24 2z9xA1 ASN 196 HB2 -0.00 0.06 -0.48 -0.04 2.88 2.42 2z9xA1 ASN 196 HB3 -0.01 -0.13 0.03 -0.04 2.79 2.63 2z9xA1 ASN 196 HD21 -0.03 0.24 0.00 -0.04 7.03 7.21 2z9xA1 ASN 196 HD22 -0.01 0.71 0.04 -0.04 7.74 8.44 2z9xA1 LYS 197 H 0.01 0.05 -0.47 -0.55 8.42 7.45 2z9xA1 LYS 197 HA -0.00 0.24 0.59 -0.75 4.32 4.39 2z9xA1 LYS 197 HB2 0.01 0.11 0.18 -0.04 1.87 2.13 2z9xA1 LYS 197 HB3 0.02 0.08 0.10 -0.04 1.79 1.95 2z9xA1 LYS 197 HG2 -0.04 -0.04 -0.07 -0.04 1.46 1.26 2z9xA1 LYS 197 HG3 -0.03 0.11 -0.08 -0.04 1.46 1.42 2z9xA1 LYS 197 HD2 -0.02 -0.21 -0.87 -0.04 1.69 0.55 2z9xA1 LYS 197 HD3 -0.04 0.04 -0.20 -0.04 1.68 1.43 2z9xA1 LYS 197 HE2 -0.10 -0.02 -0.11 -0.04 2.99 2.72 2z9xA1 LYS 197 HE3 -0.05 0.05 -0.09 -0.04 2.99 2.85 2z9xA1 CYS 198 H 0.04 0.23 0.05 -0.55 8.50 8.26 2z9xA1 CYS 198 HA 0.23 -0.07 0.20 -0.75 4.58 4.19 2z9xA1 CYS 198 HB2 -0.05 0.25 -0.04 -0.04 2.97 3.09 2z9xA1 CYS 198 HB3 -0.10 0.10 -0.27 -0.04 2.97 2.65 2z9xA1 LEU 199 H 0.05 -0.03 -0.32 -0.55 8.37 7.53 2z9xA1 LEU 199 HA 0.12 0.17 0.55 -0.75 4.35 4.43 2z9xA1 LEU 199 HB2 0.05 -0.01 0.12 -0.04 1.64 1.75 2z9xA1 LEU 199 HB3 0.05 -0.02 0.05 -0.04 1.64 1.68 2z9xA1 LEU 199 HG -0.04 0.01 -0.04 -0.04 1.64 1.53 2z9xA1 LEU 199 HD13 0.13 -0.00 -0.09 -0.04 0.93 0.93 2z9xA1 LEU 199 HD23 -0.48 0.02 -0.03 -0.04 0.89 0.37 2z9xA1 GLY 200 H 0.04 0.23 -0.30 -0.55 8.43 7.85 2z9xA1 GLY 200 HA2 -0.10 0.17 0.27 -0.51 4.01 3.84 2z9xA1 GLY 200 HA3 -0.16 -0.04 0.36 -0.51 4.01 3.66 2z9xA1 ALA 201 H 0.05 0.59 -0.02 -0.55 8.40 8.47 2z9xA1 ALA 201 HA 0.06 0.11 0.78 -0.75 4.34 4.54 2z9xA1 ALA 201 HB3 0.05 -0.02 -0.10 -0.04 1.41 1.30 2z9xA1 PRO 202 HA 0.00 0.14 0.36 -0.51 4.44 4.44 2z9xA1 PRO 202 HB2 0.02 0.14 -0.00 -0.04 2.28 2.39 2z9xA1 PRO 202 HB3 0.01 0.02 0.07 -0.04 2.02 2.08 2z9xA1 PRO 202 HG2 0.03 0.02 -0.01 -0.04 2.03 2.03 2z9xA1 PRO 202 HG3 0.03 0.04 0.01 -0.04 2.03 2.07 2z9xA1 PRO 202 HD2 0.03 0.06 0.06 -0.04 3.68 3.79 2z9xA1 PRO 202 HD3 0.04 0.10 0.12 -0.04 3.65 3.87 2z9xA1 PRO 203 HA -0.00 -0.01 0.51 -0.51 4.44 4.42 2z9xA1 PRO 203 HB2 0.00 0.03 -0.02 -0.04 2.28 2.25 2z9xA1 PRO 203 HB3 -0.00 -0.02 0.12 -0.04 2.02 2.08 2z9xA1 PRO 203 HG2 0.00 0.07 0.08 -0.04 2.03 2.14 2z9xA1 PRO 203 HG3 -0.01 0.03 0.12 -0.04 2.03 2.14 2z9xA1 PRO 203 HD2 0.01 0.12 0.19 -0.04 3.68 3.95 2z9xA1 PRO 203 HD3 -0.00 0.14 0.23 -0.04 3.65 3.98 2z9xA1 GLY 204 H -0.01 0.03 0.22 -0.55 8.43 8.13 2z9xA1 GLY 204 HA2 0.01 -0.07 0.16 -0.51 4.01 3.60 2z9xA1 GLY 204 HA3 0.02 0.25 0.82 -0.51 4.01 4.59 2z9xA1 LEU 205 H -0.03 0.05 0.14 -0.55 8.37 7.98 2z9xA1 LEU 205 HA -0.12 0.30 1.00 -0.75 4.35 4.78 2z9xA1 LEU 205 HB2 -0.07 -0.07 -0.03 -0.04 1.64 1.43 2z9xA1 LEU 205 HB3 -0.17 0.10 0.04 -0.04 1.64 1.57 2z9xA1 LEU 205 HG -0.02 -0.07 -0.38 -0.04 1.64 1.13 2z9xA1 LEU 205 HD13 -0.05 -0.00 -0.26 -0.04 0.93 0.58 2z9xA1 LEU 205 HD23 -0.17 0.05 -0.10 -0.04 0.89 0.63 2z9xA1 THR 206 H -0.19 0.64 0.40 -0.55 8.28 8.58 2z9xA1 THR 206 HA -0.09 0.15 1.05 -0.75 4.39 4.75 2z9xA1 THR 206 HB -0.14 -0.07 0.12 -0.04 4.32 4.19 2z9xA1 THR 206 HG23 -0.09 0.00 -0.10 -0.04 1.22 0.99 2z9xA1 MET 207 H -0.09 0.61 0.21 -0.55 8.47 8.65 2z9xA1 MET 207 HA -0.09 0.25 0.90 -0.75 4.52 4.83 2z9xA1 MET 207 HB2 -0.12 -0.11 -0.05 -0.04 2.15 1.84 2z9xA1 MET 207 HB3 -0.11 0.06 -0.08 -0.04 2.03 1.86 2z9xA1 MET 207 HG2 -0.08 0.07 -0.15 -0.04 2.63 2.43 2z9xA1 MET 207 HG3 -0.08 -0.11 -0.42 -0.04 2.56 1.91 2z9xA1 MET 207 HE3 -0.03 0.02 -0.09 -0.04 2.10 1.95 2z9xA1 MET 208 H -0.05 0.62 0.19 -0.55 8.47 8.69 2z9xA1 MET 208 HA -0.04 0.33 1.16 -0.75 4.52 5.21 2z9xA1 MET 208 HB2 -0.08 -0.09 -0.15 -0.04 2.15 1.79 2z9xA1 MET 208 HB3 -0.06 0.07 0.09 -0.04 2.03 2.10 2z9xA1 MET 208 HG2 -0.10 0.03 -0.45 -0.04 2.63 2.07 2z9xA1 MET 208 HG3 -0.08 -0.05 -0.15 -0.04 2.56 2.24 2z9xA1 MET 208 HE3 -0.09 -0.02 -0.09 -0.04 2.10 1.87 2z9xA1 GLY 209 H 0.04 0.57 0.34 -0.55 8.43 8.83 2z9xA1 GLY 209 HA2 -0.03 0.14 0.80 -0.51 4.01 4.41 2z9xA1 GLY 209 HA3 -0.04 -0.03 0.33 -0.51 4.01 3.76 2z9xA1 VAL 210 H -0.02 0.31 0.09 -0.55 8.24 8.07 2z9xA1 VAL 210 HA -0.19 0.34 0.98 -0.75 4.13 4.51 2z9xA1 VAL 210 HB -0.42 0.03 0.07 -0.04 2.12 1.76 2z9xA1 VAL 210 HG13 -1.14 0.04 -0.11 -0.04 0.97 -0.28 2z9xA1 VAL 210 HG23 -0.37 0.00 -0.25 -0.04 0.95 0.30 2z9xA1 SER 211 H -0.07 0.61 0.28 -0.55 8.46 8.73 2z9xA1 SER 211 HA 0.05 0.08 0.51 -0.75 4.49 4.37 2z9xA1 SER 211 HB2 0.04 -0.02 0.17 -0.04 3.95 4.09 2z9xA1 SER 211 HB3 0.01 0.27 0.25 -0.04 3.93 4.43 2z9xA1 GLU 212 H 0.12 0.18 0.19 -0.55 8.60 8.54 2z9xA1 GLU 212 HA 0.38 0.13 0.46 -0.75 4.29 4.51 2z9xA1 GLU 212 HB2 0.10 -0.01 0.14 -0.04 2.09 2.28 2z9xA1 GLU 212 HB3 0.12 0.06 0.06 -0.04 1.99 2.19 2z9xA1 GLU 212 HG2 0.13 -0.04 0.09 -0.04 2.34 2.47 2z9xA1 GLU 212 HG3 0.07 0.05 0.05 -0.04 2.34 2.47 2z9xA1 ARG 213 H 0.10 0.07 -0.14 -0.55 8.46 7.94 2z9xA1 ARG 213 HA 0.14 0.12 0.49 -0.75 4.34 4.34 2z9xA1 ARG 213 HB2 0.05 0.03 0.08 -0.04 1.90 2.01 2z9xA1 ARG 213 HB3 0.08 -0.05 0.05 -0.04 1.80 1.83 2z9xA1 ARG 213 HG2 0.20 0.02 -0.18 -0.04 1.67 1.68 2z9xA1 ARG 213 HG3 0.18 -0.00 0.04 -0.04 1.67 1.84 2z9xA1 ARG 213 HD2 -0.07 0.06 -0.02 -0.04 3.22 3.15 2z9xA1 ARG 213 HD3 -0.04 -0.04 -0.00 -0.04 3.22 3.09 2z9xA1 ALA 214 H 0.11 0.04 -0.24 -0.55 8.40 7.76 2z9xA1 ALA 214 HA 0.07 0.11 0.49 -0.75 4.34 4.24 2z9xA1 ALA 214 HB3 -0.08 0.00 0.08 -0.04 1.41 1.37 2z9xA1 TRP 215 H 0.13 0.51 -0.16 -0.55 7.97 7.91 2z9xA1 TRP 215 HA 0.04 0.00 0.41 -0.75 4.62 4.32 2z9xA1 TRP 215 HB2 0.05 0.10 0.15 -0.04 3.23 3.49 2z9xA1 TRP 215 HB3 0.05 -0.01 -0.05 -0.04 3.23 3.17 2z9xA1 TRP 215 HD1 0.03 -0.05 -0.21 -0.04 7.22 6.95 2z9xA1 TRP 215 HE1 0.04 0.06 -0.02 -0.04 10.20 10.24 2z9xA1 TRP 215 HE3 0.05 -0.01 0.04 -0.04 7.59 7.63 2z9xA1 TRP 215 HZ2 0.11 0.05 -0.07 -0.04 7.44 7.49 2z9xA1 TRP 215 HZ3 0.08 -0.08 -0.10 -0.04 7.13 7.00 2z9xA1 TRP 215 HH2 0.15 0.06 -0.17 -0.04 7.19 7.18 2z9xA1 ALA 216 H 0.24 0.38 -0.26 -0.55 8.40 8.21 2z9xA1 ALA 216 HA 0.15 0.02 0.40 -0.75 4.34 4.16 2z9xA1 ALA 216 HB3 0.12 0.02 0.10 -0.04 1.41 1.61 2z9xA1 LYS 217 H 0.11 0.46 -0.09 -0.55 8.42 8.34 2z9xA1 LYS 217 HA 0.03 0.02 0.38 -0.75 4.32 3.99 2z9xA1 LYS 217 HB2 -0.06 0.02 0.16 -0.04 1.87 1.95 2z9xA1 LYS 217 HB3 -0.17 0.04 0.14 -0.04 1.79 1.75 2z9xA1 LYS 217 HG2 -0.15 0.04 -0.04 -0.04 1.46 1.27 2z9xA1 LYS 217 HG3 -0.13 -0.04 0.05 -0.04 1.46 1.30 2z9xA1 LYS 217 HD2 -1.59 -0.09 0.03 -0.04 1.69 0.00 2z9xA1 LYS 217 HD3 -0.50 0.04 0.06 -0.04 1.68 1.24 2z9xA1 LYS 217 HE2 -0.23 -0.05 0.03 -0.04 2.99 2.70 2z9xA1 LYS 217 HE3 -0.41 -0.02 0.06 -0.04 2.99 2.57 2z9xA1 MET 218 H 0.03 0.51 -0.17 -0.55 8.47 8.29 2z9xA1 MET 218 HA -0.02 0.23 0.43 -0.75 4.52 4.41 2z9xA1 MET 218 HB2 0.07 0.01 0.12 -0.04 2.15 2.32 2z9xA1 MET 218 HB3 0.03 -0.10 0.02 -0.04 2.03 1.93 2z9xA1 MET 218 HG2 -0.10 0.18 -0.30 -0.04 2.63 2.37 2z9xA1 MET 218 HG3 -0.12 0.14 -0.01 -0.04 2.56 2.53 2z9xA1 MET 218 HE3 -0.59 -0.01 -0.22 -0.04 2.10 1.24 2z9xA1 LYS 219 H 0.16 0.56 -0.06 -0.55 8.42 8.53 2z9xA1 LYS 219 HA 0.11 0.01 0.34 -0.75 4.32 4.02 2z9xA1 LYS 219 HB2 0.13 0.08 0.14 -0.04 1.87 2.18 2z9xA1 LYS 219 HB3 0.08 -0.06 0.05 -0.04 1.79 1.83 2z9xA1 LYS 219 HG2 0.15 -0.06 0.04 -0.04 1.46 1.55 2z9xA1 LYS 219 HG3 0.33 -0.02 0.08 -0.04 1.46 1.80 2z9xA1 LYS 219 HD2 0.12 -0.09 -0.00 -0.04 1.69 1.68 2z9xA1 LYS 219 HD3 0.16 0.04 -0.09 -0.04 1.68 1.75 2z9xA1 LYS 219 HE2 0.03 0.02 -0.02 -0.04 2.99 2.99 2z9xA1 LYS 219 HE3 -0.01 -0.02 -0.00 -0.04 2.99 2.91 2z9xA1 ALA 220 H 0.06 0.38 -0.44 -0.55 8.40 7.85 2z9xA1 ALA 220 HA 0.04 0.01 0.51 -0.75 4.34 4.15 2z9xA1 ALA 220 HB3 0.04 -0.01 0.08 -0.04 1.41 1.49 2z9xA1 ASN 221 H 0.03 0.45 -0.38 -0.55 8.53 8.09 2z9xA1 ASN 221 HA 0.02 0.06 0.77 -0.75 4.76 4.85 2z9xA1 ASN 221 HB2 -0.01 0.08 0.10 -0.04 2.88 3.01 2z9xA1 ASN 221 HB3 -0.01 0.13 0.31 -0.04 2.79 3.19 2z9xA1 ASN 221 HD21 -0.04 0.10 -0.20 -0.04 7.03 6.85 2z9xA1 ASN 221 HD22 -0.06 0.37 -0.09 -0.04 7.74 7.93 2z9xA1 PRO 222 HA 0.03 0.15 0.43 -0.51 4.44 4.53 2z9xA1 PRO 222 HB2 0.02 -0.02 0.05 -0.04 2.28 2.30 2z9xA1 PRO 222 HB3 0.02 0.02 0.09 -0.04 2.02 2.11 2z9xA1 PRO 222 HG2 0.02 -0.01 0.07 -0.04 2.03 2.07 2z9xA1 PRO 222 HG3 0.02 0.01 0.10 -0.04 2.03 2.12 2z9xA1 PRO 222 HD2 0.02 0.01 0.29 -0.04 3.68 3.96 2z9xA1 PRO 222 HD3 0.02 0.41 0.31 -0.04 3.65 4.35 2z9xA1 LEU 223 H 0.02 0.06 -0.26 -0.55 8.37 7.65 2z9xA1 LEU 223 HA 0.03 0.12 0.72 -0.75 4.35 4.47 2z9xA1 LEU 223 HB2 0.03 0.08 0.02 -0.04 1.64 1.73 2z9xA1 LEU 223 HB3 0.06 -0.00 0.12 -0.04 1.64 1.78 2z9xA1 LEU 223 HG 0.03 -0.06 0.02 -0.04 1.64 1.59 2z9xA1 LEU 223 HD13 0.05 0.00 0.06 -0.04 0.93 1.00 2z9xA1 LEU 223 HD23 0.04 0.00 -0.08 -0.04 0.89 0.80 2z9xA1 ALA 224 H 0.00 0.30 -0.31 -0.55 8.40 7.85 2z9xA1 ALA 224 HA -0.07 0.21 0.44 -0.75 4.34 4.16 2z9xA1 ALA 224 HB3 -0.00 -0.00 0.16 -0.04 1.41 1.52 2z9xA1 PRO 225 HA 0.03 0.07 0.33 -0.51 4.44 4.35 2z9xA1 PRO 225 HB2 0.03 -0.09 -0.47 -0.04 2.28 1.70 2z9xA1 PRO 225 HB3 0.03 -0.12 -0.18 -0.04 2.02 1.71 2z9xA1 PRO 225 HG2 -0.08 0.00 -0.03 -0.04 2.03 1.87 2z9xA1 PRO 225 HG3 -0.03 0.09 0.01 -0.04 2.03 2.06 2z9xA1 PRO 225 HD2 -0.09 -0.02 -0.01 -0.04 3.68 3.52 2z9xA1 PRO 225 HD3 -0.13 0.45 0.05 -0.04 3.65 3.98 2z9xA1 ARG 226 H 0.05 0.33 0.13 -0.55 8.46 8.42 2z9xA1 ARG 226 HA 0.09 -0.04 0.63 -0.75 4.34 4.26 2z9xA1 ARG 226 HB2 0.04 0.08 0.02 -0.04 1.90 2.00 2z9xA1 ARG 226 HB3 0.04 -0.07 0.01 -0.04 1.80 1.74 2z9xA1 ARG 226 HG2 0.07 -0.15 -0.02 -0.04 1.67 1.52 2z9xA1 ARG 226 HG3 0.06 0.27 -0.50 -0.04 1.67 1.45 2z9xA1 ARG 226 HD2 0.04 0.10 -0.05 -0.04 3.22 3.26 2z9xA1 ARG 226 HD3 0.04 -0.10 -0.04 -0.04 3.22 3.08 2z9xA1 ALA 227 H 0.07 0.11 0.09 -0.55 8.40 8.13 2z9xA1 ALA 227 HA 0.08 0.01 0.31 -0.75 4.34 3.99 2z9xA1 ALA 227 HB3 0.04 0.05 0.10 -0.04 1.41 1.56 2z9xA1 SER 228 H 0.16 0.22 -0.09 -0.55 8.46 8.20 2z9xA1 SER 228 HA 0.06 0.18 0.65 -0.75 4.49 4.62 2z9xA1 SER 228 HB2 0.06 0.33 -0.41 -0.04 3.95 3.89 2z9xA1 SER 228 HB3 0.09 -0.07 -0.36 -0.04 3.93 3.54 2z9xA1 MET 229 H 0.02 0.22 0.08 -0.55 8.47 8.25 2z9xA1 MET 229 HA 0.23 0.13 0.50 -0.75 4.52 4.62 2z9xA1 MET 229 HB2 -0.14 0.00 0.08 -0.04 2.15 2.05 2z9xA1 MET 229 HB3 -0.02 0.00 0.03 -0.04 2.03 2.00 2z9xA1 MET 229 HG2 0.02 -0.03 -0.10 -0.04 2.63 2.49 2z9xA1 MET 229 HG3 0.12 0.00 0.08 -0.04 2.56 2.72 2z9xA1 MET 229 HE3 -0.72 0.02 -0.00 -0.04 2.10 1.35 2z9xA1 LEU 230 H 0.06 0.07 -0.39 -0.55 8.37 7.56 2z9xA1 LEU 230 HA 0.00 0.15 0.49 -0.75 4.35 4.24 2z9xA1 LEU 230 HB2 0.01 0.03 -0.07 -0.04 1.64 1.57 2z9xA1 LEU 230 HB3 -0.06 0.07 0.06 -0.04 1.64 1.67 2z9xA1 LEU 230 HG -0.00 -0.11 -0.08 -0.04 1.64 1.41 2z9xA1 LEU 230 HD13 -0.01 0.04 -0.06 -0.04 0.93 0.85 2z9xA1 LEU 230 HD23 -0.08 -0.00 -0.15 -0.04 0.89 0.62 2z9xA1 SER 231 H 0.20 0.34 -0.65 -0.55 8.46 7.80 2z9xA1 SER 231 HA 0.10 0.25 0.39 -0.75 4.49 4.48 2z9xA1 SER 231 HB2 0.16 -0.11 -0.29 -0.04 3.95 3.67 2z9xA1 SER 231 HB3 0.32 0.02 0.03 -0.04 3.93 4.25 2z9xA1 ILE 232 H 0.09 0.27 0.17 -0.55 8.25 8.24 2z9xA1 ILE 232 HA 0.19 0.14 0.71 -0.75 4.18 4.46 2z9xA1 ILE 232 HB -0.02 0.06 0.05 -0.04 1.89 1.94 2z9xA1 ILE 232 HG12 -0.05 -0.05 -0.13 -0.04 1.49 1.21 2z9xA1 ILE 232 HG13 -0.02 0.06 -0.20 -0.04 1.21 1.01 2z9xA1 ILE 232 HG23 -0.15 -0.00 -0.20 -0.04 0.93 0.54 2z9xA1 ILE 232 HD13 -0.13 0.01 -0.24 -0.04 0.88 0.49 2z9xA1 VAL 233 H 0.19 0.22 0.07 -0.55 8.24 8.17 2z9xA1 VAL 233 HA 0.68 0.07 0.25 -0.75 4.13 4.37 2z9xA1 VAL 233 HB 0.23 0.02 0.02 -0.04 2.12 2.35 2z9xA1 VAL 233 HG13 0.27 0.03 -0.08 -0.04 0.97 1.15 2z9xA1 VAL 233 HG23 0.12 0.04 -0.03 -0.04 0.95 1.05 2z9xA1 ASP 234 H 0.23 0.08 -0.36 -0.55 8.40 7.80 2z9xA1 ASP 234 HA 0.02 0.12 0.39 -0.75 4.63 4.40 2z9xA1 ASP 234 HB2 0.18 0.04 -0.04 -0.04 2.71 2.85 2z9xA1 ASP 234 HB3 -0.13 0.02 0.01 -0.04 2.70 2.57 2z9xA1 TRP 235 H 0.48 0.38 -0.53 -0.55 7.97 7.75 2z9xA1 TRP 235 HA 0.08 0.12 0.67 -0.75 4.62 4.73 2z9xA1 TRP 235 HB2 0.19 0.16 0.04 -0.04 3.23 3.58 2z9xA1 TRP 235 HB3 0.20 -0.04 0.12 -0.04 3.23 3.46 2z9xA1 TRP 235 HD1 0.12 0.16 -0.09 -0.04 7.22 7.36 2z9xA1 TRP 235 HE1 0.05 -0.03 -0.05 -0.04 10.20 10.13 2z9xA1 TRP 235 HE3 0.21 -0.04 0.08 -0.04 7.59 7.80 2z9xA1 TRP 235 HZ2 -1.98 -0.05 -0.07 -0.04 7.44 5.30 2z9xA1 TRP 235 HZ3 0.15 0.01 0.02 -0.04 7.13 7.28 2z9xA1 TRP 235 HH2 -0.67 0.09 -0.04 -0.04 7.19 6.52 2z9xA1 GLU 236 H 0.21 0.45 -0.39 -0.55 8.60 8.32 2z9xA1 GLU 236 HA 0.18 0.03 0.26 -0.75 4.29 4.00 2z9xA1 GLU 236 HB2 -0.19 0.10 0.15 -0.04 2.09 2.10 2z9xA1 GLU 236 HB3 -0.14 -0.01 0.07 -0.04 1.99 1.87 2z9xA1 GLU 236 HG2 -0.40 -0.03 -0.20 -0.04 2.34 1.67 2z9xA1 GLU 236 HG3 -1.65 -0.03 0.03 -0.04 2.34 0.65 2z9xA1 ASN 237 H -0.06 0.17 -0.24 -0.55 8.53 7.86 2z9xA1 ASN 237 HA -0.11 0.18 0.88 -0.75 4.76 4.96 2z9xA1 ASN 237 HB2 -0.22 0.07 -0.00 -0.04 2.88 2.69 2z9xA1 ASN 237 HB3 -0.33 -0.03 0.12 -0.04 2.79 2.51 2z9xA1 ASN 237 HD21 -0.08 0.01 -0.09 -0.04 7.03 6.83 2z9xA1 ASN 237 HD22 0.04 0.03 -0.05 -0.04 7.74 7.71 2z9xA1 ALA 238 H 0.03 0.31 -0.26 -0.55 8.40 7.94 2z9xA1 ALA 238 HA -0.39 0.23 0.30 -0.75 4.34 3.73 2z9xA1 ALA 238 HB3 0.04 0.01 0.14 -0.04 1.41 1.56 2z9xA1 TRP 239 H 0.19 0.14 -0.40 -0.55 7.97 7.36 2z9xA1 TRP 239 HA 0.43 0.03 0.34 -0.75 4.62 4.67 2z9xA1 TRP 239 HB2 0.11 -0.06 0.06 -0.04 3.23 3.31 2z9xA1 TRP 239 HB3 0.18 0.05 0.08 -0.04 3.23 3.49 2z9xA1 TRP 239 HD1 0.08 0.17 0.00 -0.04 7.22 7.44 2z9xA1 TRP 239 HE1 -0.05 0.06 0.11 -0.04 10.20 10.28 2z9xA1 TRP 239 HE3 0.03 -0.04 -0.32 -0.04 7.59 7.23 2z9xA1 TRP 239 HZ2 -0.04 0.01 0.01 -0.04 7.44 7.39 2z9xA1 TRP 239 HZ3 -0.00 -0.05 -0.03 -0.04 7.13 7.00 2z9xA1 TRP 239 HH2 -0.02 -0.01 -0.01 -0.04 7.19 7.12 2z9xA1 SER 240 H -1.15 0.40 -0.32 -0.55 8.46 6.84 2z9xA1 SER 240 HA -0.49 -0.00 0.45 -0.75 4.49 3.69 2z9xA1 SER 240 HB2 -2.19 0.00 0.07 -0.04 3.95 1.80 2z9xA1 SER 240 HB3 -0.91 0.20 0.11 -0.04 3.93 3.28 2z9xA1 ARG 241 H -0.10 0.10 0.20 -0.55 8.46 8.10 2z9xA1 ARG 241 HA -0.12 0.15 0.32 -0.75 4.34 3.94 2z9xA1 ARG 241 HB2 -0.02 -0.05 -0.07 -0.04 1.90 1.72 2z9xA1 ARG 241 HB3 0.00 0.02 0.05 -0.04 1.80 1.83 2z9xA1 ARG 241 HG2 -0.05 -0.08 0.01 -0.04 1.67 1.51 2z9xA1 ARG 241 HG3 -0.05 0.05 -0.31 -0.04 1.67 1.32 2z9xA1 ARG 241 HD2 0.00 0.01 -0.04 -0.04 3.22 3.15 2z9xA1 ARG 241 HD3 0.01 -0.02 -0.02 -0.04 3.22 3.15 2z9xA1 ASP 242 H -0.24 -0.02 -0.48 -0.55 8.40 7.11 2z9xA1 ASP 242 HA -0.11 0.16 0.73 -0.75 4.63 4.65 2z9xA1 ASP 242 HB2 -0.18 -0.02 -0.02 -0.04 2.71 2.46 2z9xA1 ASP 242 HB3 -0.12 0.01 0.12 -0.04 2.70 2.68 2z9xA1 LYS 243 H -0.34 0.57 -0.20 -0.55 8.42 7.89 2z9xA1 LYS 243 HA -0.23 0.14 0.89 -0.75 4.32 4.36 2z9xA1 LYS 243 HB2 -0.49 0.16 0.06 -0.04 1.87 1.55 2z9xA1 LYS 243 HB3 -0.36 0.01 -0.04 -0.04 1.79 1.36 2z9xA1 LYS 243 HG2 -0.37 -0.20 -0.32 -0.04 1.46 0.53 2z9xA1 LYS 243 HG3 -0.46 0.05 0.00 -0.04 1.46 1.01 2z9xA1 LYS 243 HD2 -0.23 -0.02 -0.01 -0.04 1.69 1.38 2z9xA1 LYS 243 HD3 -0.21 0.11 0.02 -0.04 1.68 1.57 2z9xA1 LYS 243 HE2 -0.17 -0.00 -0.06 -0.04 2.99 2.71 2z9xA1 LYS 243 HE3 -0.22 -0.04 -0.04 -0.04 2.99 2.65 2z9xA1 PRO 244 HA -0.12 0.08 0.53 -0.51 4.44 4.42 2z9xA1 PRO 244 HB2 -0.04 0.08 -0.07 -0.04 2.28 2.22 2z9xA1 PRO 244 HB3 -0.02 -0.01 0.03 -0.04 2.02 1.99 2z9xA1 PRO 244 HG2 -0.21 0.02 -0.11 -0.04 2.03 1.70 2z9xA1 PRO 244 HG3 -0.13 0.02 -0.01 -0.04 2.03 1.87 2z9xA1 PRO 244 HD2 -0.23 0.07 0.16 -0.04 3.68 3.63 2z9xA1 PRO 244 HD3 -0.15 0.14 0.13 -0.04 3.65 3.73 2z9xA1 PHE 245 H -0.03 0.09 0.08 -0.55 8.34 7.93 2z9xA1 PHE 245 HA -0.66 0.21 0.86 -0.75 4.62 4.27 2z9xA1 PHE 245 HB2 -0.27 -0.12 0.01 -0.04 3.15 2.73 2z9xA1 PHE 245 HB3 -0.42 0.17 0.07 -0.04 3.06 2.84 2z9xA1 PHE 245 HD2 -0.53 -0.06 -0.01 -0.04 7.28 6.64 2z9xA1 PHE 245 HE2 -1.14 0.11 -0.04 -0.04 7.38 6.27 2z9xA1 PHE 245 HZ -0.31 -0.05 -0.04 -0.04 7.32 6.88 2z9xA1 PRO 246 HA -0.24 0.05 0.36 -0.51 4.44 4.10 2z9xA1 PRO 246 HB2 -0.69 -0.05 -0.01 -0.04 2.28 1.49 2z9xA1 PRO 246 HB3 -0.28 -0.04 -0.00 -0.04 2.02 1.65 2z9xA1 PRO 246 HG2 -2.06 -0.05 -0.25 -0.04 2.03 -0.36 2z9xA1 PRO 246 HG3 -0.69 0.19 -0.01 -0.04 2.03 1.49 2z9xA1 PRO 246 HD2 -2.87 0.06 0.19 -0.04 3.68 1.02 2z9xA1 PRO 246 HD3 -0.97 0.29 0.19 -0.04 3.65 3.11 2z9xA1 PHE 247 H -0.44 0.21 -0.13 -0.55 8.34 7.43 2z9xA1 PHE 247 HA 0.05 0.17 0.36 -0.75 4.62 4.45 2z9xA1 PHE 247 HB2 0.10 -0.07 0.11 -0.04 3.15 3.25 2z9xA1 PHE 247 HB3 0.10 0.07 -0.02 -0.04 3.06 3.18 2z9xA1 PHE 247 HD2 0.21 0.09 -0.25 -0.04 7.28 7.28 2z9xA1 PHE 247 HE2 0.31 0.04 -0.04 -0.04 7.38 7.65 2z9xA1 PHE 247 HZ 0.12 -0.06 -0.00 -0.04 7.32 7.34 2z9xA1 THR 248 H 0.29 0.10 0.08 -0.55 8.28 8.20 2z9xA1 THR 248 HA -0.07 0.09 0.36 -0.75 4.39 4.02 2z9xA1 THR 248 HB 0.11 -0.02 0.13 -0.04 4.32 4.49 2z9xA1 THR 248 HG23 -0.07 0.04 -0.01 -0.04 1.22 1.14 2z9xA1 PRO 249 HA -0.75 0.09 0.46 -0.51 4.44 3.73 2z9xA1 PRO 249 HB2 -0.09 -0.03 -0.10 -0.04 2.28 2.02 2z9xA1 PRO 249 HB3 -0.67 0.10 0.07 -0.04 2.02 1.49 2z9xA1 PRO 249 HG2 -0.61 -0.07 0.03 -0.04 2.03 1.35 2z9xA1 PRO 249 HG3 -1.80 0.13 0.05 -0.04 2.03 0.37 2z9xA1 PRO 249 HD2 -0.54 -0.03 0.23 -0.04 3.68 3.31 2z9xA1 PRO 249 HD3 -0.84 0.27 0.22 -0.04 3.65 3.26 2z9xA1 SER 250 H 0.33 0.16 0.07 -0.55 8.46 8.47 2z9xA1 SER 250 HA 0.07 0.13 0.58 -0.75 4.49 4.51 2z9xA1 SER 250 HB2 0.23 -0.02 0.14 -0.04 3.95 4.26 2z9xA1 SER 250 HB3 0.11 -0.06 0.08 -0.04 3.93 4.03 2z9xA1 VAL 251 H -0.04 0.42 0.19 -0.55 8.24 8.25 2z9xA1 VAL 251 HA 0.13 0.04 0.13 -0.75 4.13 3.67 2z9xA1 VAL 251 HB -0.11 -0.02 0.13 -0.04 2.12 2.08 2z9xA1 VAL 251 HG13 -0.13 0.01 -0.10 -0.04 0.97 0.72 2z9xA1 VAL 251 HG23 -0.61 0.10 0.03 -0.04 0.95 0.43 2z9xA1 SER 252 H 0.04 0.11 -0.10 -0.55 8.46 7.96 2z9xA1 SER 252 HA 0.07 0.17 0.45 -0.75 4.49 4.43 2z9xA1 SER 252 HB2 0.04 -0.07 0.07 -0.04 3.95 3.95 2z9xA1 SER 252 HB3 0.05 0.15 0.10 -0.04 3.93 4.19 2z9xA1 GLU 253 H 0.08 0.10 -0.21 -0.55 8.60 8.02 2z9xA1 GLU 253 HA 0.05 0.06 0.46 -0.75 4.29 4.11 2z9xA1 GLU 253 HB2 0.08 0.09 -0.04 -0.04 2.09 2.18 2z9xA1 GLU 253 HB3 0.04 -0.02 -0.11 -0.04 1.99 1.85 2z9xA1 GLU 253 HG2 0.06 -0.09 -0.01 -0.04 2.34 2.26 2z9xA1 GLU 253 HG3 0.05 0.03 -0.08 -0.04 2.34 2.31 2z9xA1 ILE 254 H 0.16 0.51 -0.25 -0.55 8.25 8.12 2z9xA1 ILE 254 HA 0.06 -0.01 0.48 -0.75 4.18 3.95 2z9xA1 ILE 254 HB 0.35 0.15 0.05 -0.04 1.89 2.40 2z9xA1 ILE 254 HG12 0.31 0.05 -0.11 -0.04 1.49 1.69 2z9xA1 ILE 254 HG13 0.57 0.00 -0.12 -0.04 1.21 1.62 2z9xA1 ILE 254 HG23 0.04 -0.01 -0.16 -0.04 0.93 0.76 2z9xA1 ILE 254 HD13 -0.04 -0.00 -0.07 -0.04 0.88 0.73 2z9xA1 ASN 255 H 0.15 0.51 -0.16 -0.55 8.53 8.48 2z9xA1 ASN 255 HA 0.09 -0.03 0.47 -0.75 4.76 4.54 2z9xA1 ASN 255 HB2 0.09 0.19 0.20 -0.04 2.88 3.32 2z9xA1 ASN 255 HB3 0.08 0.15 -0.02 -0.04 2.79 2.95 2z9xA1 ASN 255 HD21 0.14 -0.06 -0.09 -0.04 7.03 6.98 2z9xA1 ASN 255 HD22 0.09 0.05 -0.06 -0.04 7.74 7.79 2z9xA1 GLY 256 H 0.07 0.48 -0.17 -0.55 8.43 8.26 2z9xA1 GLY 256 HA2 0.05 0.03 0.49 -0.51 4.01 4.07 2z9xA1 GLY 256 HA3 0.05 0.05 0.28 -0.51 4.01 3.88 2z9xA1 LEU 257 H 0.04 0.59 -0.16 -0.55 8.37 8.29 2z9xA1 LEU 257 HA 0.03 -0.01 0.45 -0.75 4.35 4.07 2z9xA1 LEU 257 HB2 0.00 0.03 0.06 -0.04 1.64 1.70 2z9xA1 LEU 257 HB3 -0.00 0.09 0.11 -0.04 1.64 1.80 2z9xA1 LEU 257 HG -0.01 0.00 -0.21 -0.04 1.64 1.38 2z9xA1 LEU 257 HD13 0.01 -0.02 -0.03 -0.04 0.93 0.84 2z9xA1 LEU 257 HD23 -0.07 -0.01 -0.11 -0.04 0.89 0.67 2z9xA1 ASP 258 H 0.02 0.69 -0.13 -0.55 8.40 8.43 2z9xA1 ASP 258 HA 0.01 -0.02 0.47 -0.75 4.63 4.33 2z9xA1 ASP 258 HB2 0.01 0.06 0.13 -0.04 2.71 2.87 2z9xA1 ASP 258 HB3 0.03 0.22 0.16 -0.04 2.70 3.07 2z9xA1 VAL 259 H 0.04 0.41 -0.23 -0.55 8.24 7.92 2z9xA1 VAL 259 HA 0.02 0.02 0.43 -0.75 4.13 3.85 2z9xA1 VAL 259 HB 0.05 0.12 0.18 -0.04 2.12 2.43 2z9xA1 VAL 259 HG13 0.03 -0.01 -0.28 -0.04 0.97 0.67 2z9xA1 VAL 259 HG23 0.04 0.04 0.08 -0.04 0.95 1.07 2z9xA1 ALA 260 H 0.06 0.58 -0.03 -0.55 8.40 8.46 2z9xA1 ALA 260 HA 0.07 -0.01 0.37 -0.75 4.34 4.02 2z9xA1 ALA 260 HB3 0.10 0.04 0.05 -0.04 1.41 1.55 2z9xA1 LEU 261 H 0.05 0.66 -0.16 -0.55 8.37 8.38 2z9xA1 LEU 261 HA 0.13 0.01 0.49 -0.75 4.35 4.22 2z9xA1 LEU 261 HB2 0.05 0.11 0.12 -0.04 1.64 1.87 2z9xA1 LEU 261 HB3 0.09 -0.04 -0.04 -0.04 1.64 1.61 2z9xA1 LEU 261 HG 0.04 0.08 0.03 -0.04 1.64 1.76 2z9xA1 LEU 261 HD13 0.01 -0.04 -0.11 -0.04 0.93 0.75 2z9xA1 LEU 261 HD23 0.09 -0.01 -0.07 -0.04 0.89 0.86 2z9xA1 ASP 262 H 0.04 0.50 -0.12 -0.55 8.40 8.27 2z9xA1 ASP 262 HA 0.02 -0.01 0.47 -0.75 4.63 4.36 2z9xA1 ASP 262 HB2 0.01 0.18 0.24 -0.04 2.71 3.10 2z9xA1 ASP 262 HB3 -0.00 -0.05 -0.00 -0.04 2.70 2.60 2z9xA1 LEU 263 H 0.00 0.56 -0.10 -0.55 8.37 8.29 2z9xA1 LEU 263 HA -0.07 -0.00 0.37 -0.75 4.35 3.89 2z9xA1 LEU 263 HB2 -0.14 0.17 0.15 -0.04 1.64 1.79 2z9xA1 LEU 263 HB3 -0.29 -0.04 0.04 -0.04 1.64 1.30 2z9xA1 LEU 263 HG -0.06 0.28 0.04 -0.04 1.64 1.86 2z9xA1 LEU 263 HD13 -0.28 -0.04 -0.01 -0.04 0.93 0.56 2z9xA1 LEU 263 HD23 -0.10 -0.03 -0.01 -0.04 0.89 0.71 2z9xA1 TYR 264 H 0.14 0.52 -0.11 -0.55 8.29 8.29 2z9xA1 TYR 264 HA -0.05 0.03 0.41 -0.75 4.56 4.20 2z9xA1 TYR 264 HB2 0.04 0.07 0.17 -0.04 3.06 3.30 2z9xA1 TYR 264 HB3 0.03 0.07 0.23 -0.04 2.98 3.27 2z9xA1 TYR 264 HD2 0.05 0.04 0.04 -0.04 7.15 7.24 2z9xA1 TYR 264 HE2 0.09 0.17 0.10 -0.04 6.85 7.17 2z9xA1 LEU 265 H 0.09 0.65 0.00 -0.55 8.37 8.57 2z9xA1 LEU 265 HA -0.17 -0.02 0.44 -0.75 4.35 3.84 2z9xA1 LEU 265 HB2 0.01 0.07 0.14 -0.04 1.64 1.82 2z9xA1 LEU 265 HB3 -0.02 -0.04 0.04 -0.04 1.64 1.58 2z9xA1 LEU 265 HG 0.16 0.13 0.13 -0.04 1.64 2.02 2z9xA1 LEU 265 HD13 0.06 -0.00 0.00 -0.04 0.93 0.95 2z9xA1 LEU 265 HD23 0.07 -0.03 -0.01 -0.04 0.89 0.88 2z9xA1 ASN 266 H -0.05 0.61 -0.14 -0.55 8.53 8.40 2z9xA1 ASN 266 HA -0.07 0.02 0.51 -0.75 4.76 4.47 2z9xA1 ASN 266 HB2 -0.05 0.08 0.14 -0.04 2.88 3.01 2z9xA1 ASN 266 HB3 -0.05 -0.06 0.00 -0.04 2.79 2.64 2z9xA1 ASN 266 HD21 -0.02 -0.08 -0.01 -0.04 7.03 6.88 2z9xA1 ASN 266 HD22 -0.03 -0.04 -0.07 -0.04 7.74 7.56 2z9xA1 GLU 267 H -0.11 0.56 -0.12 -0.55 8.60 8.39 2z9xA1 GLU 267 HA -0.09 0.00 0.45 -0.75 4.29 3.89 2z9xA1 GLU 267 HB2 -0.09 -0.02 0.12 -0.04 2.09 2.05 2z9xA1 GLU 267 HB3 -0.13 0.05 0.10 -0.04 1.99 1.98 2z9xA1 GLU 267 HG2 -0.11 -0.01 -0.20 -0.04 2.34 1.97 2z9xA1 GLU 267 HG3 -0.07 -0.04 0.06 -0.04 2.34 2.25 2z9xA1 GLY 268 H -0.26 0.43 -0.28 -0.55 8.43 7.77 2z9xA1 GLY 268 HA2 -0.28 0.12 0.38 -0.51 4.01 3.72 2z9xA1 GLY 268 HA3 -0.24 0.09 0.79 -0.51 4.01 4.14 2z9xA1 PRO 269 HA -1.09 0.12 0.47 -0.51 4.44 3.43 2z9xA1 PRO 269 HB2 -0.86 -0.05 0.10 -0.04 2.28 1.43 2z9xA1 PRO 269 HB3 -0.52 0.05 0.09 -0.04 2.02 1.60 2z9xA1 PRO 269 HG2 -0.26 0.09 0.11 -0.04 2.03 1.92 2z9xA1 PRO 269 HG3 -1.01 0.06 0.04 -0.04 2.03 1.09 2z9xA1 PRO 269 HD2 -0.37 0.07 0.23 -0.04 3.68 3.57 2z9xA1 PRO 269 HD3 -0.43 0.27 0.26 -0.04 3.65 3.71 2z9xA1 GLU 270 H -0.78 0.16 -0.11 -0.55 8.60 7.33 2z9xA1 GLU 270 HA -0.87 0.00 0.43 -0.75 4.29 3.10 2z9xA1 GLU 270 HB2 -0.29 0.00 0.07 -0.04 2.09 1.83 2z9xA1 GLU 270 HB3 -0.15 0.00 -0.01 -0.04 1.99 1.78 2z9xA1 GLU 270 HG2 -0.06 0.00 0.03 -0.04 2.34 2.27 2z9xA1 GLU 270 HG3 -0.19 -0.03 0.04 -0.04 2.34 2.11 2z9xA1 ALA 271 H -0.33 0.21 -0.27 -0.55 8.40 7.47 2z9xA1 ALA 271 HA -0.09 0.03 0.47 -0.75 4.34 4.00 2z9xA1 ALA 271 HB3 -0.12 0.07 0.05 -0.04 1.41 1.37 2z9xA1 VAL 272 H -0.32 0.49 -0.12 -0.55 8.24 7.75 2z9xA1 VAL 272 HA 0.09 0.05 0.55 -0.75 4.13 4.06 2z9xA1 VAL 272 HB -0.17 0.05 0.19 -0.04 2.12 2.14 2z9xA1 VAL 272 HG13 0.39 -0.01 0.02 -0.04 0.97 1.34 2z9xA1 VAL 272 HG23 -0.07 0.04 -0.01 -0.04 0.95 0.86 2z9xA1 TRP 273 H -0.37 0.60 -0.07 -0.55 7.97 7.58 2z9xA1 TRP 273 HA 0.01 0.13 0.21 -0.75 4.62 4.21 2z9xA1 TRP 273 HB2 0.01 0.06 0.02 -0.04 3.23 3.28 2z9xA1 TRP 273 HB3 -0.01 -0.09 -0.07 -0.04 3.23 3.02 2z9xA1 TRP 273 HD1 -0.07 0.11 -0.52 -0.04 7.22 6.70 2z9xA1 TRP 273 HE1 0.04 -0.06 -0.10 -0.04 10.20 10.04 2z9xA1 TRP 273 HE3 0.01 0.06 -0.04 -0.04 7.59 7.58 2z9xA1 TRP 273 HZ2 0.17 0.09 -0.02 -0.04 7.44 7.64 2z9xA1 TRP 273 HZ3 0.05 0.03 -0.03 -0.04 7.13 7.14 2z9xA1 TRP 273 HH2 0.23 0.04 -0.04 -0.04 7.19 7.38 2z9xA1 ALA 274 H 0.12 0.44 -0.26 -0.55 8.40 8.14 2z9xA1 ALA 274 HA 0.13 -0.02 0.40 -0.75 4.34 4.10 2z9xA1 ALA 274 HB3 0.05 0.04 0.12 -0.04 1.41 1.58 2z9xA1 ARG 275 H 0.11 0.46 -0.13 -0.55 8.46 8.35 2z9xA1 ARG 275 HA 0.04 -0.02 0.50 -0.75 4.34 4.11 2z9xA1 ARG 275 HB2 0.02 -0.02 0.12 -0.04 1.90 1.98 2z9xA1 ARG 275 HB3 0.03 -0.05 0.13 -0.04 1.80 1.87 2z9xA1 ARG 275 HG2 0.10 0.13 0.25 -0.04 1.67 2.11 2z9xA1 ARG 275 HG3 0.05 0.06 0.05 -0.04 1.67 1.80 2z9xA1 ARG 275 HD2 0.04 0.10 0.09 -0.04 3.22 3.40 2z9xA1 ARG 275 HD3 0.03 -0.09 0.05 -0.04 3.22 3.17 2z9xA1 HIS 276 H 0.32 0.45 -0.10 -0.55 8.41 8.54 2z9xA1 HIS 276 HA 0.08 -0.06 0.57 -0.75 4.63 4.47 2z9xA1 HIS 276 HB2 0.14 0.14 0.32 -0.04 3.26 3.82 2z9xA1 HIS 276 HB3 0.08 0.13 0.10 -0.04 3.20 3.47 2z9xA1 HIS 276 HD2 0.09 0.28 0.25 -0.04 6.97 7.54 2z9xA1 HIS 276 HE1 0.19 0.04 0.11 -0.04 7.75 8.04 2z9xA1 ALA 277 H 0.18 0.64 0.04 -0.55 8.40 8.70 2z9xA1 ALA 277 HA 0.05 -0.02 0.44 -0.75 4.34 4.06 2z9xA1 ALA 277 HB3 0.06 0.00 0.16 -0.04 1.41 1.59 2z9xA1 LEU 278 H 0.05 0.62 -0.12 -0.55 8.37 8.36 2z9xA1 LEU 278 HA -0.00 0.00 0.45 -0.75 4.35 4.05 2z9xA1 LEU 278 HB2 0.02 0.10 0.13 -0.04 1.64 1.84 2z9xA1 LEU 278 HB3 0.00 0.03 0.11 -0.04 1.64 1.74 2z9xA1 LEU 278 HG -0.02 -0.09 -0.15 -0.04 1.64 1.34 2z9xA1 LEU 278 HD13 -0.00 0.02 -0.01 -0.04 0.93 0.90 2z9xA1 LEU 278 HD23 -0.00 0.01 -0.00 -0.04 0.89 0.85 2z9xA1 THR 279 H -0.03 0.63 -0.15 -0.55 8.28 8.18 2z9xA1 THR 279 HA -0.09 -0.09 0.53 -0.75 4.39 3.98 2z9xA1 THR 279 HB -0.11 0.22 0.12 -0.04 4.32 4.50 2z9xA1 THR 279 HG23 -0.12 -0.02 -0.11 -0.04 1.22 0.93 2z9xA1 ALA 280 H -0.15 0.76 -0.08 -0.55 8.40 8.38 2z9xA1 ALA 280 HA -0.55 -0.04 0.39 -0.75 4.34 3.39 2z9xA1 ALA 280 HB3 0.02 0.06 0.01 -0.04 1.41 1.46 2z9xA1 LYS 281 H -0.05 0.72 -0.08 -0.55 8.42 8.45 2z9xA1 LYS 281 HA -0.02 -0.02 0.44 -0.75 4.32 3.97 2z9xA1 LYS 281 HB2 -0.01 0.10 0.13 -0.04 1.87 2.05 2z9xA1 LYS 281 HB3 -0.02 0.07 0.16 -0.04 1.79 1.96 2z9xA1 LYS 281 HG2 -0.01 -0.04 -0.15 -0.04 1.46 1.22 2z9xA1 LYS 281 HG3 -0.01 -0.06 0.04 -0.04 1.46 1.40 2z9xA1 LYS 281 HD2 0.00 -0.01 -0.02 -0.04 1.69 1.63 2z9xA1 LYS 281 HD3 -0.00 0.04 -0.03 -0.04 1.68 1.65 2z9xA1 LYS 281 HE2 -0.00 -0.00 -0.03 -0.04 2.99 2.92 2z9xA1 LYS 281 HE3 -0.00 -0.05 -0.02 -0.04 2.99 2.89 2z9xA1 ALA 282 H -0.06 0.67 -0.11 -0.55 8.40 8.35 2z9xA1 ALA 282 HA -0.02 0.01 0.56 -0.75 4.34 4.13 2z9xA1 ALA 282 HB3 -0.04 0.00 0.14 -0.04 1.41 1.48 2z9xA1 MET 283 H -0.11 0.60 -0.16 -0.55 8.47 8.25 2z9xA1 MET 283 HA -0.00 -0.02 0.40 -0.75 4.52 4.14 2z9xA1 MET 283 HB2 -0.12 0.09 0.13 -0.04 2.15 2.21 2z9xA1 MET 283 HB3 -0.02 0.13 0.15 -0.04 2.03 2.25 2z9xA1 MET 283 HG2 0.24 -0.00 -0.05 -0.04 2.63 2.77 2z9xA1 MET 283 HG3 0.06 -0.07 -0.18 -0.04 2.56 2.32 2z9xA1 MET 283 HE3 -0.03 -0.03 -0.17 -0.04 2.10 1.83 2z9xA1 ARG 284 H -0.01 0.76 -0.05 -0.55 8.46 8.61 2z9xA1 ARG 284 HA 0.02 -0.06 0.40 -0.75 4.34 3.95 2z9xA1 ARG 284 HB2 0.00 0.14 0.18 -0.04 1.90 2.18 2z9xA1 ARG 284 HB3 0.01 -0.08 0.04 -0.04 1.80 1.73 2z9xA1 ARG 284 HG2 0.04 -0.11 0.06 -0.04 1.67 1.62 2z9xA1 ARG 284 HG3 0.03 0.23 0.06 -0.04 1.67 1.95 2z9xA1 ARG 284 HD2 0.03 -0.09 0.04 -0.04 3.22 3.16 2z9xA1 ARG 284 HD3 0.03 0.00 0.02 -0.04 3.22 3.23 2z9xA1 ALA 285 H -0.01 0.62 -0.15 -0.55 8.40 8.32 2z9xA1 ALA 285 HA 0.00 -0.03 0.40 -0.75 4.34 3.96 2z9xA1 ALA 285 HB3 -0.01 0.03 0.04 -0.04 1.41 1.44 2z9xA1 GLY 286 H -0.00 0.61 -0.18 -0.55 8.43 8.31 2z9xA1 GLY 286 HA2 0.00 0.07 0.51 -0.51 4.01 4.08 2z9xA1 GLY 286 HA3 0.00 0.05 0.30 -0.51 4.01 3.85 2z9xA1 VAL 287 H 0.01 0.67 -0.06 -0.55 8.24 8.31 2z9xA1 VAL 287 HA 0.00 -0.04 0.33 -0.75 4.13 3.67 2z9xA1 VAL 287 HB 0.01 0.14 0.11 -0.04 2.12 2.34 2z9xA1 VAL 287 HG13 0.02 -0.00 -0.41 -0.04 0.97 0.53 2z9xA1 VAL 287 HG23 -0.00 0.02 -0.09 -0.04 0.95 0.83 2z9xA1 THR 288 H 0.01 0.55 -0.18 -0.55 8.28 8.11 2z9xA1 THR 288 HA 0.01 0.32 0.43 -0.75 4.39 4.40 2z9xA1 THR 288 HB 0.01 0.09 0.17 -0.04 4.32 4.54 2z9xA1 THR 288 HG23 0.00 -0.02 -0.05 -0.04 1.22 1.12 2z9xA1 ALA 289 H 0.00 0.57 -0.06 -0.55 8.40 8.38 2z9xA1 ALA 289 HA 0.00 0.02 0.38 -0.75 4.34 3.99 2z9xA1 ALA 289 HB3 0.00 -0.01 0.03 -0.04 1.41 1.39 2z9xA1 MET 290 H 0.01 0.55 -0.21 -0.55 8.47 8.27 2z9xA1 MET 290 HA 0.01 0.11 0.71 -0.75 4.52 4.59 2z9xA1 MET 290 HB2 0.01 -0.22 -0.18 -0.04 2.15 1.71 2z9xA1 MET 290 HB3 0.00 -0.03 0.06 -0.04 2.03 2.02 2z9xA1 MET 290 HG2 0.01 0.24 0.09 -0.04 2.63 2.92 2z9xA1 MET 290 HG3 0.01 -0.04 -0.22 -0.04 2.56 2.27 2z9xA1 MET 290 HE3 0.00 0.02 -0.05 -0.04 2.10 2.04 2z9xA1 GLY 291 H 0.01 0.41 -0.33 -0.55 8.43 7.97 2z9xA1 GLY 291 HA2 0.01 0.07 0.27 -0.51 4.01 3.84 2z9xA1 GLY 291 HA3 0.01 0.06 0.82 -0.51 4.01 4.39 2z9xA1 LEU 292 H 0.01 0.44 0.14 -0.55 8.37 8.41 2z9xA1 LEU 292 HA 0.02 0.15 0.83 -0.75 4.35 4.61 2z9xA1 LEU 292 HB2 0.01 0.03 -0.01 -0.04 1.64 1.63 2z9xA1 LEU 292 HB3 0.02 -0.01 0.03 -0.04 1.64 1.65 2z9xA1 LEU 292 HG 0.01 -0.05 -0.24 -0.04 1.64 1.32 2z9xA1 LEU 292 HD13 0.00 -0.01 -0.12 -0.04 0.93 0.76 2z9xA1 LEU 292 HD23 0.02 0.03 -0.05 -0.04 0.89 0.85 2z9xA1 SER 293 H 0.04 0.22 0.11 -0.55 8.46 8.29 2z9xA1 SER 293 HA 0.03 0.17 0.91 -0.75 4.49 4.84 2z9xA1 SER 293 HB2 0.06 -0.06 0.04 -0.04 3.95 3.95 2z9xA1 SER 293 HB3 0.03 0.17 -0.05 -0.04 3.93 4.03 2z9xA1 VAL 294 H 0.04 0.15 0.07 -0.55 8.24 7.95 2z9xA1 VAL 294 HA 0.10 0.13 0.77 -0.75 4.13 4.38 2z9xA1 VAL 294 HB 0.04 0.03 0.08 -0.04 2.12 2.23 2z9xA1 VAL 294 HG13 0.09 -0.02 0.04 -0.04 0.97 1.03 2z9xA1 VAL 294 HG23 0.04 -0.00 0.05 -0.04 0.95 1.00 2z9xA1 TRP 295 H 0.29 0.64 0.28 -0.55 7.97 8.62 2z9xA1 TRP 295 HA 0.01 0.03 0.36 -0.75 4.62 4.27 2z9xA1 TRP 295 HB2 0.01 -0.09 -0.16 -0.04 3.23 2.95 2z9xA1 TRP 295 HB3 0.02 0.02 0.11 -0.04 3.23 3.33 2z9xA1 TRP 295 HD1 0.03 0.20 0.02 -0.04 7.22 7.43 2z9xA1 TRP 295 HE1 0.07 0.50 0.17 -0.04 10.20 10.90 2z9xA1 TRP 295 HE3 0.01 -0.02 -0.04 -0.04 7.59 7.50 2z9xA1 TRP 295 HZ2 0.08 -0.10 -0.15 -0.04 7.44 7.23 2z9xA1 TRP 295 HZ3 0.01 0.08 0.00 -0.04 7.13 7.19 2z9xA1 TRP 295 HH2 0.02 -0.01 -0.05 -0.04 7.19 7.11 2z9xA1 ALA 296 H 0.21 0.02 -0.05 -0.55 8.40 8.04 2z9xA1 ALA 296 HA 0.02 0.08 0.34 -0.75 4.34 4.02 2z9xA1 ALA 296 HB3 0.07 -0.01 -0.01 -0.04 1.41 1.42 2z9xA1 ALA 297 H -0.07 0.58 0.33 -0.55 8.40 8.70 2z9xA1 ALA 297 HA -0.12 0.12 0.39 -0.75 4.34 3.97 2z9xA1 ALA 297 HB3 -0.07 -0.05 0.07 -0.04 1.41 1.31 2z9xA1 SER 298 H -0.02 0.14 -0.13 -0.55 8.46 7.91 2z9xA1 SER 298 HA -0.02 0.23 0.60 -0.75 4.49 4.55 2z9xA1 SER 298 HB2 -0.01 -0.03 0.13 -0.04 3.95 4.00 2z9xA1 SER 298 HB3 -0.02 0.13 -0.09 -0.04 3.93 3.91 2z9xA1 ASP 299 H -0.00 0.22 0.12 -0.55 8.40 8.19 2z9xA1 ASP 299 HA 0.01 0.12 0.42 -0.75 4.63 4.42 2z9xA1 ASP 299 HB2 0.00 0.04 0.13 -0.04 2.71 2.84 2z9xA1 ASP 299 HB3 0.00 -0.00 0.08 -0.04 2.70 2.73 2z9xA1 SER 300 H -0.00 0.03 -0.25 -0.55 8.46 7.69 2z9xA1 SER 300 HA -0.00 0.14 0.26 -0.75 4.49 4.13 2z9xA1 SER 300 HB2 0.00 0.03 0.06 -0.04 3.95 4.01 2z9xA1 SER 300 HB3 0.00 0.00 0.07 -0.04 3.93 3.96 2z9xA1 ILE 301 H 0.00 0.18 -0.42 -0.55 8.25 7.47 2z9xA1 ILE 301 HA -0.00 0.24 0.90 -0.75 4.18 4.57 2z9xA1 ILE 301 HB 0.02 0.00 0.18 -0.04 1.89 2.05 2z9xA1 ILE 301 HG12 0.01 -0.04 0.05 -0.04 1.49 1.46 2z9xA1 ILE 301 HG13 0.02 0.10 -0.19 -0.04 1.21 1.11 2z9xA1 ILE 301 HG23 0.01 -0.03 -0.06 -0.04 0.93 0.81 2z9xA1 ILE 301 HD13 0.02 -0.01 -0.03 -0.04 0.88 0.82 2z9xA1 ALA 302 H 0.00 0.34 -0.23 -0.55 8.40 7.97 2z9xA1 ALA 302 HA 0.03 0.11 0.66 -0.75 4.34 4.38 2z9xA1 ALA 302 HB3 0.03 0.02 0.14 -0.04 1.41 1.55 2z9xA1 SER 303 H -0.03 0.58 0.32 -0.55 8.46 8.78 2z9xA1 SER 303 HA -0.21 0.10 0.40 -0.75 4.49 4.03 2z9xA1 SER 303 HB2 -0.58 -0.06 -0.25 -0.04 3.95 3.02 2z9xA1 SER 303 HB3 -0.22 0.24 0.16 -0.04 3.93 4.07 2z9xA1 PRO 304 HA 0.02 0.14 0.58 -0.51 4.44 4.67 2z9xA1 PRO 304 HB2 0.05 0.07 0.03 -0.04 2.28 2.38 2z9xA1 PRO 304 HB3 -0.01 0.02 0.13 -0.04 2.02 2.13 2z9xA1 PRO 304 HG2 -0.10 0.06 -0.09 -0.04 2.03 1.85 2z9xA1 PRO 304 HG3 -0.09 -0.02 0.06 -0.04 2.03 1.93 2z9xA1 PRO 304 HD2 -0.24 -0.03 0.15 -0.04 3.68 3.51 2z9xA1 PRO 304 HD3 -0.12 0.24 0.17 -0.04 3.65 3.89 2z9xA1 THR 305 H -0.12 -0.06 -0.40 -0.55 8.28 7.15 2z9xA1 THR 305 HA 0.23 0.45 1.03 -0.75 4.39 5.34 2z9xA1 THR 305 HB 0.15 -0.02 0.13 -0.04 4.32 4.53 2z9xA1 THR 305 HG23 -0.02 -0.01 -0.13 -0.04 1.22 1.02 2z9xA1 THR 306 H 0.04 0.29 -0.14 -0.55 8.28 7.93 2z9xA1 THR 306 HA -0.16 0.21 0.56 -0.75 4.39 4.25 2z9xA1 THR 306 HB 0.26 -0.14 -0.06 -0.04 4.32 4.34 2z9xA1 THR 306 HG23 -0.01 -0.01 -0.37 -0.04 1.22 0.79 2z9xA1 THR 307 H -0.15 0.67 0.22 -0.55 8.28 8.47 2z9xA1 THR 307 HA 0.08 0.19 1.04 -0.75 4.39 4.95 2z9xA1 THR 307 HB 0.14 -0.03 0.11 -0.04 4.32 4.50 2z9xA1 THR 307 HG23 0.06 -0.01 -0.19 -0.04 1.22 1.04 2z9xA1 ALA 308 H 0.08 0.21 0.18 -0.55 8.40 8.32 2z9xA1 ALA 308 HA -0.06 0.32 0.99 -0.75 4.34 4.85 2z9xA1 ALA 308 HB3 -0.04 -0.00 -0.12 -0.04 1.41 1.21 2z9xA1 VAL 309 H -0.06 0.75 0.33 -0.55 8.24 8.70 2z9xA1 VAL 309 HA 0.08 0.16 0.99 -0.75 4.13 4.60 2z9xA1 VAL 309 HB -0.07 -0.06 0.08 -0.04 2.12 2.04 2z9xA1 VAL 309 HG13 0.01 0.05 -0.19 -0.04 0.97 0.79 2z9xA1 VAL 309 HG23 -0.05 0.00 -0.22 -0.04 0.95 0.64 2z9xA1 ARG 310 H 0.18 0.57 0.21 -0.55 8.46 8.87 2z9xA1 ARG 310 HA 0.29 0.07 0.50 -0.75 4.34 4.45 2z9xA1 ARG 310 HB2 0.36 0.00 -0.01 -0.04 1.90 2.21 2z9xA1 ARG 310 HB3 0.16 -0.05 0.05 -0.04 1.80 1.92 2z9xA1 ARG 310 HG2 0.19 0.14 -0.22 -0.04 1.67 1.74 2z9xA1 ARG 310 HG3 0.51 0.02 0.07 -0.04 1.67 2.22 2z9xA1 ARG 310 HD2 0.07 -0.05 -0.07 -0.04 3.22 3.13 2z9xA1 ARG 310 HD3 0.08 -0.04 -0.03 -0.04 3.22 3.19 2z9xA1 THR 311 H 0.09 0.61 0.27 -0.55 8.28 8.70 2z9xA1 THR 311 HA 0.04 0.07 0.57 -0.75 4.39 4.31 2z9xA1 THR 311 HB 0.04 0.03 0.10 -0.04 4.32 4.45 2z9xA1 THR 311 HG23 0.02 0.02 -0.09 -0.04 1.22 1.14 2z9xA1 PRO 312 HA 0.04 0.04 0.48 -0.51 4.44 4.50 2z9xA1 PRO 312 HB2 0.03 0.04 -0.07 -0.04 2.28 2.24 2z9xA1 PRO 312 HB3 0.03 0.03 0.09 -0.04 2.02 2.13 2z9xA1 PRO 312 HG2 0.03 -0.01 0.04 -0.04 2.03 2.05 2z9xA1 PRO 312 HG3 0.03 0.08 0.08 -0.04 2.03 2.18 2z9xA1 PRO 312 HD2 0.03 0.01 0.16 -0.04 3.68 3.84 2z9xA1 PRO 312 HD3 0.04 0.32 0.30 -0.04 3.65 4.27 2z9xA1 ASP 313 H 0.03 0.08 0.15 -0.55 8.40 8.12 2z9xA1 ASP 313 HA 0.03 0.00 0.50 -0.75 4.63 4.41 2z9xA1 ASP 313 HB2 0.02 0.01 0.10 -0.04 2.71 2.80 2z9xA1 ASP 313 HB3 0.02 0.00 0.05 -0.04 2.70 2.72 2z9xA1 GLY 314 H 0.02 0.15 0.17 -0.55 8.43 8.22 2z9xA1 GLY 314 HA2 0.02 -0.02 0.31 -0.51 4.01 3.80 2z9xA1 GLY 314 HA3 0.02 0.12 0.41 -0.51 4.01 4.04 2z9xA1 VAL 315 H 0.02 0.39 -0.33 -0.55 8.24 7.78 2z9xA1 VAL 315 HA 0.02 0.18 0.85 -0.75 4.13 4.42 2z9xA1 VAL 315 HB 0.03 0.10 -0.00 -0.04 2.12 2.21 2z9xA1 VAL 315 HG13 0.03 -0.03 -0.20 -0.04 0.97 0.73 2z9xA1 VAL 315 HG23 0.03 0.03 -0.16 -0.04 0.95 0.80 2z9xA1 ASP 316 H 0.02 0.24 0.08 -0.55 8.40 8.20 2z9xA1 ASP 316 HA 0.01 0.10 0.69 -0.75 4.63 4.69 2z9xA1 ASP 316 HB2 0.01 0.13 0.10 -0.04 2.71 2.91 2z9xA1 ASP 316 HB3 0.01 0.03 0.20 -0.04 2.70 2.90 2z9xA1 GLU 317 H 0.01 0.29 0.18 -0.55 8.60 8.53 2z9xA1 GLU 317 HA 0.01 0.13 0.22 -0.75 4.29 3.90 2z9xA1 GLU 317 HB2 -0.01 0.27 0.04 -0.04 2.09 2.35 2z9xA1 GLU 317 HB3 -0.01 -0.12 0.07 -0.04 1.99 1.89 2z9xA1 GLU 317 HG2 -0.01 0.02 -0.11 -0.04 2.34 2.20 2z9xA1 GLU 317 HG3 -0.04 0.04 -0.29 -0.04 2.34 2.01 2z9xA1 LYS 318 H 0.00 0.11 -0.04 -0.55 8.42 7.94 2z9xA1 LYS 318 HA 0.01 0.10 0.54 -0.75 4.32 4.21 2z9xA1 LYS 318 HB2 -0.00 0.01 0.11 -0.04 1.87 1.95 2z9xA1 LYS 318 HB3 0.00 -0.01 0.07 -0.04 1.79 1.80 2z9xA1 LYS 318 HG2 0.00 0.03 -0.23 -0.04 1.46 1.22 2z9xA1 LYS 318 HG3 -0.00 0.01 0.04 -0.04 1.46 1.46 2z9xA1 LYS 318 HD2 -0.01 -0.01 0.00 -0.04 1.69 1.64 2z9xA1 LYS 318 HD3 -0.00 0.02 -0.03 -0.04 1.68 1.62 2z9xA1 LYS 318 HE2 -0.00 0.02 -0.04 -0.04 2.99 2.93 2z9xA1 LYS 318 HE3 -0.00 -0.00 -0.01 -0.04 2.99 2.93 2z9xA1 ALA 319 H 0.01 0.07 -0.21 -0.55 8.40 7.71 2z9xA1 ALA 319 HA 0.01 0.06 0.46 -0.75 4.34 4.12 2z9xA1 ALA 319 HB3 0.01 0.05 0.07 -0.04 1.41 1.50 2z9xA1 LEU 320 H 0.03 0.39 -0.32 -0.55 8.37 7.92 2z9xA1 LEU 320 HA 0.05 0.07 0.36 -0.75 4.35 4.08 2z9xA1 LEU 320 HB2 0.04 0.05 0.01 -0.04 1.64 1.70 2z9xA1 LEU 320 HB3 0.05 0.15 0.14 -0.04 1.64 1.94 2z9xA1 LEU 320 HG 0.11 -0.04 -0.26 -0.04 1.64 1.42 2z9xA1 LEU 320 HD13 0.07 0.02 -0.19 -0.04 0.93 0.78 2z9xA1 LEU 320 HD23 0.03 0.00 -0.09 -0.04 0.89 0.79 2z9xA1 ARG 321 H 0.05 0.50 -0.06 -0.55 8.46 8.40 2z9xA1 ARG 321 HA 0.14 0.03 0.47 -0.75 4.34 4.22 2z9xA1 ARG 321 HB2 0.04 0.06 0.16 -0.04 1.90 2.11 2z9xA1 ARG 321 HB3 0.04 -0.01 -0.00 -0.04 1.80 1.79 2z9xA1 ARG 321 HG2 0.21 -0.05 -0.03 -0.04 1.67 1.76 2z9xA1 ARG 321 HG3 0.09 0.05 0.02 -0.04 1.67 1.79 2z9xA1 ARG 321 HD2 0.05 0.09 -0.21 -0.04 3.22 3.10 2z9xA1 ARG 321 HD3 0.06 0.13 -0.52 -0.04 3.22 2.85 2z9xA1 GLN 322 H 0.02 0.49 -0.18 -0.55 8.47 8.25 2z9xA1 GLN 322 HA -0.01 0.02 0.55 -0.75 4.36 4.16 2z9xA1 GLN 322 HB2 0.00 0.08 0.17 -0.04 2.15 2.37 2z9xA1 GLN 322 HB3 -0.01 -0.03 0.03 -0.04 2.02 1.98 2z9xA1 GLN 322 HG2 -0.00 -0.03 0.04 -0.04 2.40 2.36 2z9xA1 GLN 322 HG3 0.00 0.18 0.09 -0.04 2.39 2.62 2z9xA1 GLN 322 HE21 -0.00 -0.03 -0.04 -0.04 6.97 6.86 2z9xA1 GLN 322 HE22 -0.00 0.00 -0.02 -0.04 7.69 7.63 2z9xA1 ALA 323 H 0.02 0.66 -0.10 -0.55 8.40 8.43 2z9xA1 ALA 323 HA -0.04 0.01 0.58 -0.75 4.34 4.14 2z9xA1 ALA 323 HB3 0.02 0.02 0.12 -0.04 1.41 1.52 2z9xA1 ALA 324 H 0.05 0.57 -0.03 -0.55 8.40 8.45 2z9xA1 ALA 324 HA 0.18 0.03 0.45 -0.75 4.34 4.24 2z9xA1 ALA 324 HB3 0.05 0.00 0.07 -0.04 1.41 1.49 2z9xA1 ARG 325 H -0.06 0.42 -0.22 -0.55 8.46 8.05 2z9xA1 ARG 325 HA -0.16 -0.09 0.44 -0.75 4.34 3.77 2z9xA1 ARG 325 HB2 -0.10 0.04 0.08 -0.04 1.90 1.88 2z9xA1 ARG 325 HB3 -0.06 0.07 0.11 -0.04 1.80 1.87 2z9xA1 ARG 325 HG2 -0.09 0.05 -0.22 -0.04 1.67 1.37 2z9xA1 ARG 325 HG3 -0.14 -0.09 -0.21 -0.04 1.67 1.19 2z9xA1 ARG 325 HD2 -0.07 -0.06 -0.05 -0.04 3.22 3.00 2z9xA1 ARG 325 HD3 -0.05 0.00 -0.07 -0.04 3.22 3.06 2z9xA1 ALA 326 H -0.05 0.58 0.02 -0.55 8.40 8.40 2z9xA1 ALA 326 HA 0.06 0.15 0.46 -0.75 4.34 4.25 2z9xA1 ALA 326 HB3 -0.03 -0.02 0.14 -0.04 1.41 1.46 2z9xA1 ARG 327 H -0.19 0.57 -0.11 -0.55 8.46 8.18 2z9xA1 ARG 327 HA -0.19 0.22 0.73 -0.75 4.34 4.35 2z9xA1 ARG 327 HB2 -0.91 0.12 0.14 -0.04 1.90 1.21 2z9xA1 ARG 327 HB3 -1.34 -0.05 -0.01 -0.04 1.80 0.36 2z9xA1 ARG 327 HG2 -0.22 0.04 0.05 -0.04 1.67 1.50 2z9xA1 ARG 327 HG3 -0.19 -0.06 0.05 -0.04 1.67 1.43 2z9xA1 ARG 327 HD2 -0.17 -0.02 -0.07 -0.04 3.22 2.92 2z9xA1 ARG 327 HD3 -0.17 -0.02 -0.03 -0.04 3.22 2.95 2z9xA1 TYR 328 H -0.17 0.32 -0.04 -0.55 8.29 7.84 2z9xA1 TYR 328 HA 0.10 0.21 0.88 -0.75 4.56 4.99 2z9xA1 TYR 328 HB2 -0.06 0.04 0.12 -0.04 3.06 3.12 2z9xA1 TYR 328 HB3 -0.01 -0.06 0.11 -0.04 2.98 2.98 2z9xA1 TYR 328 HD2 0.04 0.05 0.01 -0.04 7.15 7.21 2z9xA1 TYR 328 HE2 0.04 -0.02 -0.09 -0.04 6.85 6.74 2z9xA1 GLY 329 H -0.23 0.41 0.08 -0.55 8.43 8.15 2z9xA1 GLY 329 HA2 -0.62 0.17 0.43 -0.51 4.01 3.47 2z9xA1 GLY 329 HA3 -0.96 0.00 0.53 -0.51 4.01 3.07 2z9xA1 VAL 330 H -0.18 0.35 -0.12 -0.55 8.24 7.74 2z9xA1 VAL 330 HA -0.23 0.28 0.91 -0.75 4.13 4.34 2z9xA1 VAL 330 HB -0.23 -0.01 -0.02 -0.04 2.12 1.82 2z9xA1 VAL 330 HG13 -0.53 -0.02 -0.24 -0.04 0.97 0.14 2z9xA1 VAL 330 HG23 -0.06 0.05 -0.16 -0.04 0.95 0.73 2z9xA1 VAL 331 H -0.27 0.55 0.38 -0.55 8.24 8.34 2z9xA1 VAL 331 HA -0.26 0.18 0.81 -0.75 4.13 4.10 2z9xA1 VAL 331 HB -0.13 -0.18 0.18 -0.04 2.12 1.95 2z9xA1 VAL 331 HG13 -0.07 0.02 -0.12 -0.04 0.97 0.76 2z9xA1 VAL 331 HG23 -0.14 0.04 -0.13 -0.04 0.95 0.68 2z9xA1 PHE 332 H -0.11 0.20 0.18 -0.55 8.34 8.05 2z9xA1 PHE 332 HA -0.05 0.24 0.80 -0.75 4.62 4.86 2z9xA1 PHE 332 HB2 -0.02 -0.07 0.02 -0.04 3.15 3.03 2z9xA1 PHE 332 HB3 -0.03 0.18 0.09 -0.04 3.06 3.26 2z9xA1 PHE 332 HD2 -0.01 0.08 -0.02 -0.04 7.28 7.28 2z9xA1 PHE 332 HE2 0.02 -0.02 -0.13 -0.04 7.38 7.22 2z9xA1 PHE 332 HZ 0.02 0.10 0.04 -0.04 7.32 7.44 2z9xA1 SER 333 H 0.10 0.58 0.33 -0.55 8.46 8.93 2z9xA1 SER 333 HA 0.02 0.09 0.85 -0.75 4.49 4.69 2z9xA1 SER 333 HB2 -0.02 0.03 0.15 -0.04 3.95 4.07 2z9xA1 SER 333 HB3 -0.02 0.27 0.06 -0.04 3.93 4.20 2z9xA1 SER 334 H -0.01 0.10 0.20 -0.55 8.46 8.20 2z9xA1 SER 334 HA -0.03 0.11 0.75 -0.75 4.49 4.56 2z9xA1 SER 334 HB2 -0.03 -0.13 0.19 -0.04 3.95 3.94 2z9xA1 SER 334 HB3 -0.01 -0.00 0.16 -0.04 3.93 4.03 2z9xA1 GLY 335 H -0.09 0.06 0.16 -0.55 8.43 8.01 2z9xA1 GLY 335 HA2 -0.13 0.18 0.56 -0.51 4.01 4.11 2z9xA1 GLY 335 HA3 -0.16 0.08 -0.00 -0.51 4.01 3.43 2z9xA1 ARG 336 H -0.09 0.23 0.03 -0.55 8.46 8.07 2z9xA1 ARG 336 HA -0.05 0.17 0.64 -0.75 4.34 4.35 2z9xA1 ARG 336 HB2 -0.02 0.17 -0.22 -0.04 1.90 1.79 2z9xA1 ARG 336 HB3 -0.04 -0.12 0.00 -0.04 1.80 1.60 2z9xA1 ARG 336 HG2 -0.12 -0.05 -0.14 -0.04 1.67 1.32 2z9xA1 ARG 336 HG3 -0.06 0.06 0.06 -0.04 1.67 1.69 2z9xA1 ARG 336 HD2 0.05 0.09 -0.05 -0.04 3.22 3.27 2z9xA1 ARG 336 HD3 -0.06 -0.12 -0.07 -0.04 3.22 2.93 2z9xA1 GLY 337 H -0.05 0.21 0.11 -0.55 8.43 8.15 2z9xA1 GLY 337 HA2 -0.04 0.13 0.34 -0.51 4.01 3.93 2z9xA1 GLY 337 HA3 -0.04 -0.02 0.41 -0.51 4.01 3.85 2z9xA1 GLU 338 H 0.08 0.08 0.22 -0.55 8.60 8.43 2z9xA1 GLU 338 HA 0.03 0.13 0.37 -0.75 4.29 4.06 2z9xA1 GLU 338 HB2 0.31 0.00 0.06 -0.04 2.09 2.42 2z9xA1 GLU 338 HB3 0.03 0.00 0.08 -0.04 1.99 2.05 2z9xA1 GLU 338 HG2 0.19 -0.10 0.11 -0.04 2.34 2.50 2z9xA1 GLU 338 HG3 0.04 0.03 0.01 -0.04 2.34 2.37 2z9xA1 THR 339 H 0.02 0.29 -0.14 -0.55 8.28 7.89 2z9xA1 THR 339 HA -0.11 0.24 0.67 -0.75 4.39 4.43 2z9xA1 THR 339 HB -0.57 0.03 0.14 -0.04 4.32 3.87 2z9xA1 THR 339 HG23 0.02 0.01 -0.04 -0.04 1.22 1.16 2z9xA1 LEU 340 H -0.05 0.38 -0.63 -0.55 8.37 7.52 2z9xA1 LEU 340 HA -0.08 -0.12 0.35 -0.75 4.35 3.74 2z9xA1 LEU 340 HB2 -0.05 -0.17 -0.23 -0.04 1.64 1.15 2z9xA1 LEU 340 HB3 -0.04 0.21 0.01 -0.04 1.64 1.77 2z9xA1 LEU 340 HG -0.03 0.03 -0.22 -0.04 1.64 1.37 2z9xA1 LEU 340 HD13 -0.04 -0.00 -0.01 -0.04 0.93 0.84 2z9xA1 LEU 340 HD23 -0.03 -0.00 -0.03 -0.04 0.89 0.78 2z9xA1 GLY 341 H -0.07 0.07 0.24 -0.55 8.43 8.13 2z9xA1 GLY 341 HA2 -0.03 -0.12 0.40 -0.51 4.01 3.75 2z9xA1 GLY 341 HA3 -0.02 0.17 0.63 -0.51 4.01 4.28 2z9xA1 LYS 342 H -0.13 0.47 -0.21 -0.55 8.42 8.00 2z9xA1 LYS 342 HA 0.01 0.20 0.75 -0.75 4.32 4.52 2z9xA1 LYS 342 HB2 -0.26 0.04 0.06 -0.04 1.87 1.66 2z9xA1 LYS 342 HB3 0.10 -0.04 0.07 -0.04 1.79 1.88 2z9xA1 LYS 342 HG2 0.08 -0.02 -0.08 -0.04 1.46 1.40 2z9xA1 LYS 342 HG3 0.00 0.09 -0.23 -0.04 1.46 1.28 2z9xA1 LYS 342 HD2 0.11 0.12 0.07 -0.04 1.69 1.96 2z9xA1 LYS 342 HD3 0.35 -0.08 -0.01 -0.04 1.68 1.90 2z9xA1 LYS 342 HE2 0.11 -0.10 0.00 -0.04 2.99 2.97 2z9xA1 LYS 342 HE3 0.08 -0.05 -0.01 -0.04 2.99 2.98 2z9xA1 LEU 343 H -0.21 0.14 0.21 -0.55 8.37 7.97 2z9xA1 LEU 343 HA -0.11 0.22 0.75 -0.75 4.35 4.46 2z9xA1 LEU 343 HB2 -0.32 0.01 -0.13 -0.04 1.64 1.16 2z9xA1 LEU 343 HB3 -0.75 0.06 -0.25 -0.04 1.64 0.66 2z9xA1 LEU 343 HG -0.63 -0.03 0.01 -0.04 1.64 0.96 2z9xA1 LEU 343 HD13 -0.30 -0.00 -0.40 -0.04 0.93 0.19 2z9xA1 LEU 343 HD23 -1.86 0.05 -0.03 -0.04 0.89 -0.99 2z9xA1 THR 344 H -0.11 0.62 0.30 -0.55 8.28 8.54 2z9xA1 THR 344 HA -0.08 0.15 0.88 -0.75 4.39 4.58 2z9xA1 THR 344 HB -0.14 -0.01 0.05 -0.04 4.32 4.18 2z9xA1 THR 344 HG23 -0.11 0.02 -0.09 -0.04 1.22 1.00 2z9xA1 ARG 345 H -0.07 0.76 0.19 -0.55 8.46 8.78 2z9xA1 ARG 345 HA -0.11 0.31 1.08 -0.75 4.34 4.87 2z9xA1 ARG 345 HB2 -0.06 -0.04 -0.02 -0.04 1.90 1.74 2z9xA1 ARG 345 HB3 -0.07 -0.02 -0.19 -0.04 1.80 1.48 2z9xA1 ARG 345 HG2 -0.10 0.01 -0.27 -0.04 1.67 1.28 2z9xA1 ARG 345 HG3 -0.14 -0.05 -0.42 -0.04 1.67 1.02 2z9xA1 ARG 345 HD2 -0.07 -0.02 -0.19 -0.04 3.22 2.91 2z9xA1 ARG 345 HD3 -0.10 -0.01 -0.10 -0.04 3.22 2.96 2z9xA1 ILE 346 H -0.15 0.73 0.26 -0.55 8.25 8.54 2z9xA1 ILE 346 HA -0.03 0.32 0.99 -0.75 4.18 4.70 2z9xA1 ILE 346 HB -0.14 -0.08 0.13 -0.04 1.89 1.77 2z9xA1 ILE 346 HG12 -0.43 -0.02 -0.08 -0.04 1.49 0.91 2z9xA1 ILE 346 HG13 -0.75 0.04 -0.19 -0.04 1.21 0.27 2z9xA1 ILE 346 HG23 0.06 0.04 -0.07 -0.04 0.93 0.92 2z9xA1 ILE 346 HD13 -0.28 -0.00 -0.15 -0.04 0.88 0.40 2z9xA1 GLY 347 H -0.08 0.45 -0.14 -0.55 8.43 8.11 2z9xA1 GLY 347 HA2 -0.20 0.05 0.56 -0.51 4.01 3.91 2z9xA1 GLY 347 HA3 -0.10 0.30 0.04 -0.51 4.01 3.74 2z9xA1 HIS 348 H -0.09 0.64 -0.10 -0.55 8.41 8.32 2z9xA1 HIS 348 HA -0.01 0.19 0.40 -0.75 4.63 4.46 2z9xA1 HIS 348 HB2 0.05 0.06 0.07 -0.04 3.26 3.41 2z9xA1 HIS 348 HB3 0.00 -0.01 0.02 -0.04 3.20 3.17 2z9xA1 HIS 348 HD2 0.02 -0.06 -0.43 -0.04 6.97 6.46 2z9xA1 HIS 348 HE1 0.02 -0.05 -0.15 -0.04 7.75 7.52 2z9xA1 MET 349 H -0.01 0.16 -0.33 -0.55 8.47 7.74 2z9xA1 MET 349 HA 0.27 0.15 0.83 -0.75 4.52 5.02 2z9xA1 MET 349 HB2 0.00 -0.00 -0.17 -0.04 2.15 1.94 2z9xA1 MET 349 HB3 0.05 0.09 -0.48 -0.04 2.03 1.65 2z9xA1 MET 349 HG2 0.12 -0.08 -0.18 -0.04 2.63 2.45 2z9xA1 MET 349 HG3 0.10 0.23 -0.42 -0.04 2.56 2.43 2z9xA1 MET 349 HE3 0.06 0.04 -0.03 -0.04 2.10 2.13 2z9xA1 GLY 350 H 0.45 0.18 0.14 -0.55 8.43 8.65 2z9xA1 GLY 350 HA2 0.24 0.19 0.36 -0.51 4.01 4.30 2z9xA1 GLY 350 HA3 -0.15 0.06 0.35 -0.51 4.01 3.77 2z9xA1 PRO 351 HA -0.00 0.06 0.26 -0.51 4.44 4.25 2z9xA1 PRO 351 HB2 -0.18 0.03 -0.10 -0.04 2.28 1.99 2z9xA1 PRO 351 HB3 -0.18 -0.05 0.05 -0.04 2.02 1.80 2z9xA1 PRO 351 HG2 -0.30 0.15 -0.14 -0.04 2.03 1.69 2z9xA1 PRO 351 HG3 -0.63 -0.09 -0.35 -0.04 2.03 0.92 2z9xA1 PRO 351 HD2 -0.36 0.30 0.23 -0.04 3.68 3.81 2z9xA1 PRO 351 HD3 -1.27 0.01 0.16 -0.04 3.65 2.50 2z9xA1 THR 352 H -0.14 0.50 -0.36 -0.55 8.28 7.73 2z9xA1 THR 352 HA -0.12 0.14 0.76 -0.75 4.39 4.42 2z9xA1 THR 352 HB -0.16 0.03 0.17 -0.04 4.32 4.31 2z9xA1 THR 352 HG23 -0.33 0.03 0.06 -0.04 1.22 0.94 2z9xA1 ALA 353 H -0.08 0.59 -0.66 -0.55 8.40 7.71 2z9xA1 ALA 353 HA -0.04 0.08 0.52 -0.75 4.34 4.14 2z9xA1 ALA 353 HB3 -0.64 0.02 -0.12 -0.04 1.41 0.63 2z9xA1 GLN 354 H 0.16 0.47 -0.48 -0.55 8.47 8.07 2z9xA1 GLN 354 HA 0.02 0.22 0.66 -0.75 4.36 4.51 2z9xA1 GLN 354 HB2 0.07 -0.08 0.04 -0.04 2.15 2.14 2z9xA1 GLN 354 HB3 -0.04 -0.06 0.05 -0.04 2.02 1.94 2z9xA1 GLN 354 HG2 0.14 0.03 -0.56 -0.04 2.40 1.97 2z9xA1 GLN 354 HG3 0.14 -0.00 -0.05 -0.04 2.39 2.44 2z9xA1 GLN 354 HE21 0.08 -0.02 -0.02 -0.04 6.97 6.96 2z9xA1 GLN 354 HE22 0.14 -0.02 -0.06 -0.04 7.69 7.71 2z9xA1 PRO 355 HA -0.03 0.07 0.40 -0.51 4.44 4.37 2z9xA1 PRO 355 HB2 -0.04 0.01 0.04 -0.04 2.28 2.25 2z9xA1 PRO 355 HB3 -0.03 0.07 0.05 -0.04 2.02 2.07 2z9xA1 PRO 355 HG2 -0.02 0.09 0.03 -0.04 2.03 2.09 2z9xA1 PRO 355 HG3 -0.02 0.06 -0.08 -0.04 2.03 1.94 2z9xA1 PRO 355 HD2 -0.02 0.09 0.18 -0.04 3.68 3.89 2z9xA1 PRO 355 HD3 -0.01 0.26 0.14 -0.04 3.65 4.00 2z9xA1 ILE 356 H -0.11 0.15 -0.28 -0.55 8.25 7.47 2z9xA1 ILE 356 HA -0.08 0.06 0.41 -0.75 4.18 3.81 2z9xA1 ILE 356 HB -0.13 0.02 0.07 -0.04 1.89 1.81 2z9xA1 ILE 356 HG12 -0.14 0.04 -0.01 -0.04 1.49 1.34 2z9xA1 ILE 356 HG13 -0.14 -0.03 0.02 -0.04 1.21 1.01 2z9xA1 ILE 356 HG23 -0.46 0.01 -0.09 -0.04 0.93 0.36 2z9xA1 ILE 356 HD13 -0.06 0.00 0.03 -0.04 0.88 0.81 2z9xA1 TYR 357 H -0.11 0.49 -0.21 -0.55 8.29 7.91 2z9xA1 TYR 357 HA 0.02 0.02 0.56 -0.75 4.56 4.41 2z9xA1 TYR 357 HB2 0.04 0.24 0.18 -0.04 3.06 3.48 2z9xA1 TYR 357 HB3 0.06 -0.00 0.07 -0.04 2.98 3.07 2z9xA1 TYR 357 HD2 0.01 -0.02 0.05 -0.04 7.15 7.15 2z9xA1 TYR 357 HE2 -0.00 0.09 0.02 -0.04 6.85 6.91 2z9xA1 ALA 358 H 0.08 0.31 -0.16 -0.55 8.40 8.07 2z9xA1 ALA 358 HA 0.14 0.05 0.53 -0.75 4.34 4.31 2z9xA1 ALA 358 HB3 -0.02 0.05 0.09 -0.04 1.41 1.48 2z9xA1 ILE 359 H 0.02 0.34 -0.24 -0.55 8.25 7.82 2z9xA1 ILE 359 HA 0.01 0.02 0.42 -0.75 4.18 3.88 2z9xA1 ILE 359 HB -0.02 0.20 0.15 -0.04 1.89 2.19 2z9xA1 ILE 359 HG12 -0.02 0.13 0.03 -0.04 1.49 1.59 2z9xA1 ILE 359 HG13 -0.02 -0.02 -0.00 -0.04 1.21 1.12 2z9xA1 ILE 359 HG23 -0.01 -0.02 -0.09 -0.04 0.93 0.78 2z9xA1 ILE 359 HD13 -0.01 -0.01 -0.07 -0.04 0.88 0.75 2z9xA1 ALA 360 H 0.06 0.43 -0.08 -0.55 8.40 8.27 2z9xA1 ALA 360 HA 0.03 0.03 0.44 -0.75 4.34 4.09 2z9xA1 ALA 360 HB3 0.12 0.03 0.09 -0.04 1.41 1.61 2z9xA1 ALA 361 H 0.16 0.62 -0.20 -0.55 8.40 8.43 2z9xA1 ALA 361 HA 0.39 -0.02 0.30 -0.75 4.34 4.26 2z9xA1 ALA 361 HB3 0.20 0.04 0.09 -0.04 1.41 1.70 2z9xA1 LEU 362 H 0.07 0.71 -0.10 -0.55 8.37 8.51 2z9xA1 LEU 362 HA 0.02 -0.02 0.33 -0.75 4.35 3.92 2z9xA1 LEU 362 HB2 0.02 0.10 0.10 -0.04 1.64 1.82 2z9xA1 LEU 362 HB3 0.01 -0.08 -0.09 -0.04 1.64 1.45 2z9xA1 LEU 362 HG 0.03 0.14 0.06 -0.04 1.64 1.83 2z9xA1 LEU 362 HD13 0.01 -0.00 -0.14 -0.04 0.93 0.75 2z9xA1 LEU 362 HD23 0.01 0.02 -0.11 -0.04 0.89 0.76 2z9xA1 THR 363 H 0.02 0.52 -0.31 -0.55 8.28 7.96 2z9xA1 THR 363 HA -0.06 -0.03 0.43 -0.75 4.39 3.98 2z9xA1 THR 363 HB -0.08 0.13 0.13 -0.04 4.32 4.47 2z9xA1 THR 363 HG23 -0.15 -0.02 -0.05 -0.04 1.22 0.96 2z9xA1 ALA 364 H 0.01 0.62 -0.03 -0.55 8.40 8.46 2z9xA1 ALA 364 HA -0.39 0.04 0.46 -0.75 4.34 3.70 2z9xA1 ALA 364 HB3 0.11 0.02 0.07 -0.04 1.41 1.57 2z9xA1 LEU 365 H 0.23 0.71 -0.10 -0.55 8.37 8.67 2z9xA1 LEU 365 HA 0.25 0.00 0.42 -0.75 4.35 4.27 2z9xA1 LEU 365 HB2 -0.12 0.04 0.03 -0.04 1.64 1.54 2z9xA1 LEU 365 HB3 0.01 0.06 0.08 -0.04 1.64 1.76 2z9xA1 LEU 365 HG -0.01 -0.03 -0.29 -0.04 1.64 1.27 2z9xA1 LEU 365 HD13 -0.14 -0.01 -0.07 -0.04 0.93 0.66 2z9xA1 LEU 365 HD23 -0.13 0.00 -0.12 -0.04 0.89 0.60 2z9xA1 GLY 366 H 0.03 0.75 -0.04 -0.55 8.43 8.62 2z9xA1 GLY 366 HA2 0.03 -0.03 0.44 -0.51 4.01 3.94 2z9xA1 GLY 366 HA3 0.01 0.08 0.28 -0.51 4.01 3.87 2z9xA1 GLY 367 H -0.03 0.68 -0.20 -0.55 8.43 8.33 2z9xA1 GLY 367 HA2 0.07 -0.03 0.39 -0.51 4.01 3.94 2z9xA1 GLY 367 HA3 0.01 0.14 0.30 -0.51 4.01 3.94 2z9xA1 ALA 368 H 0.22 0.53 -0.19 -0.55 8.40 8.41 2z9xA1 ALA 368 HA 0.16 0.05 0.45 -0.75 4.34 4.25 2z9xA1 ALA 368 HB3 0.18 0.02 0.09 -0.04 1.41 1.66 2z9xA1 MET 369 H 0.09 0.64 -0.10 -0.55 8.47 8.56 2z9xA1 MET 369 HA 0.05 0.02 0.42 -0.75 4.52 4.27 2z9xA1 MET 369 HB2 0.05 0.13 0.17 -0.04 2.15 2.45 2z9xA1 MET 369 HB3 0.04 -0.11 -0.06 -0.04 2.03 1.86 2z9xA1 MET 369 HG2 0.05 0.12 0.03 -0.04 2.63 2.79 2z9xA1 MET 369 HG3 0.03 -0.03 -0.07 -0.04 2.56 2.44 2z9xA1 MET 369 HE3 0.01 0.01 -0.06 -0.04 2.10 2.02 2z9xA1 ASN 370 H 0.06 0.61 -0.21 -0.55 8.53 8.45 2z9xA1 ASN 370 HA 0.04 0.00 0.46 -0.75 4.76 4.51 2z9xA1 ASN 370 HB2 0.06 0.00 0.15 -0.04 2.88 3.04 2z9xA1 ASN 370 HB3 0.04 0.00 0.06 -0.04 2.79 2.85 2z9xA1 ASN 370 HD21 0.02 0.10 0.08 -0.04 7.03 7.19 2z9xA1 ASN 370 HD22 0.03 -0.00 0.02 -0.04 7.74 7.75 2z9xA1 ALA 371 H 0.08 0.44 -0.24 -0.55 8.40 8.13 2z9xA1 ALA 371 HA 0.04 0.07 0.59 -0.75 4.34 4.29 2z9xA1 ALA 371 HB3 0.06 0.03 0.13 -0.04 1.41 1.59 2z9xA1 ALA 372 H 0.05 0.31 -0.40 -0.55 8.40 7.81 2z9xA1 ALA 372 HA 0.03 0.10 0.74 -0.75 4.34 4.46 2z9xA1 ALA 372 HB3 0.03 -0.01 0.14 -0.04 1.41 1.53 2z9xA1 GLY 373 H 0.03 0.32 -0.54 -0.55 8.43 7.70 2z9xA1 GLY 373 HA2 0.02 0.05 0.27 -0.51 4.01 3.85 2z9xA1 GLY 373 HA3 0.02 0.10 0.57 -0.51 4.01 4.19 2z9xA1 ARG 374 H 0.03 0.36 -0.02 -0.55 8.46 8.28 2z9xA1 ARG 374 HA 0.02 0.00 0.57 -0.75 4.34 4.18 2z9xA1 ARG 374 HB2 0.03 0.00 -0.27 -0.04 1.90 1.62 2z9xA1 ARG 374 HB3 0.02 0.00 -0.03 -0.04 1.80 1.76 2z9xA1 ARG 374 HG2 0.03 0.07 -0.13 -0.04 1.67 1.59 2z9xA1 ARG 374 HG3 0.03 -0.05 -0.05 -0.04 1.67 1.56 2z9xA1 ARG 374 HD2 0.02 0.00 -0.03 -0.04 3.22 3.17 2z9xA1 ARG 374 HD3 0.02 -0.02 0.01 -0.04 3.22 3.19 2z9xA1 LYS 375 H 0.02 0.20 0.00 -0.55 8.42 8.08 2z9xA1 LYS 375 HA 0.02 0.20 0.84 -0.75 4.32 4.62 2z9xA1 LYS 375 HB2 0.01 -0.02 0.16 -0.04 1.87 1.99 2z9xA1 LYS 375 HB3 0.01 -0.00 0.15 -0.04 1.79 1.90 2z9xA1 LYS 375 HG2 0.02 0.02 -0.01 -0.04 1.46 1.45 2z9xA1 LYS 375 HG3 0.02 0.09 -0.38 -0.04 1.46 1.15 2z9xA1 LYS 375 HD2 0.01 -0.00 -0.01 -0.04 1.69 1.65 2z9xA1 LYS 375 HD3 0.01 -0.04 0.02 -0.04 1.68 1.63 2z9xA1 LYS 375 HE2 0.01 -0.04 0.00 -0.04 2.99 2.92 2z9xA1 LYS 375 HE3 0.01 -0.02 -0.00 -0.04 2.99 2.94 2z9xA1 LEU 376 H 0.02 0.10 -0.12 -0.55 8.37 7.82 2z9xA1 LEU 376 HA 0.01 0.28 0.61 -0.75 4.35 4.50 2z9xA1 LEU 376 HB2 0.02 -0.06 0.04 -0.04 1.64 1.60 2z9xA1 LEU 376 HB3 0.01 -0.05 -0.14 -0.04 1.64 1.43 2z9xA1 LEU 376 HG 0.01 0.07 -0.23 -0.04 1.64 1.45 2z9xA1 LEU 376 HD13 0.02 0.00 -0.16 -0.04 0.93 0.75 2z9xA1 LEU 376 HD23 0.02 -0.03 -0.09 -0.04 0.89 0.75 2z9xA1 ALA 377 H 0.01 0.59 0.27 -0.55 8.40 8.72 2z9xA1 ALA 377 HA 0.01 0.08 0.73 -0.75 4.34 4.41 2z9xA1 ALA 377 HB3 0.01 0.04 0.21 -0.04 1.41 1.62 2z9xA1 ILE 378 H 0.01 0.36 0.06 -0.55 8.25 8.13 2z9xA1 ILE 378 HA 0.00 0.10 0.19 -0.75 4.18 3.71 2z9xA1 ILE 378 HB -0.00 0.00 0.09 -0.04 1.89 1.94 2z9xA1 ILE 378 HG12 0.00 -0.03 -0.04 -0.04 1.49 1.38 2z9xA1 ILE 378 HG13 0.01 0.06 -0.11 -0.04 1.21 1.12 2z9xA1 ILE 378 HG23 -0.02 0.02 -0.13 -0.04 0.93 0.76 2z9xA1 ILE 378 HD13 0.00 0.06 -0.17 -0.04 0.88 0.73 2z9xA1 GLY 379 H -0.00 0.13 -0.04 -0.55 8.43 7.98 2z9xA1 GLY 379 HA2 -0.00 0.07 0.43 -0.51 4.01 4.00 2z9xA1 GLY 379 HA3 -0.00 0.09 0.26 -0.51 4.01 3.84 2z9xA1 LYS 380 H 0.00 0.09 -0.30 -0.55 8.42 7.66 2z9xA1 LYS 380 HA -0.00 0.03 0.49 -0.75 4.32 4.08 2z9xA1 LYS 380 HB2 0.00 0.20 0.06 -0.04 1.87 2.09 2z9xA1 LYS 380 HB3 0.00 0.05 -0.01 -0.04 1.79 1.78 2z9xA1 LYS 380 HG2 0.00 -0.05 0.00 -0.04 1.46 1.37 2z9xA1 LYS 380 HG3 0.00 -0.06 0.04 -0.04 1.46 1.40 2z9xA1 LYS 380 HD2 0.00 -0.02 0.02 -0.04 1.69 1.65 2z9xA1 LYS 380 HD3 0.00 -0.02 0.02 -0.04 1.68 1.65 2z9xA1 LYS 380 HE2 0.00 -0.02 0.04 -0.04 2.99 2.98 2z9xA1 LYS 380 HE3 0.00 0.10 0.08 -0.04 2.99 3.13 2z9xA1 GLY 381 H 0.00 0.51 -0.21 -0.55 8.43 8.18 2z9xA1 GLY 381 HA2 0.00 0.05 0.49 -0.51 4.01 4.05 2z9xA1 GLY 381 HA3 0.00 0.09 0.31 -0.51 4.01 3.90 2z9xA1 ILE 382 H -0.00 0.54 -0.03 -0.55 8.25 8.21 2z9xA1 ILE 382 HA -0.00 0.00 0.41 -0.75 4.18 3.84 2z9xA1 ILE 382 HB -0.01 0.07 0.16 -0.04 1.89 2.07 2z9xA1 ILE 382 HG12 -0.01 0.17 0.00 -0.04 1.49 1.61 2z9xA1 ILE 382 HG13 -0.01 -0.02 -0.01 -0.04 1.21 1.12 2z9xA1 ILE 382 HG23 -0.01 -0.02 -0.08 -0.04 0.93 0.78 2z9xA1 ILE 382 HD13 -0.00 -0.02 -0.04 -0.04 0.88 0.77 2z9xA1 GLU 383 H -0.00 0.58 -0.13 -0.55 8.60 8.51 2z9xA1 GLU 383 HA -0.01 -0.02 0.42 -0.75 4.29 3.94 2z9xA1 GLU 383 HB2 -0.00 0.10 0.13 -0.04 2.09 2.28 2z9xA1 GLU 383 HB3 -0.00 -0.04 0.05 -0.04 1.99 1.95 2z9xA1 GLU 383 HG2 -0.00 -0.05 0.02 -0.04 2.34 2.26 2z9xA1 GLU 383 HG3 -0.00 0.18 0.09 -0.04 2.34 2.57 2z9xA1 ALA 384 H -0.00 0.58 -0.21 -0.55 8.40 8.22 2z9xA1 ALA 384 HA -0.00 0.01 0.43 -0.75 4.34 4.02 2z9xA1 ALA 384 HB3 -0.00 0.02 0.01 -0.04 1.41 1.40 2z9xA1 ALA 385 H -0.01 0.49 -0.16 -0.55 8.40 8.17 2z9xA1 ALA 385 HA -0.01 0.06 0.55 -0.75 4.34 4.19 2z9xA1 ALA 385 HB3 -0.01 -0.00 0.06 -0.04 1.41 1.42 2z9xA1 LEU 386 H -0.01 0.69 -0.03 -0.55 8.37 8.47 2z9xA1 LEU 386 HA -0.01 -0.03 0.46 -0.75 4.35 4.01 2z9xA1 LEU 386 HB2 -0.01 0.03 0.10 -0.04 1.64 1.72 2z9xA1 LEU 386 HB3 -0.01 0.09 0.13 -0.04 1.64 1.81 2z9xA1 LEU 386 HG -0.01 -0.01 -0.12 -0.04 1.64 1.46 2z9xA1 LEU 386 HD13 -0.02 -0.02 0.03 -0.04 0.93 0.88 2z9xA1 LEU 386 HD23 -0.01 -0.00 -0.03 -0.04 0.89 0.80 2z9xA1 ALA 387 H -0.01 0.69 -0.14 -0.55 8.40 8.40 2z9xA1 ALA 387 HA -0.01 -0.02 0.45 -0.75 4.34 4.01 2z9xA1 ALA 387 HB3 -0.00 0.03 0.10 -0.04 1.41 1.50 2z9xA1 VAL 388 H -0.01 0.44 -0.27 -0.55 8.24 7.85 2z9xA1 VAL 388 HA -0.01 0.02 0.43 -0.75 4.13 3.82 2z9xA1 VAL 388 HB -0.01 0.17 0.21 -0.04 2.12 2.45 2z9xA1 VAL 388 HG13 -0.01 -0.03 -0.23 -0.04 0.97 0.66 2z9xA1 VAL 388 HG23 -0.01 0.04 0.02 -0.04 0.95 0.96 2z9xA1 ILE 389 H -0.01 0.46 -0.07 -0.55 8.25 8.07 2z9xA1 ILE 389 HA -0.01 0.01 0.42 -0.75 4.18 3.84 2z9xA1 ILE 389 HB -0.02 0.11 0.19 -0.04 1.89 2.14 2z9xA1 ILE 389 HG12 -0.02 -0.07 0.01 -0.04 1.49 1.36 2z9xA1 ILE 389 HG13 -0.02 0.15 0.09 -0.04 1.21 1.39 2z9xA1 ILE 389 HG23 -0.02 -0.02 -0.11 -0.04 0.93 0.73 2z9xA1 ILE 389 HD13 -0.02 -0.03 -0.12 -0.04 0.88 0.67 2z9xA1 ASP 390 H -0.01 0.71 -0.03 -0.55 8.40 8.52 2z9xA1 ASP 390 HA -0.01 -0.03 0.37 -0.75 4.63 4.21 2z9xA1 ASP 390 HB2 -0.01 0.08 0.11 -0.04 2.71 2.85 2z9xA1 ASP 390 HB3 -0.01 -0.04 0.04 -0.04 2.70 2.65 2z9xA1 ALA 391 H -0.01 0.50 -0.32 -0.55 8.40 8.03 2z9xA1 ALA 391 HA -0.00 0.02 0.48 -0.75 4.34 4.08 2z9xA1 ALA 391 HB3 -0.00 -0.00 0.11 -0.04 1.41 1.47 2z9xA1 ASP 392 H -0.00 0.41 -0.36 -0.55 8.40 7.89 2z9xA1 ASP 392 HA 0.00 0.07 0.66 -0.75 4.63 4.60 2z9xA1 ASP 392 HB2 -0.00 0.05 0.10 -0.04 2.71 2.82 2z9xA1 ASP 392 HB3 -0.00 0.08 0.05 -0.04 2.70 2.78 2z9xA1 ALA 393 H -0.01 0.30 -0.43 -0.55 8.40 7.73 2z9xA1 ALA 393 HA -0.01 0.06 0.13 -0.75 4.34 3.76 2z9xA1 ALA 393 HB3 -0.01 0.03 0.08 -0.04 1.41 1.46