============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 29 rings ring int. center anis. iso. TRP 1 1.040 5.661 14.775 31.403 -99.200 -91.000 TRP6 1 1.020 4.192 14.369 33.200 -99.200 -91.000 PHE 5 1.000 13.037 7.954 27.936 -99.200 -91.000 HIS 31 0.900 -1.311 -13.723 32.931 -99.200 -91.000 PHE 45 1.000 5.522 7.390 37.755 -99.200 -91.000 HIS 48 0.900 1.558 9.198 36.074 -99.200 -91.000 PHE 50 1.000 -0.533 2.199 34.808 -99.200 -91.000 HIS 61 0.900 -7.103 16.364 26.562 -99.200 -91.000 TRP 65 1.040 2.752 5.200 32.995 -99.200 -91.000 TRP6 65 1.020 5.035 5.026 32.426 -99.200 -91.000 PHE 76 1.000 8.434 -16.135 25.713 -99.200 -91.000 HIS 78 0.900 5.335 -21.858 16.935 -99.200 -91.000 PHE 80 1.000 10.590 -16.149 13.513 -99.200 -91.000 PHE 89 1.000 3.631 9.464 30.638 -99.200 -91.000 PHE 97 1.000 7.812 7.959 28.603 -99.200 -91.000 TYR 101 0.840 15.855 -4.818 25.738 -99.200 -91.000 HIS 102 0.900 14.666 -7.942 18.712 -99.200 -91.000 TYR 109 0.840 14.410 -0.468 17.846 -99.200 -91.000 PHE 118 1.000 18.653 9.854 20.014 -99.200 -91.000 PHE 153 1.000 -2.317 -11.580 6.186 -99.200 -91.000 HIS 162 0.900 -2.030 -7.420 -9.434 -99.200 -91.000 HIS 166 0.900 13.029 -3.548 -3.675 -99.200 -91.000 HIS 180 0.900 13.167 -4.370 11.609 -99.200 -91.000 TYR 189 0.840 2.916 -2.364 10.570 -99.200 -91.000 TYR 190 0.840 -0.806 -3.799 4.723 -99.200 -91.000 PHE 192 1.000 -7.222 -2.263 7.230 -99.200 -91.000 HIS 195 0.900 -5.192 -6.043 20.365 -99.200 -91.000 TRP 197 1.040 -2.140 -3.673 23.690 -99.200 -91.000 TRP6 197 1.020 -4.381 -3.404 24.361 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fvzA1 TRP 16 HA -0.03 -0.03 0.16 -0.75 4.62 3.97 2fvzA1 TRP 16 HB2 0.03 0.01 0.06 -0.04 3.23 3.29 2fvzA1 TRP 16 HB3 -0.16 -0.09 0.09 -0.04 3.23 3.03 2fvzA1 TRP 16 HD1 0.04 0.04 0.00 -0.04 7.22 7.26 2fvzA1 TRP 16 HE1 0.03 0.04 -0.01 -0.04 10.20 10.22 2fvzA1 TRP 16 HE3 -0.12 -0.08 -0.03 -0.04 7.59 7.32 2fvzA1 TRP 16 HZ2 0.02 0.02 0.02 -0.04 7.44 7.46 2fvzA1 TRP 16 HZ3 0.12 0.04 0.00 -0.04 7.13 7.25 2fvzA1 TRP 16 HH2 0.05 0.03 0.03 -0.04 7.19 7.26 2fvzA1 GLU 17 H -0.00 0.19 0.10 -0.55 8.60 8.34 2fvzA1 GLU 17 HA 0.05 0.09 0.17 -0.75 4.29 3.85 2fvzA1 GLU 17 HB2 0.01 -0.04 0.15 -0.04 2.09 2.17 2fvzA1 GLU 17 HB3 0.03 0.03 0.00 -0.04 1.99 2.01 2fvzA1 GLU 17 HG2 -0.02 0.04 0.09 -0.04 2.34 2.41 2fvzA1 GLU 17 HG3 -0.02 0.04 0.03 -0.04 2.34 2.35 2fvzA1 GLU 18 H 0.05 0.15 0.02 -0.55 8.60 8.27 2fvzA1 GLU 18 HA 0.09 0.08 0.28 -0.75 4.29 3.98 2fvzA1 GLU 18 HB2 0.08 0.01 0.10 -0.04 2.09 2.24 2fvzA1 GLU 18 HB3 0.15 0.02 -0.01 -0.04 1.99 2.11 2fvzA1 GLU 18 HG2 0.18 -0.01 0.04 -0.04 2.34 2.51 2fvzA1 GLU 18 HG3 0.10 0.02 0.02 -0.04 2.34 2.44 2fvzA1 CYS 19 H 0.11 0.11 -0.54 -0.55 8.50 7.63 2fvzA1 CYS 19 HA 0.43 0.12 0.58 -0.75 4.58 4.96 2fvzA1 CYS 19 HB2 -0.02 0.11 0.03 -0.04 2.97 3.05 2fvzA1 CYS 19 HB3 -0.23 -0.01 -0.09 -0.04 2.97 2.61 2fvzA1 PHE 20 H -0.07 0.61 0.10 -0.55 8.34 8.43 2fvzA1 PHE 20 HA -1.45 -0.01 0.40 -0.75 4.62 2.80 2fvzA1 PHE 20 HB2 -0.80 0.04 0.06 -0.04 3.15 2.41 2fvzA1 PHE 20 HB3 -0.30 0.06 0.12 -0.04 3.06 2.90 2fvzA1 PHE 20 HD2 -0.65 -0.01 -0.11 -0.04 7.28 6.47 2fvzA1 PHE 20 HE2 -0.02 0.03 -0.07 -0.04 7.38 7.28 2fvzA1 PHE 20 HZ 0.00 0.01 -0.07 -0.04 7.32 7.22 2fvzA1 GLN 21 H 0.04 0.88 -0.15 -0.55 8.47 8.68 2fvzA1 GLN 21 HA -0.17 0.01 0.41 -0.75 4.36 3.86 2fvzA1 GLN 21 HB2 0.04 0.10 -0.03 -0.04 2.15 2.23 2fvzA1 GLN 21 HB3 0.00 -0.03 0.02 -0.04 2.02 1.97 2fvzA1 GLN 21 HG2 0.10 0.45 -0.03 -0.04 2.40 2.87 2fvzA1 GLN 21 HG3 0.05 -0.06 -0.16 -0.04 2.39 2.17 2fvzA1 GLN 21 HE21 0.09 0.03 -0.06 -0.04 6.97 6.99 2fvzA1 GLN 21 HE22 0.08 -0.06 -0.07 -0.04 7.69 7.60 2fvzA1 ALA 22 H 0.12 0.31 -0.41 -0.55 8.40 7.87 2fvzA1 ALA 22 HA 0.05 0.02 0.47 -0.75 4.34 4.12 2fvzA1 ALA 22 HB3 0.29 0.05 0.12 -0.04 1.41 1.83 2fvzA1 ALA 23 H 0.12 0.54 -0.25 -0.55 8.40 8.26 2fvzA1 ALA 23 HA 0.22 0.00 0.47 -0.75 4.34 4.28 2fvzA1 ALA 23 HB3 0.39 0.04 0.04 -0.04 1.41 1.84 2fvzA1 VAL 24 H -0.34 0.59 -0.07 -0.55 8.24 7.88 2fvzA1 VAL 24 HA -0.17 -0.00 0.37 -0.75 4.13 3.57 2fvzA1 VAL 24 HB -0.28 0.08 0.13 -0.04 2.12 2.01 2fvzA1 VAL 24 HG13 -0.13 -0.01 -0.18 -0.04 0.97 0.61 2fvzA1 VAL 24 HG23 -0.71 0.04 -0.02 -0.04 0.95 0.22 2fvzA1 GLN 25 H -0.10 0.64 -0.15 -0.55 8.47 8.32 2fvzA1 GLN 25 HA -0.08 0.02 0.34 -0.75 4.36 3.89 2fvzA1 GLN 25 HB2 -0.04 0.19 0.17 -0.04 2.15 2.43 2fvzA1 GLN 25 HB3 -0.04 -0.03 -0.04 -0.04 2.02 1.86 2fvzA1 GLN 25 HG2 -0.03 -0.02 0.00 -0.04 2.40 2.30 2fvzA1 GLN 25 HG3 -0.05 -0.06 0.01 -0.04 2.39 2.25 2fvzA1 GLN 25 HE21 -0.00 -0.08 -0.12 -0.04 6.97 6.73 2fvzA1 GLN 25 HE22 -0.01 -0.02 -0.07 -0.04 7.69 7.55 2fvzA1 LEU 26 H -0.03 0.40 -0.41 -0.55 8.37 7.78 2fvzA1 LEU 26 HA -0.04 0.07 0.57 -0.75 4.35 4.19 2fvzA1 LEU 26 HB2 -0.01 0.20 0.19 -0.04 1.64 1.98 2fvzA1 LEU 26 HB3 -0.02 -0.11 -0.02 -0.04 1.64 1.45 2fvzA1 LEU 26 HG -0.05 -0.01 -0.03 -0.04 1.64 1.52 2fvzA1 LEU 26 HD13 -0.11 0.03 -0.02 -0.04 0.93 0.80 2fvzA1 LEU 26 HD23 -0.06 -0.03 -0.06 -0.04 0.89 0.70 2fvzA1 ALA 27 H -0.01 0.72 -0.03 -0.55 8.40 8.53 2fvzA1 ALA 27 HA 0.05 -0.03 0.38 -0.75 4.34 4.00 2fvzA1 ALA 27 HB3 0.05 0.01 0.05 -0.04 1.41 1.49 2fvzA1 LEU 28 H -0.14 0.40 -0.44 -0.55 8.37 7.64 2fvzA1 LEU 28 HA -0.47 0.08 0.68 -0.75 4.35 3.88 2fvzA1 LEU 28 HB2 -0.32 0.02 -0.05 -0.04 1.64 1.25 2fvzA1 LEU 28 HB3 -0.89 -0.03 -0.04 -0.04 1.64 0.64 2fvzA1 LEU 28 HG -0.23 0.28 0.08 -0.04 1.64 1.72 2fvzA1 LEU 28 HD13 -0.12 -0.06 -0.01 -0.04 0.93 0.70 2fvzA1 LEU 28 HD23 -0.19 -0.03 -0.08 -0.04 0.89 0.55 2fvzA1 ARG 29 H -0.07 0.33 -0.15 -0.55 8.46 8.02 2fvzA1 ARG 29 HA -0.02 0.09 0.67 -0.75 4.34 4.32 2fvzA1 ARG 29 HB2 -0.03 0.02 0.14 -0.04 1.90 1.99 2fvzA1 ARG 29 HB3 -0.03 0.11 0.27 -0.04 1.80 2.10 2fvzA1 ARG 29 HG2 -0.02 -0.01 -0.10 -0.04 1.67 1.50 2fvzA1 ARG 29 HG3 -0.01 -0.07 -0.28 -0.04 1.67 1.28 2fvzA1 ARG 29 HD2 -0.01 -0.02 -0.02 -0.04 3.22 3.13 2fvzA1 ARG 29 HD3 -0.02 0.03 0.01 -0.04 3.22 3.19 2fvzA1 ALA 30 H 0.00 0.79 -0.02 -0.55 8.40 8.62 2fvzA1 ALA 30 HA 0.03 0.03 0.58 -0.75 4.34 4.24 2fvzA1 ALA 30 HB3 0.04 0.02 0.09 -0.04 1.41 1.53 2fvzA1 GLY 31 H 0.10 0.45 -0.27 -0.55 8.43 8.16 2fvzA1 GLY 31 HA2 0.26 -0.06 0.36 -0.51 4.01 4.06 2fvzA1 GLY 31 HA3 0.52 0.08 0.30 -0.51 4.01 4.40 2fvzA1 GLN 32 H 0.07 0.34 -0.61 -0.55 8.47 7.72 2fvzA1 GLN 32 HA 0.10 0.06 0.64 -0.75 4.36 4.41 2fvzA1 GLN 32 HB2 0.04 -0.04 0.11 -0.04 2.15 2.22 2fvzA1 GLN 32 HB3 0.03 0.14 0.26 -0.04 2.02 2.41 2fvzA1 GLN 32 HG2 0.03 0.07 -0.25 -0.04 2.40 2.21 2fvzA1 GLN 32 HG3 0.03 -0.08 -0.13 -0.04 2.39 2.17 2fvzA1 GLN 32 HE21 -0.00 -0.04 0.00 -0.04 6.97 6.89 2fvzA1 GLN 32 HE22 0.01 -0.02 -0.02 -0.04 7.69 7.62 2fvzA1 ILE 33 H 0.06 0.46 -0.12 -0.55 8.25 8.09 2fvzA1 ILE 33 HA 0.05 0.02 0.30 -0.75 4.18 3.80 2fvzA1 ILE 33 HB 0.05 0.16 0.19 -0.04 1.89 2.25 2fvzA1 ILE 33 HG12 0.02 -0.05 0.02 -0.04 1.49 1.44 2fvzA1 ILE 33 HG13 0.02 0.28 0.12 -0.04 1.21 1.60 2fvzA1 ILE 33 HG23 0.04 -0.03 -0.13 -0.04 0.93 0.77 2fvzA1 ILE 33 HD13 0.01 -0.04 -0.06 -0.04 0.88 0.75 2fvzA1 ILE 34 H 0.12 0.32 -0.45 -0.55 8.25 7.69 2fvzA1 ILE 34 HA 0.25 0.07 0.48 -0.75 4.18 4.22 2fvzA1 ILE 34 HB 0.17 0.07 0.00 -0.04 1.89 2.08 2fvzA1 ILE 34 HG12 0.17 -0.08 -0.14 -0.04 1.49 1.40 2fvzA1 ILE 34 HG13 0.11 0.04 -0.16 -0.04 1.21 1.16 2fvzA1 ILE 34 HG23 0.41 -0.01 -0.21 -0.04 0.93 1.08 2fvzA1 ILE 34 HD13 0.11 -0.02 -0.18 -0.04 0.88 0.76 2fvzA1 ARG 35 H 0.10 0.40 -0.16 -0.55 8.46 8.25 2fvzA1 ARG 35 HA 0.00 0.04 0.48 -0.75 4.34 4.11 2fvzA1 ARG 35 HB2 0.07 0.21 0.25 -0.04 1.90 2.40 2fvzA1 ARG 35 HB3 0.03 -0.01 0.04 -0.04 1.80 1.83 2fvzA1 ARG 35 HG2 -0.01 -0.05 0.01 -0.04 1.67 1.59 2fvzA1 ARG 35 HG3 0.01 -0.09 -0.15 -0.04 1.67 1.39 2fvzA1 ARG 35 HD2 0.01 -0.05 0.04 -0.04 3.22 3.18 2fvzA1 ARG 35 HD3 0.01 0.38 0.14 -0.04 3.22 3.71 2fvzA1 LYS 36 H 0.05 0.53 -0.04 -0.55 8.42 8.41 2fvzA1 LYS 36 HA 0.02 0.05 0.39 -0.75 4.32 4.02 2fvzA1 LYS 36 HB2 0.04 0.16 0.09 -0.04 1.87 2.12 2fvzA1 LYS 36 HB3 0.03 -0.01 -0.06 -0.04 1.79 1.71 2fvzA1 LYS 36 HG2 0.02 -0.01 0.06 -0.04 1.46 1.49 2fvzA1 LYS 36 HG3 0.02 0.00 0.03 -0.04 1.46 1.47 2fvzA1 LYS 36 HD2 0.02 -0.01 -0.02 -0.04 1.69 1.64 2fvzA1 LYS 36 HD3 0.01 -0.02 -0.00 -0.04 1.68 1.63 2fvzA1 LYS 36 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.93 2fvzA1 LYS 36 HE3 0.02 0.02 -0.00 -0.04 2.99 2.99 2fvzA1 ALA 37 H 0.09 0.11 -0.85 -0.55 8.40 7.19 2fvzA1 ALA 37 HA 0.09 0.03 0.62 -0.75 4.34 4.32 2fvzA1 ALA 37 HB3 0.27 0.02 0.13 -0.04 1.41 1.79 2fvzA1 LEU 38 H -0.04 0.43 -0.15 -0.55 8.37 8.07 2fvzA1 LEU 38 HA -0.44 0.02 0.34 -0.75 4.35 3.52 2fvzA1 LEU 38 HB2 -0.15 0.11 0.23 -0.04 1.64 1.79 2fvzA1 LEU 38 HB3 -0.21 0.01 -0.00 -0.04 1.64 1.39 2fvzA1 LEU 38 HG -0.43 0.05 -0.02 -0.04 1.64 1.19 2fvzA1 LEU 38 HD13 -0.20 -0.03 -0.12 -0.04 0.93 0.54 2fvzA1 LEU 38 HD23 -1.61 -0.02 -0.01 -0.04 0.89 -0.79 2fvzA1 THR 39 H -0.04 0.20 -0.32 -0.55 8.28 7.58 2fvzA1 THR 39 HA -0.04 0.03 0.36 -0.75 4.39 3.98 2fvzA1 THR 39 HB -0.00 0.03 -0.02 -0.04 4.32 4.29 2fvzA1 THR 39 HG23 -0.01 -0.03 0.01 -0.04 1.22 1.15 2fvzA1 GLU 40 H 0.00 0.16 -0.43 -0.55 8.60 7.78 2fvzA1 GLU 40 HA 0.01 -0.06 0.32 -0.75 4.29 3.81 2fvzA1 GLU 40 HB2 0.05 0.18 0.04 -0.04 2.09 2.32 2fvzA1 GLU 40 HB3 0.03 -0.20 0.14 -0.04 1.99 1.91 2fvzA1 GLU 40 HG2 0.03 -0.03 0.07 -0.04 2.34 2.37 2fvzA1 GLU 40 HG3 0.05 0.14 0.17 -0.04 2.34 2.66 2fvzA1 GLU 41 H 0.01 0.02 0.08 -0.55 8.60 8.16 2fvzA1 GLU 41 HA 0.00 0.34 0.70 -0.75 4.29 4.57 2fvzA1 GLU 41 HB2 0.00 0.05 0.06 -0.04 2.09 2.17 2fvzA1 GLU 41 HB3 0.01 -0.05 0.10 -0.04 1.99 2.01 2fvzA1 GLU 41 HG2 0.01 -0.04 0.06 -0.04 2.34 2.32 2fvzA1 GLU 41 HG3 0.01 -0.02 0.08 -0.04 2.34 2.37 2fvzA1 THR 55 HA -0.25 -0.06 0.22 -0.75 4.39 3.55 2fvzA1 THR 55 HB -0.06 0.04 0.08 -0.04 4.32 4.34 2fvzA1 THR 55 HG23 -0.00 0.01 -0.19 -0.04 1.22 0.99 2fvzA1 GLU 56 H -0.07 0.26 0.13 -0.55 8.60 8.38 2fvzA1 GLU 56 HA 0.06 0.10 0.66 -0.75 4.29 4.36 2fvzA1 GLU 56 HB2 -0.01 0.03 0.16 -0.04 2.09 2.23 2fvzA1 GLU 56 HB3 0.00 0.03 -0.00 -0.04 1.99 1.98 2fvzA1 GLU 56 HG2 0.03 0.01 0.04 -0.04 2.34 2.38 2fvzA1 GLU 56 HG3 0.02 -0.02 0.02 -0.04 2.34 2.32 2fvzA1 THR 57 H -0.12 0.21 0.02 -0.55 8.28 7.85 2fvzA1 THR 57 HA -0.04 0.10 0.40 -0.75 4.39 4.09 2fvzA1 THR 57 HB -0.32 -0.00 0.05 -0.04 4.32 4.01 2fvzA1 THR 57 HG23 -0.03 0.01 -0.23 -0.04 1.22 0.92 2fvzA1 ASP 58 H -0.26 0.16 -0.32 -0.55 8.40 7.44 2fvzA1 ASP 58 HA -0.17 0.01 0.32 -0.75 4.63 4.04 2fvzA1 ASP 58 HB2 -0.26 0.02 0.07 -0.04 2.71 2.50 2fvzA1 ASP 58 HB3 -0.40 0.17 0.06 -0.04 2.70 2.49 2fvzA1 HIS 59 H -0.30 0.45 -0.21 -0.55 8.41 7.80 2fvzA1 HIS 59 HA -0.08 -0.03 0.39 -0.75 4.63 4.16 2fvzA1 HIS 59 HB2 -0.06 0.10 0.18 -0.04 3.26 3.45 2fvzA1 HIS 59 HB3 -0.06 -0.01 0.03 -0.04 3.20 3.11 2fvzA1 HIS 59 HD2 -0.08 -0.06 0.03 -0.04 6.97 6.81 2fvzA1 HIS 59 HE1 -0.05 -0.02 0.00 -0.04 7.75 7.64 2fvzA1 LEU 60 H 0.03 0.64 -0.06 -0.55 8.37 8.44 2fvzA1 LEU 60 HA -0.00 -0.01 0.41 -0.75 4.35 3.99 2fvzA1 LEU 60 HB2 -0.00 0.22 0.18 -0.04 1.64 1.99 2fvzA1 LEU 60 HB3 -0.01 0.07 0.08 -0.04 1.64 1.73 2fvzA1 LEU 60 HG -0.00 -0.02 0.01 -0.04 1.64 1.59 2fvzA1 LEU 60 HD13 0.00 -0.01 -0.04 -0.04 0.93 0.84 2fvzA1 LEU 60 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 2fvzA1 VAL 61 H -0.04 0.89 -0.15 -0.55 8.24 8.38 2fvzA1 VAL 61 HA -0.01 0.01 0.43 -0.75 4.13 3.80 2fvzA1 VAL 61 HB -0.05 0.06 0.12 -0.04 2.12 2.20 2fvzA1 VAL 61 HG13 0.00 -0.01 -0.12 -0.04 0.97 0.80 2fvzA1 VAL 61 HG23 0.00 0.02 -0.06 -0.04 0.95 0.88 2fvzA1 GLU 62 H -0.05 0.92 0.10 -0.55 8.60 9.03 2fvzA1 GLU 62 HA -0.06 -0.08 0.50 -0.75 4.29 3.90 2fvzA1 GLU 62 HB2 -0.08 -0.13 0.12 -0.04 2.09 1.95 2fvzA1 GLU 62 HB3 -0.02 0.12 0.27 -0.04 1.99 2.32 2fvzA1 GLU 62 HG2 -0.06 0.07 -0.21 -0.04 2.34 2.11 2fvzA1 GLU 62 HG3 -0.10 -0.09 -0.08 -0.04 2.34 2.04 2fvzA1 ASP 63 H -0.03 1.01 0.04 -0.55 8.40 8.87 2fvzA1 ASP 63 HA -0.09 -0.03 0.32 -0.75 4.63 4.07 2fvzA1 ASP 63 HB2 -0.05 -0.05 0.06 -0.04 2.71 2.62 2fvzA1 ASP 63 HB3 -0.03 0.14 0.06 -0.04 2.70 2.82 2fvzA1 LEU 64 H -0.04 0.40 -0.42 -0.55 8.37 7.76 2fvzA1 LEU 64 HA -0.05 0.04 0.57 -0.75 4.35 4.16 2fvzA1 LEU 64 HB2 -0.03 0.29 0.19 -0.04 1.64 2.05 2fvzA1 LEU 64 HB3 -0.03 0.02 0.22 -0.04 1.64 1.80 2fvzA1 LEU 64 HG -0.02 -0.00 -0.01 -0.04 1.64 1.56 2fvzA1 LEU 64 HD13 -0.02 -0.02 -0.09 -0.04 0.93 0.75 2fvzA1 LEU 64 HD23 -0.04 -0.01 -0.02 -0.04 0.89 0.77 2fvzA1 ILE 65 H -0.05 0.60 0.07 -0.55 8.25 8.32 2fvzA1 ILE 65 HA -0.08 0.02 0.33 -0.75 4.18 3.70 2fvzA1 ILE 65 HB -0.04 0.07 0.18 -0.04 1.89 2.06 2fvzA1 ILE 65 HG12 -0.01 -0.05 -0.02 -0.04 1.49 1.37 2fvzA1 ILE 65 HG13 -0.02 0.25 0.16 -0.04 1.21 1.56 2fvzA1 ILE 65 HG23 -0.03 -0.03 -0.15 -0.04 0.93 0.68 2fvzA1 ILE 65 HD13 0.03 -0.04 -0.07 -0.04 0.88 0.77 2fvzA1 ILE 66 H -0.11 0.68 -0.06 -0.55 8.25 8.21 2fvzA1 ILE 66 HA -0.18 -0.01 0.15 -0.75 4.18 3.38 2fvzA1 ILE 66 HB -0.20 0.11 0.03 -0.04 1.89 1.79 2fvzA1 ILE 66 HG12 -0.06 -0.09 -0.04 -0.04 1.49 1.25 2fvzA1 ILE 66 HG13 -0.11 0.16 0.08 -0.04 1.21 1.30 2fvzA1 ILE 66 HG23 -0.68 0.00 -0.12 -0.04 0.93 0.08 2fvzA1 ILE 66 HD13 -0.18 -0.01 -0.05 -0.04 0.88 0.59 2fvzA1 SER 67 H -0.14 0.37 -0.32 -0.55 8.46 7.83 2fvzA1 SER 67 HA -0.15 0.04 0.57 -0.75 4.49 4.20 2fvzA1 SER 67 HB2 -0.09 -0.07 0.07 -0.04 3.95 3.82 2fvzA1 SER 67 HB3 -0.10 -0.04 0.14 -0.04 3.93 3.88 2fvzA1 GLU 68 H -0.12 0.40 -0.25 -0.55 8.60 8.08 2fvzA1 GLU 68 HA -0.12 0.11 0.47 -0.75 4.29 3.99 2fvzA1 GLU 68 HB2 -0.10 -0.02 0.03 -0.04 2.09 1.96 2fvzA1 GLU 68 HB3 -0.11 0.16 0.13 -0.04 1.99 2.13 2fvzA1 GLU 68 HG2 -0.15 -0.01 -0.31 -0.04 2.34 1.83 2fvzA1 GLU 68 HG3 -0.16 -0.03 -0.19 -0.04 2.34 1.91 2fvzA1 LEU 69 H -0.18 0.60 0.05 -0.55 8.37 8.30 2fvzA1 LEU 69 HA -0.35 0.03 0.50 -0.75 4.35 3.77 2fvzA1 LEU 69 HB2 -0.10 0.02 0.02 -0.04 1.64 1.54 2fvzA1 LEU 69 HB3 -0.71 -0.03 -0.04 -0.04 1.64 0.82 2fvzA1 LEU 69 HG -0.33 0.13 0.05 -0.04 1.64 1.45 2fvzA1 LEU 69 HD13 -0.85 -0.04 -0.12 -0.04 0.93 -0.11 2fvzA1 LEU 69 HD23 -0.69 -0.01 -0.10 -0.04 0.89 0.05 2fvzA1 ARG 70 H -0.07 0.37 -0.46 -0.55 8.46 7.75 2fvzA1 ARG 70 HA 0.28 0.07 0.27 -0.75 4.34 4.20 2fvzA1 ARG 70 HB2 -0.13 0.10 0.22 -0.04 1.90 2.05 2fvzA1 ARG 70 HB3 -0.05 -0.04 0.04 -0.04 1.80 1.71 2fvzA1 ARG 70 HG2 -0.34 -0.08 0.01 -0.04 1.67 1.22 2fvzA1 ARG 70 HG3 -0.44 0.11 0.03 -0.04 1.67 1.33 2fvzA1 ARG 70 HD2 -0.16 -0.06 -0.02 -0.04 3.22 2.94 2fvzA1 ARG 70 HD3 -0.05 0.01 -0.01 -0.04 3.22 3.13 2fvzA1 GLU 71 H -0.09 0.45 -0.05 -0.55 8.60 8.36 2fvzA1 GLU 71 HA -0.04 0.04 0.35 -0.75 4.29 3.88 2fvzA1 GLU 71 HB2 -0.04 -0.05 0.09 -0.04 2.09 2.05 2fvzA1 GLU 71 HB3 -0.08 0.11 0.12 -0.04 1.99 2.10 2fvzA1 GLU 71 HG2 -0.05 -0.00 0.20 -0.04 2.34 2.45 2fvzA1 GLU 71 HG3 -0.04 -0.05 0.07 -0.04 2.34 2.28 2fvzA1 ARG 72 H -0.27 0.14 -1.11 -0.55 8.46 6.67 2fvzA1 ARG 72 HA -0.30 0.06 0.78 -0.75 4.34 4.13 2fvzA1 ARG 72 HB2 -0.50 0.65 0.20 -0.04 1.90 2.21 2fvzA1 ARG 72 HB3 -1.71 -0.07 0.02 -0.04 1.80 -0.00 2fvzA1 ARG 72 HG2 -0.42 -0.08 0.01 -0.04 1.67 1.14 2fvzA1 ARG 72 HG3 -0.25 -0.00 0.08 -0.04 1.67 1.45 2fvzA1 ARG 72 HD2 -0.16 -0.03 -0.05 -0.04 3.22 2.95 2fvzA1 ARG 72 HD3 -0.29 -0.01 -0.10 -0.04 3.22 2.78 2fvzA1 PHE 73 H -0.37 0.76 0.03 -0.55 8.34 8.20 2fvzA1 PHE 73 HA -0.08 0.10 0.74 -0.75 4.62 4.64 2fvzA1 PHE 73 HB2 -0.71 -0.05 0.27 -0.04 3.15 2.62 2fvzA1 PHE 73 HB3 -0.81 -0.07 0.13 -0.04 3.06 2.27 2fvzA1 PHE 73 HD2 0.22 0.06 -0.04 -0.04 7.28 7.48 2fvzA1 PHE 73 HE2 0.25 -0.04 -0.09 -0.04 7.38 7.45 2fvzA1 PHE 73 HZ 0.24 0.01 -0.09 -0.04 7.32 7.43 2fvzA1 PRO 74 HA 0.10 0.15 0.09 -0.51 4.44 4.28 2fvzA1 PRO 74 HB2 0.07 -0.01 -0.04 -0.04 2.28 2.25 2fvzA1 PRO 74 HB3 0.03 -0.01 0.04 -0.04 2.02 2.04 2fvzA1 PRO 74 HG2 0.07 -0.03 0.02 -0.04 2.03 2.05 2fvzA1 PRO 74 HG3 0.04 0.04 0.01 -0.04 2.03 2.07 2fvzA1 PRO 74 HD2 0.07 0.07 0.04 -0.04 3.68 3.82 2fvzA1 PRO 74 HD3 -0.00 0.18 -0.27 -0.04 3.65 3.52 2fvzA1 SER 75 H 0.16 0.02 -0.50 -0.55 8.46 7.59 2fvzA1 SER 75 HA 0.16 0.17 0.70 -0.75 4.49 4.77 2fvzA1 SER 75 HB2 0.14 -0.02 0.12 -0.04 3.95 4.14 2fvzA1 SER 75 HB3 0.13 -0.04 0.01 -0.04 3.93 4.00 2fvzA1 HIS 76 H 0.35 0.59 -0.06 -0.55 8.41 8.75 2fvzA1 HIS 76 HA 0.13 0.05 0.67 -0.75 4.63 4.73 2fvzA1 HIS 76 HB2 0.40 0.19 0.13 -0.04 3.26 3.95 2fvzA1 HIS 76 HB3 0.24 0.01 0.12 -0.04 3.20 3.53 2fvzA1 HIS 76 HD2 0.23 -0.04 -0.13 -0.04 6.97 6.99 2fvzA1 HIS 76 HE1 -0.28 -0.08 -0.03 -0.04 7.75 7.32 2fvzA1 ARG 77 H -0.00 0.61 0.38 -0.55 8.46 8.89 2fvzA1 ARG 77 HA 0.23 0.23 0.94 -0.75 4.34 4.99 2fvzA1 ARG 77 HB2 -0.04 -0.09 -0.04 -0.04 1.90 1.68 2fvzA1 ARG 77 HB3 0.07 -0.00 0.15 -0.04 1.80 1.98 2fvzA1 ARG 77 HG2 -0.03 0.08 -0.14 -0.04 1.67 1.54 2fvzA1 ARG 77 HG3 -0.00 -0.12 -0.05 -0.04 1.67 1.46 2fvzA1 ARG 77 HD2 0.13 0.18 -0.37 -0.04 3.22 3.12 2fvzA1 ARG 77 HD3 0.09 0.13 -0.15 -0.04 3.22 3.25 2fvzA1 PHE 78 H 0.27 0.26 0.24 -0.55 8.34 8.56 2fvzA1 PHE 78 HA 0.22 0.20 1.01 -0.75 4.62 5.30 2fvzA1 PHE 78 HB2 0.07 0.02 0.03 -0.04 3.15 3.23 2fvzA1 PHE 78 HB3 0.08 -0.11 0.03 -0.04 3.06 3.02 2fvzA1 PHE 78 HD2 0.11 -0.05 -0.19 -0.04 7.28 7.11 2fvzA1 PHE 78 HE2 -0.09 0.05 -0.16 -0.04 7.38 7.14 2fvzA1 PHE 78 HZ -0.14 -0.04 -0.42 -0.04 7.32 6.68 2fvzA1 ILE 79 H 0.26 0.41 0.21 -0.55 8.25 8.58 2fvzA1 ILE 79 HA 0.18 0.17 0.47 -0.75 4.18 4.24 2fvzA1 ILE 79 HB 0.15 -0.03 0.08 -0.04 1.89 2.05 2fvzA1 ILE 79 HG12 0.14 0.07 0.09 -0.04 1.49 1.74 2fvzA1 ILE 79 HG13 0.09 0.11 -0.43 -0.04 1.21 0.94 2fvzA1 ILE 79 HG23 0.38 -0.02 -0.06 -0.04 0.93 1.18 2fvzA1 ILE 79 HD13 0.05 -0.02 -0.32 -0.04 0.88 0.54 2fvzA1 ALA 80 H -0.01 0.24 0.07 -0.55 8.40 8.16 2fvzA1 ALA 80 HA -0.42 0.23 0.84 -0.75 4.34 4.25 2fvzA1 ALA 80 HB3 -0.22 -0.05 0.12 -0.04 1.41 1.21 2fvzA1 GLU 81 H -1.57 0.13 0.19 -0.55 8.60 6.80 2fvzA1 GLU 81 HA -1.53 0.09 0.36 -0.75 4.29 2.45 2fvzA1 GLU 81 HB2 -0.90 -0.06 0.17 -0.04 2.09 1.26 2fvzA1 GLU 81 HB3 -0.55 -0.07 0.21 -0.04 1.99 1.53 2fvzA1 GLU 81 HG2 -0.18 0.05 -0.20 -0.04 2.34 1.98 2fvzA1 GLU 81 HG3 -0.06 0.03 0.05 -0.04 2.34 2.32 2fvzA1 GLU 82 H -0.36 0.04 -0.07 -0.55 8.60 7.67 2fvzA1 GLU 82 HA -0.12 0.23 0.39 -0.75 4.29 4.03 2fvzA1 GLU 82 HB2 -0.09 0.00 0.05 -0.04 2.09 2.01 2fvzA1 GLU 82 HB3 -0.05 0.08 0.05 -0.04 1.99 2.03 2fvzA1 GLU 82 HG2 -0.17 -0.09 0.05 -0.04 2.34 2.09 2fvzA1 GLU 82 HG3 -0.00 0.04 0.01 -0.04 2.34 2.34 2fvzA1 ALA 88 HA 0.06 -0.11 0.25 -0.75 4.34 3.79 2fvzA1 ALA 88 HB3 0.03 -0.03 0.03 -0.04 1.41 1.41 2fvzA1 LYS 89 H 0.08 0.02 -0.03 -0.55 8.42 7.93 2fvzA1 LYS 89 HA 0.08 0.12 0.26 -0.75 4.32 4.03 2fvzA1 CYS 90 H 0.02 0.18 -0.02 -0.55 8.50 8.14 2fvzA1 CYS 90 HA 0.10 0.22 0.51 -0.75 4.58 4.66 2fvzA1 CYS 90 HB2 -0.05 0.05 0.03 -0.04 2.97 2.96 2fvzA1 CYS 90 HB3 -0.02 -0.03 0.10 -0.04 2.97 2.98 2fvzA1 VAL 91 H 0.05 0.20 -0.15 -0.55 8.24 7.80 2fvzA1 VAL 91 HA 0.01 0.09 0.54 -0.75 4.13 4.02 2fvzA1 VAL 91 HB 0.04 0.02 0.12 -0.04 2.12 2.25 2fvzA1 VAL 91 HG13 0.02 0.01 -0.16 -0.04 0.97 0.80 2fvzA1 VAL 91 HG23 0.02 -0.01 -0.07 -0.04 0.95 0.85 2fvzA1 LEU 92 H -0.02 0.21 0.15 -0.55 8.37 8.16 2fvzA1 LEU 92 HA -0.04 0.04 0.50 -0.75 4.35 4.09 2fvzA1 LEU 92 HB2 -0.07 -0.05 -0.04 -0.04 1.64 1.44 2fvzA1 LEU 92 HB3 -0.07 -0.02 0.14 -0.04 1.64 1.66 2fvzA1 LEU 92 HG -0.15 0.33 -0.25 -0.04 1.64 1.53 2fvzA1 LEU 92 HD13 -0.20 -0.04 -0.15 -0.04 0.93 0.50 2fvzA1 LEU 92 HD23 -0.16 -0.03 -0.17 -0.04 0.89 0.48 2fvzA1 THR 93 H -0.04 0.12 0.11 -0.55 8.28 7.92 2fvzA1 THR 93 HA 0.05 0.17 0.53 -0.75 4.39 4.38 2fvzA1 THR 93 HB 0.04 -0.16 0.25 -0.04 4.32 4.41 2fvzA1 THR 93 HG23 0.02 0.05 0.04 -0.04 1.22 1.29 2fvzA1 HIS 94 H 0.09 0.12 0.15 -0.55 8.41 8.23 2fvzA1 HIS 94 HA -0.09 0.12 0.81 -0.75 4.63 4.71 2fvzA1 HIS 94 HB2 -0.03 0.00 0.05 -0.04 3.26 3.24 2fvzA1 HIS 94 HB3 -0.04 0.01 0.06 -0.04 3.20 3.19 2fvzA1 HIS 94 HD2 -0.04 -0.05 -0.36 -0.04 6.97 6.47 2fvzA1 HIS 94 HE1 -0.03 0.03 -0.05 -0.04 7.75 7.66 2fvzA1 SER 95 H -0.03 -0.04 0.04 -0.55 8.46 7.88 2fvzA1 SER 95 HA -0.06 0.18 0.72 -0.75 4.49 4.57 2fvzA1 SER 95 HB2 -0.05 0.04 -0.05 -0.04 3.95 3.85 2fvzA1 SER 95 HB3 -0.00 0.12 0.13 -0.04 3.93 4.13 2fvzA1 PRO 96 HA -0.90 0.27 0.65 -0.51 4.44 3.94 2fvzA1 PRO 96 HB2 -0.91 -0.00 0.20 -0.04 2.28 1.53 2fvzA1 PRO 96 HB3 -0.83 0.04 0.13 -0.04 2.02 1.31 2fvzA1 PRO 96 HG2 0.04 0.06 0.12 -0.04 2.03 2.21 2fvzA1 PRO 96 HG3 -0.21 0.03 0.16 -0.04 2.03 1.96 2fvzA1 PRO 96 HD2 -0.05 0.15 0.23 -0.04 3.68 3.97 2fvzA1 PRO 96 HD3 -0.06 0.12 0.29 -0.04 3.65 3.97 2fvzA1 THR 97 H -1.09 0.55 0.40 -0.55 8.28 7.59 2fvzA1 THR 97 HA -0.33 0.19 0.92 -0.75 4.39 4.42 2fvzA1 THR 97 HB -0.41 -0.08 0.01 -0.04 4.32 3.80 2fvzA1 THR 97 HG23 -0.11 -0.03 -0.47 -0.04 1.22 0.57 2fvzA1 TRP 98 H -0.14 0.96 0.35 -0.55 7.97 8.60 2fvzA1 TRP 98 HA -0.13 0.20 1.04 -0.75 4.62 4.98 2fvzA1 TRP 98 HB2 -0.69 0.02 0.20 -0.04 3.23 2.73 2fvzA1 TRP 98 HB3 0.02 -0.06 0.01 -0.04 3.23 3.15 2fvzA1 TRP 98 HD1 -0.47 0.19 -0.01 -0.04 7.22 6.88 2fvzA1 TRP 98 HE1 0.70 0.04 -0.06 -0.04 10.20 10.85 2fvzA1 TRP 98 HE3 0.17 -0.01 -0.08 -0.04 7.59 7.63 2fvzA1 TRP 98 HZ2 0.16 -0.01 -0.05 -0.04 7.44 7.49 2fvzA1 TRP 98 HZ3 0.33 -0.04 -0.13 -0.04 7.13 7.25 2fvzA1 TRP 98 HH2 0.27 0.18 -0.08 -0.04 7.19 7.52 2fvzA1 ILE 99 H 0.13 0.77 0.21 -0.55 8.25 8.82 2fvzA1 ILE 99 HA 0.19 0.20 1.03 -0.75 4.18 4.85 2fvzA1 ILE 99 HB 0.04 -0.12 0.09 -0.04 1.89 1.86 2fvzA1 ILE 99 HG12 0.02 0.05 -0.25 -0.04 1.49 1.28 2fvzA1 ILE 99 HG13 -0.10 -0.01 -0.67 -0.04 1.21 0.39 2fvzA1 ILE 99 HG23 0.18 0.01 -0.11 -0.04 0.93 0.98 2fvzA1 ILE 99 HD13 -0.11 -0.02 -0.20 -0.04 0.88 0.51 2fvzA1 ILE 100 H 0.21 0.40 0.07 -0.55 8.25 8.37 2fvzA1 ILE 100 HA 0.20 0.29 0.77 -0.75 4.18 4.69 2fvzA1 ILE 100 HB 0.12 -0.05 0.01 -0.04 1.89 1.93 2fvzA1 ILE 100 HG12 0.36 0.02 -0.26 -0.04 1.49 1.57 2fvzA1 ILE 100 HG13 0.39 -0.04 -0.28 -0.04 1.21 1.24 2fvzA1 ILE 100 HG23 0.07 -0.00 -0.17 -0.04 0.93 0.79 2fvzA1 ILE 100 HD13 0.18 0.02 -0.12 -0.04 0.88 0.93 2fvzA1 ASP 101 H 0.14 0.73 0.32 -0.55 8.40 9.04 2fvzA1 ASP 101 HA -0.10 0.08 0.70 -0.75 4.63 4.56 2fvzA1 ASP 101 HB2 0.38 -0.01 -0.16 -0.04 2.71 2.88 2fvzA1 ASP 101 HB3 0.18 -0.01 0.12 -0.04 2.70 2.94 2fvzA1 PRO 102 HA 0.02 0.08 0.31 -0.51 4.44 4.34 2fvzA1 PRO 102 HB2 -0.07 -0.02 0.10 -0.04 2.28 2.24 2fvzA1 PRO 102 HB3 -0.04 0.06 -0.08 -0.04 2.02 1.92 2fvzA1 PRO 102 HG2 -0.12 0.05 0.09 -0.04 2.03 2.01 2fvzA1 PRO 102 HG3 -0.07 0.09 0.04 -0.04 2.03 2.05 2fvzA1 PRO 102 HD2 -0.16 0.06 0.17 -0.04 3.68 3.71 2fvzA1 PRO 102 HD3 -0.15 0.17 -0.04 -0.04 3.65 3.59 2fvzA1 ILE 103 H -0.03 0.10 -0.08 -0.55 8.25 7.69 2fvzA1 ILE 103 HA 0.04 0.41 0.96 -0.75 4.18 4.84 2fvzA1 ILE 103 HB -0.06 -0.10 0.09 -0.04 1.89 1.78 2fvzA1 ILE 103 HG12 -0.04 0.14 -0.46 -0.04 1.49 1.08 2fvzA1 ILE 103 HG13 -0.11 -0.10 -0.07 -0.04 1.21 0.89 2fvzA1 ILE 103 HG23 0.02 0.01 -0.19 -0.04 0.93 0.72 2fvzA1 ILE 103 HD13 -0.25 0.01 -0.21 -0.04 0.88 0.39 2fvzA1 ASP 104 H 0.07 1.23 0.30 -0.55 8.40 9.45 2fvzA1 ASP 104 HA 0.08 0.05 1.01 -0.75 4.63 5.03 2fvzA1 ASP 104 HB2 0.10 0.05 -0.03 -0.04 2.71 2.79 2fvzA1 ASP 104 HB3 0.05 0.02 0.07 -0.04 2.70 2.80 2fvzA1 GLY 105 H 0.07 -0.05 0.22 -0.55 8.43 8.13 2fvzA1 GLY 105 HA2 0.07 0.28 0.54 -0.51 4.01 4.39 2fvzA1 GLY 105 HA3 0.08 0.36 1.02 -0.51 4.01 4.96 2fvzA1 THR 106 H 0.07 -0.03 0.18 -0.55 8.28 7.95 2fvzA1 THR 106 HA 0.04 0.12 0.35 -0.75 4.39 4.14 2fvzA1 THR 106 HB 0.05 -0.10 0.24 -0.04 4.32 4.46 2fvzA1 THR 106 HG23 0.02 0.04 -0.09 -0.04 1.22 1.15 2fvzA1 CYS 107 H 0.07 0.05 0.01 -0.55 8.50 8.07 2fvzA1 CYS 107 HA 0.13 0.10 0.36 -0.75 4.58 4.41 2fvzA1 CYS 107 HB2 0.04 -0.00 0.12 -0.04 2.97 3.09 2fvzA1 CYS 107 HB3 0.02 -0.05 0.10 -0.04 2.97 3.00 2fvzA1 ASN 108 H 0.10 0.02 -0.21 -0.55 8.53 7.90 2fvzA1 ASN 108 HA 0.17 -0.01 0.40 -0.75 4.76 4.56 2fvzA1 ASN 108 HB2 0.15 -0.00 0.16 -0.04 2.88 3.15 2fvzA1 ASN 108 HB3 0.23 0.33 0.02 -0.04 2.79 3.32 2fvzA1 ASN 108 HD21 0.29 0.47 0.25 -0.04 7.03 8.00 2fvzA1 ASN 108 HD22 0.19 0.35 0.17 -0.04 7.74 8.41 2fvzA1 PHE 109 H 0.27 0.52 -0.25 -0.55 8.34 8.32 2fvzA1 PHE 109 HA 0.07 0.02 0.33 -0.75 4.62 4.29 2fvzA1 PHE 109 HB2 0.04 -0.03 0.08 -0.04 3.15 3.20 2fvzA1 PHE 109 HB3 0.04 0.10 0.14 -0.04 3.06 3.29 2fvzA1 PHE 109 HD2 0.02 -0.01 -0.27 -0.04 7.28 6.98 2fvzA1 PHE 109 HE2 0.02 -0.01 -0.12 -0.04 7.38 7.23 2fvzA1 PHE 109 HZ 0.01 -0.03 -0.16 -0.04 7.32 7.10 2fvzA1 VAL 110 H 0.26 0.31 -0.10 -0.55 8.24 8.17 2fvzA1 VAL 110 HA 0.21 0.05 0.19 -0.75 4.13 3.83 2fvzA1 VAL 110 HB 0.04 -0.01 0.09 -0.04 2.12 2.19 2fvzA1 VAL 110 HG13 0.11 0.03 0.05 -0.04 0.97 1.11 2fvzA1 VAL 110 HG23 0.16 0.11 0.09 -0.04 0.95 1.28 2fvzA1 HIS 111 H 0.30 0.39 -0.08 -0.55 8.41 8.48 2fvzA1 HIS 111 HA 0.05 0.13 0.72 -0.75 4.63 4.77 2fvzA1 HIS 111 HB2 0.08 -0.04 0.06 -0.04 3.26 3.32 2fvzA1 HIS 111 HB3 0.07 -0.00 0.13 -0.04 3.20 3.36 2fvzA1 HIS 111 HD2 0.02 0.02 0.03 -0.04 6.97 6.99 2fvzA1 HIS 111 HE1 0.00 -0.05 -0.01 -0.04 7.75 7.64 2fvzA1 ARG 112 H 0.08 0.46 -0.74 -0.55 8.46 7.70 2fvzA1 ARG 112 HA -0.09 0.02 0.30 -0.75 4.34 3.82 2fvzA1 ARG 112 HB2 0.01 0.06 0.10 -0.04 1.90 2.04 2fvzA1 ARG 112 HB3 -0.06 -0.09 0.19 -0.04 1.80 1.80 2fvzA1 ARG 112 HG2 -0.02 -0.01 -0.22 -0.04 1.67 1.38 2fvzA1 ARG 112 HG3 -0.04 -0.01 -0.00 -0.04 1.67 1.58 2fvzA1 ARG 112 HD2 -0.19 -0.07 0.14 -0.04 3.22 3.05 2fvzA1 ARG 112 HD3 -0.24 0.12 0.12 -0.04 3.22 3.18 2fvzA1 PHE 113 H 0.26 0.29 -0.31 -0.55 8.34 8.03 2fvzA1 PHE 113 HA 0.02 0.15 0.68 -0.75 4.62 4.72 2fvzA1 PHE 113 HB2 0.03 0.01 0.08 -0.04 3.15 3.23 2fvzA1 PHE 113 HB3 0.03 -0.20 0.16 -0.04 3.06 3.01 2fvzA1 PHE 113 HD2 0.01 0.02 -0.03 -0.04 7.28 7.24 2fvzA1 PHE 113 HE2 0.02 0.00 -0.01 -0.04 7.38 7.35 2fvzA1 PHE 113 HZ 0.02 -0.01 -0.02 -0.04 7.32 7.27 2fvzA1 PRO 114 HA -0.05 0.05 0.05 -0.51 4.44 3.99 2fvzA1 PRO 114 HB2 -0.07 -0.07 0.22 -0.04 2.28 2.31 2fvzA1 PRO 114 HB3 -0.09 0.10 0.09 -0.04 2.02 2.08 2fvzA1 PRO 114 HG2 -0.32 -0.03 0.00 -0.04 2.03 1.64 2fvzA1 PRO 114 HG3 -0.19 0.06 0.08 -0.04 2.03 1.94 2fvzA1 PRO 114 HD2 -0.80 0.02 0.15 -0.04 3.68 3.01 2fvzA1 PRO 114 HD3 -0.18 0.45 0.34 -0.04 3.65 4.22 2fvzA1 THR 115 H 0.06 0.86 -0.11 -0.55 8.28 8.54 2fvzA1 THR 115 HA -0.05 0.10 0.78 -0.75 4.39 4.47 2fvzA1 THR 115 HB 0.20 0.06 0.13 -0.04 4.32 4.68 2fvzA1 THR 115 HG23 -0.04 -0.04 -0.12 -0.04 1.22 0.98 2fvzA1 VAL 116 H -0.05 0.15 0.02 -0.55 8.24 7.81 2fvzA1 VAL 116 HA 0.05 0.28 0.96 -0.75 4.13 4.67 2fvzA1 VAL 116 HB 0.07 -0.06 -0.04 -0.04 2.12 2.05 2fvzA1 VAL 116 HG13 0.23 -0.01 -0.16 -0.04 0.97 0.98 2fvzA1 VAL 116 HG23 0.12 0.06 -0.22 -0.04 0.95 0.86 2fvzA1 ALA 117 H 0.06 0.31 0.29 -0.55 8.40 8.51 2fvzA1 ALA 117 HA 0.04 0.22 1.03 -0.75 4.34 4.88 2fvzA1 ALA 117 HB3 -0.02 -0.01 -0.17 -0.04 1.41 1.17 2fvzA1 VAL 118 H 0.15 0.36 0.35 -0.55 8.24 8.55 2fvzA1 VAL 118 HA 0.10 0.30 0.82 -0.75 4.13 4.60 2fvzA1 VAL 118 HB 0.16 -0.08 0.17 -0.04 2.12 2.33 2fvzA1 VAL 118 HG13 0.09 0.02 0.07 -0.04 0.97 1.10 2fvzA1 VAL 118 HG23 0.14 0.05 0.03 -0.04 0.95 1.14 2fvzA1 SER 119 H 0.12 0.55 0.20 -0.55 8.46 8.78 2fvzA1 SER 119 HA 0.15 0.31 1.06 -0.75 4.49 5.25 2fvzA1 SER 119 HB2 0.10 -0.01 -0.09 -0.04 3.95 3.91 2fvzA1 SER 119 HB3 0.13 -0.05 0.07 -0.04 3.93 4.03 2fvzA1 ILE 120 H 0.20 0.85 0.28 -0.55 8.25 9.02 2fvzA1 ILE 120 HA 0.25 0.16 1.08 -0.75 4.18 4.92 2fvzA1 ILE 120 HB 0.30 0.04 0.20 -0.04 1.89 2.38 2fvzA1 ILE 120 HG12 0.21 -0.02 -0.08 -0.04 1.49 1.56 2fvzA1 ILE 120 HG13 0.17 -0.09 -0.34 -0.04 1.21 0.91 2fvzA1 ILE 120 HG23 0.65 -0.01 -0.15 -0.04 0.93 1.38 2fvzA1 ILE 120 HD13 0.13 0.03 -0.03 -0.04 0.88 0.98 2fvzA1 GLY 121 H 0.17 0.64 0.27 -0.55 8.43 8.96 2fvzA1 GLY 121 HA2 0.02 0.21 0.98 -0.51 4.01 4.71 2fvzA1 GLY 121 HA3 0.01 -0.09 0.36 -0.51 4.01 3.77 2fvzA1 PHE 122 H -0.38 0.74 0.33 -0.55 8.34 8.48 2fvzA1 PHE 122 HA -0.74 0.29 1.02 -0.75 4.62 4.43 2fvzA1 PHE 122 HB2 -1.90 0.02 -0.21 -0.04 3.15 1.03 2fvzA1 PHE 122 HB3 -2.40 -0.15 0.08 -0.04 3.06 0.55 2fvzA1 PHE 122 HD2 -1.80 -0.08 -0.16 -0.04 7.28 5.19 2fvzA1 PHE 122 HE2 -1.48 0.01 -0.16 -0.04 7.38 5.71 2fvzA1 PHE 122 HZ -1.31 -0.01 -0.04 -0.04 7.32 5.92 2fvzA1 ALA 123 H -1.21 0.71 0.36 -0.55 8.40 7.72 2fvzA1 ALA 123 HA -0.51 0.07 1.21 -0.75 4.34 4.36 2fvzA1 ALA 123 HB3 -0.41 -0.01 -0.09 -0.04 1.41 0.86 2fvzA1 VAL 124 H -0.42 0.57 0.27 -0.55 8.24 8.11 2fvzA1 VAL 124 HA -0.55 0.12 0.44 -0.75 4.13 3.39 2fvzA1 VAL 124 HB -0.22 0.05 -0.05 -0.04 2.12 1.86 2fvzA1 VAL 124 HG13 -0.31 0.00 0.08 -0.04 0.97 0.69 2fvzA1 VAL 124 HG23 -0.89 0.02 -0.18 -0.04 0.95 -0.14 2fvzA1 ARG 125 H -0.21 0.35 0.03 -0.55 8.46 8.07 2fvzA1 ARG 125 HA -0.13 0.15 0.42 -0.75 4.34 4.02 2fvzA1 ARG 125 HB2 -0.09 0.13 -0.15 -0.04 1.90 1.76 2fvzA1 ARG 125 HB3 -0.05 0.01 0.22 -0.04 1.80 1.93 2fvzA1 ARG 125 HG2 0.02 -0.06 -0.07 -0.04 1.67 1.52 2fvzA1 ARG 125 HG3 0.04 0.01 -0.01 -0.04 1.67 1.67 2fvzA1 ARG 125 HD2 0.06 0.15 0.14 -0.04 3.22 3.52 2fvzA1 ARG 125 HD3 0.08 -0.02 0.04 -0.04 3.22 3.27 2fvzA1 GLN 126 H -0.37 0.05 -0.25 -0.55 8.47 7.35 2fvzA1 GLN 126 HA -0.31 0.01 0.17 -0.75 4.36 3.48 2fvzA1 GLN 126 HB2 -1.41 -0.13 -0.24 -0.04 2.15 0.33 2fvzA1 GLN 126 HB3 -0.42 0.02 0.23 -0.04 2.02 1.80 2fvzA1 GLN 126 HG2 -0.16 -0.15 0.05 -0.04 2.40 2.09 2fvzA1 GLN 126 HG3 -0.18 0.60 -0.03 -0.04 2.39 2.75 2fvzA1 GLN 126 HE21 0.10 -0.12 0.00 -0.04 6.97 6.91 2fvzA1 GLN 126 HE22 0.05 0.52 0.16 -0.04 7.69 8.38 2fvzA1 GLU 127 H -0.27 0.23 -0.52 -0.55 8.60 7.49 2fvzA1 GLU 127 HA -0.14 0.10 0.63 -0.75 4.29 4.12 2fvzA1 GLU 127 HB2 -0.13 0.16 -0.09 -0.04 2.09 1.98 2fvzA1 GLU 127 HB3 -0.12 -0.04 -0.10 -0.04 1.99 1.69 2fvzA1 GLU 127 HG2 -0.06 -0.01 0.01 -0.04 2.34 2.24 2fvzA1 GLU 127 HG3 -0.07 -0.06 0.08 -0.04 2.34 2.24 2fvzA1 LEU 128 H -0.11 0.17 0.08 -0.55 8.37 7.96 2fvzA1 LEU 128 HA -0.22 0.03 0.68 -0.75 4.35 4.09 2fvzA1 LEU 128 HB2 -0.08 0.01 0.12 -0.04 1.64 1.65 2fvzA1 LEU 128 HB3 -0.10 0.05 -0.08 -0.04 1.64 1.48 2fvzA1 LEU 128 HG -0.12 -0.02 -0.11 -0.04 1.64 1.35 2fvzA1 LEU 128 HD13 -0.06 0.03 -0.05 -0.04 0.93 0.80 2fvzA1 LEU 128 HD23 -0.15 -0.01 -0.18 -0.04 0.89 0.51 2fvzA1 GLU 129 H -0.27 0.58 0.63 -0.55 8.60 8.99 2fvzA1 GLU 129 HA -0.04 0.08 0.55 -0.75 4.29 4.13 2fvzA1 GLU 129 HB2 -0.26 -0.11 0.03 -0.04 2.09 1.72 2fvzA1 GLU 129 HB3 -0.03 -0.12 0.13 -0.04 1.99 1.92 2fvzA1 GLU 129 HG2 -0.17 -0.02 -0.04 -0.04 2.34 2.07 2fvzA1 GLU 129 HG3 0.19 -0.00 -0.07 -0.04 2.34 2.42 2fvzA1 PHE 130 H -0.29 0.15 0.28 -0.55 8.34 7.93 2fvzA1 PHE 130 HA 0.05 0.43 1.19 -0.75 4.62 5.53 2fvzA1 PHE 130 HB2 0.27 0.04 0.17 -0.04 3.15 3.58 2fvzA1 PHE 130 HB3 0.05 -0.01 0.02 -0.04 3.06 3.08 2fvzA1 PHE 130 HD2 0.10 0.04 -0.18 -0.04 7.28 7.19 2fvzA1 PHE 130 HE2 -0.47 0.01 -0.15 -0.04 7.38 6.72 2fvzA1 PHE 130 HZ -0.72 0.03 -0.32 -0.04 7.32 6.27 2fvzA1 GLY 131 H 0.42 0.54 0.35 -0.55 8.43 9.19 2fvzA1 GLY 131 HA2 0.22 0.11 0.76 -0.51 4.01 4.60 2fvzA1 GLY 131 HA3 0.18 0.04 0.38 -0.51 4.01 4.10 2fvzA1 VAL 132 H 0.26 0.50 0.18 -0.55 8.24 8.63 2fvzA1 VAL 132 HA 0.25 0.40 0.99 -0.75 4.13 5.01 2fvzA1 VAL 132 HB 0.19 -0.06 0.11 -0.04 2.12 2.32 2fvzA1 VAL 132 HG13 0.06 -0.01 -0.21 -0.04 0.97 0.77 2fvzA1 VAL 132 HG23 0.07 -0.01 -0.23 -0.04 0.95 0.73 2fvzA1 ILE 133 H 0.26 0.90 0.25 -0.55 8.25 9.11 2fvzA1 ILE 133 HA 0.19 0.33 1.21 -0.75 4.18 5.15 2fvzA1 ILE 133 HB 0.21 0.03 0.07 -0.04 1.89 2.15 2fvzA1 ILE 133 HG12 0.10 -0.04 -0.15 -0.04 1.49 1.36 2fvzA1 ILE 133 HG13 0.14 -0.08 -0.50 -0.04 1.21 0.73 2fvzA1 ILE 133 HG23 0.09 0.01 -0.31 -0.04 0.93 0.68 2fvzA1 ILE 133 HD13 -0.00 -0.02 -0.27 -0.04 0.88 0.55 2fvzA1 TYR 134 H 0.28 0.40 0.26 -0.55 8.29 8.68 2fvzA1 TYR 134 HA 0.14 0.23 0.82 -0.75 4.56 5.00 2fvzA1 TYR 134 HB2 0.08 -0.02 -0.10 -0.04 3.06 2.98 2fvzA1 TYR 134 HB3 0.09 -0.06 0.14 -0.04 2.98 3.11 2fvzA1 TYR 134 HD2 0.06 -0.03 -0.22 -0.04 7.15 6.91 2fvzA1 TYR 134 HE2 0.02 0.04 -0.27 -0.04 6.85 6.61 2fvzA1 HIS 135 H 0.10 0.68 0.20 -0.55 8.41 8.84 2fvzA1 HIS 135 HA -0.07 0.20 0.87 -0.75 4.63 4.88 2fvzA1 HIS 135 HB2 0.14 0.10 0.12 -0.04 3.26 3.58 2fvzA1 HIS 135 HB3 -0.10 -0.20 0.19 -0.04 3.20 3.06 2fvzA1 HIS 135 HD2 0.09 0.06 -0.03 -0.04 6.97 7.05 2fvzA1 HIS 135 HE1 -0.05 0.32 0.09 -0.04 7.75 8.06 2fvzA1 CYS 136 H -0.03 0.41 0.15 -0.55 8.50 8.48 2fvzA1 CYS 136 HA -0.42 0.05 0.19 -0.75 4.58 3.64 2fvzA1 CYS 136 HB2 0.05 -0.04 -0.01 -0.04 2.97 2.93 2fvzA1 CYS 136 HB3 0.06 0.10 0.00 -0.04 2.97 3.09 2fvzA1 THR 137 H 0.17 0.05 -0.15 -0.55 8.28 7.80 2fvzA1 THR 137 HA -0.05 0.11 0.40 -0.75 4.39 4.09 2fvzA1 THR 137 HB 0.09 -0.09 0.12 -0.04 4.32 4.40 2fvzA1 THR 137 HG23 -0.08 0.04 -0.06 -0.04 1.22 1.07 2fvzA1 GLU 138 H -0.88 0.01 -0.10 -0.55 8.60 7.09 2fvzA1 GLU 138 HA -0.22 0.15 0.37 -0.75 4.29 3.84 2fvzA1 GLU 138 HB2 -0.51 -0.06 -0.03 -0.04 2.09 1.45 2fvzA1 GLU 138 HB3 -0.24 0.05 0.08 -0.04 1.99 1.84 2fvzA1 GLU 138 HG2 -1.43 -0.10 0.07 -0.04 2.34 0.84 2fvzA1 GLU 138 HG3 -0.52 -0.00 0.01 -0.04 2.34 1.79 2fvzA1 GLU 139 H -0.29 0.30 -0.63 -0.55 8.60 7.44 2fvzA1 GLU 139 HA -0.20 0.00 0.20 -0.75 4.29 3.53 2fvzA1 GLU 139 HB2 -0.03 0.20 -0.24 -0.04 2.09 1.98 2fvzA1 GLU 139 HB3 0.08 -0.11 0.21 -0.04 1.99 2.13 2fvzA1 GLU 139 HG2 0.15 -0.05 -0.00 -0.04 2.34 2.40 2fvzA1 GLU 139 HG3 -0.01 0.20 -0.11 -0.04 2.34 2.37 2fvzA1 ARG 140 H -0.18 0.15 -0.12 -0.55 8.46 7.76 2fvzA1 ARG 140 HA -0.05 0.23 0.94 -0.75 4.34 4.71 2fvzA1 ARG 140 HB2 -0.20 -0.12 0.08 -0.04 1.90 1.62 2fvzA1 ARG 140 HB3 -0.31 0.07 -0.06 -0.04 1.80 1.45 2fvzA1 ARG 140 HG2 -0.09 0.23 -0.29 -0.04 1.67 1.48 2fvzA1 ARG 140 HG3 -0.16 -0.16 -0.27 -0.04 1.67 1.04 2fvzA1 ARG 140 HD2 0.21 -0.08 -0.06 -0.04 3.22 3.24 2fvzA1 ARG 140 HD3 0.03 0.06 -0.08 -0.04 3.22 3.19 2fvzA1 LEU 141 H 0.10 0.24 0.01 -0.55 8.37 8.18 2fvzA1 LEU 141 HA 0.30 0.04 0.58 -0.75 4.35 4.51 2fvzA1 LEU 141 HB2 0.08 0.04 0.11 -0.04 1.64 1.82 2fvzA1 LEU 141 HB3 0.06 -0.03 0.04 -0.04 1.64 1.67 2fvzA1 LEU 141 HG -0.09 0.02 -0.07 -0.04 1.64 1.46 2fvzA1 LEU 141 HD13 -0.01 0.00 -0.10 -0.04 0.93 0.78 2fvzA1 LEU 141 HD23 0.10 0.01 -0.16 -0.04 0.89 0.79 2fvzA1 TYR 142 H 0.29 0.80 0.32 -0.55 8.29 9.15 2fvzA1 TYR 142 HA 0.15 0.33 1.06 -0.75 4.56 5.34 2fvzA1 TYR 142 HB2 0.11 -0.04 0.23 -0.04 3.06 3.32 2fvzA1 TYR 142 HB3 0.11 0.00 -0.05 -0.04 2.98 3.00 2fvzA1 TYR 142 HD2 0.09 0.11 -0.05 -0.04 7.15 7.27 2fvzA1 TYR 142 HE2 0.10 -0.00 -0.10 -0.04 6.85 6.80 2fvzA1 THR 143 H 0.28 0.68 0.32 -0.55 8.28 9.01 2fvzA1 THR 143 HA 0.31 0.31 1.08 -0.75 4.39 5.33 2fvzA1 THR 143 HB 0.43 -0.01 0.03 -0.04 4.32 4.73 2fvzA1 THR 143 HG23 0.27 -0.02 -0.18 -0.04 1.22 1.24 2fvzA1 GLY 144 H 0.33 0.36 0.21 -0.55 8.43 8.78 2fvzA1 GLY 144 HA2 0.16 0.30 0.61 -0.51 4.01 4.56 2fvzA1 GLY 144 HA3 0.14 -0.04 0.21 -0.51 4.01 3.82 2fvzA1 ARG 145 H 0.08 0.46 0.11 -0.55 8.46 8.56 2fvzA1 ARG 145 HA 0.10 0.18 1.07 -0.75 4.34 4.93 2fvzA1 ARG 145 HB2 -0.03 0.01 -0.06 -0.04 1.90 1.78 2fvzA1 ARG 145 HB3 -0.07 0.01 0.06 -0.04 1.80 1.77 2fvzA1 ARG 145 HG2 -0.15 -0.07 -0.10 -0.04 1.67 1.31 2fvzA1 ARG 145 HG3 -0.28 0.06 -0.05 -0.04 1.67 1.36 2fvzA1 ARG 145 HD2 -0.49 -0.03 -0.12 -0.04 3.22 2.55 2fvzA1 ARG 145 HD3 -2.00 -0.02 -0.10 -0.04 3.22 1.06 2fvzA1 ARG 146 H 0.06 0.48 0.27 -0.55 8.46 8.72 2fvzA1 ARG 146 HA 0.02 -0.01 0.56 -0.75 4.34 4.16 2fvzA1 ARG 146 HB2 0.02 0.22 0.34 -0.04 1.90 2.44 2fvzA1 ARG 146 HB3 0.04 -0.07 0.19 -0.04 1.80 1.91 2fvzA1 ARG 146 HG2 0.01 -0.02 -0.09 -0.04 1.67 1.53 2fvzA1 ARG 146 HG3 0.00 -0.03 0.10 -0.04 1.67 1.71 2fvzA1 ARG 146 HD2 -0.02 0.12 0.01 -0.04 3.22 3.29 2fvzA1 ARG 146 HD3 0.00 -0.04 -0.01 -0.04 3.22 3.13 2fvzA1 GLY 147 H 0.02 0.16 0.28 -0.55 8.43 8.34 2fvzA1 GLY 147 HA2 0.01 0.02 0.39 -0.51 4.01 3.92 2fvzA1 GLY 147 HA3 0.02 0.06 0.28 -0.51 4.01 3.86 2fvzA1 ARG 148 H 0.03 0.42 -0.48 -0.55 8.46 7.88 2fvzA1 ARG 148 HA 0.05 0.21 0.95 -0.75 4.34 4.80 2fvzA1 ARG 148 HB2 0.02 -0.05 -0.05 -0.04 1.90 1.78 2fvzA1 ARG 148 HB3 0.04 -0.04 0.13 -0.04 1.80 1.89 2fvzA1 ARG 148 HG2 0.01 0.01 -0.10 -0.04 1.67 1.55 2fvzA1 ARG 148 HG3 0.02 0.14 -0.30 -0.04 1.67 1.48 2fvzA1 ARG 148 HD2 -0.01 -0.01 -0.05 -0.04 3.22 3.11 2fvzA1 ARG 148 HD3 -0.04 -0.05 -0.07 -0.04 3.22 3.02 2fvzA1 GLY 149 H 0.03 0.00 -0.02 -0.55 8.43 7.89 2fvzA1 GLY 149 HA2 -0.07 0.18 0.38 -0.51 4.01 4.00 2fvzA1 GLY 149 HA3 -0.08 0.11 0.38 -0.51 4.01 3.91 2fvzA1 ALA 150 H -0.38 0.32 0.18 -0.55 8.40 7.98 2fvzA1 ALA 150 HA 0.08 0.15 0.95 -0.75 4.34 4.77 2fvzA1 ALA 150 HB3 -0.00 0.01 -0.03 -0.04 1.41 1.34 2fvzA1 PHE 151 H 0.30 0.38 0.22 -0.55 8.34 8.69 2fvzA1 PHE 151 HA 0.07 0.27 0.92 -0.75 4.62 5.12 2fvzA1 PHE 151 HB2 0.07 -0.14 -0.13 -0.04 3.15 2.91 2fvzA1 PHE 151 HB3 0.04 0.09 -0.48 -0.04 3.06 2.68 2fvzA1 PHE 151 HD2 0.04 -0.01 -0.44 -0.04 7.28 6.82 2fvzA1 PHE 151 HE2 0.01 0.11 -0.10 -0.04 7.38 7.36 2fvzA1 PHE 151 HZ 0.01 0.03 -0.04 -0.04 7.32 7.27 2fvzA1 CYS 152 H 0.14 0.51 0.07 -0.55 8.50 8.67 2fvzA1 CYS 152 HA -0.05 0.30 0.82 -0.75 4.58 4.90 2fvzA1 CYS 152 HB2 0.01 -0.03 -0.03 -0.04 2.97 2.88 2fvzA1 CYS 152 HB3 0.04 0.07 0.08 -0.04 2.97 3.12 2fvzA1 ASN 153 H -0.01 0.34 0.08 -0.55 8.53 8.39 2fvzA1 ASN 153 HA 0.02 -0.04 0.38 -0.75 4.76 4.36 2fvzA1 ASN 153 HB2 -0.01 0.12 -0.02 -0.04 2.88 2.93 2fvzA1 ASN 153 HB3 0.01 0.01 0.19 -0.04 2.79 2.95 2fvzA1 ASN 153 HD21 0.05 0.01 0.23 -0.04 7.03 7.28 2fvzA1 ASN 153 HD22 0.02 -0.01 0.16 -0.04 7.74 7.87 2fvzA1 GLY 154 H 0.05 0.07 -0.14 -0.55 8.43 7.86 2fvzA1 GLY 154 HA2 -0.01 -0.04 0.31 -0.51 4.01 3.76 2fvzA1 GLY 154 HA3 0.03 0.12 0.39 -0.51 4.01 4.04 2fvzA1 GLN 155 H 0.10 0.53 -0.22 -0.55 8.47 8.33 2fvzA1 GLN 155 HA 0.21 0.08 0.52 -0.75 4.36 4.42 2fvzA1 GLN 155 HB2 0.09 -0.01 0.12 -0.04 2.15 2.30 2fvzA1 GLN 155 HB3 0.08 -0.06 0.08 -0.04 2.02 2.07 2fvzA1 GLN 155 HG2 0.06 0.16 0.15 -0.04 2.40 2.73 2fvzA1 GLN 155 HG3 0.07 0.06 -0.06 -0.04 2.39 2.41 2fvzA1 GLN 155 HE21 0.03 -0.06 0.04 -0.04 6.97 6.94 2fvzA1 GLN 155 HE22 0.03 0.05 0.06 -0.04 7.69 7.79 2fvzA1 ARG 156 H 0.16 0.05 0.19 -0.55 8.46 8.31 2fvzA1 ARG 156 HA -0.55 0.10 0.42 -0.75 4.34 3.56 2fvzA1 ARG 156 HB2 0.01 -0.06 0.14 -0.04 1.90 1.95 2fvzA1 ARG 156 HB3 -0.04 -0.04 0.12 -0.04 1.80 1.80 2fvzA1 ARG 156 HG2 -0.15 -0.05 0.03 -0.04 1.67 1.46 2fvzA1 ARG 156 HG3 -0.31 0.30 0.16 -0.04 1.67 1.78 2fvzA1 ARG 156 HD2 -1.58 0.03 0.06 -0.04 3.22 1.69 2fvzA1 ARG 156 HD3 -0.40 -0.05 0.03 -0.04 3.22 2.75 2fvzA1 LEU 157 H -0.33 0.78 0.49 -0.55 8.37 8.77 2fvzA1 LEU 157 HA -0.02 0.18 0.99 -0.75 4.35 4.75 2fvzA1 LEU 157 HB2 -0.04 -0.05 -0.12 -0.04 1.64 1.39 2fvzA1 LEU 157 HB3 0.03 0.08 -0.07 -0.04 1.64 1.64 2fvzA1 LEU 157 HG 0.04 -0.08 -0.19 -0.04 1.64 1.37 2fvzA1 LEU 157 HD13 0.21 -0.03 -0.48 -0.04 0.93 0.59 2fvzA1 LEU 157 HD23 0.12 0.01 -0.05 -0.04 0.89 0.93 2fvzA1 ARG 158 H -0.00 0.29 0.25 -0.55 8.46 8.44 2fvzA1 ARG 158 HA -0.03 0.17 0.69 -0.75 4.34 4.42 2fvzA1 ARG 158 HB2 -0.04 0.02 0.17 -0.04 1.90 2.01 2fvzA1 ARG 158 HB3 -0.02 -0.11 -0.02 -0.04 1.80 1.61 2fvzA1 ARG 158 HG2 -0.01 -0.09 -0.04 -0.04 1.67 1.49 2fvzA1 ARG 158 HG3 -0.01 0.21 -0.26 -0.04 1.67 1.57 2fvzA1 ARG 158 HD2 -0.01 0.02 0.06 -0.04 3.22 3.24 2fvzA1 ARG 158 HD3 -0.02 -0.03 0.06 -0.04 3.22 3.19 2fvzA1 VAL 159 H -0.01 0.58 0.21 -0.55 8.24 8.47 2fvzA1 VAL 159 HA 0.01 0.12 0.18 -0.75 4.13 3.68 2fvzA1 VAL 159 HB 0.01 -0.27 0.22 -0.04 2.12 2.04 2fvzA1 VAL 159 HG13 0.00 0.01 -0.14 -0.04 0.97 0.80 2fvzA1 VAL 159 HG23 0.00 0.04 -0.11 -0.04 0.95 0.85 2fvzA1 SER 160 H 0.01 -0.05 0.25 -0.55 8.46 8.13 2fvzA1 SER 160 HA 0.01 0.30 0.69 -0.75 4.49 4.74 2fvzA1 SER 160 HB2 0.02 -0.02 0.08 -0.04 3.95 3.99 2fvzA1 SER 160 HB3 0.02 0.23 0.12 -0.04 3.93 4.26 2fvzA1 GLY 161 H 0.01 0.02 0.15 -0.55 8.43 8.06 2fvzA1 GLY 161 HA2 0.01 0.10 0.22 -0.51 4.01 3.83 2fvzA1 GLY 161 HA3 0.01 0.19 0.64 -0.51 4.01 4.34 2fvzA1 GLU 162 H 0.02 0.02 -0.29 -0.55 8.60 7.80 2fvzA1 GLU 162 HA 0.01 0.06 0.44 -0.75 4.29 4.05 2fvzA1 GLU 162 HB2 0.03 0.12 0.04 -0.04 2.09 2.24 2fvzA1 GLU 162 HB3 0.03 -0.06 0.06 -0.04 1.99 1.98 2fvzA1 GLU 162 HG2 0.04 0.10 -0.23 -0.04 2.34 2.21 2fvzA1 GLU 162 HG3 0.02 -0.10 -0.46 -0.04 2.34 1.76 2fvzA1 THR 163 H 0.01 0.08 0.22 -0.55 8.28 8.04 2fvzA1 THR 163 HA 0.01 0.05 0.87 -0.75 4.39 4.56 2fvzA1 THR 163 HB 0.00 -0.03 0.06 -0.04 4.32 4.31 2fvzA1 THR 163 HG23 0.00 0.05 -0.07 -0.04 1.22 1.17 2fvzA1 ASP 164 H 0.01 0.04 0.05 -0.55 8.40 7.95 2fvzA1 ASP 164 HA -0.00 0.19 0.81 -0.75 4.63 4.88 2fvzA1 ASP 164 HB2 -0.01 0.04 0.06 -0.04 2.71 2.77 2fvzA1 ASP 164 HB3 -0.01 0.02 0.18 -0.04 2.70 2.84 2fvzA1 LEU 165 H -0.00 0.29 0.11 -0.55 8.37 8.21 2fvzA1 LEU 165 HA 0.01 0.01 0.18 -0.75 4.35 3.81 2fvzA1 LEU 165 HB2 -0.01 0.00 0.07 -0.04 1.64 1.66 2fvzA1 LEU 165 HB3 -0.01 0.09 0.02 -0.04 1.64 1.70 2fvzA1 LEU 165 HG 0.00 -0.01 -0.19 -0.04 1.64 1.40 2fvzA1 LEU 165 HD13 -0.00 -0.01 -0.10 -0.04 0.93 0.77 2fvzA1 LEU 165 HD23 -0.02 0.08 -0.12 -0.04 0.89 0.78 2fvzA1 SER 166 H -0.01 -0.01 -0.40 -0.55 8.46 7.49 2fvzA1 SER 166 HA -0.02 0.49 0.32 -0.75 4.49 4.53 2fvzA1 SER 166 HB2 -0.04 0.12 0.14 -0.04 3.95 4.12 2fvzA1 SER 166 HB3 -0.03 -0.07 0.08 -0.04 3.93 3.87 2fvzA1 LYS 167 H -0.00 0.57 -0.42 -0.55 8.42 8.01 2fvzA1 LYS 167 HA -0.15 0.21 0.83 -0.75 4.32 4.46 2fvzA1 LYS 167 HB2 -0.01 -0.04 0.10 -0.04 1.87 1.87 2fvzA1 LYS 167 HB3 0.02 -0.05 0.14 -0.04 1.79 1.86 2fvzA1 LYS 167 HG2 -0.03 -0.02 0.06 -0.04 1.46 1.43 2fvzA1 LYS 167 HG3 -0.14 0.09 0.04 -0.04 1.46 1.40 2fvzA1 LYS 167 HD2 -0.07 0.04 -0.06 -0.04 1.69 1.56 2fvzA1 LYS 167 HD3 -0.04 -0.07 -0.04 -0.04 1.68 1.50 2fvzA1 LYS 167 HE2 -0.03 0.01 -0.00 -0.04 2.99 2.93 2fvzA1 LYS 167 HE3 -0.02 -0.05 0.01 -0.04 2.99 2.89 2fvzA1 ALA 168 H 0.07 0.41 -0.20 -0.55 8.40 8.13 2fvzA1 ALA 168 HA 0.09 0.14 0.62 -0.75 4.34 4.43 2fvzA1 ALA 168 HB3 0.05 0.02 -0.11 -0.04 1.41 1.32 2fvzA1 LEU 169 H 0.05 0.12 0.15 -0.55 8.37 8.15 2fvzA1 LEU 169 HA 0.03 0.31 0.95 -0.75 4.35 4.89 2fvzA1 LEU 169 HB2 -0.06 0.04 0.03 -0.04 1.64 1.62 2fvzA1 LEU 169 HB3 0.01 -0.08 0.24 -0.04 1.64 1.77 2fvzA1 LEU 169 HG 0.02 -0.07 -0.22 -0.04 1.64 1.33 2fvzA1 LEU 169 HD13 -0.01 0.11 -0.25 -0.04 0.93 0.73 2fvzA1 LEU 169 HD23 -0.04 0.05 -0.02 -0.04 0.89 0.83 2fvzA1 VAL 170 H 0.06 0.60 0.27 -0.55 8.24 8.61 2fvzA1 VAL 170 HA 0.10 0.17 0.76 -0.75 4.13 4.41 2fvzA1 VAL 170 HB 0.09 0.00 -0.00 -0.04 2.12 2.17 2fvzA1 VAL 170 HG13 0.16 -0.00 -0.28 -0.04 0.97 0.81 2fvzA1 VAL 170 HG23 0.05 0.01 -0.25 -0.04 0.95 0.72 2fvzA1 LEU 171 H 0.15 0.68 0.46 -0.55 8.37 9.12 2fvzA1 LEU 171 HA 0.09 0.26 1.08 -0.75 4.35 5.03 2fvzA1 LEU 171 HB2 0.36 0.05 0.18 -0.04 1.64 2.19 2fvzA1 LEU 171 HB3 0.40 -0.10 0.07 -0.04 1.64 1.96 2fvzA1 LEU 171 HG 0.15 0.01 0.01 -0.04 1.64 1.77 2fvzA1 LEU 171 HD13 0.11 0.03 -0.37 -0.04 0.93 0.67 2fvzA1 LEU 171 HD23 0.16 -0.06 0.00 -0.04 0.89 0.96 2fvzA1 THR 172 H 0.00 0.53 0.42 -0.55 8.28 8.68 2fvzA1 THR 172 HA -0.78 0.18 0.51 -0.75 4.39 3.54 2fvzA1 THR 172 HB -1.44 0.14 0.17 -0.04 4.32 3.16 2fvzA1 THR 172 HG23 -0.19 -0.02 -0.29 -0.04 1.22 0.67 2fvzA1 GLU 173 H -0.15 0.35 0.23 -0.55 8.60 8.49 2fvzA1 GLU 173 HA 0.08 0.11 0.87 -0.75 4.29 4.59 2fvzA1 GLU 173 HB2 0.06 0.06 -0.10 -0.04 2.09 2.07 2fvzA1 GLU 173 HB3 0.03 -0.09 -0.03 -0.04 1.99 1.87 2fvzA1 GLU 173 HG2 0.16 0.10 -0.69 -0.04 2.34 1.86 2fvzA1 GLU 173 HG3 0.11 -0.09 -0.29 -0.04 2.34 2.03 2fvzA1 ILE 174 H -0.03 0.04 0.11 -0.55 8.25 7.82 2fvzA1 ILE 174 HA -0.82 0.11 0.38 -0.75 4.18 3.09 2fvzA1 ILE 174 HB -0.27 0.18 0.14 -0.04 1.89 1.91 2fvzA1 ILE 174 HG12 -0.12 0.05 0.07 -0.04 1.49 1.45 2fvzA1 ILE 174 HG13 -0.09 -0.21 0.18 -0.04 1.21 1.06 2fvzA1 ILE 174 HG23 -0.77 0.02 0.01 -0.04 0.93 0.14 2fvzA1 ILE 174 HD13 -0.13 0.03 0.03 -0.04 0.88 0.77 2fvzA1 GLY 175 H -0.10 -0.04 0.03 -0.55 8.43 7.78 2fvzA1 GLY 175 HA2 -0.03 -0.05 0.30 -0.51 4.01 3.72 2fvzA1 GLY 175 HA3 -0.06 0.30 0.76 -0.51 4.01 4.51 2fvzA1 PRO 176 HA -0.00 0.10 0.63 -0.51 4.44 4.66 2fvzA1 PRO 176 HB2 0.05 -0.03 0.17 -0.04 2.28 2.44 2fvzA1 PRO 176 HB3 0.05 0.02 0.13 -0.04 2.02 2.19 2fvzA1 PRO 176 HG2 0.14 0.06 0.16 -0.04 2.03 2.35 2fvzA1 PRO 176 HG3 0.09 -0.04 0.12 -0.04 2.03 2.17 2fvzA1 PRO 176 HD2 0.01 0.19 0.27 -0.04 3.68 4.10 2fvzA1 PRO 176 HD3 0.02 0.06 0.22 -0.04 3.65 3.90 2fvzA1 LYS 177 H 0.02 0.08 0.11 -0.55 8.42 8.08 2fvzA1 LYS 177 HA 0.01 -0.01 0.46 -0.75 4.32 4.03 2fvzA1 LYS 177 HB2 -0.00 0.03 0.05 -0.04 1.87 1.90 2fvzA1 LYS 177 HB3 0.01 -0.03 0.12 -0.04 1.79 1.84 2fvzA1 LYS 177 HG2 0.04 -0.05 0.18 -0.04 1.46 1.58 2fvzA1 LYS 177 HG3 0.01 0.08 0.15 -0.04 1.46 1.66 2fvzA1 LYS 177 HD2 0.02 0.03 0.07 -0.04 1.69 1.77 2fvzA1 LYS 177 HD3 0.03 -0.02 0.07 -0.04 1.68 1.72 2fvzA1 LYS 177 HE2 0.06 0.03 0.05 -0.04 2.99 3.09 2fvzA1 LYS 177 HE3 0.07 -0.01 0.06 -0.04 2.99 3.07 2fvzA1 ARG 178 H -0.01 0.09 0.16 -0.55 8.46 8.14 2fvzA1 ARG 178 HA -0.05 0.26 0.81 -0.75 4.34 4.60 2fvzA1 ARG 178 HB2 -0.02 -0.03 0.11 -0.04 1.90 1.92 2fvzA1 ARG 178 HB3 -0.03 -0.03 0.19 -0.04 1.80 1.89 2fvzA1 ARG 178 HG2 -0.04 0.02 -0.00 -0.04 1.67 1.60 2fvzA1 ARG 178 HG3 -0.05 -0.05 0.02 -0.04 1.67 1.55 2fvzA1 ARG 178 HD2 -0.10 -0.08 -0.00 -0.04 3.22 3.00 2fvzA1 ARG 178 HD3 -0.06 0.19 -0.93 -0.04 3.22 2.37 2fvzA1 ASP 179 H -0.01 0.03 -0.11 -0.55 8.40 7.76 2fvzA1 ASP 179 HA -0.01 0.20 0.55 -0.75 4.63 4.61 2fvzA1 ASP 179 HB2 -0.00 0.10 0.15 -0.04 2.71 2.91 2fvzA1 ASP 179 HB3 -0.00 0.04 0.15 -0.04 2.70 2.85 2fvzA1 PRO 180 HA -0.00 0.12 0.39 -0.51 4.44 4.44 2fvzA1 PRO 180 HB2 -0.00 0.04 0.00 -0.04 2.28 2.27 2fvzA1 PRO 180 HB3 -0.00 0.08 0.13 -0.04 2.02 2.19 2fvzA1 PRO 180 HG2 -0.00 0.07 0.10 -0.04 2.03 2.16 2fvzA1 PRO 180 HG3 -0.00 0.11 0.13 -0.04 2.03 2.23 2fvzA1 PRO 180 HD2 -0.00 0.08 0.23 -0.04 3.68 3.94 2fvzA1 PRO 180 HD3 -0.00 0.18 0.30 -0.04 3.65 4.09 2fvzA1 ALA 181 H -0.00 0.05 -0.44 -0.55 8.40 7.46 2fvzA1 ALA 181 HA -0.01 0.17 0.65 -0.75 4.34 4.40 2fvzA1 ALA 181 HB3 -0.01 0.03 0.03 -0.04 1.41 1.42 2fvzA1 THR 182 H -0.00 0.13 -0.09 -0.55 8.28 7.77 2fvzA1 THR 182 HA -0.00 0.13 0.67 -0.75 4.39 4.43 2fvzA1 THR 182 HB 0.01 0.11 0.04 -0.04 4.32 4.44 2fvzA1 THR 182 HG23 0.01 -0.02 0.01 -0.04 1.22 1.17 2fvzA1 LEU 183 H 0.00 0.43 -0.19 -0.55 8.37 8.07 2fvzA1 LEU 183 HA 0.04 0.10 0.44 -0.75 4.35 4.18 2fvzA1 LEU 183 HB2 -0.00 -0.01 0.00 -0.04 1.64 1.59 2fvzA1 LEU 183 HB3 0.01 0.00 -0.07 -0.04 1.64 1.55 2fvzA1 LEU 183 HG -0.09 -0.01 -0.03 -0.04 1.64 1.47 2fvzA1 LEU 183 HD13 -0.06 0.07 -0.20 -0.04 0.93 0.70 2fvzA1 LEU 183 HD23 -0.03 0.02 -0.10 -0.04 0.89 0.74 2fvzA1 LYS 184 H 0.02 0.40 -0.24 -0.55 8.42 8.04 2fvzA1 LYS 184 HA 0.03 0.00 0.52 -0.75 4.32 4.12 2fvzA1 LYS 184 HB2 -0.00 0.35 0.28 -0.04 1.87 2.46 2fvzA1 LYS 184 HB3 -0.01 -0.00 -0.03 -0.04 1.79 1.71 2fvzA1 LYS 184 HG2 -0.00 0.01 0.05 -0.04 1.46 1.48 2fvzA1 LYS 184 HG3 -0.01 -0.01 0.01 -0.04 1.46 1.41 2fvzA1 LYS 184 HD2 0.02 0.00 0.10 -0.04 1.69 1.77 2fvzA1 LYS 184 HD3 0.01 0.00 -0.00 -0.04 1.68 1.65 2fvzA1 LYS 184 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.95 2fvzA1 LYS 184 HE3 -0.01 -0.01 -0.00 -0.04 2.99 2.92 2fvzA1 LEU 185 H -0.00 0.43 -0.24 -0.55 8.37 8.00 2fvzA1 LEU 185 HA -0.08 0.01 0.46 -0.75 4.35 3.99 2fvzA1 LEU 185 HB2 -0.06 0.16 0.23 -0.04 1.64 1.93 2fvzA1 LEU 185 HB3 -0.00 0.16 0.23 -0.04 1.64 1.99 2fvzA1 LEU 185 HG -0.20 -0.04 0.03 -0.04 1.64 1.39 2fvzA1 LEU 185 HD13 -0.09 0.00 -0.17 -0.04 0.93 0.63 2fvzA1 LEU 185 HD23 -0.37 -0.02 0.01 -0.04 0.89 0.47 2fvzA1 PHE 186 H 0.16 0.80 -0.13 -0.55 8.34 8.62 2fvzA1 PHE 186 HA 0.01 -0.02 0.38 -0.75 4.62 4.23 2fvzA1 PHE 186 HB2 -0.01 0.15 0.20 -0.04 3.15 3.44 2fvzA1 PHE 186 HB3 -0.01 0.16 0.20 -0.04 3.06 3.37 2fvzA1 PHE 186 HD2 -0.01 0.07 -0.00 -0.04 7.28 7.30 2fvzA1 PHE 186 HE2 -0.04 -0.01 -0.31 -0.04 7.38 6.97 2fvzA1 PHE 186 HZ -0.03 -0.05 -0.15 -0.04 7.32 7.05 2fvzA1 LEU 187 H 0.15 0.55 -0.20 -0.55 8.37 8.32 2fvzA1 LEU 187 HA -0.09 -0.02 0.38 -0.75 4.35 3.86 2fvzA1 LEU 187 HB2 0.02 0.08 0.06 -0.04 1.64 1.76 2fvzA1 LEU 187 HB3 0.02 -0.06 0.09 -0.04 1.64 1.65 2fvzA1 LEU 187 HG 0.24 0.17 0.17 -0.04 1.64 2.17 2fvzA1 LEU 187 HD13 0.06 -0.07 -0.06 -0.04 0.93 0.82 2fvzA1 LEU 187 HD23 0.15 -0.03 -0.01 -0.04 0.89 0.96 2fvzA1 SER 188 H -0.03 0.56 -0.28 -0.55 8.46 8.16 2fvzA1 SER 188 HA -0.06 -0.00 0.53 -0.75 4.49 4.21 2fvzA1 SER 188 HB2 -0.09 -0.06 0.01 -0.04 3.95 3.78 2fvzA1 SER 188 HB3 -0.06 -0.08 0.08 -0.04 3.93 3.83 2fvzA1 ASN 189 H -0.09 0.59 0.00 -0.55 8.53 8.49 2fvzA1 ASN 189 HA -0.12 0.03 0.35 -0.75 4.76 4.27 2fvzA1 ASN 189 HB2 0.10 0.07 0.04 -0.04 2.88 3.06 2fvzA1 ASN 189 HB3 -0.09 0.01 -0.00 -0.04 2.79 2.67 2fvzA1 ASN 189 HD21 -0.31 -0.03 -0.02 -0.04 7.03 6.63 2fvzA1 ASN 189 HD22 -0.13 -0.01 -0.03 -0.04 7.74 7.53 2fvzA1 MET 190 H -0.14 0.42 -0.24 -0.55 8.47 7.95 2fvzA1 MET 190 HA -0.04 0.05 0.40 -0.75 4.52 4.18 2fvzA1 MET 190 HB2 -0.23 0.12 0.11 -0.04 2.15 2.10 2fvzA1 MET 190 HB3 -0.10 -0.00 -0.10 -0.04 2.03 1.79 2fvzA1 MET 190 HG2 -0.08 -0.02 -0.06 -0.04 2.63 2.42 2fvzA1 MET 190 HG3 -0.52 0.05 -0.06 -0.04 2.56 1.98 2fvzA1 MET 190 HE3 -0.01 -0.00 -0.09 -0.04 2.10 1.95 2fvzA1 GLU 191 H -0.07 0.49 -0.14 -0.55 8.60 8.33 2fvzA1 GLU 191 HA 0.01 0.02 0.48 -0.75 4.29 4.04 2fvzA1 GLU 191 HB2 -0.04 -0.01 0.13 -0.04 2.09 2.12 2fvzA1 GLU 191 HB3 -0.06 0.21 0.22 -0.04 1.99 2.31 2fvzA1 GLU 191 HG2 -0.12 -0.00 -0.03 -0.04 2.34 2.16 2fvzA1 GLU 191 HG3 -0.10 0.01 -0.47 -0.04 2.34 1.74 2fvzA1 ARG 192 H -0.07 0.50 -0.20 -0.55 8.46 8.14 2fvzA1 ARG 192 HA -0.03 0.02 0.37 -0.75 4.34 3.95 2fvzA1 ARG 192 HB2 -0.12 0.17 -0.01 -0.04 1.90 1.90 2fvzA1 ARG 192 HB3 -0.07 -0.09 -0.02 -0.04 1.80 1.58 2fvzA1 ARG 192 HG2 -0.08 -0.07 0.06 -0.04 1.67 1.55 2fvzA1 ARG 192 HG3 -0.09 0.27 0.06 -0.04 1.67 1.87 2fvzA1 ARG 192 HD2 -0.08 -0.03 0.01 -0.04 3.22 3.07 2fvzA1 ARG 192 HD3 -0.06 -0.06 0.04 -0.04 3.22 3.10 2fvzA1 LEU 193 H -0.10 0.52 -0.25 -0.55 8.37 8.00 2fvzA1 LEU 193 HA -0.08 0.07 0.42 -0.75 4.35 4.01 2fvzA1 LEU 193 HB2 -0.11 0.10 0.16 -0.04 1.64 1.75 2fvzA1 LEU 193 HB3 -0.03 -0.05 -0.11 -0.04 1.64 1.41 2fvzA1 LEU 193 HG -0.26 -0.08 -0.11 -0.04 1.64 1.16 2fvzA1 LEU 193 HD13 -0.08 -0.01 -0.07 -0.04 0.93 0.72 2fvzA1 LEU 193 HD23 -0.46 0.03 -0.12 -0.04 0.89 0.30 2fvzA1 LEU 194 H -0.01 0.67 -0.15 -0.55 8.37 8.34 2fvzA1 LEU 194 HA 0.01 0.04 0.53 -0.75 4.35 4.17 2fvzA1 LEU 194 HB2 0.01 0.23 0.16 -0.04 1.64 2.00 2fvzA1 LEU 194 HB3 0.05 -0.03 -0.03 -0.04 1.64 1.59 2fvzA1 LEU 194 HG 0.02 -0.02 -0.02 -0.04 1.64 1.58 2fvzA1 LEU 194 HD13 0.01 -0.01 -0.05 -0.04 0.93 0.85 2fvzA1 LEU 194 HD23 0.00 -0.02 -0.09 -0.04 0.89 0.74 2fvzA1 HIS 195 H 0.11 1.20 0.09 -0.55 8.41 9.27 2fvzA1 HIS 195 HA -0.02 0.06 0.68 -0.75 4.63 4.60 2fvzA1 HIS 195 HB2 -0.03 0.23 0.10 -0.04 3.26 3.52 2fvzA1 HIS 195 HB3 -0.03 -0.02 -0.01 -0.04 3.20 3.09 2fvzA1 HIS 195 HD2 -0.02 -0.01 0.02 -0.04 6.97 6.92 2fvzA1 HIS 195 HE1 -0.01 -0.03 -0.01 -0.04 7.75 7.65 2fvzA1 ALA 196 H 0.02 0.17 -0.67 -0.55 8.40 7.38 2fvzA1 ALA 196 HA -0.00 0.03 0.59 -0.75 4.34 4.21 2fvzA1 ALA 196 HB3 -0.03 0.05 0.10 -0.04 1.41 1.49 2fvzA1 LYS 197 H -0.02 0.17 -0.73 -0.55 8.42 7.28 2fvzA1 LYS 197 HA -0.05 0.11 0.18 -0.75 4.32 3.81 2fvzA1 LYS 197 HB2 -0.03 0.17 0.22 -0.04 1.87 2.18 2fvzA1 LYS 197 HB3 -0.04 -0.07 0.14 -0.04 1.79 1.78 2fvzA1 LYS 197 HG2 -0.05 0.13 -0.57 -0.04 1.46 0.93 2fvzA1 LYS 197 HG3 -0.05 -0.11 -0.11 -0.04 1.46 1.15 2fvzA1 LYS 197 HD2 -0.09 -0.10 -0.03 -0.04 1.69 1.43 2fvzA1 LYS 197 HD3 -0.09 0.09 -0.02 -0.04 1.68 1.62 2fvzA1 LYS 197 HE2 -0.33 -0.03 0.08 -0.04 2.99 2.67 2fvzA1 LYS 197 HE3 -0.14 0.63 0.03 -0.04 2.99 3.46 2fvzA1 ALA 198 H -0.00 0.19 0.03 -0.55 8.40 8.07 2fvzA1 ALA 198 HA 0.03 0.14 0.38 -0.75 4.34 4.13 2fvzA1 ALA 198 HB3 0.03 -0.02 -0.05 -0.04 1.41 1.33 2fvzA1 HIS 199 H 0.12 0.10 0.16 -0.55 8.41 8.24 2fvzA1 HIS 199 HA -0.00 0.05 0.43 -0.75 4.63 4.36 2fvzA1 HIS 199 HB2 0.00 -0.15 -0.26 -0.04 3.26 2.82 2fvzA1 HIS 199 HB3 0.01 -0.02 -0.24 -0.04 3.20 2.91 2fvzA1 HIS 199 HD2 0.00 0.00 0.01 -0.04 6.97 6.94 2fvzA1 HIS 199 HE1 0.00 -0.04 -0.02 -0.04 7.75 7.65 2fvzA1 GLY 200 H 0.09 0.37 0.09 -0.55 8.43 8.44 2fvzA1 GLY 200 HA2 0.04 0.12 0.55 -0.51 4.01 4.20 2fvzA1 GLY 200 HA3 -0.02 0.01 0.24 -0.51 4.01 3.73 2fvzA1 VAL 201 H 0.03 0.18 0.15 -0.55 8.24 8.04 2fvzA1 VAL 201 HA 0.05 0.32 1.06 -0.75 4.13 4.81 2fvzA1 VAL 201 HB 0.04 0.02 -0.06 -0.04 2.12 2.08 2fvzA1 VAL 201 HG13 0.02 -0.01 -0.05 -0.04 0.97 0.89 2fvzA1 VAL 201 HG23 0.04 0.01 -0.11 -0.04 0.95 0.84 2fvzA1 ARG 202 H 0.06 0.49 0.27 -0.55 8.46 8.72 2fvzA1 ARG 202 HA 0.05 0.15 0.81 -0.75 4.34 4.60 2fvzA1 ARG 202 HB2 0.09 -0.06 -0.01 -0.04 1.90 1.89 2fvzA1 ARG 202 HB3 0.08 -0.02 -0.05 -0.04 1.80 1.78 2fvzA1 ARG 202 HG2 0.04 -0.07 -0.78 -0.04 1.67 0.81 2fvzA1 ARG 202 HG3 0.05 0.02 -0.21 -0.04 1.67 1.48 2fvzA1 ARG 202 HD2 0.04 -0.04 -0.08 -0.04 3.22 3.10 2fvzA1 ARG 202 HD3 0.04 0.10 -0.01 -0.04 3.22 3.30 2fvzA1 VAL 203 H 0.06 0.27 0.11 -0.55 8.24 8.13 2fvzA1 VAL 203 HA 0.08 0.22 0.89 -0.75 4.13 4.56 2fvzA1 VAL 203 HB 0.08 0.24 0.18 -0.04 2.12 2.58 2fvzA1 VAL 203 HG13 0.10 0.02 -0.16 -0.04 0.97 0.88 2fvzA1 VAL 203 HG23 0.04 -0.06 -0.07 -0.04 0.95 0.82 2fvzA1 ILE 204 H 0.07 0.05 0.14 -0.55 8.25 7.97 2fvzA1 ILE 204 HA 0.12 0.30 0.67 -0.75 4.18 4.52 2fvzA1 ILE 204 HB 0.17 0.07 0.04 -0.04 1.89 2.14 2fvzA1 ILE 204 HG12 0.06 -0.04 -0.02 -0.04 1.49 1.46 2fvzA1 ILE 204 HG13 0.04 -0.09 -0.26 -0.04 1.21 0.86 2fvzA1 ILE 204 HG23 0.15 0.03 -0.23 -0.04 0.93 0.83 2fvzA1 ILE 204 HD13 -0.01 0.01 -0.17 -0.04 0.88 0.68 2fvzA1 GLY 205 H 0.04 0.00 0.05 -0.55 8.43 7.98 2fvzA1 GLY 205 HA2 0.01 -0.05 0.29 -0.51 4.01 3.74 2fvzA1 GLY 205 HA3 0.01 0.19 0.47 -0.51 4.01 4.18 2fvzA1 SER 206 H 0.03 0.08 -0.21 -0.55 8.46 7.83 2fvzA1 SER 206 HA 0.02 -0.02 0.40 -0.75 4.49 4.13 2fvzA1 SER 206 HB2 0.00 0.47 -0.18 -0.04 3.95 4.21 2fvzA1 SER 206 HB3 -0.05 0.01 -0.14 -0.04 3.93 3.70 2fvzA1 SER 207 H 0.01 0.16 0.02 -0.55 8.46 8.10 2fvzA1 SER 207 HA -0.08 0.16 0.46 -0.75 4.49 4.29 2fvzA1 SER 207 HB2 -0.10 0.15 -0.15 -0.04 3.95 3.80 2fvzA1 SER 207 HB3 0.11 0.06 -0.07 -0.04 3.93 3.99 2fvzA1 THR 208 H -0.04 0.02 -0.10 -0.55 8.28 7.61 2fvzA1 THR 208 HA -0.11 0.17 0.28 -0.75 4.39 3.98 2fvzA1 THR 208 HB -0.03 0.09 -0.18 -0.04 4.32 4.16 2fvzA1 THR 208 HG23 0.04 0.00 -0.05 -0.04 1.22 1.17 2fvzA1 LEU 209 H -0.14 0.07 -0.39 -0.55 8.37 7.36 2fvzA1 LEU 209 HA -0.30 0.11 0.31 -0.75 4.35 3.72 2fvzA1 LEU 209 HB2 -0.24 0.04 -0.14 -0.04 1.64 1.26 2fvzA1 LEU 209 HB3 -0.34 0.08 -0.10 -0.04 1.64 1.24 2fvzA1 LEU 209 HG -0.18 -0.10 -0.21 -0.04 1.64 1.11 2fvzA1 LEU 209 HD13 -0.64 0.06 -0.18 -0.04 0.93 0.13 2fvzA1 LEU 209 HD23 -0.09 0.02 -0.24 -0.04 0.89 0.53 2fvzA1 ALA 210 H -0.19 0.28 -0.42 -0.55 8.40 7.53 2fvzA1 ALA 210 HA -0.14 0.05 0.33 -0.75 4.34 3.83 2fvzA1 ALA 210 HB3 -0.08 0.02 0.07 -0.04 1.41 1.38 2fvzA1 LEU 211 H -0.32 0.53 -0.40 -0.55 8.37 7.63 2fvzA1 LEU 211 HA -0.23 0.05 0.41 -0.75 4.35 3.83 2fvzA1 LEU 211 HB2 -0.24 0.10 0.02 -0.04 1.64 1.47 2fvzA1 LEU 211 HB3 -0.19 -0.03 -0.12 -0.04 1.64 1.26 2fvzA1 LEU 211 HG -0.85 0.04 -0.12 -0.04 1.64 0.67 2fvzA1 LEU 211 HD13 -0.24 -0.02 -0.19 -0.04 0.93 0.43 2fvzA1 LEU 211 HD23 -0.37 -0.01 -0.18 -0.04 0.89 0.29 2fvzA1 CYS 212 H -0.29 0.38 -0.17 -0.55 8.50 7.88 2fvzA1 CYS 212 HA -0.27 0.02 0.37 -0.75 4.58 3.94 2fvzA1 CYS 212 HB2 -0.67 0.03 0.07 -0.04 2.97 2.35 2fvzA1 CYS 212 HB3 -1.64 0.02 -0.09 -0.04 2.97 1.23 2fvzA1 HIS 213 H -0.19 0.62 -0.30 -0.55 8.41 7.99 2fvzA1 HIS 213 HA -0.00 0.04 0.41 -0.75 4.63 4.32 2fvzA1 HIS 213 HB2 -0.03 0.23 0.03 -0.04 3.26 3.45 2fvzA1 HIS 213 HB3 0.01 -0.03 -0.24 -0.04 3.20 2.89 2fvzA1 HIS 213 HD2 0.03 -0.03 -0.12 -0.04 6.97 6.81 2fvzA1 HIS 213 HE1 0.12 -0.00 -0.09 -0.04 7.75 7.73 2fvzA1 LEU 214 H 0.02 0.30 -0.36 -0.55 8.37 7.79 2fvzA1 LEU 214 HA 0.04 0.05 0.24 -0.75 4.35 3.93 2fvzA1 LEU 214 HB2 -0.01 -0.02 0.05 -0.04 1.64 1.62 2fvzA1 LEU 214 HB3 -0.03 0.11 0.03 -0.04 1.64 1.71 2fvzA1 LEU 214 HG 0.04 -0.06 -0.35 -0.04 1.64 1.24 2fvzA1 LEU 214 HD13 0.02 -0.02 -0.46 -0.04 0.93 0.43 2fvzA1 LEU 214 HD23 0.07 0.06 -0.47 -0.04 0.89 0.51 2fvzA1 ALA 215 H -0.03 0.52 -0.14 -0.55 8.40 8.19 2fvzA1 ALA 215 HA -0.00 -0.00 0.12 -0.75 4.34 3.70 2fvzA1 ALA 215 HB3 -0.01 0.01 -0.16 -0.04 1.41 1.21 2fvzA1 SER 216 H 0.05 0.29 -0.72 -0.55 8.46 7.53 2fvzA1 SER 216 HA 0.06 0.02 0.45 -0.75 4.49 4.26 2fvzA1 SER 216 HB2 0.14 -0.03 0.07 -0.04 3.95 4.09 2fvzA1 SER 216 HB3 0.17 0.10 0.02 -0.04 3.93 4.18 2fvzA1 GLY 217 H 0.03 0.51 -0.13 -0.55 8.43 8.29 2fvzA1 GLY 217 HA2 0.02 -0.10 0.33 -0.51 4.01 3.75 2fvzA1 GLY 217 HA3 0.02 0.25 0.82 -0.51 4.01 4.59 2fvzA1 ALA 218 H 0.03 0.21 -0.07 -0.55 8.40 8.02 2fvzA1 ALA 218 HA -0.04 0.05 0.26 -0.75 4.34 3.85 2fvzA1 ALA 218 HB3 -0.14 -0.03 0.04 -0.04 1.41 1.24 2fvzA1 ALA 219 H 0.03 0.27 -0.49 -0.55 8.40 7.66 2fvzA1 ALA 219 HA 0.02 0.15 0.52 -0.75 4.34 4.28 2fvzA1 ALA 219 HB3 0.07 0.02 -0.07 -0.04 1.41 1.40 2fvzA1 ASP 220 H 0.05 0.55 0.30 -0.55 8.40 8.75 2fvzA1 ASP 220 HA 0.04 0.17 0.94 -0.75 4.63 5.02 2fvzA1 ASP 220 HB2 0.05 -0.01 -0.01 -0.04 2.71 2.70 2fvzA1 ASP 220 HB3 0.04 -0.07 0.13 -0.04 2.70 2.75 2fvzA1 ALA 221 H 0.09 0.26 0.17 -0.55 8.40 8.37 2fvzA1 ALA 221 HA 0.09 0.24 0.63 -0.75 4.34 4.54 2fvzA1 ALA 221 HB3 0.06 0.05 -0.04 -0.04 1.41 1.44 2fvzA1 TYR 222 H 0.16 0.67 0.39 -0.55 8.29 8.96 2fvzA1 TYR 222 HA 0.07 0.26 0.92 -0.75 4.56 5.06 2fvzA1 TYR 222 HB2 0.01 0.02 -0.19 -0.04 3.06 2.86 2fvzA1 TYR 222 HB3 0.01 -0.11 -0.01 -0.04 2.98 2.82 2fvzA1 TYR 222 HD2 -0.02 -0.06 -0.29 -0.04 7.15 6.73 2fvzA1 TYR 222 HE2 -0.07 -0.08 -0.28 -0.04 6.85 6.39 2fvzA1 TYR 223 H -0.78 0.69 0.39 -0.55 8.29 8.04 2fvzA1 TYR 223 HA -0.22 0.24 0.58 -0.75 4.56 4.40 2fvzA1 TYR 223 HB2 -0.12 0.04 0.20 -0.04 3.06 3.14 2fvzA1 TYR 223 HB3 -0.11 0.04 -0.15 -0.04 2.98 2.71 2fvzA1 TYR 223 HD2 -0.01 -0.04 -0.14 -0.04 7.15 6.92 2fvzA1 TYR 223 HE2 -0.05 -0.03 -0.17 -0.04 6.85 6.56 2fvzA1 GLN 224 H -0.15 0.35 0.24 -0.55 8.47 8.37 2fvzA1 GLN 224 HA -0.15 0.07 0.42 -0.75 4.36 3.94 2fvzA1 GLN 224 HB2 -0.30 0.03 0.33 -0.04 2.15 2.16 2fvzA1 GLN 224 HB3 -0.13 -0.09 -0.34 -0.04 2.02 1.42 2fvzA1 GLN 224 HG2 -0.04 -0.08 -0.52 -0.04 2.40 1.71 2fvzA1 GLN 224 HG3 -0.01 0.17 -0.09 -0.04 2.39 2.42 2fvzA1 GLN 224 HE21 0.02 -0.18 -0.18 -0.04 6.97 6.58 2fvzA1 GLN 224 HE22 -0.00 0.26 -0.22 -0.04 7.69 7.68 2fvzA1 PHE 225 H 0.25 0.26 0.20 -0.55 8.34 8.50 2fvzA1 PHE 225 HA -0.02 0.15 1.09 -0.75 4.62 5.09 2fvzA1 PHE 225 HB2 0.03 0.02 0.14 -0.04 3.15 3.29 2fvzA1 PHE 225 HB3 -0.00 0.03 0.06 -0.04 3.06 3.10 2fvzA1 PHE 225 HD2 0.05 -0.03 -0.03 -0.04 7.28 7.23 2fvzA1 PHE 225 HE2 0.05 0.04 -0.03 -0.04 7.38 7.39 2fvzA1 PHE 225 HZ -0.00 0.11 -0.04 -0.04 7.32 7.35 2fvzA1 GLY 226 H 0.00 0.44 0.32 -0.55 8.43 8.65 2fvzA1 GLY 226 HA2 -0.06 0.02 0.37 -0.51 4.01 3.84 2fvzA1 GLY 226 HA3 -0.02 0.02 0.50 -0.51 4.01 4.00 2fvzA1 LEU 227 H -0.15 0.60 0.01 -0.55 8.37 8.29 2fvzA1 LEU 227 HA -0.38 0.09 0.90 -0.75 4.35 4.21 2fvzA1 LEU 227 HB2 -0.09 -0.10 -0.10 -0.04 1.64 1.31 2fvzA1 LEU 227 HB3 -0.08 0.04 -0.31 -0.04 1.64 1.25 2fvzA1 LEU 227 HG -0.14 0.12 -0.54 -0.04 1.64 1.04 2fvzA1 LEU 227 HD13 0.03 -0.02 -0.30 -0.04 0.93 0.60 2fvzA1 LEU 227 HD23 -0.11 0.02 -0.45 -0.04 0.89 0.32 2fvzA1 HIS 228 H -0.75 0.08 0.09 -0.55 8.41 7.29 2fvzA1 HIS 228 HA -0.49 0.17 0.26 -0.75 4.63 3.82 2fvzA1 HIS 228 HB2 -2.00 -0.14 -0.01 -0.04 3.26 1.08 2fvzA1 HIS 228 HB3 -1.71 0.07 0.09 -0.04 3.20 1.60 2fvzA1 HIS 228 HD2 -0.07 0.08 -0.01 -0.04 6.97 6.92 2fvzA1 HIS 228 HE1 0.10 -0.01 0.09 -0.04 7.75 7.89 2fvzA1 CYS 229 H -0.68 0.22 0.14 -0.55 8.50 7.63 2fvzA1 CYS 229 HA -0.20 0.17 0.25 -0.75 4.58 4.05 2fvzA1 CYS 229 HB2 -0.09 -0.03 0.11 -0.04 2.97 2.92 2fvzA1 CYS 229 HB3 -0.16 0.24 0.16 -0.04 2.97 3.17 2fvzA1 TRP 230 H -0.84 0.11 -0.19 -0.55 7.97 6.51 2fvzA1 TRP 230 HA 0.03 0.13 0.37 -0.75 4.62 4.40 2fvzA1 TRP 230 HB2 0.05 0.00 -0.38 -0.04 3.23 2.86 2fvzA1 TRP 230 HB3 0.05 0.25 0.03 -0.04 3.23 3.52 2fvzA1 TRP 230 HD1 0.04 -0.01 -0.16 -0.04 7.22 7.05 2fvzA1 TRP 230 HE1 -0.13 0.02 0.02 -0.04 10.20 10.07 2fvzA1 TRP 230 HE3 0.04 0.13 -0.27 -0.04 7.59 7.45 2fvzA1 TRP 230 HZ2 -0.62 0.03 0.03 -0.04 7.44 6.84 2fvzA1 TRP 230 HZ3 0.02 0.22 -0.19 -0.04 7.13 7.14 2fvzA1 TRP 230 HH2 -0.06 0.14 -0.03 -0.04 7.19 7.20 2fvzA1 ASP 231 H -0.23 0.26 -0.58 -0.55 8.40 7.30 2fvzA1 ASP 231 HA 0.11 0.09 0.49 -0.75 4.63 4.57 2fvzA1 ASP 231 HB2 -0.08 0.28 -0.10 -0.04 2.71 2.77 2fvzA1 ASP 231 HB3 0.00 -0.08 -0.05 -0.04 2.70 2.53 2fvzA1 LEU 232 H -0.03 0.35 -0.62 -0.55 8.37 7.52 2fvzA1 LEU 232 HA -0.06 0.16 0.51 -0.75 4.35 4.21 2fvzA1 LEU 232 HB2 -0.10 0.04 -0.13 -0.04 1.64 1.41 2fvzA1 LEU 232 HB3 -0.07 0.05 -0.02 -0.04 1.64 1.56 2fvzA1 LEU 232 HG -0.06 -0.02 -0.20 -0.04 1.64 1.33 2fvzA1 LEU 232 HD13 -0.05 -0.01 -0.15 -0.04 0.93 0.68 2fvzA1 LEU 232 HD23 -0.08 0.02 -0.21 -0.04 0.89 0.59 2fvzA1 ALA 233 H 0.01 0.43 0.03 -0.55 8.40 8.32 2fvzA1 ALA 233 HA -0.04 0.06 0.11 -0.75 4.34 3.72 2fvzA1 ALA 233 HB3 -0.01 0.02 0.04 -0.04 1.41 1.42 2fvzA1 ALA 234 H 0.05 0.18 -0.14 -0.55 8.40 7.94 2fvzA1 ALA 234 HA 0.05 0.11 0.30 -0.75 4.34 4.05 2fvzA1 ALA 234 HB3 0.11 0.00 -0.24 -0.04 1.41 1.24 2fvzA1 ALA 235 H 0.00 0.11 -0.54 -0.55 8.40 7.42 2fvzA1 ALA 235 HA -0.02 0.04 0.09 -0.75 4.34 3.69 2fvzA1 ALA 235 HB3 -0.09 0.02 -0.09 -0.04 1.41 1.21 2fvzA1 THR 236 H -0.02 0.46 -0.49 -0.55 8.28 7.68 2fvzA1 THR 236 HA -0.03 -0.00 0.16 -0.75 4.39 3.76 2fvzA1 THR 236 HB -0.03 0.06 0.05 -0.04 4.32 4.35 2fvzA1 THR 236 HG23 -0.03 -0.02 -0.14 -0.04 1.22 0.99 2fvzA1 VAL 237 H -0.01 0.33 -0.11 -0.55 8.24 7.90 2fvzA1 VAL 237 HA 0.00 0.03 0.30 -0.75 4.13 3.70 2fvzA1 VAL 237 HB 0.06 0.03 -0.17 -0.04 2.12 2.00 2fvzA1 VAL 237 HG13 0.05 0.03 -0.39 -0.04 0.97 0.61 2fvzA1 VAL 237 HG23 -0.02 0.03 -0.25 -0.04 0.95 0.67 2fvzA1 ILE 238 H 0.04 0.32 -0.48 -0.55 8.25 7.57 2fvzA1 ILE 238 HA 0.06 0.04 0.32 -0.75 4.18 3.85 2fvzA1 ILE 238 HB 0.02 0.09 -0.04 -0.04 1.89 1.93 2fvzA1 ILE 238 HG12 0.16 0.14 -0.53 -0.04 1.49 1.22 2fvzA1 ILE 238 HG13 0.13 -0.06 -0.27 -0.04 1.21 0.97 2fvzA1 ILE 238 HG23 0.04 -0.00 -0.31 -0.04 0.93 0.61 2fvzA1 ILE 238 HD13 0.12 0.00 -0.44 -0.04 0.88 0.52 2fvzA1 ILE 239 H -0.01 0.79 -0.03 -0.55 8.25 8.45 2fvzA1 ILE 239 HA -0.01 -0.01 0.27 -0.75 4.18 3.68 2fvzA1 ILE 239 HB -0.02 0.03 -0.02 -0.04 1.89 1.84 2fvzA1 ILE 239 HG12 -0.05 -0.02 -0.10 -0.04 1.49 1.27 2fvzA1 ILE 239 HG13 -0.05 0.50 -0.11 -0.04 1.21 1.51 2fvzA1 ILE 239 HG23 -0.01 -0.03 -0.27 -0.04 0.93 0.58 2fvzA1 ILE 239 HD13 -0.07 -0.06 -0.17 -0.04 0.88 0.54 2fvzA1 ARG 240 H -0.01 0.89 -0.19 -0.55 8.46 8.60 2fvzA1 ARG 240 HA -0.01 0.17 0.38 -0.75 4.34 4.13 2fvzA1 ARG 240 HB2 -0.01 0.10 0.08 -0.04 1.90 2.04 2fvzA1 ARG 240 HB3 -0.01 -0.03 -0.03 -0.04 1.80 1.70 2fvzA1 ARG 240 HG2 -0.01 0.06 0.03 -0.04 1.67 1.70 2fvzA1 ARG 240 HG3 -0.01 -0.09 -0.07 -0.04 1.67 1.46 2fvzA1 ARG 240 HD2 -0.02 -0.02 -0.10 -0.04 3.22 3.04 2fvzA1 ARG 240 HD3 -0.02 -0.00 -0.01 -0.04 3.22 3.15 2fvzA1 GLU 241 H 0.00 0.85 -0.04 -0.55 8.60 8.87 2fvzA1 GLU 241 HA -0.01 -0.07 0.32 -0.75 4.29 3.78 2fvzA1 GLU 241 HB2 0.01 0.12 0.08 -0.04 2.09 2.26 2fvzA1 GLU 241 HB3 -0.02 -0.21 -0.23 -0.04 1.99 1.50 2fvzA1 GLU 241 HG2 0.02 0.08 -0.03 -0.04 2.34 2.37 2fvzA1 GLU 241 HG3 0.04 0.14 -0.09 -0.04 2.34 2.38 2fvzA1 ALA 242 H -0.01 0.46 -0.54 -0.55 8.40 7.76 2fvzA1 ALA 242 HA -0.05 0.19 0.64 -0.75 4.34 4.36 2fvzA1 ALA 242 HB3 -0.01 -0.01 0.04 -0.04 1.41 1.39 2fvzA1 GLY 243 H -0.01 0.86 -0.17 -0.55 8.43 8.55 2fvzA1 GLY 243 HA2 -0.01 -0.03 0.34 -0.51 4.01 3.81 2fvzA1 GLY 243 HA3 -0.01 0.06 0.68 -0.51 4.01 4.23 2fvzA1 GLY 244 H -0.01 0.49 0.10 -0.55 8.43 8.47 2fvzA1 GLY 244 HA2 0.00 0.15 0.57 -0.51 4.01 4.21 2fvzA1 GLY 244 HA3 0.00 -0.01 0.28 -0.51 4.01 3.78 2fvzA1 ILE 245 H 0.01 0.49 0.19 -0.55 8.25 8.38 2fvzA1 ILE 245 HA -0.00 0.21 0.88 -0.75 4.18 4.51 2fvzA1 ILE 245 HB 0.00 -0.09 -0.18 -0.04 1.89 1.59 2fvzA1 ILE 245 HG12 0.00 -0.01 -0.50 -0.04 1.49 0.95 2fvzA1 ILE 245 HG13 -0.00 -0.12 -0.18 -0.04 1.21 0.88 2fvzA1 ILE 245 HG23 -0.00 0.01 -0.15 -0.04 0.93 0.74 2fvzA1 ILE 245 HD13 -0.00 0.20 -0.13 -0.04 0.88 0.91 2fvzA1 VAL 246 H -0.01 0.23 0.09 -0.55 8.24 8.00 2fvzA1 VAL 246 HA 0.01 0.30 1.04 -0.75 4.13 4.73 2fvzA1 VAL 246 HB -0.02 -0.02 0.05 -0.04 2.12 2.09 2fvzA1 VAL 246 HG13 -0.02 -0.03 -0.23 -0.04 0.97 0.66 2fvzA1 VAL 246 HG23 -0.01 -0.02 -0.30 -0.04 0.95 0.58 2fvzA1 ILE 247 H -0.00 0.74 0.28 -0.55 8.25 8.71 2fvzA1 ILE 247 HA -0.02 0.05 0.98 -0.75 4.18 4.44 2fvzA1 ILE 247 HB -0.02 0.44 0.03 -0.04 1.89 2.30 2fvzA1 ILE 247 HG12 -0.01 0.02 0.01 -0.04 1.49 1.47 2fvzA1 ILE 247 HG13 -0.02 0.31 -0.20 -0.04 1.21 1.25 2fvzA1 ILE 247 HG23 -0.01 -0.04 -0.28 -0.04 0.93 0.56 2fvzA1 ILE 247 HD13 -0.01 0.03 -0.13 -0.04 0.88 0.73 2fvzA1 ASP 248 H -0.03 0.45 -0.35 -0.55 8.40 7.93 2fvzA1 ASP 248 HA -0.07 0.01 0.45 -0.75 4.63 4.27 2fvzA1 ASP 248 HB2 -0.04 0.26 -0.03 -0.04 2.71 2.85 2fvzA1 ASP 248 HB3 -0.03 -0.00 -0.23 -0.04 2.70 2.40 2fvzA1 THR 249 H -0.14 0.10 -0.02 -0.55 8.28 7.67 2fvzA1 THR 249 HA -0.10 0.16 0.18 -0.75 4.39 3.88 2fvzA1 THR 249 HB -0.50 -0.11 0.08 -0.04 4.32 3.75 2fvzA1 THR 249 HG23 0.04 -0.00 -0.14 -0.04 1.22 1.08 2fvzA1 SER 250 H -0.02 -0.08 -0.43 -0.55 8.46 7.38 2fvzA1 SER 250 HA 0.02 0.25 0.34 -0.75 4.49 4.35 2fvzA1 SER 250 HB2 0.01 0.08 0.06 -0.04 3.95 4.06 2fvzA1 SER 250 HB3 0.02 -0.03 0.03 -0.04 3.93 3.90 2fvzA1 GLY 251 H -0.02 0.48 -0.60 -0.55 8.43 7.75 2fvzA1 GLY 251 HA2 -0.01 0.03 0.24 -0.51 4.01 3.76 2fvzA1 GLY 251 HA3 -0.01 0.19 0.74 -0.51 4.01 4.41 2fvzA1 GLY 252 H -0.01 -0.06 -0.41 -0.55 8.43 7.40 2fvzA1 GLY 252 HA2 -0.01 0.13 0.44 -0.51 4.01 4.06 2fvzA1 GLY 252 HA3 -0.01 0.01 0.26 -0.51 4.01 3.76 2fvzA1 PRO 253 HA -0.02 0.10 0.48 -0.51 4.44 4.49 2fvzA1 PRO 253 HB2 -0.02 0.07 -0.03 -0.04 2.28 2.26 2fvzA1 PRO 253 HB3 -0.02 0.05 0.13 -0.04 2.02 2.14 2fvzA1 PRO 253 HG2 -0.01 0.05 0.07 -0.04 2.03 2.09 2fvzA1 PRO 253 HG3 -0.01 0.07 0.09 -0.04 2.03 2.14 2fvzA1 PRO 253 HD2 -0.01 0.08 0.15 -0.04 3.68 3.85 2fvzA1 PRO 253 HD3 -0.01 0.14 0.20 -0.04 3.65 3.94 2fvzA1 LEU 254 H -0.03 0.20 0.21 -0.55 8.37 8.21 2fvzA1 LEU 254 HA -0.04 -0.01 0.26 -0.75 4.35 3.80 2fvzA1 LEU 254 HB2 -0.03 0.21 0.00 -0.04 1.64 1.78 2fvzA1 LEU 254 HB3 -0.04 0.01 0.07 -0.04 1.64 1.64 2fvzA1 LEU 254 HG -0.05 -0.10 -0.25 -0.04 1.64 1.20 2fvzA1 LEU 254 HD13 -0.04 0.02 -0.24 -0.04 0.93 0.63 2fvzA1 LEU 254 HD23 -0.05 -0.00 -0.14 -0.04 0.89 0.65 2fvzA1 ASP 255 H -0.05 0.18 0.04 -0.55 8.40 8.02 2fvzA1 ASP 255 HA -0.04 0.21 0.79 -0.75 4.63 4.83 2fvzA1 ASP 255 HB2 -0.03 0.19 -0.04 -0.04 2.71 2.79 2fvzA1 ASP 255 HB3 -0.04 -0.01 0.13 -0.04 2.70 2.75 2fvzA1 LEU 256 H -0.05 0.29 0.05 -0.55 8.37 8.12 2fvzA1 LEU 256 HA -0.07 0.05 0.24 -0.75 4.35 3.82 2fvzA1 LEU 256 HB2 -0.05 0.05 0.14 -0.04 1.64 1.74 2fvzA1 LEU 256 HB3 -0.05 0.17 0.03 -0.04 1.64 1.75 2fvzA1 LEU 256 HG -0.06 -0.09 0.04 -0.04 1.64 1.49 2fvzA1 LEU 256 HD13 -0.06 0.00 -0.05 -0.04 0.93 0.77 2fvzA1 LEU 256 HD23 -0.06 0.02 -0.06 -0.04 0.89 0.76 2fvzA1 MET 257 H -0.04 0.09 -0.37 -0.55 8.47 7.61 2fvzA1 MET 257 HA -0.05 0.07 0.60 -0.75 4.52 4.39 2fvzA1 MET 257 HB2 -0.02 0.01 0.03 -0.04 2.15 2.13 2fvzA1 MET 257 HB3 -0.01 0.07 0.02 -0.04 2.03 2.06 2fvzA1 MET 257 HG2 -0.00 -0.12 0.01 -0.04 2.63 2.47 2fvzA1 MET 257 HG3 -0.01 0.14 -0.18 -0.04 2.56 2.47 2fvzA1 MET 257 HE3 0.01 0.01 -0.04 -0.04 2.10 2.04 2fvzA1 ALA 258 H -0.05 0.73 -0.19 -0.55 8.40 8.34 2fvzA1 ALA 258 HA -0.03 0.11 0.47 -0.75 4.34 4.13 2fvzA1 ALA 258 HB3 -0.05 0.00 0.13 -0.04 1.41 1.45 2fvzA1 CYS 259 H -0.09 0.21 -0.31 -0.55 8.50 7.76 2fvzA1 CYS 259 HA -0.15 0.21 0.26 -0.75 4.58 4.15 2fvzA1 CYS 259 HB2 -0.07 0.19 -0.46 -0.04 2.97 2.58 2fvzA1 CYS 259 HB3 -0.13 -0.25 0.14 -0.04 2.97 2.69 2fvzA1 ARG 260 H -0.12 0.13 -0.23 -0.55 8.46 7.69 2fvzA1 ARG 260 HA -0.20 0.22 0.68 -0.75 4.34 4.29 2fvzA1 ARG 260 HB2 -0.60 0.03 0.25 -0.04 1.90 1.54 2fvzA1 ARG 260 HB3 -0.31 0.01 0.08 -0.04 1.80 1.53 2fvzA1 ARG 260 HG2 -0.13 -0.07 -0.19 -0.04 1.67 1.25 2fvzA1 ARG 260 HG3 -0.20 -0.26 -0.09 -0.04 1.67 1.09 2fvzA1 ARG 260 HD2 -0.22 0.04 0.02 -0.04 3.22 3.02 2fvzA1 ARG 260 HD3 -0.04 0.16 0.01 -0.04 3.22 3.31 2fvzA1 VAL 261 H -0.25 0.41 0.29 -0.55 8.24 8.13 2fvzA1 VAL 261 HA -0.07 0.19 0.63 -0.75 4.13 4.13 2fvzA1 VAL 261 HB -0.02 0.04 -0.44 -0.04 2.12 1.66 2fvzA1 VAL 261 HG13 0.17 -0.00 -0.32 -0.04 0.97 0.78 2fvzA1 VAL 261 HG23 0.03 -0.01 -0.20 -0.04 0.95 0.73 2fvzA1 VAL 262 H -0.02 0.73 0.14 -0.55 8.24 8.55 2fvzA1 VAL 262 HA 0.05 0.35 0.48 -0.75 4.13 4.25 2fvzA1 VAL 262 HB -0.01 0.01 -0.05 -0.04 2.12 2.03 2fvzA1 VAL 262 HG13 0.02 0.03 -0.14 -0.04 0.97 0.83 2fvzA1 VAL 262 HG23 -0.02 0.00 -0.03 -0.04 0.95 0.85 2fvzA1 ALA 263 H 0.15 0.48 0.16 -0.55 8.40 8.64 2fvzA1 ALA 263 HA 0.04 0.45 1.23 -0.75 4.34 5.30 2fvzA1 ALA 263 HB3 0.06 -0.03 -0.03 -0.04 1.41 1.37 2fvzA1 ALA 264 H 0.03 0.64 0.33 -0.55 8.40 8.85 2fvzA1 ALA 264 HA 0.05 0.19 0.84 -0.75 4.34 4.67 2fvzA1 ALA 264 HB3 0.02 -0.00 -0.07 -0.04 1.41 1.32 2fvzA1 SER 265 H 0.03 0.46 0.23 -0.55 8.46 8.63 2fvzA1 SER 265 HA 0.02 0.16 0.71 -0.75 4.49 4.62 2fvzA1 SER 265 HB2 0.02 -0.33 0.20 -0.04 3.95 3.80 2fvzA1 SER 265 HB3 0.02 0.04 0.30 -0.04 3.93 4.25 2fvzA1 THR 266 H 0.01 0.12 0.07 -0.55 8.28 7.94 2fvzA1 THR 266 HA 0.00 0.32 0.72 -0.75 4.39 4.67 2fvzA1 THR 266 HB 0.00 -0.13 0.09 -0.04 4.32 4.24 2fvzA1 THR 266 HG23 0.01 0.05 -0.25 -0.04 1.22 0.98 2fvzA1 ARG 267 H 0.00 0.29 0.11 -0.55 8.46 8.31 2fvzA1 ARG 267 HA 0.00 0.09 0.37 -0.75 4.34 4.05 2fvzA1 ARG 267 HB2 -0.00 0.06 0.05 -0.04 1.90 1.97 2fvzA1 ARG 267 HB3 -0.00 0.01 0.09 -0.04 1.80 1.85 2fvzA1 ARG 267 HG2 -0.00 0.00 -0.19 -0.04 1.67 1.44 2fvzA1 ARG 267 HG3 -0.00 0.02 0.08 -0.04 1.67 1.72 2fvzA1 ARG 267 HD2 -0.00 0.00 -0.02 -0.04 3.22 3.16 2fvzA1 ARG 267 HD3 -0.00 0.03 -0.02 -0.04 3.22 3.18 2fvzA1 GLU 268 H 0.00 0.03 -0.29 -0.55 8.60 7.80 2fvzA1 GLU 268 HA -0.00 0.16 0.62 -0.75 4.29 4.31 2fvzA1 GLU 268 HB2 0.00 -0.07 0.13 -0.04 2.09 2.11 2fvzA1 GLU 268 HB3 -0.00 0.09 0.05 -0.04 1.99 2.09 2fvzA1 GLU 268 HG2 -0.00 0.06 0.03 -0.04 2.34 2.39 2fvzA1 GLU 268 HG3 -0.00 0.03 0.00 -0.04 2.34 2.34 2fvzA1 MET 269 H 0.00 0.07 -0.03 -0.55 8.47 7.97 2fvzA1 MET 269 HA 0.00 0.08 0.39 -0.75 4.52 4.23 2fvzA1 MET 269 HB2 0.01 0.16 0.15 -0.04 2.15 2.43 2fvzA1 MET 269 HB3 0.01 -0.12 0.24 -0.04 2.03 2.12 2fvzA1 MET 269 HG2 0.03 0.20 0.07 -0.04 2.63 2.89 2fvzA1 MET 269 HG3 0.02 -0.01 -0.21 -0.04 2.56 2.32 2fvzA1 MET 269 HE3 0.02 0.05 -0.70 -0.04 2.10 1.43 2fvzA1 ALA 270 H 0.01 0.60 -0.13 -0.55 8.40 8.34 2fvzA1 ALA 270 HA 0.01 0.02 0.27 -0.75 4.34 3.88 2fvzA1 ALA 270 HB3 0.01 0.01 -0.06 -0.04 1.41 1.32 2fvzA1 MET 271 H -0.00 0.26 -0.59 -0.55 8.47 7.60 2fvzA1 MET 271 HA -0.01 0.05 0.41 -0.75 4.52 4.22 2fvzA1 MET 271 HB2 -0.00 0.15 0.32 -0.04 2.15 2.58 2fvzA1 MET 271 HB3 -0.01 -0.05 0.02 -0.04 2.03 1.95 2fvzA1 MET 271 HG2 -0.01 -0.06 0.04 -0.04 2.63 2.56 2fvzA1 MET 271 HG3 -0.01 -0.02 0.04 -0.04 2.56 2.53 2fvzA1 MET 271 HE3 -0.01 0.05 0.04 -0.04 2.10 2.14 2fvzA1 LEU 272 H -0.01 0.54 0.02 -0.55 8.37 8.37 2fvzA1 LEU 272 HA -0.01 -0.01 0.44 -0.75 4.35 4.01 2fvzA1 LEU 272 HB2 -0.01 0.13 0.17 -0.04 1.64 1.88 2fvzA1 LEU 272 HB3 -0.02 -0.03 0.05 -0.04 1.64 1.60 2fvzA1 LEU 272 HG -0.01 0.04 0.07 -0.04 1.64 1.70 2fvzA1 LEU 272 HD13 -0.01 -0.07 0.03 -0.04 0.93 0.84 2fvzA1 LEU 272 HD23 -0.01 -0.01 0.05 -0.04 0.89 0.88 2fvzA1 ILE 273 H -0.02 0.31 -0.47 -0.55 8.25 7.52 2fvzA1 ILE 273 HA -0.07 0.04 0.35 -0.75 4.18 3.75 2fvzA1 ILE 273 HB -0.02 0.05 0.08 -0.04 1.89 1.97 2fvzA1 ILE 273 HG12 -0.04 -0.06 -0.11 -0.04 1.49 1.24 2fvzA1 ILE 273 HG13 -0.04 -0.01 -0.11 -0.04 1.21 1.01 2fvzA1 ILE 273 HG23 -0.08 0.00 -0.24 -0.04 0.93 0.57 2fvzA1 ILE 273 HD13 0.01 0.06 -0.16 -0.04 0.88 0.76 2fvzA1 ALA 274 H -0.02 0.40 -0.01 -0.55 8.40 8.23 2fvzA1 ALA 274 HA -0.02 0.04 0.44 -0.75 4.34 4.05 2fvzA1 ALA 274 HB3 -0.01 -0.05 -0.10 -0.04 1.41 1.21 2fvzA1 GLN 275 H -0.02 0.23 -0.51 -0.55 8.47 7.62 2fvzA1 GLN 275 HA -0.01 -0.01 0.48 -0.75 4.36 4.07 2fvzA1 GLN 275 HB2 -0.02 0.21 0.11 -0.04 2.15 2.41 2fvzA1 GLN 275 HB3 -0.02 -0.09 0.11 -0.04 2.02 1.98 2fvzA1 GLN 275 HG2 -0.01 -0.09 -0.02 -0.04 2.40 2.23 2fvzA1 GLN 275 HG3 -0.01 -0.04 -0.06 -0.04 2.39 2.23 2fvzA1 GLN 275 HE21 -0.01 -0.05 -0.01 -0.04 6.97 6.86 2fvzA1 GLN 275 HE22 -0.01 -0.01 0.00 -0.04 7.69 7.63 2fvzA1 ALA 276 H -0.03 0.29 0.05 -0.55 8.40 8.16 2fvzA1 ALA 276 HA -0.04 -0.12 0.53 -0.75 4.34 3.96 2fvzA1 ALA 276 HB3 -0.06 -0.02 0.04 -0.04 1.41 1.33 2fvzA1 LEU 277 H -0.05 -0.06 0.05 -0.55 8.37 7.77 2fvzA1 LEU 277 HA -0.06 -0.08 0.16 -0.75 4.35 3.62