============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 2 0.840 -23.831 25.162 11.737 -99.200 -91.000 HIS 8 0.900 -21.385 16.024 11.942 -99.200 -91.000 TYR 10 0.840 -19.811 12.920 0.426 -99.200 -91.000 PHE 22 1.000 -42.008 5.988 12.133 -99.200 -91.000 PHE 29 1.000 -45.710 9.192 -0.298 -99.200 -91.000 HIS 30 0.900 -42.014 12.463 2.095 -99.200 -91.000 TYR 37 0.840 -32.619 5.954 -3.146 -99.200 -91.000 HIS 54 0.900 -45.982 4.854 11.339 -99.200 -91.000 PHE 60 1.000 -37.253 4.522 19.691 -99.200 -91.000 TYR 78 0.840 -40.490 14.311 6.466 -99.200 -91.000 PHE 83 1.000 -46.939 22.809 17.659 -99.200 -91.000 HIS 116 0.900 -27.696 33.722 20.124 -99.200 -91.000 HIS 148 0.900 -38.026 7.779 -9.913 -99.200 -91.000 HIS 150 0.900 -31.524 12.116 -6.994 -99.200 -91.000 TYR 166 0.840 -36.943 17.172 -7.034 -99.200 -91.000 HIS 170 0.900 -34.865 13.668 -16.977 -99.200 -91.000 PHE 190 1.000 -32.841 35.521 8.435 -99.200 -91.000 PHE 195 1.000 -26.399 28.535 -2.989 -99.200 -91.000 PHE 202 1.000 -21.264 19.623 -3.457 -99.200 -91.000 PHE 228 1.000 -15.444 28.146 -0.477 -99.200 -91.000 HIS 232 0.900 -11.083 28.840 0.172 -99.200 -91.000 PHE 244 1.000 -31.684 29.113 -14.701 -99.200 -91.000 TYR 295 0.840 -21.299 15.023 -22.370 -99.200 -91.000 PHE 298 1.000 -17.174 16.666 -15.485 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fpiA1 SER 2 HA 0.04 0.07 0.12 -0.75 4.49 3.98 2fpiA1 SER 2 HB2 0.04 -0.11 0.10 -0.04 3.95 3.95 2fpiA1 SER 2 HB3 0.03 0.05 0.06 -0.04 3.93 4.02 2fpiA1 TYR 3 H 0.14 0.07 0.11 -0.55 8.29 8.06 2fpiA1 TYR 3 HA -0.00 0.37 0.61 -0.75 4.56 4.78 2fpiA1 TYR 3 HB2 -0.02 0.10 0.15 -0.04 3.06 3.26 2fpiA1 TYR 3 HB3 -0.02 -0.16 0.11 -0.04 2.98 2.87 2fpiA1 TYR 3 HD2 -0.02 0.08 0.06 -0.04 7.15 7.23 2fpiA1 TYR 3 HE2 -0.03 0.09 0.09 -0.04 6.85 6.96 2fpiA1 THR 4 H 0.07 0.03 0.04 -0.55 8.28 7.87 2fpiA1 THR 4 HA -0.06 0.03 0.38 -0.75 4.39 3.98 2fpiA1 THR 4 HB 0.00 0.07 -0.01 -0.04 4.32 4.34 2fpiA1 THR 4 HG23 0.00 0.00 0.04 -0.04 1.22 1.22 2fpiA1 ALA 5 H -0.01 0.09 -0.51 -0.55 8.40 7.42 2fpiA1 ALA 5 HA -0.04 -0.02 0.28 -0.75 4.34 3.81 2fpiA1 ALA 5 HB3 -0.00 0.07 0.04 -0.04 1.41 1.47 2fpiA1 SER 6 H -0.16 0.59 -0.57 -0.55 8.46 7.78 2fpiA1 SER 6 HA 0.09 0.16 0.86 -0.75 4.49 4.85 2fpiA1 SER 6 HB2 0.15 -0.01 -0.17 -0.04 3.95 3.88 2fpiA1 SER 6 HB3 -0.04 0.16 -0.06 -0.04 3.93 3.95 2fpiA1 ARG 7 H -0.13 0.60 0.11 -0.55 8.46 8.49 2fpiA1 ARG 7 HA -0.14 -0.00 0.39 -0.75 4.34 3.83 2fpiA1 ARG 7 HB2 -0.09 -0.01 0.11 -0.04 1.90 1.88 2fpiA1 ARG 7 HB3 -0.10 -0.01 0.00 -0.04 1.80 1.65 2fpiA1 ARG 7 HG2 -0.15 -0.13 0.13 -0.04 1.67 1.48 2fpiA1 ARG 7 HG3 -0.14 0.34 0.30 -0.04 1.67 2.13 2fpiA1 ARG 7 HD2 -0.07 0.02 0.07 -0.04 3.22 3.19 2fpiA1 ARG 7 HD3 -0.11 0.07 0.10 -0.04 3.22 3.24 2fpiA1 LYS 8 H -0.10 0.16 -0.37 -0.55 8.42 7.56 2fpiA1 LYS 8 HA -0.03 0.02 0.29 -0.75 4.32 3.85 2fpiA1 LYS 8 HB2 -0.10 0.00 0.02 -0.04 1.87 1.75 2fpiA1 LYS 8 HB3 -0.08 -0.02 0.03 -0.04 1.79 1.68 2fpiA1 LYS 8 HG2 -0.21 0.12 -0.05 -0.04 1.46 1.28 2fpiA1 LYS 8 HG3 -0.52 0.05 -0.16 -0.04 1.46 0.79 2fpiA1 LYS 8 HD2 -0.20 -0.02 -0.06 -0.04 1.69 1.36 2fpiA1 LYS 8 HD3 -0.11 -0.05 -0.02 -0.04 1.68 1.46 2fpiA1 LYS 8 HE2 -0.20 0.09 0.03 -0.04 2.99 2.87 2fpiA1 LYS 8 HE3 -0.10 -0.07 -0.00 -0.04 2.99 2.78 2fpiA1 HIS 9 H -0.06 0.50 -0.46 -0.55 8.41 7.84 2fpiA1 HIS 9 HA 0.01 0.02 0.26 -0.75 4.63 4.17 2fpiA1 HIS 9 HB2 -0.05 0.09 -0.00 -0.04 3.26 3.26 2fpiA1 HIS 9 HB3 -0.02 -0.11 -0.13 -0.04 3.20 2.90 2fpiA1 HIS 9 HD2 -0.01 -0.09 -0.01 -0.04 6.97 6.82 2fpiA1 HIS 9 HE1 -0.03 0.04 0.06 -0.04 7.75 7.79 2fpiA1 LEU 10 H 0.02 0.63 -0.38 -0.55 8.37 8.09 2fpiA1 LEU 10 HA 0.02 -0.04 0.31 -0.75 4.35 3.89 2fpiA1 LEU 10 HB2 -0.06 0.14 0.03 -0.04 1.64 1.71 2fpiA1 LEU 10 HB3 -0.07 -0.11 -0.06 -0.04 1.64 1.35 2fpiA1 LEU 10 HG -0.05 0.05 -0.04 -0.04 1.64 1.56 2fpiA1 LEU 10 HD13 -0.12 0.00 -0.05 -0.04 0.93 0.72 2fpiA1 LEU 10 HD23 -0.05 -0.04 -0.11 -0.04 0.89 0.65 2fpiA1 TYR 11 H 0.14 0.40 -0.31 -0.55 8.29 7.97 2fpiA1 TYR 11 HA 0.04 0.02 0.41 -0.75 4.56 4.29 2fpiA1 TYR 11 HB2 0.00 0.01 0.09 -0.04 3.06 3.13 2fpiA1 TYR 11 HB3 0.01 -0.01 0.18 -0.04 2.98 3.12 2fpiA1 TYR 11 HD2 0.04 0.11 -0.11 -0.04 7.15 7.16 2fpiA1 TYR 11 HE2 0.08 0.04 -0.02 -0.04 6.85 6.91 2fpiA1 VAL 12 H 0.10 0.38 0.07 -0.55 8.24 8.23 2fpiA1 VAL 12 HA 0.10 0.06 0.26 -0.75 4.13 3.80 2fpiA1 VAL 12 HB 0.06 -0.06 -0.03 -0.04 2.12 2.05 2fpiA1 VAL 12 HG13 0.05 0.04 -0.07 -0.04 0.97 0.94 2fpiA1 VAL 12 HG23 0.06 -0.02 -0.22 -0.04 0.95 0.73 2fpiA1 ASP 13 H 0.07 0.17 0.19 -0.55 8.40 8.29 2fpiA1 ASP 13 HA 0.10 0.13 0.51 -0.75 4.63 4.61 2fpiA1 ASP 13 HB2 0.04 -0.10 0.16 -0.04 2.71 2.77 2fpiA1 ASP 13 HB3 0.07 0.27 -0.14 -0.04 2.70 2.86 2fpiA1 LYS 14 H 0.04 0.17 0.12 -0.55 8.42 8.21 2fpiA1 LYS 14 HA 0.04 0.33 0.39 -0.75 4.32 4.32 2fpiA1 LYS 14 HB2 0.01 0.06 0.19 -0.04 1.87 2.09 2fpiA1 LYS 14 HB3 0.02 0.03 0.25 -0.04 1.79 2.05 2fpiA1 LYS 14 HG2 0.02 -0.04 0.09 -0.04 1.46 1.49 2fpiA1 LYS 14 HG3 0.01 -0.01 -0.11 -0.04 1.46 1.31 2fpiA1 LYS 14 HD2 0.00 0.00 -0.01 -0.04 1.69 1.65 2fpiA1 LYS 14 HD3 0.01 0.05 0.05 -0.04 1.68 1.74 2fpiA1 LYS 14 HE2 0.00 -0.02 -0.01 -0.04 2.99 2.92 2fpiA1 LYS 14 HE3 0.00 -0.02 0.00 -0.04 2.99 2.94 2fpiA1 ASN 15 H 0.02 -0.04 -0.56 -0.55 8.53 7.41 2fpiA1 ASN 15 HA 0.01 0.19 0.72 -0.75 4.76 4.93 2fpiA1 ASN 15 HB2 0.01 -0.02 -0.01 -0.04 2.88 2.82 2fpiA1 ASN 15 HB3 0.01 0.01 0.00 -0.04 2.79 2.77 2fpiA1 ASN 15 HD21 -0.00 -0.01 -0.02 -0.04 7.03 6.95 2fpiA1 ASN 15 HD22 -0.01 0.02 -0.02 -0.04 7.74 7.69 2fpiA1 THR 16 H 0.03 0.48 -0.07 -0.55 8.28 8.17 2fpiA1 THR 16 HA 0.02 0.05 0.56 -0.75 4.39 4.26 2fpiA1 THR 16 HB 0.04 0.06 0.13 -0.04 4.32 4.51 2fpiA1 THR 16 HG23 0.03 -0.01 -0.25 -0.04 1.22 0.94 2fpiA1 LYS 17 H 0.01 0.12 0.25 -0.55 8.42 8.24 2fpiA1 LYS 17 HA 0.00 0.28 1.01 -0.75 4.32 4.86 2fpiA1 LYS 17 HB2 -0.02 -0.13 0.11 -0.04 1.87 1.79 2fpiA1 LYS 17 HB3 -0.01 0.13 0.17 -0.04 1.79 2.05 2fpiA1 LYS 17 HG2 0.00 0.15 0.10 -0.04 1.46 1.67 2fpiA1 LYS 17 HG3 -0.01 -0.08 0.09 -0.04 1.46 1.43 2fpiA1 LYS 17 HD2 -0.00 -0.01 0.03 -0.04 1.69 1.67 2fpiA1 LYS 17 HD3 -0.01 0.06 0.09 -0.04 1.68 1.78 2fpiA1 LYS 17 HE2 0.00 0.07 -0.02 -0.04 2.99 3.00 2fpiA1 LYS 17 HE3 0.00 -0.02 0.03 -0.04 2.99 2.96 2fpiA1 VAL 18 H -0.01 0.56 0.13 -0.55 8.24 8.37 2fpiA1 VAL 18 HA -0.02 0.29 1.01 -0.75 4.13 4.65 2fpiA1 VAL 18 HB -0.01 -0.06 -0.16 -0.04 2.12 1.85 2fpiA1 VAL 18 HG13 0.01 -0.01 -0.27 -0.04 0.97 0.65 2fpiA1 VAL 18 HG23 0.02 0.03 -0.28 -0.04 0.95 0.68 2fpiA1 ILE 19 H -0.05 0.73 0.38 -0.55 8.25 8.76 2fpiA1 ILE 19 HA -0.15 0.06 0.77 -0.75 4.18 4.11 2fpiA1 ILE 19 HB -0.16 -0.14 -0.15 -0.04 1.89 1.40 2fpiA1 ILE 19 HG12 -0.08 0.24 0.05 -0.04 1.49 1.65 2fpiA1 ILE 19 HG13 -0.06 -0.16 0.08 -0.04 1.21 1.03 2fpiA1 ILE 19 HG23 -0.19 0.02 -0.22 -0.04 0.93 0.50 2fpiA1 ILE 19 HD13 -0.11 -0.01 -0.22 -0.04 0.88 0.51 2fpiA1 CYS 20 H -0.22 0.38 -0.06 -0.55 8.50 8.05 2fpiA1 CYS 20 HA 0.07 0.20 0.92 -0.75 4.58 5.01 2fpiA1 CYS 20 HB2 0.04 0.03 -0.05 -0.04 2.97 2.95 2fpiA1 CYS 20 HB3 -0.17 0.18 0.18 -0.04 2.97 3.12 2fpiA1 GLN 21 H 0.08 0.57 0.27 -0.55 8.47 8.84 2fpiA1 GLN 21 HA 0.06 -0.11 0.52 -0.75 4.36 4.08 2fpiA1 GLN 21 HB2 0.08 -0.11 0.16 -0.04 2.15 2.23 2fpiA1 GLN 21 HB3 0.06 -0.04 0.01 -0.04 2.02 2.00 2fpiA1 GLN 21 HG2 0.01 -0.01 -0.08 -0.04 2.40 2.28 2fpiA1 GLN 21 HG3 0.03 0.12 -0.11 -0.04 2.39 2.39 2fpiA1 GLN 21 HE21 0.02 0.12 -0.06 -0.04 6.97 7.01 2fpiA1 GLN 21 HE22 0.04 -0.08 -0.06 -0.04 7.69 7.54 2fpiA1 GLY 22 H 0.13 0.47 0.30 -0.55 8.43 8.78 2fpiA1 GLY 22 HA2 0.11 -0.02 0.34 -0.51 4.01 3.93 2fpiA1 GLY 22 HA3 0.16 0.04 0.82 -0.51 4.01 4.52 2fpiA1 PHE 23 H 0.25 0.45 0.26 -0.55 8.34 8.75 2fpiA1 PHE 23 HA 0.02 0.11 0.35 -0.75 4.62 4.35 2fpiA1 PHE 23 HB2 0.06 0.07 0.14 -0.04 3.15 3.37 2fpiA1 PHE 23 HB3 -0.00 -0.09 -0.07 -0.04 3.06 2.86 2fpiA1 PHE 23 HD2 0.11 -0.04 -0.06 -0.04 7.28 7.24 2fpiA1 PHE 23 HE2 0.16 0.06 -0.11 -0.04 7.38 7.44 2fpiA1 PHE 23 HZ 0.10 0.19 -0.13 -0.04 7.32 7.44 2fpiA1 THR 24 H -0.07 0.06 -0.06 -0.55 8.28 7.66 2fpiA1 THR 24 HA -0.84 0.24 0.54 -0.75 4.39 3.57 2fpiA1 THR 24 HB -0.28 0.02 0.05 -0.04 4.32 4.07 2fpiA1 THR 24 HG23 -0.55 0.01 -0.09 -0.04 1.22 0.55 2fpiA1 GLY 25 H -0.00 0.06 -0.50 -0.55 8.43 7.44 2fpiA1 GLY 25 HA2 0.00 0.07 0.38 -0.51 4.01 3.95 2fpiA1 GLY 25 HA3 0.04 0.01 0.28 -0.51 4.01 3.84 2fpiA1 LYS 26 H 0.02 0.15 0.18 -0.55 8.42 8.22 2fpiA1 LYS 26 HA 0.03 0.13 0.36 -0.75 4.32 4.09 2fpiA1 LYS 26 HB2 0.02 0.04 0.17 -0.04 1.87 2.06 2fpiA1 LYS 26 HB3 0.03 -0.04 0.13 -0.04 1.79 1.87 2fpiA1 LYS 26 HG2 0.01 0.00 -0.08 -0.04 1.46 1.35 2fpiA1 LYS 26 HG3 0.01 0.02 0.14 -0.04 1.46 1.60 2fpiA1 LYS 26 HD2 0.01 0.02 0.05 -0.04 1.69 1.73 2fpiA1 LYS 26 HD3 0.01 -0.02 0.04 -0.04 1.68 1.67 2fpiA1 LYS 26 HE2 -0.01 0.01 0.02 -0.04 2.99 2.97 2fpiA1 LYS 26 HE3 -0.00 -0.01 -0.00 -0.04 2.99 2.93 2fpiA1 GLN 27 H 0.06 -0.06 -0.66 -0.55 8.47 7.26 2fpiA1 GLN 27 HA 0.06 0.18 0.79 -0.75 4.36 4.64 2fpiA1 GLN 27 HB2 0.17 -0.01 0.11 -0.04 2.15 2.38 2fpiA1 GLN 27 HB3 0.29 0.03 -0.05 -0.04 2.02 2.24 2fpiA1 GLN 27 HG2 0.10 -0.06 -0.12 -0.04 2.40 2.28 2fpiA1 GLN 27 HG3 0.17 0.03 -0.00 -0.04 2.39 2.55 2fpiA1 GLN 27 HE21 0.04 0.02 -0.01 -0.04 6.97 6.97 2fpiA1 GLN 27 HE22 0.03 -0.00 -0.08 -0.04 7.69 7.59 2fpiA1 GLY 28 H 0.02 0.08 0.02 -0.55 8.43 8.01 2fpiA1 GLY 28 HA2 -0.46 -0.03 0.28 -0.51 4.01 3.29 2fpiA1 GLY 28 HA3 0.01 0.22 0.29 -0.51 4.01 4.03 2fpiA1 THR 29 H 0.04 0.23 -0.81 -0.55 8.28 7.19 2fpiA1 THR 29 HA 0.15 0.14 0.47 -0.75 4.39 4.41 2fpiA1 THR 29 HB 0.07 -0.04 -0.01 -0.04 4.32 4.30 2fpiA1 THR 29 HG23 0.04 -0.02 -0.16 -0.04 1.22 1.05 2fpiA1 PHE 30 H 0.12 0.25 -0.03 -0.55 8.34 8.12 2fpiA1 PHE 30 HA -0.10 0.02 0.36 -0.75 4.62 4.15 2fpiA1 PHE 30 HB2 -0.13 0.06 0.20 -0.04 3.15 3.23 2fpiA1 PHE 30 HB3 -0.36 0.04 0.14 -0.04 3.06 2.84 2fpiA1 PHE 30 HD2 -0.49 0.01 -0.11 -0.04 7.28 6.65 2fpiA1 PHE 30 HE2 -0.06 0.01 -0.04 -0.04 7.38 7.26 2fpiA1 PHE 30 HZ -0.03 0.00 -0.02 -0.04 7.32 7.23 2fpiA1 HIS 31 H -0.09 0.44 -0.27 -0.55 8.41 7.94 2fpiA1 HIS 31 HA -0.04 0.08 0.62 -0.75 4.63 4.54 2fpiA1 HIS 31 HB2 -0.33 0.03 -0.06 -0.04 3.26 2.87 2fpiA1 HIS 31 HB3 0.04 0.04 -0.04 -0.04 3.20 3.19 2fpiA1 HIS 31 HD2 0.18 0.06 -0.02 -0.04 6.97 7.14 2fpiA1 HIS 31 HE1 0.20 -0.04 -0.04 -0.04 7.75 7.83 2fpiA1 SER 32 H 0.02 0.49 -0.24 -0.55 8.46 8.18 2fpiA1 SER 32 HA 0.06 0.03 0.60 -0.75 4.49 4.43 2fpiA1 SER 32 HB2 0.21 0.13 0.22 -0.04 3.95 4.46 2fpiA1 SER 32 HB3 0.23 0.01 0.08 -0.04 3.93 4.21 2fpiA1 GLN 33 H -0.09 0.40 -0.09 -0.55 8.47 8.14 2fpiA1 GLN 33 HA -0.05 0.11 0.45 -0.75 4.36 4.11 2fpiA1 GLN 33 HB2 -0.27 0.07 0.02 -0.04 2.15 1.93 2fpiA1 GLN 33 HB3 -0.13 -0.02 0.06 -0.04 2.02 1.89 2fpiA1 GLN 33 HG2 -0.10 -0.03 0.01 -0.04 2.40 2.23 2fpiA1 GLN 33 HG3 -0.09 0.13 0.05 -0.04 2.39 2.45 2fpiA1 GLN 33 HE21 0.01 -0.06 -0.10 -0.04 6.97 6.78 2fpiA1 GLN 33 HE22 -0.06 -0.01 -0.12 -0.04 7.69 7.46 2fpiA1 GLN 34 H -0.20 0.28 -0.31 -0.55 8.47 7.68 2fpiA1 GLN 34 HA -0.09 0.05 0.59 -0.75 4.36 4.15 2fpiA1 GLN 34 HB2 -0.06 0.08 0.13 -0.04 2.15 2.26 2fpiA1 GLN 34 HB3 -0.03 -0.06 0.05 -0.04 2.02 1.93 2fpiA1 GLN 34 HG2 -0.65 0.02 0.06 -0.04 2.40 1.80 2fpiA1 GLN 34 HG3 -0.73 -0.02 0.01 -0.04 2.39 1.61 2fpiA1 GLN 34 HE21 -0.09 -0.03 -0.01 -0.04 6.97 6.80 2fpiA1 GLN 34 HE22 -0.24 0.02 -0.07 -0.04 7.69 7.36 2fpiA1 ALA 35 H 0.01 0.39 -0.20 -0.55 8.40 8.06 2fpiA1 ALA 35 HA 0.07 0.04 0.53 -0.75 4.34 4.22 2fpiA1 ALA 35 HB3 0.06 0.02 0.17 -0.04 1.41 1.62 2fpiA1 LEU 36 H 0.02 0.49 -0.12 -0.55 8.37 8.21 2fpiA1 LEU 36 HA 0.04 0.11 0.58 -0.75 4.35 4.32 2fpiA1 LEU 36 HB2 0.01 0.02 0.18 -0.04 1.64 1.81 2fpiA1 LEU 36 HB3 0.01 -0.00 0.05 -0.04 1.64 1.66 2fpiA1 LEU 36 HG 0.03 0.03 0.15 -0.04 1.64 1.82 2fpiA1 LEU 36 HD13 0.03 -0.01 0.03 -0.04 0.93 0.94 2fpiA1 LEU 36 HD23 0.02 0.05 0.14 -0.04 0.89 1.07 2fpiA1 GLU 37 H 0.01 0.34 -0.18 -0.55 8.60 8.22 2fpiA1 GLU 37 HA 0.00 0.02 0.36 -0.75 4.29 3.92 2fpiA1 GLU 37 HB2 -0.02 0.23 0.24 -0.04 2.09 2.51 2fpiA1 GLU 37 HB3 0.04 -0.02 0.08 -0.04 1.99 2.04 2fpiA1 GLU 37 HG2 -0.01 -0.07 -0.01 -0.04 2.34 2.22 2fpiA1 GLU 37 HG3 -0.01 0.01 0.03 -0.04 2.34 2.34 2fpiA1 TYR 38 H 0.16 0.39 -0.17 -0.55 8.29 8.11 2fpiA1 TYR 38 HA 0.01 -0.08 0.32 -0.75 4.56 4.06 2fpiA1 TYR 38 HB2 0.01 0.02 0.15 -0.04 3.06 3.19 2fpiA1 TYR 38 HB3 0.00 0.10 0.07 -0.04 2.98 3.11 2fpiA1 TYR 38 HD2 0.01 -0.02 -0.15 -0.04 7.15 6.95 2fpiA1 TYR 38 HE2 0.00 -0.01 -0.32 -0.04 6.85 6.47 2fpiA1 GLY 39 H 0.10 0.18 -0.33 -0.55 8.43 7.84 2fpiA1 GLY 39 HA2 -0.01 0.11 0.24 -0.51 4.01 3.84 2fpiA1 GLY 39 HA3 -0.09 0.16 0.97 -0.51 4.01 4.54 2fpiA1 THR 40 H 0.09 0.37 0.30 -0.55 8.28 8.50 2fpiA1 THR 40 HA 0.07 0.26 0.88 -0.75 4.39 4.84 2fpiA1 THR 40 HB 0.11 0.23 0.18 -0.04 4.32 4.81 2fpiA1 THR 40 HG23 0.05 -0.03 -0.19 -0.04 1.22 1.00 2fpiA1 ASN 41 H 0.04 0.26 0.17 -0.55 8.53 8.45 2fpiA1 ASN 41 HA 0.02 0.17 0.42 -0.75 4.76 4.61 2fpiA1 ASN 41 HB2 0.02 0.16 0.16 -0.04 2.88 3.18 2fpiA1 ASN 41 HB3 0.01 -0.09 0.47 -0.04 2.79 3.14 2fpiA1 ASN 41 HD21 0.01 -0.03 -0.03 -0.04 7.03 6.94 2fpiA1 ASN 41 HD22 0.01 0.07 -0.04 -0.04 7.74 7.73 2fpiA1 LEU 42 H 0.02 0.65 -0.16 -0.55 8.37 8.33 2fpiA1 LEU 42 HA -0.02 0.07 0.55 -0.75 4.35 4.19 2fpiA1 LEU 42 HB2 0.01 -0.08 0.03 -0.04 1.64 1.56 2fpiA1 LEU 42 HB3 0.01 0.08 0.20 -0.04 1.64 1.89 2fpiA1 LEU 42 HG -0.07 0.05 -0.20 -0.04 1.64 1.38 2fpiA1 LEU 42 HD13 -0.10 0.06 -0.05 -0.04 0.93 0.79 2fpiA1 LEU 42 HD23 0.04 0.00 0.06 -0.04 0.89 0.95 2fpiA1 VAL 43 H -0.05 0.44 0.43 -0.55 8.24 8.51 2fpiA1 VAL 43 HA 0.00 0.18 0.72 -0.75 4.13 4.28 2fpiA1 VAL 43 HB -0.01 0.00 0.14 -0.04 2.12 2.21 2fpiA1 VAL 43 HG13 -0.02 0.04 0.11 -0.04 0.97 1.05 2fpiA1 VAL 43 HG23 -0.10 -0.02 -0.13 -0.04 0.95 0.65 2fpiA1 GLY 44 H -0.16 0.07 0.09 -0.55 8.43 7.89 2fpiA1 GLY 44 HA2 -0.12 0.21 0.39 -0.51 4.01 3.97 2fpiA1 GLY 44 HA3 0.02 -0.00 0.42 -0.51 4.01 3.94 2fpiA1 GLY 45 H -0.04 0.14 0.07 -0.55 8.43 8.05 2fpiA1 GLY 45 HA2 -0.18 -0.17 0.28 -0.51 4.01 3.42 2fpiA1 GLY 45 HA3 -0.58 0.27 0.89 -0.51 4.01 4.09 2fpiA1 THR 46 H 0.04 0.13 0.02 -0.55 8.28 7.92 2fpiA1 THR 46 HA 0.18 0.27 0.69 -0.75 4.39 4.78 2fpiA1 THR 46 HB 0.07 0.01 -0.26 -0.04 4.32 4.10 2fpiA1 THR 46 HG23 0.02 0.01 -0.43 -0.04 1.22 0.78 2fpiA1 THR 47 H 0.10 0.36 -0.06 -0.55 8.28 8.13 2fpiA1 THR 47 HA 0.05 0.00 0.43 -0.75 4.39 4.12 2fpiA1 THR 47 HB 0.07 0.05 -0.11 -0.04 4.32 4.30 2fpiA1 THR 47 HG23 -0.01 0.01 -0.06 -0.04 1.22 1.11 2fpiA1 PRO 48 HA 0.02 -0.05 0.60 -0.51 4.44 4.50 2fpiA1 PRO 48 HB2 -0.03 0.01 0.12 -0.04 2.28 2.34 2fpiA1 PRO 48 HB3 -0.01 0.05 0.15 -0.04 2.02 2.16 2fpiA1 PRO 48 HG2 -0.02 0.00 0.12 -0.04 2.03 2.09 2fpiA1 PRO 48 HG3 0.01 0.41 0.25 -0.04 2.03 2.66 2fpiA1 PRO 48 HD2 -0.00 0.09 0.18 -0.04 3.68 3.91 2fpiA1 PRO 48 HD3 0.03 0.02 0.13 -0.04 3.65 3.78 2fpiA1 GLY 49 H 0.00 0.12 0.17 -0.55 8.43 8.17 2fpiA1 GLY 49 HA2 -0.01 0.05 0.42 -0.51 4.01 3.96 2fpiA1 GLY 49 HA3 -0.01 0.24 0.91 -0.51 4.01 4.63 2fpiA1 LYS 50 H -0.01 0.38 -0.25 -0.55 8.42 7.99 2fpiA1 LYS 50 HA -0.01 0.16 0.53 -0.75 4.32 4.24 2fpiA1 LYS 50 HB2 -0.02 0.08 0.01 -0.04 1.87 1.90 2fpiA1 LYS 50 HB3 -0.02 -0.05 0.09 -0.04 1.79 1.76 2fpiA1 LYS 50 HG2 -0.03 0.03 0.00 -0.04 1.46 1.42 2fpiA1 LYS 50 HG3 -0.03 -0.01 -0.06 -0.04 1.46 1.32 2fpiA1 LYS 50 HD2 -0.07 -0.03 -0.04 -0.04 1.69 1.52 2fpiA1 LYS 50 HD3 -0.07 0.00 -0.03 -0.04 1.68 1.54 2fpiA1 LYS 50 HE2 -0.05 0.01 -0.02 -0.04 2.99 2.88 2fpiA1 LYS 50 HE3 -0.03 0.02 -0.02 -0.04 2.99 2.92 2fpiA1 GLY 51 H 0.01 -0.06 -0.57 -0.55 8.43 7.25 2fpiA1 GLY 51 HA2 0.03 0.08 -0.48 -0.51 4.01 3.13 2fpiA1 GLY 51 HA3 0.02 -0.16 0.04 -0.51 4.01 3.41 2fpiA1 GLY 52 H -0.05 0.31 0.55 -0.55 8.43 8.70 2fpiA1 GLY 52 HA2 -0.18 0.08 0.55 -0.51 4.01 3.95 2fpiA1 GLY 52 HA3 -0.08 -0.03 0.35 -0.51 4.01 3.74 2fpiA1 LYS 53 H -0.04 0.18 0.29 -0.55 8.42 8.29 2fpiA1 LYS 53 HA -0.03 0.14 0.61 -0.75 4.32 4.28 2fpiA1 LYS 53 HB2 -0.01 0.02 0.11 -0.04 1.87 1.95 2fpiA1 LYS 53 HB3 -0.00 -0.17 0.23 -0.04 1.79 1.81 2fpiA1 LYS 53 HG2 -0.02 -0.02 0.01 -0.04 1.46 1.39 2fpiA1 LYS 53 HG3 -0.02 -0.02 0.06 -0.04 1.46 1.44 2fpiA1 LYS 53 HD2 -0.01 0.00 0.06 -0.04 1.69 1.70 2fpiA1 LYS 53 HD3 -0.02 0.04 0.03 -0.04 1.68 1.70 2fpiA1 LYS 53 HE2 -0.01 0.00 0.00 -0.04 2.99 2.94 2fpiA1 LYS 53 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.92 2fpiA1 THR 54 H 0.01 0.18 0.15 -0.55 8.28 8.08 2fpiA1 THR 54 HA 0.09 0.28 0.85 -0.75 4.39 4.86 2fpiA1 THR 54 HB 0.05 -0.06 -0.17 -0.04 4.32 4.09 2fpiA1 THR 54 HG23 0.01 0.01 -0.25 -0.04 1.22 0.94 2fpiA1 HIS 55 H 0.25 0.99 0.20 -0.55 8.41 9.31 2fpiA1 HIS 55 HA -0.12 0.04 0.89 -0.75 4.63 4.68 2fpiA1 HIS 55 HB2 -0.31 -0.09 -0.19 -0.04 3.26 2.62 2fpiA1 HIS 55 HB3 -0.83 0.13 -0.05 -0.04 3.20 2.40 2fpiA1 HIS 55 HD2 -0.21 -0.01 0.03 -0.04 6.97 6.74 2fpiA1 HIS 55 HE1 -0.28 0.01 -0.04 -0.04 7.75 7.40 2fpiA1 LEU 56 H -0.34 0.10 0.10 -0.55 8.37 7.69 2fpiA1 LEU 56 HA -0.19 -0.02 0.28 -0.75 4.35 3.67 2fpiA1 LEU 56 HB2 -0.02 0.25 -0.22 -0.04 1.64 1.60 2fpiA1 LEU 56 HB3 -0.06 0.06 0.16 -0.04 1.64 1.76 2fpiA1 LEU 56 HG -0.74 -0.09 -0.06 -0.04 1.64 0.70 2fpiA1 LEU 56 HD13 -0.05 0.02 -0.09 -0.04 0.93 0.77 2fpiA1 LEU 56 HD23 -0.14 -0.01 -0.01 -0.04 0.89 0.70 2fpiA1 GLY 57 H -0.03 -0.01 -0.20 -0.55 8.43 7.65 2fpiA1 GLY 57 HA2 0.01 -0.06 0.22 -0.51 4.01 3.68 2fpiA1 GLY 57 HA3 0.01 0.09 0.50 -0.51 4.01 4.09 2fpiA1 LEU 58 H 0.08 -0.07 -0.31 -0.55 8.37 7.53 2fpiA1 LEU 58 HA 0.10 0.10 0.52 -0.75 4.35 4.32 2fpiA1 LEU 58 HB2 0.25 0.16 -0.24 -0.04 1.64 1.77 2fpiA1 LEU 58 HB3 0.22 0.02 -0.12 -0.04 1.64 1.72 2fpiA1 LEU 58 HG 0.07 0.33 0.09 -0.04 1.64 2.09 2fpiA1 LEU 58 HD13 0.10 -0.02 -0.08 -0.04 0.93 0.88 2fpiA1 LEU 58 HD23 0.06 -0.03 0.00 -0.04 0.89 0.87 2fpiA1 PRO 59 HA 0.04 0.11 0.48 -0.51 4.44 4.56 2fpiA1 PRO 59 HB2 0.13 -0.04 -0.04 -0.04 2.28 2.29 2fpiA1 PRO 59 HB3 0.07 0.00 0.12 -0.04 2.02 2.17 2fpiA1 PRO 59 HG2 0.33 -0.03 0.15 -0.04 2.03 2.44 2fpiA1 PRO 59 HG3 0.23 0.04 0.10 -0.04 2.03 2.36 2fpiA1 PRO 59 HD2 0.13 0.36 0.32 -0.04 3.68 4.45 2fpiA1 PRO 59 HD3 0.11 0.07 0.24 -0.04 3.65 4.02 2fpiA1 VAL 60 H -0.17 0.49 0.22 -0.55 8.24 8.23 2fpiA1 VAL 60 HA 0.41 0.28 0.85 -0.75 4.13 4.91 2fpiA1 VAL 60 HB 0.03 -0.12 -0.11 -0.04 2.12 1.88 2fpiA1 VAL 60 HG13 0.17 -0.01 -0.24 -0.04 0.97 0.85 2fpiA1 VAL 60 HG23 0.28 0.03 -0.37 -0.04 0.95 0.84 2fpiA1 PHE 61 H 0.46 0.44 0.20 -0.55 8.34 8.89 2fpiA1 PHE 61 HA 0.03 0.30 0.70 -0.75 4.62 4.89 2fpiA1 PHE 61 HB2 0.02 0.04 -0.02 -0.04 3.15 3.15 2fpiA1 PHE 61 HB3 0.02 -0.11 0.11 -0.04 3.06 3.03 2fpiA1 PHE 61 HD2 0.02 -0.03 -0.16 -0.04 7.28 7.07 2fpiA1 PHE 61 HE2 0.01 0.11 -0.30 -0.04 7.38 7.17 2fpiA1 PHE 61 HZ 0.01 0.12 -0.15 -0.04 7.32 7.27 2fpiA1 ASN 62 H 0.11 0.30 0.20 -0.55 8.53 8.59 2fpiA1 ASN 62 HA 0.06 0.05 0.52 -0.75 4.76 4.64 2fpiA1 ASN 62 HB2 0.05 0.09 0.15 -0.04 2.88 3.12 2fpiA1 ASN 62 HB3 0.03 0.00 0.05 -0.04 2.79 2.83 2fpiA1 ASN 62 HD21 0.00 0.10 0.00 -0.04 7.03 7.09 2fpiA1 ASN 62 HD22 0.01 0.05 0.07 -0.04 7.74 7.83 2fpiA1 THR 63 H 0.13 0.11 -0.04 -0.55 8.28 7.93 2fpiA1 THR 63 HA 0.04 0.23 0.78 -0.75 4.39 4.68 2fpiA1 THR 63 HB 0.03 -0.01 0.11 -0.04 4.32 4.40 2fpiA1 THR 63 HG23 0.03 0.04 -0.26 -0.04 1.22 1.00 2fpiA1 VAL 64 H 0.01 0.19 0.09 -0.55 8.24 7.98 2fpiA1 VAL 64 HA -0.03 0.09 0.37 -0.75 4.13 3.81 2fpiA1 VAL 64 HB -0.00 0.03 0.08 -0.04 2.12 2.18 2fpiA1 VAL 64 HG13 -0.03 0.04 -0.22 -0.04 0.97 0.72 2fpiA1 VAL 64 HG23 0.00 -0.01 -0.10 -0.04 0.95 0.80 2fpiA1 LYS 65 H -0.00 0.08 0.02 -0.55 8.42 7.96 2fpiA1 LYS 65 HA -0.02 0.18 0.32 -0.75 4.32 4.05 2fpiA1 LYS 65 HB2 0.00 0.06 0.10 -0.04 1.87 1.99 2fpiA1 LYS 65 HB3 0.01 -0.14 0.03 -0.04 1.79 1.65 2fpiA1 LYS 65 HG2 0.01 0.00 -0.06 -0.04 1.46 1.37 2fpiA1 LYS 65 HG3 0.01 0.01 -0.39 -0.04 1.46 1.05 2fpiA1 LYS 65 HD2 0.00 0.03 -0.01 -0.04 1.69 1.67 2fpiA1 LYS 65 HD3 -0.01 0.04 0.12 -0.04 1.68 1.80 2fpiA1 LYS 65 HE2 -0.00 -0.07 -0.00 -0.04 2.99 2.88 2fpiA1 LYS 65 HE3 0.00 -0.03 -0.04 -0.04 2.99 2.89 2fpiA1 GLU 66 H 0.03 -0.09 -0.59 -0.55 8.60 7.40 2fpiA1 GLU 66 HA 0.05 0.10 0.36 -0.75 4.29 4.05 2fpiA1 GLU 66 HB2 0.14 -0.06 0.10 -0.04 2.09 2.23 2fpiA1 GLU 66 HB3 0.26 0.11 0.03 -0.04 1.99 2.34 2fpiA1 GLU 66 HG2 0.09 0.11 0.02 -0.04 2.34 2.52 2fpiA1 GLU 66 HG3 0.07 -0.04 -0.01 -0.04 2.34 2.32 2fpiA1 ALA 67 H -0.02 0.10 -0.02 -0.55 8.40 7.91 2fpiA1 ALA 67 HA -0.98 0.00 0.16 -0.75 4.34 2.77 2fpiA1 ALA 67 HB3 -0.71 -0.00 -0.05 -0.04 1.41 0.60 2fpiA1 LYS 68 H -0.12 0.26 -0.96 -0.55 8.42 7.04 2fpiA1 LYS 68 HA -0.12 0.02 0.25 -0.75 4.32 3.71 2fpiA1 LYS 68 HB2 -0.06 -0.08 -0.07 -0.04 1.87 1.61 2fpiA1 LYS 68 HB3 -0.05 0.01 0.14 -0.04 1.79 1.85 2fpiA1 LYS 68 HG2 -0.04 -0.02 -0.28 -0.04 1.46 1.09 2fpiA1 LYS 68 HG3 -0.05 0.14 -0.13 -0.04 1.46 1.38 2fpiA1 LYS 68 HD2 -0.04 -0.05 -0.10 -0.04 1.69 1.47 2fpiA1 LYS 68 HD3 -0.03 -0.08 -0.02 -0.04 1.68 1.52 2fpiA1 LYS 68 HE2 -0.02 -0.05 -0.02 -0.04 2.99 2.86 2fpiA1 LYS 68 HE3 -0.03 0.04 0.01 -0.04 2.99 2.97 2fpiA1 GLU 69 H -0.04 0.29 0.12 -0.55 8.60 8.43 2fpiA1 GLU 69 HA -0.01 0.07 0.37 -0.75 4.29 3.96 2fpiA1 GLU 69 HB2 0.01 -0.05 0.25 -0.04 2.09 2.25 2fpiA1 GLU 69 HB3 0.01 -0.03 0.07 -0.04 1.99 1.99 2fpiA1 GLU 69 HG2 -0.00 -0.01 0.08 -0.04 2.34 2.36 2fpiA1 GLU 69 HG3 -0.01 0.05 0.17 -0.04 2.34 2.51 2fpiA1 GLN 70 H 0.02 0.13 -0.13 -0.55 8.47 7.95 2fpiA1 GLN 70 HA 0.06 -0.01 0.29 -0.75 4.36 3.95 2fpiA1 GLN 70 HB2 0.09 -0.08 -0.25 -0.04 2.15 1.87 2fpiA1 GLN 70 HB3 0.32 0.05 -0.18 -0.04 2.02 2.17 2fpiA1 GLN 70 HG2 0.13 -0.01 -0.02 -0.04 2.40 2.46 2fpiA1 GLN 70 HG3 0.30 -0.11 -0.12 -0.04 2.39 2.43 2fpiA1 GLN 70 HE21 0.05 0.02 -0.01 -0.04 6.97 6.99 2fpiA1 GLN 70 HE22 0.09 -0.06 -0.02 -0.04 7.69 7.66 2fpiA1 THR 71 H -0.13 0.42 -0.44 -0.55 8.28 7.58 2fpiA1 THR 71 HA 0.00 0.19 1.02 -0.75 4.39 4.84 2fpiA1 THR 71 HB -0.05 -0.05 0.18 -0.04 4.32 4.35 2fpiA1 THR 71 HG23 -0.09 -0.04 -0.11 -0.04 1.22 0.94 2fpiA1 GLY 72 H -0.04 0.72 0.04 -0.55 8.43 8.60 2fpiA1 GLY 72 HA2 -0.02 -0.04 0.42 -0.51 4.01 3.86 2fpiA1 GLY 72 HA3 -0.01 -0.02 0.51 -0.51 4.01 3.98 2fpiA1 ALA 73 H -0.05 0.28 -0.92 -0.55 8.40 7.17 2fpiA1 ALA 73 HA -0.03 -0.04 0.34 -0.75 4.34 3.85 2fpiA1 ALA 73 HB3 -0.08 -0.02 -0.11 -0.04 1.41 1.15 2fpiA1 THR 74 H -0.02 0.59 0.40 -0.55 8.28 8.70 2fpiA1 THR 74 HA -0.02 0.29 1.14 -0.75 4.39 5.04 2fpiA1 THR 74 HB 0.02 -0.02 0.20 -0.04 4.32 4.49 2fpiA1 THR 74 HG23 0.01 0.03 -0.08 -0.04 1.22 1.14 2fpiA1 ALA 75 H -0.03 0.31 0.30 -0.55 8.40 8.44 2fpiA1 ALA 75 HA -0.02 0.28 0.91 -0.75 4.34 4.74 2fpiA1 ALA 75 HB3 0.00 0.00 -0.15 -0.04 1.41 1.22 2fpiA1 SER 76 H -0.02 0.80 0.36 -0.55 8.46 9.05 2fpiA1 SER 76 HA -0.02 0.31 1.06 -0.75 4.49 5.08 2fpiA1 SER 76 HB2 -0.03 0.04 -0.10 -0.04 3.95 3.82 2fpiA1 SER 76 HB3 -0.02 0.01 0.10 -0.04 3.93 3.98 2fpiA1 VAL 77 H 0.03 0.48 0.37 -0.55 8.24 8.57 2fpiA1 VAL 77 HA -0.02 0.30 1.07 -0.75 4.13 4.73 2fpiA1 VAL 77 HB 0.04 0.05 -0.13 -0.04 2.12 2.04 2fpiA1 VAL 77 HG13 0.20 0.01 -0.08 -0.04 0.97 1.05 2fpiA1 VAL 77 HG23 -0.04 0.01 -0.11 -0.04 0.95 0.76 2fpiA1 ILE 78 H -0.09 0.62 0.38 -0.55 8.25 8.60 2fpiA1 ILE 78 HA 0.10 0.30 1.20 -0.75 4.18 5.03 2fpiA1 ILE 78 HB -0.04 -0.05 0.17 -0.04 1.89 1.93 2fpiA1 ILE 78 HG12 0.03 -0.03 -0.13 -0.04 1.49 1.31 2fpiA1 ILE 78 HG13 0.01 -0.02 -0.43 -0.04 1.21 0.73 2fpiA1 ILE 78 HG23 0.04 0.00 -0.03 -0.04 0.93 0.91 2fpiA1 ILE 78 HD13 -0.00 0.03 -0.23 -0.04 0.88 0.64 2fpiA1 TYR 79 H 0.24 0.52 0.30 -0.55 8.29 8.80 2fpiA1 TYR 79 HA 0.06 0.12 0.80 -0.75 4.56 4.78 2fpiA1 TYR 79 HB2 0.11 0.14 0.06 -0.04 3.06 3.33 2fpiA1 TYR 79 HB3 0.11 -0.10 0.14 -0.04 2.98 3.08 2fpiA1 TYR 79 HD2 0.11 0.00 -0.25 -0.04 7.15 6.98 2fpiA1 TYR 79 HE2 -0.07 0.02 -0.19 -0.04 6.85 6.57 2fpiA1 VAL 80 H 0.11 0.03 0.03 -0.55 8.24 7.86 2fpiA1 VAL 80 HA 0.14 0.10 0.49 -0.75 4.13 4.10 2fpiA1 VAL 80 HB 0.09 -0.05 0.08 -0.04 2.12 2.20 2fpiA1 VAL 80 HG13 0.19 0.04 -0.24 -0.04 0.97 0.92 2fpiA1 VAL 80 HG23 0.10 0.01 -0.05 -0.04 0.95 0.97 2fpiA1 PRO 81 HA 0.06 0.14 0.36 -0.51 4.44 4.49 2fpiA1 PRO 81 HB2 0.13 -0.06 0.02 -0.04 2.28 2.33 2fpiA1 PRO 81 HB3 0.07 0.09 0.14 -0.04 2.02 2.28 2fpiA1 PRO 81 HG2 0.17 0.04 0.11 -0.04 2.03 2.31 2fpiA1 PRO 81 HG3 0.11 0.08 0.16 -0.04 2.03 2.34 2fpiA1 PRO 81 HD2 0.23 0.04 0.16 -0.04 3.68 4.07 2fpiA1 PRO 81 HD3 0.14 0.14 0.30 -0.04 3.65 4.19 2fpiA1 PRO 82 HA -0.04 -0.00 0.26 -0.51 4.44 4.14 2fpiA1 PRO 82 HB2 -0.08 0.02 0.10 -0.04 2.28 2.28 2fpiA1 PRO 82 HB3 -0.05 0.12 -0.09 -0.04 2.02 1.96 2fpiA1 PRO 82 HG2 -0.02 0.03 0.13 -0.04 2.03 2.12 2fpiA1 PRO 82 HG3 -0.01 0.39 0.20 -0.04 2.03 2.57 2fpiA1 PRO 82 HD2 -0.01 0.10 0.20 -0.04 3.68 3.93 2fpiA1 PRO 82 HD3 0.02 0.11 0.23 -0.04 3.65 3.97 2fpiA1 PRO 83 HA -0.28 0.09 0.45 -0.51 4.44 4.20 2fpiA1 PRO 83 HB2 -1.69 0.02 -0.04 -0.04 2.28 0.53 2fpiA1 PRO 83 HB3 -0.52 0.05 0.09 -0.04 2.02 1.59 2fpiA1 PRO 83 HG2 -0.31 0.06 0.03 -0.04 2.03 1.77 2fpiA1 PRO 83 HG3 -0.23 0.07 0.05 -0.04 2.03 1.88 2fpiA1 PRO 83 HD2 -0.31 0.07 -0.23 -0.04 3.68 3.17 2fpiA1 PRO 83 HD3 -0.14 0.13 0.06 -0.04 3.65 3.66 2fpiA1 PHE 84 H -0.27 0.34 -0.22 -0.55 8.34 7.63 2fpiA1 PHE 84 HA 0.01 0.18 0.89 -0.75 4.62 4.95 2fpiA1 PHE 84 HB2 0.02 0.05 -0.02 -0.04 3.15 3.16 2fpiA1 PHE 84 HB3 0.01 -0.04 0.04 -0.04 3.06 3.03 2fpiA1 PHE 84 HD2 0.01 0.03 -0.06 -0.04 7.28 7.22 2fpiA1 PHE 84 HE2 0.01 0.03 -0.04 -0.04 7.38 7.33 2fpiA1 PHE 84 HZ 0.01 0.03 -0.03 -0.04 7.32 7.28 2fpiA1 ALA 85 H 0.05 0.58 -0.06 -0.55 8.40 8.42 2fpiA1 ALA 85 HA 0.07 -0.08 0.28 -0.75 4.34 3.86 2fpiA1 ALA 85 HB3 0.01 0.14 -0.06 -0.04 1.41 1.47 2fpiA1 ALA 86 H 0.02 0.21 -0.44 -0.55 8.40 7.64 2fpiA1 ALA 86 HA 0.01 0.08 0.48 -0.75 4.34 4.16 2fpiA1 ALA 86 HB3 0.00 0.03 -0.05 -0.04 1.41 1.35 2fpiA1 ALA 87 H 0.07 0.54 -0.08 -0.55 8.40 8.39 2fpiA1 ALA 87 HA 0.04 0.07 0.45 -0.75 4.34 4.14 2fpiA1 ALA 87 HB3 0.10 0.02 0.12 -0.04 1.41 1.60 2fpiA1 ALA 88 H 0.07 0.34 -0.21 -0.55 8.40 8.06 2fpiA1 ALA 88 HA 0.03 -0.01 0.26 -0.75 4.34 3.87 2fpiA1 ALA 88 HB3 0.05 0.04 0.00 -0.04 1.41 1.47 2fpiA1 ILE 89 H 0.02 0.36 -0.27 -0.55 8.25 7.81 2fpiA1 ILE 89 HA 0.00 0.02 0.28 -0.75 4.18 3.73 2fpiA1 ILE 89 HB 0.00 0.09 0.14 -0.04 1.89 2.08 2fpiA1 ILE 89 HG12 -0.01 -0.01 -0.07 -0.04 1.49 1.36 2fpiA1 ILE 89 HG13 0.00 0.11 0.07 -0.04 1.21 1.35 2fpiA1 ILE 89 HG23 -0.00 0.01 -0.17 -0.04 0.93 0.72 2fpiA1 ILE 89 HD13 -0.01 -0.02 -0.08 -0.04 0.88 0.73 2fpiA1 ASN 90 H 0.01 0.49 -0.09 -0.55 8.53 8.39 2fpiA1 ASN 90 HA 0.00 -0.02 0.34 -0.75 4.76 4.33 2fpiA1 ASN 90 HB2 0.01 0.12 0.15 -0.04 2.88 3.13 2fpiA1 ASN 90 HB3 0.01 -0.04 0.00 -0.04 2.79 2.72 2fpiA1 ASN 90 HD21 0.00 -0.03 -0.05 -0.04 7.03 6.91 2fpiA1 ASN 90 HD22 0.01 -0.02 -0.01 -0.04 7.74 7.68 2fpiA1 GLU 91 H 0.01 0.51 -0.34 -0.55 8.60 8.23 2fpiA1 GLU 91 HA 0.01 0.03 0.50 -0.75 4.29 4.07 2fpiA1 GLU 91 HB2 0.02 0.02 0.01 -0.04 2.09 2.09 2fpiA1 GLU 91 HB3 0.02 0.07 0.07 -0.04 1.99 2.11 2fpiA1 GLU 91 HG2 0.01 -0.07 0.04 -0.04 2.34 2.28 2fpiA1 GLU 91 HG3 0.01 0.03 0.09 -0.04 2.34 2.43 2fpiA1 ALA 92 H 0.00 0.74 -0.18 -0.55 8.40 8.41 2fpiA1 ALA 92 HA -0.01 0.00 0.49 -0.75 4.34 4.06 2fpiA1 ALA 92 HB3 -0.01 0.02 0.01 -0.04 1.41 1.39 2fpiA1 ILE 93 H -0.00 0.40 -0.01 -0.55 8.25 8.09 2fpiA1 ILE 93 HA -0.01 0.11 0.25 -0.75 4.18 3.78 2fpiA1 ILE 93 HB -0.00 0.02 -0.02 -0.04 1.89 1.84 2fpiA1 ILE 93 HG12 0.00 0.03 -0.12 -0.04 1.49 1.36 2fpiA1 ILE 93 HG13 -0.00 -0.00 -0.13 -0.04 1.21 1.04 2fpiA1 ILE 93 HG23 0.00 0.00 -0.08 -0.04 0.93 0.81 2fpiA1 ILE 93 HD13 -0.00 -0.00 -0.39 -0.04 0.88 0.44 2fpiA1 ASP 94 H -0.00 0.29 -0.56 -0.55 8.40 7.58 2fpiA1 ASP 94 HA -0.00 0.06 0.41 -0.75 4.63 4.35 2fpiA1 ASP 94 HB2 0.00 0.05 0.12 -0.04 2.71 2.84 2fpiA1 ASP 94 HB3 0.00 -0.04 -0.06 -0.04 2.70 2.56 2fpiA1 ALA 95 H -0.01 0.27 -0.18 -0.55 8.40 7.93 2fpiA1 ALA 95 HA -0.01 0.05 0.39 -0.75 4.34 4.02 2fpiA1 ALA 95 HB3 -0.02 -0.02 0.05 -0.04 1.41 1.38 2fpiA1 GLU 96 H -0.01 0.23 -1.57 -0.55 8.60 6.71 2fpiA1 GLU 96 HA -0.02 0.05 0.14 -0.75 4.29 3.70 2fpiA1 GLU 96 HB2 -0.01 0.05 -0.14 -0.04 2.09 1.95 2fpiA1 GLU 96 HB3 -0.01 -0.05 0.06 -0.04 1.99 1.95 2fpiA1 GLU 96 HG2 -0.01 0.10 0.05 -0.04 2.34 2.45 2fpiA1 GLU 96 HG3 -0.01 -0.00 -0.09 -0.04 2.34 2.20 2fpiA1 VAL 97 H -0.04 0.25 -0.32 -0.55 8.24 7.59 2fpiA1 VAL 97 HA -0.05 0.18 0.40 -0.75 4.13 3.90 2fpiA1 VAL 97 HB -0.05 -0.12 -0.21 -0.04 2.12 1.70 2fpiA1 VAL 97 HG13 -0.05 -0.04 -0.27 -0.04 0.97 0.57 2fpiA1 VAL 97 HG23 -0.04 0.01 -0.16 -0.04 0.95 0.72 2fpiA1 PRO 98 HA -0.51 0.39 0.62 -0.51 4.44 4.44 2fpiA1 PRO 98 HB2 -0.04 0.14 0.24 -0.04 2.28 2.58 2fpiA1 PRO 98 HB3 -0.12 -0.03 0.14 -0.04 2.02 1.98 2fpiA1 PRO 98 HG2 0.01 -0.03 0.20 -0.04 2.03 2.17 2fpiA1 PRO 98 HG3 -0.04 0.06 0.13 -0.04 2.03 2.14 2fpiA1 PRO 98 HD2 -0.05 0.13 0.23 -0.04 3.68 3.95 2fpiA1 PRO 98 HD3 -0.05 0.15 0.28 -0.04 3.65 4.00 2fpiA1 LEU 99 H -0.08 0.32 0.11 -0.55 8.37 8.17 2fpiA1 LEU 99 HA -0.07 0.32 1.04 -0.75 4.35 4.89 2fpiA1 LEU 99 HB2 0.03 0.15 -0.13 -0.04 1.64 1.65 2fpiA1 LEU 99 HB3 -0.00 -0.10 0.13 -0.04 1.64 1.62 2fpiA1 LEU 99 HG -0.00 -0.15 -0.35 -0.04 1.64 1.10 2fpiA1 LEU 99 HD13 0.01 0.04 -0.19 -0.04 0.93 0.75 2fpiA1 LEU 99 HD23 0.03 0.05 -0.10 -0.04 0.89 0.82 2fpiA1 VAL 100 H -0.02 0.91 0.34 -0.55 8.24 8.92 2fpiA1 VAL 100 HA -0.02 0.23 1.03 -0.75 4.13 4.62 2fpiA1 VAL 100 HB -0.00 -0.05 -0.00 -0.04 2.12 2.02 2fpiA1 VAL 100 HG13 -0.01 -0.04 -0.12 -0.04 0.97 0.75 2fpiA1 VAL 100 HG23 -0.03 0.02 -0.38 -0.04 0.95 0.52 2fpiA1 VAL 101 H -0.02 0.69 0.30 -0.55 8.24 8.66 2fpiA1 VAL 101 HA -0.03 0.27 0.92 -0.75 4.13 4.52 2fpiA1 VAL 101 HB -0.03 -0.08 0.15 -0.04 2.12 2.12 2fpiA1 VAL 101 HG13 -0.06 0.01 -0.18 -0.04 0.97 0.70 2fpiA1 VAL 101 HG23 -0.02 0.03 -0.17 -0.04 0.95 0.75 2fpiA1 CYS 102 H -0.05 0.65 0.20 -0.55 8.50 8.75 2fpiA1 CYS 102 HA -0.09 -0.00 0.96 -0.75 4.58 4.69 2fpiA1 CYS 102 HB2 -0.03 0.03 -0.03 -0.04 2.97 2.90 2fpiA1 CYS 102 HB3 -0.04 -0.03 0.14 -0.04 2.97 3.00 2fpiA1 ILE 103 H -0.26 0.43 0.31 -0.55 8.25 8.18 2fpiA1 ILE 103 HA -0.15 0.34 0.58 -0.75 4.18 4.19 2fpiA1 ILE 103 HB -0.59 0.07 0.19 -0.04 1.89 1.52 2fpiA1 ILE 103 HG12 -0.42 -0.00 -0.03 -0.04 1.49 1.00 2fpiA1 ILE 103 HG13 -1.12 -0.04 -0.08 -0.04 1.21 -0.07 2fpiA1 ILE 103 HG23 -0.16 -0.02 -0.11 -0.04 0.93 0.60 2fpiA1 ILE 103 HD13 -0.17 0.04 -0.11 -0.04 0.88 0.60 2fpiA1 THR 104 H -0.12 0.12 -0.01 -0.55 8.28 7.71 2fpiA1 THR 104 HA -0.03 -0.01 0.22 -0.75 4.39 3.81 2fpiA1 THR 104 HB -0.02 -0.09 -0.04 -0.04 4.32 4.13 2fpiA1 THR 104 HG23 0.00 -0.00 -0.26 -0.04 1.22 0.92 2fpiA1 GLU 105 H -0.01 0.14 0.16 -0.55 8.60 8.34 2fpiA1 GLU 105 HA -0.02 0.12 0.87 -0.75 4.29 4.51 2fpiA1 GLU 105 HB2 -0.01 0.05 0.08 -0.04 2.09 2.17 2fpiA1 GLU 105 HB3 -0.00 -0.01 0.11 -0.04 1.99 2.05 2fpiA1 GLU 105 HG2 -0.01 0.02 -0.12 -0.04 2.34 2.19 2fpiA1 GLU 105 HG3 -0.01 -0.02 0.09 -0.04 2.34 2.36 2fpiA1 GLY 106 H -0.01 0.20 0.13 -0.55 8.43 8.20 2fpiA1 GLY 106 HA2 -0.01 0.05 0.31 -0.51 4.01 3.84 2fpiA1 GLY 106 HA3 -0.02 0.17 0.74 -0.51 4.01 4.39 2fpiA1 ILE 107 H -0.02 0.07 -0.21 -0.55 8.25 7.54 2fpiA1 ILE 107 HA -0.03 0.18 0.41 -0.75 4.18 3.98 2fpiA1 ILE 107 HB -0.01 -0.00 0.03 -0.04 1.89 1.87 2fpiA1 ILE 107 HG12 -0.02 0.15 -0.02 -0.04 1.49 1.56 2fpiA1 ILE 107 HG13 -0.02 -0.01 -0.17 -0.04 1.21 0.97 2fpiA1 ILE 107 HG23 -0.01 0.04 -0.14 -0.04 0.93 0.78 2fpiA1 ILE 107 HD13 -0.01 -0.02 -0.17 -0.04 0.88 0.64 2fpiA1 PRO 108 HA -0.01 0.08 0.48 -0.51 4.44 4.48 2fpiA1 PRO 108 HB2 -0.03 -0.23 0.10 -0.04 2.28 2.09 2fpiA1 PRO 108 HB3 -0.03 0.06 0.14 -0.04 2.02 2.15 2fpiA1 PRO 108 HG2 -0.05 0.03 0.12 -0.04 2.03 2.09 2fpiA1 PRO 108 HG3 -0.05 0.09 0.10 -0.04 2.03 2.13 2fpiA1 PRO 108 HD2 -0.05 0.14 0.20 -0.04 3.68 3.93 2fpiA1 PRO 108 HD3 -0.04 0.34 0.16 -0.04 3.65 4.06 2fpiA1 GLN 109 H 0.02 0.19 0.20 -0.55 8.47 8.33 2fpiA1 GLN 109 HA 0.08 0.14 0.42 -0.75 4.36 4.25 2fpiA1 GLN 109 HB2 0.05 -0.02 0.06 -0.04 2.15 2.21 2fpiA1 GLN 109 HB3 0.20 0.03 0.04 -0.04 2.02 2.24 2fpiA1 GLN 109 HG2 0.12 0.04 0.06 -0.04 2.40 2.58 2fpiA1 GLN 109 HG3 0.06 -0.01 0.10 -0.04 2.39 2.51 2fpiA1 GLN 109 HE21 0.05 0.05 -0.02 -0.04 6.97 7.01 2fpiA1 GLN 109 HE22 0.04 0.01 0.00 -0.04 7.69 7.70 2fpiA1 GLN 110 H -0.03 0.07 -0.18 -0.55 8.47 7.78 2fpiA1 GLN 110 HA -0.12 0.12 0.37 -0.75 4.36 3.99 2fpiA1 GLN 110 HB2 -0.05 0.02 0.07 -0.04 2.15 2.15 2fpiA1 GLN 110 HB3 -0.04 -0.02 0.01 -0.04 2.02 1.93 2fpiA1 GLN 110 HG2 -0.07 0.01 -0.12 -0.04 2.40 2.18 2fpiA1 GLN 110 HG3 -0.08 0.03 0.02 -0.04 2.39 2.32 2fpiA1 GLN 110 HE21 -0.03 0.03 -0.01 -0.04 6.97 6.91 2fpiA1 GLN 110 HE22 -0.04 -0.02 0.00 -0.04 7.69 7.59 2fpiA1 ASP 111 H -0.04 0.06 -0.33 -0.55 8.40 7.55 2fpiA1 ASP 111 HA -0.03 0.06 0.35 -0.75 4.63 4.25 2fpiA1 ASP 111 HB2 -0.02 0.25 0.11 -0.04 2.71 3.01 2fpiA1 ASP 111 HB3 -0.02 -0.02 -0.03 -0.04 2.70 2.59 2fpiA1 MET 112 H -0.02 0.45 -0.16 -0.55 8.47 8.19 2fpiA1 MET 112 HA -0.01 -0.03 0.30 -0.75 4.52 4.02 2fpiA1 MET 112 HB2 0.06 0.07 0.08 -0.04 2.15 2.32 2fpiA1 MET 112 HB3 0.07 0.06 -0.03 -0.04 2.03 2.09 2fpiA1 MET 112 HG2 0.01 -0.01 -0.03 -0.04 2.63 2.56 2fpiA1 MET 112 HG3 0.04 0.12 0.04 -0.04 2.56 2.72 2fpiA1 MET 112 HE3 0.00 0.03 -0.02 -0.04 2.10 2.07 2fpiA1 VAL 113 H -0.13 0.38 -0.41 -0.55 8.24 7.53 2fpiA1 VAL 113 HA -0.18 0.08 0.54 -0.75 4.13 3.81 2fpiA1 VAL 113 HB -0.21 0.09 0.07 -0.04 2.12 2.04 2fpiA1 VAL 113 HG13 -0.21 -0.01 -0.03 -0.04 0.97 0.68 2fpiA1 VAL 113 HG23 -0.70 0.07 -0.00 -0.04 0.95 0.28 2fpiA1 ARG 114 H -0.07 0.44 -0.12 -0.55 8.46 8.16 2fpiA1 ARG 114 HA -0.04 0.06 0.52 -0.75 4.34 4.13 2fpiA1 ARG 114 HB2 -0.04 0.19 0.25 -0.04 1.90 2.27 2fpiA1 ARG 114 HB3 -0.03 -0.06 0.04 -0.04 1.80 1.72 2fpiA1 ARG 114 HG2 -0.08 -0.02 0.02 -0.04 1.67 1.55 2fpiA1 ARG 114 HG3 -0.08 0.08 0.03 -0.04 1.67 1.66 2fpiA1 ARG 114 HD2 -0.04 -0.05 -0.08 -0.04 3.22 3.01 2fpiA1 ARG 114 HD3 -0.04 -0.02 -0.02 -0.04 3.22 3.11 2fpiA1 VAL 115 H -0.03 0.47 -0.04 -0.55 8.24 8.09 2fpiA1 VAL 115 HA -0.01 0.02 0.40 -0.75 4.13 3.78 2fpiA1 VAL 115 HB -0.02 0.05 0.10 -0.04 2.12 2.21 2fpiA1 VAL 115 HG13 -0.03 0.00 -0.24 -0.04 0.97 0.66 2fpiA1 VAL 115 HG23 -0.01 -0.00 -0.04 -0.04 0.95 0.86 2fpiA1 LYS 116 H -0.04 0.62 -0.16 -0.55 8.42 8.29 2fpiA1 LYS 116 HA -0.13 0.02 0.26 -0.75 4.32 3.71 2fpiA1 LYS 116 HB2 -0.05 0.03 0.03 -0.04 1.87 1.85 2fpiA1 LYS 116 HB3 -0.09 -0.00 -0.03 -0.04 1.79 1.63 2fpiA1 LYS 116 HG2 -0.10 -0.01 -0.16 -0.04 1.46 1.15 2fpiA1 LYS 116 HG3 -0.01 0.07 -0.10 -0.04 1.46 1.38 2fpiA1 LYS 116 HD2 0.05 -0.05 -0.13 -0.04 1.69 1.52 2fpiA1 LYS 116 HD3 0.05 -0.06 -0.06 -0.04 1.68 1.58 2fpiA1 LYS 116 HE2 -0.10 -0.03 -0.04 -0.04 2.99 2.78 2fpiA1 LYS 116 HE3 -0.10 0.11 -0.05 -0.04 2.99 2.91 2fpiA1 HIS 117 H 0.04 0.22 -0.84 -0.55 8.41 7.29 2fpiA1 HIS 117 HA -0.07 0.01 0.35 -0.75 4.63 4.16 2fpiA1 HIS 117 HB2 -0.06 0.09 0.17 -0.04 3.26 3.42 2fpiA1 HIS 117 HB3 -0.05 0.07 0.13 -0.04 3.20 3.31 2fpiA1 HIS 117 HD2 -0.03 -0.02 -0.12 -0.04 6.97 6.75 2fpiA1 HIS 117 HE1 -0.03 -0.03 -0.01 -0.04 7.75 7.64 2fpiA1 ARG 118 H 0.03 0.33 -0.12 -0.55 8.46 8.15 2fpiA1 ARG 118 HA -0.09 0.04 0.46 -0.75 4.34 4.00 2fpiA1 ARG 118 HB2 0.02 -0.01 0.13 -0.04 1.90 2.01 2fpiA1 ARG 118 HB3 -0.02 0.06 0.23 -0.04 1.80 2.04 2fpiA1 ARG 118 HG2 -0.02 0.01 -0.19 -0.04 1.67 1.43 2fpiA1 ARG 118 HG3 -0.01 -0.01 -0.00 -0.04 1.67 1.60 2fpiA1 ARG 118 HD2 0.01 -0.01 0.00 -0.04 3.22 3.18 2fpiA1 ARG 118 HD3 -0.00 -0.05 -0.00 -0.04 3.22 3.13 2fpiA1 LEU 119 H -0.08 0.58 0.07 -0.55 8.37 8.40 2fpiA1 LEU 119 HA -0.08 -0.03 0.28 -0.75 4.35 3.78 2fpiA1 LEU 119 HB2 -0.11 -0.05 -0.01 -0.04 1.64 1.43 2fpiA1 LEU 119 HB3 -0.25 0.01 -0.03 -0.04 1.64 1.33 2fpiA1 LEU 119 HG -0.76 0.11 -0.08 -0.04 1.64 0.86 2fpiA1 LEU 119 HD13 0.09 -0.02 -0.13 -0.04 0.93 0.83 2fpiA1 LEU 119 HD23 -0.10 -0.03 -0.10 -0.04 0.89 0.61 2fpiA1 LEU 120 H -0.21 0.38 -0.74 -0.55 8.37 7.25 2fpiA1 LEU 120 HA -0.26 0.07 0.64 -0.75 4.35 4.04 2fpiA1 LEU 120 HB2 -0.17 0.16 0.08 -0.04 1.64 1.67 2fpiA1 LEU 120 HB3 -0.11 -0.13 0.19 -0.04 1.64 1.55 2fpiA1 LEU 120 HG -0.30 -0.00 -0.01 -0.04 1.64 1.28 2fpiA1 LEU 120 HD13 -0.09 -0.02 -0.03 -0.04 0.93 0.75 2fpiA1 LEU 120 HD23 -0.22 -0.02 0.01 -0.04 0.89 0.61 2fpiA1 ARG 121 H -0.09 0.72 -0.11 -0.55 8.46 8.43 2fpiA1 ARG 121 HA -0.04 0.08 0.90 -0.75 4.34 4.52 2fpiA1 ARG 121 HB2 -0.08 0.06 0.21 -0.04 1.90 2.05 2fpiA1 ARG 121 HB3 -0.05 -0.11 0.03 -0.04 1.80 1.62 2fpiA1 ARG 121 HG2 -0.22 0.18 -0.04 -0.04 1.67 1.55 2fpiA1 ARG 121 HG3 -0.19 -0.11 0.04 -0.04 1.67 1.36 2fpiA1 ARG 121 HD2 -0.08 -0.09 0.02 -0.04 3.22 3.04 2fpiA1 ARG 121 HD3 -0.07 0.06 0.06 -0.04 3.22 3.23 2fpiA1 GLN 122 H -0.01 0.11 0.02 -0.55 8.47 8.05 2fpiA1 GLN 122 HA 0.02 0.07 0.57 -0.75 4.36 4.26 2fpiA1 GLN 122 HB2 0.02 -0.12 0.11 -0.04 2.15 2.12 2fpiA1 GLN 122 HB3 0.01 -0.02 0.06 -0.04 2.02 2.03 2fpiA1 GLN 122 HG2 0.01 -0.05 -0.07 -0.04 2.40 2.25 2fpiA1 GLN 122 HG3 0.03 0.11 -0.01 -0.04 2.39 2.49 2fpiA1 GLN 122 HE21 0.09 0.05 0.02 -0.04 6.97 7.09 2fpiA1 GLN 122 HE22 0.18 0.19 -0.08 -0.04 7.69 7.94 2fpiA1 GLY 123 H 0.04 -0.01 0.17 -0.55 8.43 8.08 2fpiA1 GLY 123 HA2 0.08 0.33 0.82 -0.51 4.01 4.72 2fpiA1 GLY 123 HA3 0.05 0.13 0.26 -0.51 4.01 3.94 2fpiA1 LYS 124 H 0.03 -0.11 0.08 -0.55 8.42 7.86 2fpiA1 LYS 124 HA 0.04 0.13 0.51 -0.75 4.32 4.24 2fpiA1 LYS 124 HB2 -0.01 -0.02 -0.03 -0.04 1.87 1.77 2fpiA1 LYS 124 HB3 -0.01 0.11 0.03 -0.04 1.79 1.88 2fpiA1 LYS 124 HG2 0.02 -0.21 0.13 -0.04 1.46 1.35 2fpiA1 LYS 124 HG3 0.01 0.01 0.05 -0.04 1.46 1.48 2fpiA1 LYS 124 HD2 0.03 0.09 -0.01 -0.04 1.69 1.76 2fpiA1 LYS 124 HD3 0.02 -0.04 -0.03 -0.04 1.68 1.59 2fpiA1 LYS 124 HE2 0.01 -0.01 0.00 -0.04 2.99 2.95 2fpiA1 LYS 124 HE3 0.01 -0.05 0.01 -0.04 2.99 2.92 2fpiA1 THR 125 H 0.01 -0.09 -0.22 -0.55 8.28 7.43 2fpiA1 THR 125 HA -0.18 0.49 0.96 -0.75 4.39 4.91 2fpiA1 THR 125 HB 0.02 -0.13 -0.08 -0.04 4.32 4.10 2fpiA1 THR 125 HG23 -0.01 -0.04 -0.32 -0.04 1.22 0.82 2fpiA1 ARG 126 H -0.09 0.37 0.08 -0.55 8.46 8.26 2fpiA1 ARG 126 HA 0.00 0.12 0.74 -0.75 4.34 4.45 2fpiA1 ARG 126 HB2 -0.16 0.06 -0.08 -0.04 1.90 1.68 2fpiA1 ARG 126 HB3 -0.08 0.22 0.11 -0.04 1.80 2.02 2fpiA1 ARG 126 HG2 -0.03 0.02 -0.15 -0.04 1.67 1.47 2fpiA1 ARG 126 HG3 -0.02 -0.14 -0.46 -0.04 1.67 1.00 2fpiA1 ARG 126 HD2 -0.08 -0.10 -0.20 -0.04 3.22 2.80 2fpiA1 ARG 126 HD3 -0.00 -0.02 -0.16 -0.04 3.22 2.99 2fpiA1 LEU 127 H 0.29 0.27 0.07 -0.55 8.37 8.45 2fpiA1 LEU 127 HA 0.03 0.40 1.08 -0.75 4.35 5.11 2fpiA1 LEU 127 HB2 0.04 -0.04 -0.13 -0.04 1.64 1.47 2fpiA1 LEU 127 HB3 0.10 0.03 0.04 -0.04 1.64 1.77 2fpiA1 LEU 127 HG 0.01 0.02 -0.70 -0.04 1.64 0.93 2fpiA1 LEU 127 HD13 -0.01 -0.02 -0.23 -0.04 0.93 0.63 2fpiA1 LEU 127 HD23 -0.00 -0.01 -0.15 -0.04 0.89 0.68 2fpiA1 ILE 128 H -0.00 0.70 0.38 -0.55 8.25 8.77 2fpiA1 ILE 128 HA -0.02 0.11 0.77 -0.75 4.18 4.29 2fpiA1 ILE 128 HB -0.03 -0.10 0.16 -0.04 1.89 1.88 2fpiA1 ILE 128 HG12 -0.03 0.03 -0.17 -0.04 1.49 1.28 2fpiA1 ILE 128 HG13 -0.01 0.05 -0.19 -0.04 1.21 1.01 2fpiA1 ILE 128 HG23 -0.04 -0.00 -0.14 -0.04 0.93 0.71 2fpiA1 ILE 128 HD13 -0.02 0.00 -0.12 -0.04 0.88 0.71 2fpiA1 GLY 129 H -0.04 0.23 0.19 -0.55 8.43 8.27 2fpiA1 GLY 129 HA2 -0.05 0.23 0.21 -0.51 4.01 3.90 2fpiA1 GLY 129 HA3 -0.04 0.14 1.01 -0.51 4.01 4.60 2fpiA1 PRO 130 HA -0.04 0.32 0.40 -0.51 4.44 4.60 2fpiA1 PRO 130 HB2 -0.03 0.17 0.13 -0.04 2.28 2.51 2fpiA1 PRO 130 HB3 -0.02 -0.06 0.04 -0.04 2.02 1.93 2fpiA1 PRO 130 HG2 -0.01 -0.00 0.00 -0.04 2.03 1.98 2fpiA1 PRO 130 HG3 -0.00 -0.05 0.04 -0.04 2.03 1.98 2fpiA1 PRO 130 HD2 -0.00 0.21 0.15 -0.04 3.68 3.99 2fpiA1 PRO 130 HD3 -0.00 0.08 0.45 -0.04 3.65 4.14 2fpiA1 ASN 131 H -0.04 0.43 -0.07 -0.55 8.53 8.30 2fpiA1 ASN 131 HA -0.04 0.13 0.17 -0.75 4.76 4.27 2fpiA1 ASN 131 HB2 -0.03 -0.07 0.04 -0.04 2.88 2.78 2fpiA1 ASN 131 HB3 -0.03 0.07 0.03 -0.04 2.79 2.81 2fpiA1 ASN 131 HD21 -0.02 0.06 -0.05 -0.04 7.03 6.98 2fpiA1 ASN 131 HD22 -0.03 0.03 -0.14 -0.04 7.74 7.57 2fpiA1 CYS 132 H -0.06 0.37 0.07 -0.55 8.50 8.33 2fpiA1 CYS 132 HA -0.04 0.08 0.79 -0.75 4.58 4.66 2fpiA1 CYS 132 HB2 -0.04 0.24 -0.17 -0.04 2.97 2.96 2fpiA1 CYS 132 HB3 -0.05 0.10 -0.59 -0.04 2.97 2.39 2fpiA1 PRO 133 HA -0.01 0.02 0.40 -0.51 4.44 4.33 2fpiA1 PRO 133 HB2 0.14 0.02 -0.12 -0.04 2.28 2.28 2fpiA1 PRO 133 HB3 0.06 -0.05 -0.01 -0.04 2.02 1.98 2fpiA1 PRO 133 HG2 0.05 0.16 -0.06 -0.04 2.03 2.14 2fpiA1 PRO 133 HG3 0.03 0.04 -0.05 -0.04 2.03 2.01 2fpiA1 PRO 133 HD2 -0.01 0.30 0.11 -0.04 3.68 4.03 2fpiA1 PRO 133 HD3 -0.02 0.08 0.05 -0.04 3.65 3.72 2fpiA1 GLY 134 H -0.02 0.18 -0.22 -0.55 8.43 7.83 2fpiA1 GLY 134 HA2 -0.03 0.03 0.20 -0.51 4.01 3.70 2fpiA1 GLY 134 HA3 -0.02 0.32 1.10 -0.51 4.01 4.89 2fpiA1 VAL 135 H -0.02 0.58 0.29 -0.55 8.24 8.55 2fpiA1 VAL 135 HA 0.01 0.25 0.96 -0.75 4.13 4.60 2fpiA1 VAL 135 HB -0.01 -0.04 -0.07 -0.04 2.12 1.96 2fpiA1 VAL 135 HG13 -0.00 -0.01 0.01 -0.04 0.97 0.93 2fpiA1 VAL 135 HG23 0.00 0.08 -0.01 -0.04 0.95 0.98 2fpiA1 ILE 136 H 0.00 0.64 0.29 -0.55 8.25 8.63 2fpiA1 ILE 136 HA -0.05 0.24 0.64 -0.75 4.18 4.26 2fpiA1 ILE 136 HB -0.22 -0.01 -0.20 -0.04 1.89 1.41 2fpiA1 ILE 136 HG12 -0.14 -0.01 -0.52 -0.04 1.49 0.78 2fpiA1 ILE 136 HG13 -0.18 0.09 -0.23 -0.04 1.21 0.86 2fpiA1 ILE 136 HG23 -0.23 -0.02 -0.10 -0.04 0.93 0.54 2fpiA1 ILE 136 HD13 -0.81 -0.02 -0.20 -0.04 0.88 -0.19 2fpiA1 ASN 137 H 0.04 0.95 0.14 -0.55 8.53 9.11 2fpiA1 ASN 137 HA 0.08 0.24 0.80 -0.75 4.76 5.13 2fpiA1 ASN 137 HB2 0.13 0.16 0.08 -0.04 2.88 3.22 2fpiA1 ASN 137 HB3 0.11 -0.35 0.23 -0.04 2.79 2.75 2fpiA1 ASN 137 HD21 0.26 -0.07 0.09 -0.04 7.03 7.27 2fpiA1 ASN 137 HD22 0.30 0.64 0.24 -0.04 7.74 8.89 2fpiA1 PRO 138 HA 0.19 -0.05 0.21 -0.51 4.44 4.28 2fpiA1 PRO 138 HB2 0.11 0.05 -0.15 -0.04 2.28 2.25 2fpiA1 PRO 138 HB3 0.18 -0.02 -0.31 -0.04 2.02 1.83 2fpiA1 PRO 138 HG2 0.13 0.07 -0.22 -0.04 2.03 1.97 2fpiA1 PRO 138 HG3 0.16 -0.03 -0.18 -0.04 2.03 1.93 2fpiA1 PRO 138 HD2 0.09 0.33 -0.16 -0.04 3.68 3.90 2fpiA1 PRO 138 HD3 0.07 0.25 -0.24 -0.04 3.65 3.69 2fpiA1 GLY 139 H 0.24 0.12 -0.00 -0.55 8.43 8.24 2fpiA1 GLY 139 HA2 -0.09 0.05 0.36 -0.51 4.01 3.81 2fpiA1 GLY 139 HA3 0.02 0.10 0.51 -0.51 4.01 4.14 2fpiA1 GLU 140 H 0.09 0.40 -0.68 -0.55 8.60 7.87 2fpiA1 GLU 140 HA 0.03 0.16 0.82 -0.75 4.29 4.55 2fpiA1 GLU 140 HB2 0.10 0.13 0.15 -0.04 2.09 2.42 2fpiA1 GLU 140 HB3 0.06 -0.52 0.15 -0.04 1.99 1.64 2fpiA1 GLU 140 HG2 0.04 0.02 -0.02 -0.04 2.34 2.34 2fpiA1 GLU 140 HG3 0.07 0.18 0.02 -0.04 2.34 2.57 2fpiA1 CYS 141 H 0.12 0.58 0.08 -0.55 8.50 8.73 2fpiA1 CYS 141 HA 0.13 0.18 0.51 -0.75 4.58 4.65 2fpiA1 CYS 141 HB2 0.07 0.16 -0.62 -0.04 2.97 2.54 2fpiA1 CYS 141 HB3 0.08 -0.07 -0.30 -0.04 2.97 2.64 2fpiA1 LYS 142 H 0.11 0.25 -0.01 -0.55 8.42 8.21 2fpiA1 LYS 142 HA -0.07 0.21 0.87 -0.75 4.32 4.58 2fpiA1 LYS 142 HB2 -0.46 -0.01 -0.11 -0.04 1.87 1.25 2fpiA1 LYS 142 HB3 -0.24 0.01 -0.06 -0.04 1.79 1.46 2fpiA1 LYS 142 HG2 -0.09 -0.02 -0.10 -0.04 1.46 1.21 2fpiA1 LYS 142 HG3 -0.16 -0.02 -0.36 -0.04 1.46 0.88 2fpiA1 LYS 142 HD2 -0.55 -0.00 -0.14 -0.04 1.69 0.95 2fpiA1 LYS 142 HD3 -0.86 -0.02 -0.06 -0.04 1.68 0.70 2fpiA1 LYS 142 HE2 -0.12 -0.12 -0.03 -0.04 2.99 2.67 2fpiA1 LYS 142 HE3 -0.05 -0.01 -0.15 -0.04 2.99 2.75 2fpiA1 ILE 143 H -0.03 0.67 0.12 -0.55 8.25 8.47 2fpiA1 ILE 143 HA 0.03 0.14 0.86 -0.75 4.18 4.46 2fpiA1 ILE 143 HB 0.00 -0.02 0.15 -0.04 1.89 1.99 2fpiA1 ILE 143 HG12 0.03 0.06 -0.27 -0.04 1.49 1.27 2fpiA1 ILE 143 HG13 0.02 -0.05 -0.45 -0.04 1.21 0.69 2fpiA1 ILE 143 HG23 0.02 -0.01 -0.18 -0.04 0.93 0.72 2fpiA1 ILE 143 HD13 0.02 0.01 -0.21 -0.04 0.88 0.65 2fpiA1 GLY 144 H 0.04 0.31 0.08 -0.55 8.43 8.32 2fpiA1 GLY 144 HA2 -0.02 -0.04 0.27 -0.51 4.01 3.70 2fpiA1 GLY 144 HA3 -0.03 0.34 0.86 -0.51 4.01 4.67 2fpiA1 ILE 145 H -0.04 0.45 0.21 -0.55 8.25 8.32 2fpiA1 ILE 145 HA -0.13 0.21 0.72 -0.75 4.18 4.24 2fpiA1 ILE 145 HB 0.03 -0.01 0.13 -0.04 1.89 2.00 2fpiA1 ILE 145 HG12 0.00 0.06 0.11 -0.04 1.49 1.62 2fpiA1 ILE 145 HG13 0.11 -0.01 -0.17 -0.04 1.21 1.11 2fpiA1 ILE 145 HG23 -0.43 -0.00 -0.09 -0.04 0.93 0.36 2fpiA1 ILE 145 HD13 0.05 -0.02 -0.06 -0.04 0.88 0.80 2fpiA1 MET 146 H -0.02 0.16 -0.46 -0.55 8.47 7.61 2fpiA1 MET 146 HA -0.02 0.13 0.58 -0.75 4.52 4.46 2fpiA1 MET 146 HB2 -0.08 0.03 -0.15 -0.04 2.15 1.91 2fpiA1 MET 146 HB3 0.10 -0.06 -0.21 -0.04 2.03 1.82 2fpiA1 MET 146 HG2 -0.25 0.02 -0.53 -0.04 2.63 1.83 2fpiA1 MET 146 HG3 -0.12 0.01 -0.33 -0.04 2.56 2.08 2fpiA1 MET 146 HE3 -0.03 0.01 -0.59 -0.04 2.10 1.45 2fpiA1 PRO 147 HA 0.04 0.05 0.45 -0.51 4.44 4.47 2fpiA1 PRO 147 HB2 -0.06 -0.00 -0.03 -0.04 2.28 2.15 2fpiA1 PRO 147 HB3 0.03 0.05 0.05 -0.04 2.02 2.11 2fpiA1 PRO 147 HG2 -0.41 0.02 0.06 -0.04 2.03 1.66 2fpiA1 PRO 147 HG3 -0.37 0.02 0.03 -0.04 2.03 1.68 2fpiA1 PRO 147 HD2 -1.13 0.04 0.09 -0.04 3.68 2.65 2fpiA1 PRO 147 HD3 -0.41 0.15 0.15 -0.04 3.65 3.50 2fpiA1 GLY 148 H -0.01 0.18 0.16 -0.55 8.43 8.21 2fpiA1 GLY 148 HA2 -0.33 0.09 0.35 -0.51 4.01 3.61 2fpiA1 GLY 148 HA3 -0.35 0.10 0.29 -0.51 4.01 3.54 2fpiA1 HIS 149 H 0.41 0.08 -0.02 -0.55 8.41 8.33 2fpiA1 HIS 149 HA 0.17 0.14 0.23 -0.75 4.63 4.42 2fpiA1 HIS 149 HB2 0.07 0.06 0.10 -0.04 3.26 3.45 2fpiA1 HIS 149 HB3 0.10 -0.00 0.10 -0.04 3.20 3.35 2fpiA1 HIS 149 HD2 0.04 0.03 -0.15 -0.04 6.97 6.85 2fpiA1 HIS 149 HE1 0.01 -0.03 -0.07 -0.04 7.75 7.62 2fpiA1 ILE 150 H -0.23 0.12 -0.97 -0.55 8.25 6.62 2fpiA1 ILE 150 HA -0.15 0.20 0.76 -0.75 4.18 4.23 2fpiA1 ILE 150 HB -0.14 -0.04 0.04 -0.04 1.89 1.71 2fpiA1 ILE 150 HG12 -0.20 0.22 -0.08 -0.04 1.49 1.39 2fpiA1 ILE 150 HG13 -0.39 0.05 -0.35 -0.04 1.21 0.48 2fpiA1 ILE 150 HG23 -0.44 -0.03 -0.12 -0.04 0.93 0.30 2fpiA1 ILE 150 HD13 -0.23 -0.04 -0.05 -0.04 0.88 0.52 2fpiA1 HIS 151 H 0.24 0.73 -0.04 -0.55 8.41 8.79 2fpiA1 HIS 151 HA -0.01 0.09 0.72 -0.75 4.63 4.68 2fpiA1 HIS 151 HB2 0.07 0.03 0.00 -0.04 3.26 3.32 2fpiA1 HIS 151 HB3 0.03 -0.02 -0.10 -0.04 3.20 3.06 2fpiA1 HIS 151 HD2 -0.00 0.02 -0.13 -0.04 6.97 6.80 2fpiA1 HIS 151 HE1 -0.20 -0.01 -0.20 -0.04 7.75 7.30 2fpiA1 LYS 152 H 0.06 0.17 0.10 -0.55 8.42 8.21 2fpiA1 LYS 152 HA 0.07 0.18 0.81 -0.75 4.32 4.63 2fpiA1 LYS 152 HB2 0.02 0.03 -0.13 -0.04 1.87 1.75 2fpiA1 LYS 152 HB3 0.01 -0.15 0.08 -0.04 1.79 1.68 2fpiA1 LYS 152 HG2 0.03 0.21 -0.11 -0.04 1.46 1.55 2fpiA1 LYS 152 HG3 0.03 -0.02 0.00 -0.04 1.46 1.43 2fpiA1 LYS 152 HD2 0.01 -0.03 -0.20 -0.04 1.69 1.43 2fpiA1 LYS 152 HD3 0.01 0.05 -0.07 -0.04 1.68 1.64 2fpiA1 LYS 152 HE2 0.01 -0.01 -0.05 -0.04 2.99 2.89 2fpiA1 LYS 152 HE3 -0.01 -0.12 -0.05 -0.04 2.99 2.76 2fpiA1 LYS 153 H 0.07 0.12 0.01 -0.55 8.42 8.07 2fpiA1 LYS 153 HA 0.07 0.21 0.51 -0.75 4.32 4.36 2fpiA1 LYS 153 HB2 0.06 0.03 0.03 -0.04 1.87 1.96 2fpiA1 LYS 153 HB3 0.05 -0.06 0.07 -0.04 1.79 1.80 2fpiA1 LYS 153 HG2 0.05 -0.07 0.01 -0.04 1.46 1.41 2fpiA1 LYS 153 HG3 0.06 0.07 -0.10 -0.04 1.46 1.45 2fpiA1 LYS 153 HD2 0.08 0.09 0.23 -0.04 1.69 2.05 2fpiA1 LYS 153 HD3 0.08 0.19 0.10 -0.04 1.68 2.01 2fpiA1 LYS 153 HE2 0.08 -0.10 0.07 -0.04 2.99 3.00 2fpiA1 LYS 153 HE3 0.09 0.09 0.17 -0.04 2.99 3.30 2fpiA1 GLY 154 H 0.05 0.68 0.10 -0.55 8.43 8.71 2fpiA1 GLY 154 HA2 0.04 0.10 0.45 -0.51 4.01 4.09 2fpiA1 GLY 154 HA3 0.02 0.01 0.27 -0.51 4.01 3.79 2fpiA1 ARG 155 H 0.01 0.45 0.07 -0.55 8.46 8.44 2fpiA1 ARG 155 HA 0.06 0.43 1.00 -0.75 4.34 5.08 2fpiA1 ARG 155 HB2 0.13 -0.01 0.04 -0.04 1.90 2.02 2fpiA1 ARG 155 HB3 0.19 -0.03 0.19 -0.04 1.80 2.10 2fpiA1 ARG 155 HG2 0.10 0.07 -0.02 -0.04 1.67 1.78 2fpiA1 ARG 155 HG3 0.07 -0.13 -0.06 -0.04 1.67 1.50 2fpiA1 ARG 155 HD2 0.10 -0.01 0.03 -0.04 3.22 3.30 2fpiA1 ARG 155 HD3 0.12 -0.01 0.05 -0.04 3.22 3.34 2fpiA1 ILE 156 H -0.04 0.39 0.03 -0.55 8.25 8.08 2fpiA1 ILE 156 HA -0.04 0.29 1.00 -0.75 4.18 4.68 2fpiA1 ILE 156 HB -0.09 -0.03 0.06 -0.04 1.89 1.79 2fpiA1 ILE 156 HG12 -0.16 0.13 -0.06 -0.04 1.49 1.36 2fpiA1 ILE 156 HG13 -0.17 -0.09 -0.12 -0.04 1.21 0.79 2fpiA1 ILE 156 HG23 -0.10 0.00 -0.35 -0.04 0.93 0.44 2fpiA1 ILE 156 HD13 -0.28 0.00 -0.24 -0.04 0.88 0.32 2fpiA1 GLY 157 H -0.27 0.74 0.44 -0.55 8.43 8.80 2fpiA1 GLY 157 HA2 -0.57 0.03 0.79 -0.51 4.01 3.76 2fpiA1 GLY 157 HA3 -1.45 0.08 0.43 -0.51 4.01 2.56 2fpiA1 ILE 158 H -0.24 0.59 0.42 -0.55 8.25 8.47 2fpiA1 ILE 158 HA -0.06 0.35 1.31 -0.75 4.18 5.03 2fpiA1 ILE 158 HB 0.03 -0.08 0.10 -0.04 1.89 1.90 2fpiA1 ILE 158 HG12 -0.05 0.02 -0.18 -0.04 1.49 1.24 2fpiA1 ILE 158 HG13 -0.08 0.11 -0.36 -0.04 1.21 0.84 2fpiA1 ILE 158 HG23 0.06 -0.02 -0.17 -0.04 0.93 0.76 2fpiA1 ILE 158 HD13 -0.02 -0.02 -0.17 -0.04 0.88 0.63 2fpiA1 VAL 159 H 0.17 0.57 0.38 -0.55 8.24 8.80 2fpiA1 VAL 159 HA 0.20 0.41 0.99 -0.75 4.13 4.97 2fpiA1 VAL 159 HB 0.47 0.05 -0.09 -0.04 2.12 2.52 2fpiA1 VAL 159 HG13 0.37 0.00 0.06 -0.04 0.97 1.36 2fpiA1 VAL 159 HG23 0.15 -0.00 0.06 -0.04 0.95 1.11 2fpiA1 SER 160 H 0.12 0.52 0.43 -0.55 8.46 8.98 2fpiA1 SER 160 HA 0.26 0.37 0.99 -0.75 4.49 5.36 2fpiA1 SER 160 HB2 0.10 0.03 -0.18 -0.04 3.95 3.87 2fpiA1 SER 160 HB3 0.07 0.07 0.04 -0.04 3.93 4.07 2fpiA1 ARG 161 H 0.15 0.36 0.23 -0.55 8.46 8.65 2fpiA1 ARG 161 HA -0.07 0.19 0.78 -0.75 4.34 4.48 2fpiA1 ARG 161 HB2 0.10 -0.09 0.07 -0.04 1.90 1.94 2fpiA1 ARG 161 HB3 -0.01 0.05 0.05 -0.04 1.80 1.84 2fpiA1 ARG 161 HG2 -0.21 0.22 0.02 -0.04 1.67 1.66 2fpiA1 ARG 161 HG3 -0.19 -0.07 -0.07 -0.04 1.67 1.30 2fpiA1 ARG 161 HD2 0.05 -0.11 -0.02 -0.04 3.22 3.11 2fpiA1 ARG 161 HD3 0.22 -0.15 0.04 -0.04 3.22 3.29 2fpiA1 SER 162 H 0.03 0.05 -0.09 -0.55 8.46 7.90 2fpiA1 SER 162 HA -0.03 0.35 1.10 -0.75 4.49 5.16 2fpiA1 SER 162 HB2 -0.04 -0.12 0.06 -0.04 3.95 3.81 2fpiA1 SER 162 HB3 0.00 0.11 -0.14 -0.04 3.93 3.86 2fpiA1 GLY 163 H -0.10 0.14 0.11 -0.55 8.43 8.03 2fpiA1 GLY 163 HA2 -0.18 0.22 0.57 -0.51 4.01 4.11 2fpiA1 GLY 163 HA3 -0.20 0.08 0.34 -0.51 4.01 3.73 2fpiA1 THR 164 H -0.29 0.17 0.12 -0.55 8.28 7.73 2fpiA1 THR 164 HA -1.29 0.16 0.40 -0.75 4.39 2.91 2fpiA1 THR 164 HB -0.07 0.06 -0.00 -0.04 4.32 4.27 2fpiA1 THR 164 HG23 0.03 0.03 0.03 -0.04 1.22 1.27 2fpiA1 LEU 165 H -0.15 0.07 -0.27 -0.55 8.37 7.47 2fpiA1 LEU 165 HA -0.06 0.10 0.37 -0.75 4.35 4.00 2fpiA1 LEU 165 HB2 -0.03 0.01 0.03 -0.04 1.64 1.61 2fpiA1 LEU 165 HB3 -0.03 -0.03 -0.10 -0.04 1.64 1.45 2fpiA1 LEU 165 HG 0.04 0.03 -0.19 -0.04 1.64 1.49 2fpiA1 LEU 165 HD13 -0.06 0.00 0.02 -0.04 0.93 0.85 2fpiA1 LEU 165 HD23 0.14 0.01 -0.06 -0.04 0.89 0.94 2fpiA1 THR 166 H -0.17 0.25 -0.60 -0.55 8.28 7.21 2fpiA1 THR 166 HA 0.03 0.03 0.30 -0.75 4.39 3.99 2fpiA1 THR 166 HB -0.01 0.19 -0.00 -0.04 4.32 4.46 2fpiA1 THR 166 HG23 0.12 -0.01 -0.17 -0.04 1.22 1.12 2fpiA1 TYR 167 H -0.16 0.24 -0.29 -0.55 8.29 7.53 2fpiA1 TYR 167 HA -0.05 0.08 0.36 -0.75 4.56 4.19 2fpiA1 TYR 167 HB2 -0.01 0.13 0.12 -0.04 3.06 3.25 2fpiA1 TYR 167 HB3 -0.03 0.01 0.02 -0.04 2.98 2.94 2fpiA1 TYR 167 HD2 0.02 -0.04 -0.12 -0.04 7.15 6.96 2fpiA1 TYR 167 HE2 0.05 0.01 -0.11 -0.04 6.85 6.75 2fpiA1 GLU 168 H 0.05 0.32 -0.36 -0.55 8.60 8.06 2fpiA1 GLU 168 HA 0.05 0.04 0.39 -0.75 4.29 4.02 2fpiA1 GLU 168 HB2 -0.02 0.22 0.21 -0.04 2.09 2.46 2fpiA1 GLU 168 HB3 -0.02 0.02 -0.04 -0.04 1.99 1.91 2fpiA1 GLU 168 HG2 -0.02 -0.02 -0.00 -0.04 2.34 2.27 2fpiA1 GLU 168 HG3 -0.05 -0.04 -0.01 -0.04 2.34 2.19 2fpiA1 ALA 169 H 0.02 0.37 -0.17 -0.55 8.40 8.08 2fpiA1 ALA 169 HA -0.01 -0.05 0.29 -0.75 4.34 3.81 2fpiA1 ALA 169 HB3 0.01 0.04 0.01 -0.04 1.41 1.43 2fpiA1 VAL 170 H 0.01 0.60 -0.17 -0.55 8.24 8.13 2fpiA1 VAL 170 HA -0.08 0.02 0.36 -0.75 4.13 3.67 2fpiA1 VAL 170 HB -0.13 0.06 0.04 -0.04 2.12 2.05 2fpiA1 VAL 170 HG13 -0.47 0.01 -0.27 -0.04 0.97 0.19 2fpiA1 VAL 170 HG23 -0.16 0.02 -0.08 -0.04 0.95 0.68 2fpiA1 HIS 171 H 0.07 0.50 -0.27 -0.55 8.41 8.17 2fpiA1 HIS 171 HA -0.09 0.11 0.47 -0.75 4.63 4.37 2fpiA1 HIS 171 HB2 -0.05 0.00 0.12 -0.04 3.26 3.29 2fpiA1 HIS 171 HB3 -0.03 0.10 0.22 -0.04 3.20 3.45 2fpiA1 HIS 171 HD2 -0.03 -0.02 -0.09 -0.04 6.97 6.78 2fpiA1 HIS 171 HE1 -0.01 0.01 -0.02 -0.04 7.75 7.68 2fpiA1 GLN 172 H 0.01 0.63 -0.13 -0.55 8.47 8.44 2fpiA1 GLN 172 HA -0.17 0.02 0.32 -0.75 4.36 3.78 2fpiA1 GLN 172 HB2 -0.03 0.12 0.09 -0.04 2.15 2.29 2fpiA1 GLN 172 HB3 -0.05 -0.28 0.04 -0.04 2.02 1.69 2fpiA1 GLN 172 HG2 0.01 -0.01 0.04 -0.04 2.40 2.39 2fpiA1 GLN 172 HG3 0.05 0.29 0.06 -0.04 2.39 2.75 2fpiA1 GLN 172 HE21 -0.07 0.33 0.08 -0.04 6.97 7.27 2fpiA1 GLN 172 HE22 -0.01 -0.04 -0.12 -0.04 7.69 7.49 2fpiA1 THR 173 H -0.08 0.46 -0.31 -0.55 8.28 7.81 2fpiA1 THR 173 HA -0.08 0.05 0.52 -0.75 4.39 4.13 2fpiA1 THR 173 HB -0.09 -0.01 -0.04 -0.04 4.32 4.14 2fpiA1 THR 173 HG23 -0.07 0.08 -0.11 -0.04 1.22 1.09 2fpiA1 THR 174 H -0.10 0.59 0.01 -0.55 8.28 8.23 2fpiA1 THR 174 HA -0.06 -0.14 0.29 -0.75 4.39 3.73 2fpiA1 THR 174 HB -0.05 -0.01 0.00 -0.04 4.32 4.22 2fpiA1 THR 174 HG23 -0.06 0.08 0.08 -0.04 1.22 1.29 2fpiA1 GLN 175 H -0.25 0.63 -0.14 -0.55 8.47 8.17 2fpiA1 GLN 175 HA -0.14 0.04 0.36 -0.75 4.36 3.87 2fpiA1 GLN 175 HB2 -0.24 0.02 -0.02 -0.04 2.15 1.87 2fpiA1 GLN 175 HB3 -0.18 -0.06 0.07 -0.04 2.02 1.81 2fpiA1 GLN 175 HG2 -0.66 0.57 0.15 -0.04 2.40 2.42 2fpiA1 GLN 175 HG3 -0.76 -0.12 -0.04 -0.04 2.39 1.43 2fpiA1 GLN 175 HE21 -0.04 -0.01 -0.04 -0.04 6.97 6.83 2fpiA1 GLN 175 HE22 -0.21 0.07 0.01 -0.04 7.69 7.52 2fpiA1 VAL 176 H -0.12 0.47 -0.51 -0.55 8.24 7.53 2fpiA1 VAL 176 HA -0.20 0.10 0.83 -0.75 4.13 4.10 2fpiA1 VAL 176 HB -0.37 -0.04 0.13 -0.04 2.12 1.80 2fpiA1 VAL 176 HG13 -0.23 -0.03 -0.10 -0.04 0.97 0.57 2fpiA1 VAL 176 HG23 -0.03 0.03 0.04 -0.04 0.95 0.95 2fpiA1 GLY 177 H -0.07 0.78 -0.13 -0.55 8.43 8.47 2fpiA1 GLY 177 HA2 -0.02 0.05 0.34 -0.51 4.01 3.87 2fpiA1 GLY 177 HA3 0.00 0.02 0.38 -0.51 4.01 3.89 2fpiA1 LEU 178 H -0.03 0.33 -0.21 -0.55 8.37 7.91 2fpiA1 LEU 178 HA -0.02 0.20 0.47 -0.75 4.35 4.25 2fpiA1 LEU 178 HB2 -0.10 -0.08 -0.02 -0.04 1.64 1.41 2fpiA1 LEU 178 HB3 -0.19 -0.01 -0.02 -0.04 1.64 1.37 2fpiA1 LEU 178 HG 0.08 0.03 -0.12 -0.04 1.64 1.60 2fpiA1 LEU 178 HD13 -0.35 -0.02 -0.11 -0.04 0.93 0.40 2fpiA1 LEU 178 HD23 -0.05 0.01 -0.14 -0.04 0.89 0.67 2fpiA1 GLY 179 H -0.04 -0.06 -0.26 -0.55 8.43 7.51 2fpiA1 GLY 179 HA2 -0.01 -0.02 0.28 -0.51 4.01 3.75 2fpiA1 GLY 179 HA3 0.00 0.25 0.17 -0.51 4.01 3.92 2fpiA1 GLN 180 H 0.03 0.82 0.26 -0.55 8.47 9.04 2fpiA1 GLN 180 HA -0.02 0.17 0.94 -0.75 4.36 4.69 2fpiA1 GLN 180 HB2 0.08 -0.05 -0.08 -0.04 2.15 2.06 2fpiA1 GLN 180 HB3 0.01 0.04 -0.03 -0.04 2.02 2.00 2fpiA1 GLN 180 HG2 -0.01 -0.06 -0.12 -0.04 2.40 2.17 2fpiA1 GLN 180 HG3 -0.04 0.09 -0.29 -0.04 2.39 2.12 2fpiA1 GLN 180 HE21 -0.08 0.08 0.07 -0.04 6.97 7.00 2fpiA1 GLN 180 HE22 -0.07 0.01 -0.10 -0.04 7.69 7.48 2fpiA1 SER 181 H -0.04 0.37 -0.16 -0.55 8.46 8.08 2fpiA1 SER 181 HA 0.08 0.20 0.79 -0.75 4.49 4.81 2fpiA1 SER 181 HB2 0.12 -0.03 -0.22 -0.04 3.95 3.79 2fpiA1 SER 181 HB3 0.08 0.24 -0.15 -0.04 3.93 4.07 2fpiA1 LEU 182 H -0.07 0.12 0.09 -0.55 8.37 7.96 2fpiA1 LEU 182 HA 0.00 0.23 0.66 -0.75 4.35 4.49 2fpiA1 LEU 182 HB2 -0.41 0.14 -0.14 -0.04 1.64 1.18 2fpiA1 LEU 182 HB3 -0.00 -0.07 0.01 -0.04 1.64 1.53 2fpiA1 LEU 182 HG -0.01 -0.05 -0.32 -0.04 1.64 1.22 2fpiA1 LEU 182 HD13 -0.08 0.06 -0.05 -0.04 0.93 0.82 2fpiA1 LEU 182 HD23 -0.53 0.01 -0.19 -0.04 0.89 0.14 2fpiA1 CYS 183 H 0.04 0.74 0.34 -0.55 8.50 9.07 2fpiA1 CYS 183 HA 0.09 0.25 1.23 -0.75 4.58 5.39 2fpiA1 CYS 183 HB2 0.11 -0.06 0.08 -0.04 2.97 3.06 2fpiA1 CYS 183 HB3 0.13 -0.05 -0.06 -0.04 2.97 2.94 2fpiA1 VAL 184 H 0.17 0.86 0.38 -0.55 8.24 9.10 2fpiA1 VAL 184 HA 0.04 0.22 1.13 -0.75 4.13 4.77 2fpiA1 VAL 184 HB 0.07 -0.03 0.16 -0.04 2.12 2.28 2fpiA1 VAL 184 HG13 -0.03 -0.02 -0.27 -0.04 0.97 0.61 2fpiA1 VAL 184 HG23 0.01 0.01 -0.24 -0.04 0.95 0.69 2fpiA1 GLY 185 H 0.03 0.75 0.22 -0.55 8.43 8.88 2fpiA1 GLY 185 HA2 0.03 0.09 0.90 -0.51 4.01 4.52 2fpiA1 GLY 185 HA3 0.02 -0.07 0.35 -0.51 4.01 3.81 2fpiA1 ILE 186 H -0.07 0.43 0.24 -0.55 8.25 8.31 2fpiA1 ILE 186 HA -0.08 0.05 0.49 -0.75 4.18 3.89 2fpiA1 ILE 186 HB -0.18 0.20 0.18 -0.04 1.89 2.05 2fpiA1 ILE 186 HG12 -0.26 0.13 -0.04 -0.04 1.49 1.28 2fpiA1 ILE 186 HG13 -0.28 0.16 -0.20 -0.04 1.21 0.85 2fpiA1 ILE 186 HG23 -0.16 -0.02 -0.19 -0.04 0.93 0.52 2fpiA1 ILE 186 HD13 -0.94 -0.05 -0.13 -0.04 0.88 -0.28 2fpiA1 GLY 187 H -0.06 -0.02 -0.30 -0.55 8.43 7.50 2fpiA1 GLY 187 HA2 -0.05 0.07 0.45 -0.51 4.01 3.97 2fpiA1 GLY 187 HA3 -0.07 0.27 0.53 -0.51 4.01 4.24 2fpiA1 GLY 188 H -0.05 0.39 0.33 -0.55 8.43 8.57 2fpiA1 GLY 188 HA2 -0.05 0.17 0.80 -0.51 4.01 4.41 2fpiA1 GLY 188 HA3 -0.04 -0.09 0.46 -0.51 4.01 3.83 2fpiA1 ASP 189 H -0.06 0.25 -0.24 -0.55 8.40 7.81 2fpiA1 ASP 189 HA -0.05 0.05 0.75 -0.75 4.63 4.62 2fpiA1 ASP 189 HB2 -0.04 0.16 -0.09 -0.04 2.71 2.70 2fpiA1 ASP 189 HB3 -0.02 -0.04 -0.05 -0.04 2.70 2.55 2fpiA1 PRO 190 HA -0.29 0.13 0.51 -0.51 4.44 4.28 2fpiA1 PRO 190 HB2 -0.91 0.01 -0.02 -0.04 2.28 1.32 2fpiA1 PRO 190 HB3 -0.29 0.04 0.08 -0.04 2.02 1.82 2fpiA1 PRO 190 HG2 -0.03 -0.01 0.06 -0.04 2.03 2.01 2fpiA1 PRO 190 HG3 -0.07 0.08 -0.03 -0.04 2.03 1.96 2fpiA1 PRO 190 HD2 -0.03 0.08 0.17 -0.04 3.68 3.86 2fpiA1 PRO 190 HD3 -0.07 0.13 -0.01 -0.04 3.65 3.65 2fpiA1 PHE 191 H -0.04 0.12 -0.10 -0.55 8.34 7.77 2fpiA1 PHE 191 HA -0.04 0.17 0.89 -0.75 4.62 4.89 2fpiA1 PHE 191 HB2 -0.03 -0.07 0.03 -0.04 3.15 3.04 2fpiA1 PHE 191 HB3 -0.04 0.08 -0.08 -0.04 3.06 2.98 2fpiA1 PHE 191 HD2 -0.03 0.01 -0.02 -0.04 7.28 7.20 2fpiA1 PHE 191 HE2 -0.02 -0.02 -0.05 -0.04 7.38 7.26 2fpiA1 PHE 191 HZ -0.01 -0.01 -0.05 -0.04 7.32 7.20 2fpiA1 ASN 192 H 0.01 0.24 0.08 -0.55 8.53 8.33 2fpiA1 ASN 192 HA 0.01 0.17 0.85 -0.75 4.76 5.04 2fpiA1 ASN 192 HB2 -0.05 0.01 0.05 -0.04 2.88 2.85 2fpiA1 ASN 192 HB3 -0.05 -0.01 -0.38 -0.04 2.79 2.32 2fpiA1 ASN 192 HD21 -0.15 -0.12 -0.11 -0.04 7.03 6.61 2fpiA1 ASN 192 HD22 -0.11 0.13 -0.25 -0.04 7.74 7.47 2fpiA1 GLY 193 H -0.01 0.73 0.24 -0.55 8.43 8.84 2fpiA1 GLY 193 HA2 -0.01 -0.01 0.37 -0.51 4.01 3.84 2fpiA1 GLY 193 HA3 0.06 0.01 0.29 -0.51 4.01 3.86 2fpiA1 THR 194 H -0.02 0.15 -0.03 -0.55 8.28 7.83 2fpiA1 THR 194 HA 0.04 0.13 0.91 -0.75 4.39 4.72 2fpiA1 THR 194 HB -0.06 -0.13 0.10 -0.04 4.32 4.20 2fpiA1 THR 194 HG23 -0.10 0.02 -0.14 -0.04 1.22 0.97 2fpiA1 ASP 195 H -0.07 0.08 0.11 -0.55 8.40 7.97 2fpiA1 ASP 195 HA -0.25 0.30 0.87 -0.75 4.63 4.80 2fpiA1 ASP 195 HB2 -0.11 -0.07 0.17 -0.04 2.71 2.66 2fpiA1 ASP 195 HB3 -0.07 0.14 -0.08 -0.04 2.70 2.65 2fpiA1 PHE 196 H -0.10 0.14 0.13 -0.55 8.34 7.95 2fpiA1 PHE 196 HA -0.07 0.17 0.45 -0.75 4.62 4.42 2fpiA1 PHE 196 HB2 -0.06 -0.02 0.16 -0.04 3.15 3.19 2fpiA1 PHE 196 HB3 -0.04 0.08 -0.04 -0.04 3.06 3.02 2fpiA1 PHE 196 HD2 -0.01 0.03 -0.17 -0.04 7.28 7.09 2fpiA1 PHE 196 HE2 -0.01 0.00 -0.20 -0.04 7.38 7.13 2fpiA1 PHE 196 HZ -0.01 -0.01 -0.03 -0.04 7.32 7.23 2fpiA1 THR 197 H 0.00 0.11 0.02 -0.55 8.28 7.87 2fpiA1 THR 197 HA -0.48 0.12 0.30 -0.75 4.39 3.57 2fpiA1 THR 197 HB -0.75 0.11 0.01 -0.04 4.32 3.65 2fpiA1 THR 197 HG23 -0.05 0.01 -0.07 -0.04 1.22 1.07 2fpiA1 ASP 198 H -0.16 -0.04 -0.51 -0.55 8.40 7.14 2fpiA1 ASP 198 HA -0.20 0.09 0.36 -0.75 4.63 4.12 2fpiA1 ASP 198 HB2 -0.13 0.14 0.04 -0.04 2.71 2.72 2fpiA1 ASP 198 HB3 -0.14 0.12 -0.03 -0.04 2.70 2.61 2fpiA1 CYS 199 H -0.19 0.28 -0.28 -0.55 8.50 7.77 2fpiA1 CYS 199 HA -0.41 0.09 0.47 -0.75 4.58 3.98 2fpiA1 CYS 199 HB2 -0.14 0.09 0.16 -0.04 2.97 3.03 2fpiA1 CYS 199 HB3 -0.63 -0.01 -0.05 -0.04 2.97 2.24 2fpiA1 LEU 200 H -0.23 0.41 -0.07 -0.55 8.37 7.93 2fpiA1 LEU 200 HA 0.01 0.05 0.30 -0.75 4.35 3.95 2fpiA1 LEU 200 HB2 -0.25 -0.03 0.02 -0.04 1.64 1.34 2fpiA1 LEU 200 HB3 0.21 0.08 -0.08 -0.04 1.64 1.81 2fpiA1 LEU 200 HG 0.05 0.04 -0.15 -0.04 1.64 1.55 2fpiA1 LEU 200 HD13 0.07 -0.03 -0.16 -0.04 0.93 0.76 2fpiA1 LEU 200 HD23 0.21 0.02 -0.13 -0.04 0.89 0.95 2fpiA1 GLU 201 H -0.29 0.48 -0.27 -0.55 8.60 7.97 2fpiA1 GLU 201 HA 0.22 0.06 0.38 -0.75 4.29 4.19 2fpiA1 GLU 201 HB2 -0.17 -0.02 0.09 -0.04 2.09 1.94 2fpiA1 GLU 201 HB3 -0.13 0.12 0.13 -0.04 1.99 2.06 2fpiA1 GLU 201 HG2 -0.01 -0.04 -0.02 -0.04 2.34 2.23 2fpiA1 GLU 201 HG3 0.03 0.03 -0.15 -0.04 2.34 2.21 2fpiA1 ILE 202 H -0.17 0.25 -0.21 -0.55 8.25 7.56 2fpiA1 ILE 202 HA 0.02 -0.00 0.16 -0.75 4.18 3.60 2fpiA1 ILE 202 HB -0.39 0.13 0.12 -0.04 1.89 1.70 2fpiA1 ILE 202 HG12 -0.13 0.08 0.06 -0.04 1.49 1.46 2fpiA1 ILE 202 HG13 -0.12 0.01 -0.06 -0.04 1.21 0.99 2fpiA1 ILE 202 HG23 0.03 -0.01 -0.19 -0.04 0.93 0.72 2fpiA1 ILE 202 HD13 0.01 -0.03 -0.18 -0.04 0.88 0.64 2fpiA1 PHE 203 H -0.33 0.50 -0.14 -0.55 8.34 7.82 2fpiA1 PHE 203 HA 0.07 -0.02 0.45 -0.75 4.62 4.36 2fpiA1 PHE 203 HB2 0.06 0.01 0.05 -0.04 3.15 3.23 2fpiA1 PHE 203 HB3 0.06 0.02 -0.02 -0.04 3.06 3.09 2fpiA1 PHE 203 HD2 0.01 -0.01 -0.12 -0.04 7.28 7.12 2fpiA1 PHE 203 HE2 -0.05 -0.06 -0.22 -0.04 7.38 7.01 2fpiA1 PHE 203 HZ -0.02 0.05 -0.16 -0.04 7.32 7.15 2fpiA1 LEU 204 H 0.18 0.79 -0.03 -0.55 8.37 8.77 2fpiA1 LEU 204 HA 0.15 0.05 0.39 -0.75 4.35 4.19 2fpiA1 LEU 204 HB2 0.20 0.03 0.17 -0.04 1.64 2.00 2fpiA1 LEU 204 HB3 0.13 -0.02 0.07 -0.04 1.64 1.79 2fpiA1 LEU 204 HG 0.25 0.06 0.03 -0.04 1.64 1.94 2fpiA1 LEU 204 HD13 0.15 -0.01 -0.12 -0.04 0.93 0.91 2fpiA1 LEU 204 HD23 0.14 -0.01 -0.05 -0.04 0.89 0.93 2fpiA1 ASN 205 H 0.13 0.40 -0.38 -0.55 8.53 8.13 2fpiA1 ASN 205 HA 0.08 0.16 0.79 -0.75 4.76 5.04 2fpiA1 ASN 205 HB2 0.08 0.01 -0.05 -0.04 2.88 2.89 2fpiA1 ASN 205 HB3 0.06 -0.10 0.13 -0.04 2.79 2.85 2fpiA1 ASN 205 HD21 0.09 -0.10 -0.09 -0.04 7.03 6.89 2fpiA1 ASN 205 HD22 0.06 -0.04 -0.15 -0.04 7.74 7.57 2fpiA1 ASP 206 H 0.17 0.50 -0.27 -0.55 8.40 8.25 2fpiA1 ASP 206 HA 0.13 0.10 0.87 -0.75 4.63 4.98 2fpiA1 ASP 206 HB2 0.34 0.17 0.11 -0.04 2.71 3.29 2fpiA1 ASP 206 HB3 0.25 0.05 0.24 -0.04 2.70 3.20 2fpiA1 PRO 207 HA 0.05 0.20 0.49 -0.51 4.44 4.67 2fpiA1 PRO 207 HB2 0.03 -0.05 0.07 -0.04 2.28 2.29 2fpiA1 PRO 207 HB3 0.02 0.01 0.08 -0.04 2.02 2.10 2fpiA1 PRO 207 HG2 0.01 -0.04 0.09 -0.04 2.03 2.06 2fpiA1 PRO 207 HG3 0.03 0.10 0.02 -0.04 2.03 2.14 2fpiA1 PRO 207 HD2 0.03 -0.03 0.25 -0.04 3.68 3.88 2fpiA1 PRO 207 HD3 0.05 0.33 0.35 -0.04 3.65 4.33 2fpiA1 ALA 208 H 0.08 0.06 -0.10 -0.55 8.40 7.90 2fpiA1 ALA 208 HA 0.07 0.04 0.31 -0.75 4.34 4.00 2fpiA1 ALA 208 HB3 0.12 -0.01 0.05 -0.04 1.41 1.53 2fpiA1 THR 209 H 0.13 0.12 -0.57 -0.55 8.28 7.40 2fpiA1 THR 209 HA 0.06 0.13 0.84 -0.75 4.39 4.68 2fpiA1 THR 209 HB 0.15 0.32 0.24 -0.04 4.32 4.99 2fpiA1 THR 209 HG23 -0.01 -0.08 -0.05 -0.04 1.22 1.05 2fpiA1 GLU 210 H 0.12 0.43 0.42 -0.55 8.60 9.02 2fpiA1 GLU 210 HA 0.03 0.25 0.88 -0.75 4.29 4.69 2fpiA1 GLU 210 HB2 0.25 -0.07 0.11 -0.04 2.09 2.34 2fpiA1 GLU 210 HB3 -0.18 -0.05 0.07 -0.04 1.99 1.79 2fpiA1 GLU 210 HG2 -0.02 0.03 -0.01 -0.04 2.34 2.29 2fpiA1 GLU 210 HG3 0.05 0.11 -0.20 -0.04 2.34 2.26 2fpiA1 GLY 211 H 0.16 0.26 0.31 -0.55 8.43 8.62 2fpiA1 GLY 211 HA2 0.17 0.34 0.81 -0.51 4.01 4.83 2fpiA1 GLY 211 HA3 0.39 -0.08 0.31 -0.51 4.01 4.11 2fpiA1 ILE 212 H 0.08 0.58 0.35 -0.55 8.25 8.71 2fpiA1 ILE 212 HA -0.12 0.24 1.12 -0.75 4.18 4.66 2fpiA1 ILE 212 HB 0.08 0.02 0.04 -0.04 1.89 1.99 2fpiA1 ILE 212 HG12 -0.03 -0.05 -0.03 -0.04 1.49 1.34 2fpiA1 ILE 212 HG13 0.03 0.06 -0.69 -0.04 1.21 0.57 2fpiA1 ILE 212 HG23 0.10 -0.03 -0.28 -0.04 0.93 0.68 2fpiA1 ILE 212 HD13 0.23 0.01 -0.19 -0.04 0.88 0.89 2fpiA1 ILE 213 H -0.07 0.63 0.34 -0.55 8.25 8.60 2fpiA1 ILE 213 HA 0.01 0.35 1.12 -0.75 4.18 4.91 2fpiA1 ILE 213 HB -0.01 -0.04 0.08 -0.04 1.89 1.88 2fpiA1 ILE 213 HG12 -0.01 0.04 -0.06 -0.04 1.49 1.42 2fpiA1 ILE 213 HG13 -0.04 0.02 -0.23 -0.04 1.21 0.91 2fpiA1 ILE 213 HG23 0.03 -0.04 -0.20 -0.04 0.93 0.68 2fpiA1 ILE 213 HD13 -0.03 -0.02 -0.17 -0.04 0.88 0.62 2fpiA1 LEU 214 H 0.02 0.72 0.38 -0.55 8.37 8.94 2fpiA1 LEU 214 HA 0.07 0.28 1.12 -0.75 4.35 5.07 2fpiA1 LEU 214 HB2 -0.03 0.05 -0.09 -0.04 1.64 1.54 2fpiA1 LEU 214 HB3 -0.10 -0.03 0.07 -0.04 1.64 1.54 2fpiA1 LEU 214 HG -0.39 0.07 -0.08 -0.04 1.64 1.19 2fpiA1 LEU 214 HD13 -0.42 -0.01 -0.11 -0.04 0.93 0.35 2fpiA1 LEU 214 HD23 -0.54 -0.04 -0.33 -0.04 0.89 -0.06 2fpiA1 ILE 215 H 0.13 0.70 0.43 -0.55 8.25 8.95 2fpiA1 ILE 215 HA 0.08 0.29 1.14 -0.75 4.18 4.93 2fpiA1 ILE 215 HB 0.11 -0.07 0.22 -0.04 1.89 2.12 2fpiA1 ILE 215 HG12 0.12 -0.02 -0.08 -0.04 1.49 1.46 2fpiA1 ILE 215 HG13 0.10 0.01 -0.25 -0.04 1.21 1.03 2fpiA1 ILE 215 HG23 0.13 -0.04 -0.14 -0.04 0.93 0.84 2fpiA1 ILE 215 HD13 0.06 0.00 -0.13 -0.04 0.88 0.77 2fpiA1 GLY 216 H -0.00 0.73 0.47 -0.55 8.43 9.08 2fpiA1 GLY 216 HA2 0.22 0.13 0.92 -0.51 4.01 4.77 2fpiA1 GLY 216 HA3 0.02 0.04 0.35 -0.51 4.01 3.91 2fpiA1 GLU 217 H 0.06 0.35 0.21 -0.55 8.60 8.66 2fpiA1 GLU 217 HA -0.03 0.04 0.57 -0.75 4.29 4.13 2fpiA1 GLU 217 HB2 0.01 -0.06 0.19 -0.04 2.09 2.19 2fpiA1 GLU 217 HB3 0.03 -0.04 0.07 -0.04 1.99 2.01 2fpiA1 GLU 217 HG2 0.05 -0.21 -0.19 -0.04 2.34 1.95 2fpiA1 GLU 217 HG3 0.02 0.35 -0.11 -0.04 2.34 2.56 2fpiA1 ILE 218 H -0.01 0.07 0.18 -0.55 8.25 7.95 2fpiA1 ILE 218 HA -0.02 0.12 0.48 -0.75 4.18 4.01 2fpiA1 ILE 218 HB -0.01 -0.01 -0.00 -0.04 1.89 1.82 2fpiA1 ILE 218 HG12 -0.01 -0.06 0.05 -0.04 1.49 1.43 2fpiA1 ILE 218 HG13 -0.01 -0.02 -0.29 -0.04 1.21 0.85 2fpiA1 ILE 218 HG23 -0.02 -0.03 0.16 -0.04 0.93 1.01 2fpiA1 ILE 218 HD13 -0.01 0.03 -0.28 -0.04 0.88 0.58 2fpiA1 GLY 219 H -0.01 0.51 0.29 -0.55 8.43 8.67 2fpiA1 GLY 219 HA2 -0.02 0.05 0.57 -0.51 4.01 4.09 2fpiA1 GLY 219 HA3 -0.03 0.29 0.74 -0.51 4.01 4.50 2fpiA1 GLY 220 H -0.04 0.10 0.21 -0.55 8.43 8.16 2fpiA1 GLY 220 HA2 -0.05 0.04 0.40 -0.51 4.01 3.89 2fpiA1 GLY 220 HA3 -0.05 0.09 0.46 -0.51 4.01 3.99 2fpiA1 ASN 221 H -0.02 0.15 0.21 -0.55 8.53 8.33 2fpiA1 ASN 221 HA 0.01 0.21 0.94 -0.75 4.76 5.16 2fpiA1 ASN 221 HB2 0.02 -0.01 0.13 -0.04 2.88 2.97 2fpiA1 ASN 221 HB3 0.00 0.07 -0.04 -0.04 2.79 2.79 2fpiA1 ASN 221 HD21 0.01 0.06 -0.01 -0.04 7.03 7.06 2fpiA1 ASN 221 HD22 0.01 0.03 -0.02 -0.04 7.74 7.72 2fpiA1 ALA 222 H 0.03 0.21 0.12 -0.55 8.40 8.22 2fpiA1 ALA 222 HA 0.09 0.07 0.41 -0.75 4.34 4.15 2fpiA1 ALA 222 HB3 0.11 0.04 0.12 -0.04 1.41 1.64 2fpiA1 GLU 223 H 0.11 0.17 -0.39 -0.55 8.60 7.94 2fpiA1 GLU 223 HA -0.16 0.10 0.40 -0.75 4.29 3.87 2fpiA1 GLU 223 HB2 -0.01 0.02 0.01 -0.04 2.09 2.07 2fpiA1 GLU 223 HB3 -0.09 0.07 -0.08 -0.04 1.99 1.84 2fpiA1 GLU 223 HG2 -0.09 0.02 -0.05 -0.04 2.34 2.17 2fpiA1 GLU 223 HG3 -0.28 0.01 -0.06 -0.04 2.34 1.97 2fpiA1 GLU 224 H 0.02 0.13 -0.13 -0.55 8.60 8.08 2fpiA1 GLU 224 HA -0.00 0.09 0.47 -0.75 4.29 4.09 2fpiA1 GLU 224 HB2 0.01 0.08 0.17 -0.04 2.09 2.31 2fpiA1 GLU 224 HB3 0.01 0.04 0.04 -0.04 1.99 2.04 2fpiA1 GLU 224 HG2 -0.00 0.03 0.00 -0.04 2.34 2.33 2fpiA1 GLU 224 HG3 -0.01 0.03 -0.01 -0.04 2.34 2.31 2fpiA1 ASN 225 H 0.05 0.41 -0.23 -0.55 8.53 8.21 2fpiA1 ASN 225 HA 0.05 0.11 0.49 -0.75 4.76 4.66 2fpiA1 ASN 225 HB2 0.06 0.03 0.10 -0.04 2.88 3.03 2fpiA1 ASN 225 HB3 0.05 -0.00 0.04 -0.04 2.79 2.83 2fpiA1 ASN 225 HD21 0.03 0.01 -0.05 -0.04 7.03 6.97 2fpiA1 ASN 225 HD22 0.03 -0.03 -0.03 -0.04 7.74 7.67 2fpiA1 ALA 226 H 0.05 0.30 -0.30 -0.55 8.40 7.90 2fpiA1 ALA 226 HA 0.07 -0.02 0.43 -0.75 4.34 4.08 2fpiA1 ALA 226 HB3 -0.06 0.08 0.12 -0.04 1.41 1.50 2fpiA1 ALA 227 H 0.00 0.50 -0.10 -0.55 8.40 8.25 2fpiA1 ALA 227 HA 0.02 0.08 0.30 -0.75 4.34 3.98 2fpiA1 ALA 227 HB3 -0.00 0.05 -0.14 -0.04 1.41 1.28 2fpiA1 GLU 228 H 0.06 0.24 -0.56 -0.55 8.60 7.79 2fpiA1 GLU 228 HA 0.04 0.07 0.45 -0.75 4.29 4.09 2fpiA1 GLU 228 HB2 0.05 0.06 0.12 -0.04 2.09 2.27 2fpiA1 GLU 228 HB3 0.08 0.07 0.17 -0.04 1.99 2.28 2fpiA1 GLU 228 HG2 0.05 -0.05 -0.01 -0.04 2.34 2.29 2fpiA1 GLU 228 HG3 0.06 0.01 -0.12 -0.04 2.34 2.24 2fpiA1 PHE 229 H 0.20 0.59 0.00 -0.55 8.34 8.58 2fpiA1 PHE 229 HA -0.01 -0.01 0.37 -0.75 4.62 4.21 2fpiA1 PHE 229 HB2 -0.05 -0.05 0.15 -0.04 3.15 3.16 2fpiA1 PHE 229 HB3 -0.03 0.09 0.20 -0.04 3.06 3.29 2fpiA1 PHE 229 HD2 -0.14 0.01 -0.13 -0.04 7.28 6.98 2fpiA1 PHE 229 HE2 -0.28 0.05 -0.16 -0.04 7.38 6.95 2fpiA1 PHE 229 HZ -0.15 0.06 -0.09 -0.04 7.32 7.10 2fpiA1 LEU 230 H 0.13 0.48 -0.32 -0.55 8.37 8.11 2fpiA1 LEU 230 HA -0.06 0.05 0.39 -0.75 4.35 3.97 2fpiA1 LEU 230 HB2 0.05 0.03 0.04 -0.04 1.64 1.72 2fpiA1 LEU 230 HB3 0.04 0.12 -0.00 -0.04 1.64 1.77 2fpiA1 LEU 230 HG 0.22 -0.03 -0.08 -0.04 1.64 1.70 2fpiA1 LEU 230 HD13 0.05 -0.02 -0.15 -0.04 0.93 0.77 2fpiA1 LEU 230 HD23 0.17 0.01 -0.10 -0.04 0.89 0.93 2fpiA1 LYS 231 H 0.01 0.37 -0.21 -0.55 8.42 8.04 2fpiA1 LYS 231 HA -0.01 0.08 0.39 -0.75 4.32 4.03 2fpiA1 LYS 231 HB2 0.01 0.18 0.28 -0.04 1.87 2.30 2fpiA1 LYS 231 HB3 0.00 -0.07 -0.01 -0.04 1.79 1.67 2fpiA1 LYS 231 HG2 -0.00 -0.04 0.05 -0.04 1.46 1.43 2fpiA1 LYS 231 HG3 0.00 0.02 0.06 -0.04 1.46 1.51 2fpiA1 LYS 231 HD2 0.01 0.02 -0.06 -0.04 1.69 1.62 2fpiA1 LYS 231 HD3 0.01 -0.07 -0.01 -0.04 1.68 1.57 2fpiA1 LYS 231 HE2 0.00 -0.05 -0.02 -0.04 2.99 2.88 2fpiA1 LYS 231 HE3 0.00 0.17 -0.17 -0.04 2.99 2.95 2fpiA1 GLN 232 H -0.03 0.33 -0.26 -0.55 8.47 7.96 2fpiA1 GLN 232 HA -0.03 0.06 0.51 -0.75 4.36 4.14 2fpiA1 GLN 232 HB2 0.09 0.06 0.11 -0.04 2.15 2.36 2fpiA1 GLN 232 HB3 0.09 -0.04 -0.01 -0.04 2.02 2.01 2fpiA1 GLN 232 HG2 0.03 0.13 0.00 -0.04 2.40 2.52 2fpiA1 GLN 232 HG3 0.06 -0.08 -0.03 -0.04 2.39 2.29 2fpiA1 GLN 232 HE21 0.00 -0.03 -0.05 -0.04 6.97 6.85 2fpiA1 GLN 232 HE22 0.01 0.00 -0.06 -0.04 7.69 7.61 2fpiA1 HIS 233 H -0.19 0.61 0.06 -0.55 8.41 8.36 2fpiA1 HIS 233 HA -0.18 0.26 1.19 -0.75 4.63 5.14 2fpiA1 HIS 233 HB2 -0.89 0.03 0.04 -0.04 3.26 2.41 2fpiA1 HIS 233 HB3 -0.26 0.01 0.15 -0.04 3.20 3.06 2fpiA1 HIS 233 HD2 -0.06 0.02 -0.01 -0.04 6.97 6.88 2fpiA1 HIS 233 HE1 -0.04 -0.06 -0.05 -0.04 7.75 7.55 2fpiA1 ASN 234 H -0.06 0.54 -0.09 -0.55 8.53 8.37 2fpiA1 ASN 234 HA -0.00 0.21 0.95 -0.75 4.76 5.16 2fpiA1 ASN 234 HB2 0.02 -0.16 -0.00 -0.04 2.88 2.69 2fpiA1 ASN 234 HB3 0.01 0.08 0.13 -0.04 2.79 2.97 2fpiA1 ASN 234 HD21 0.04 0.39 0.11 -0.04 7.03 7.53 2fpiA1 ASN 234 HD22 0.03 -0.03 0.05 -0.04 7.74 7.75 2fpiA1 SER 235 H -0.04 0.12 -0.11 -0.55 8.46 7.89 2fpiA1 SER 235 HA -0.01 0.18 0.89 -0.75 4.49 4.79 2fpiA1 SER 235 HB2 -0.03 0.07 0.08 -0.04 3.95 4.03 2fpiA1 SER 235 HB3 -0.02 -0.14 0.10 -0.04 3.93 3.83 2fpiA1 GLY 236 H -0.02 0.07 0.11 -0.55 8.43 8.04 2fpiA1 GLY 236 HA2 -0.02 -0.02 0.37 -0.51 4.01 3.83 2fpiA1 GLY 236 HA3 -0.02 0.23 0.80 -0.51 4.01 4.50 2fpiA1 PRO 237 HA -0.02 0.03 0.38 -0.51 4.44 4.33 2fpiA1 PRO 237 HB2 -0.02 0.04 0.03 -0.04 2.28 2.29 2fpiA1 PRO 237 HB3 -0.02 0.02 0.10 -0.04 2.02 2.09 2fpiA1 PRO 237 HG2 -0.02 0.02 0.09 -0.04 2.03 2.08 2fpiA1 PRO 237 HG3 -0.02 0.02 0.12 -0.04 2.03 2.11 2fpiA1 PRO 237 HD2 -0.02 0.16 0.21 -0.04 3.68 3.98 2fpiA1 PRO 237 HD3 -0.02 0.07 0.21 -0.04 3.65 3.87 2fpiA1 LYS 238 H -0.02 0.12 -0.54 -0.55 8.42 7.43 2fpiA1 LYS 238 HA -0.02 0.30 1.08 -0.75 4.32 4.93 2fpiA1 LYS 238 HB2 -0.01 -0.05 0.01 -0.04 1.87 1.78 2fpiA1 LYS 238 HB3 -0.01 0.05 0.18 -0.04 1.79 1.97 2fpiA1 LYS 238 HG2 -0.02 0.14 -0.05 -0.04 1.46 1.48 2fpiA1 LYS 238 HG3 -0.02 -0.15 -0.35 -0.04 1.46 0.90 2fpiA1 LYS 238 HD2 -0.01 0.06 0.01 -0.04 1.69 1.71 2fpiA1 LYS 238 HD3 -0.01 -0.06 -0.03 -0.04 1.68 1.54 2fpiA1 LYS 238 HE2 -0.01 0.05 -0.02 -0.04 2.99 2.97 2fpiA1 LYS 238 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.91 2fpiA1 SER 239 H -0.01 0.25 -0.09 -0.55 8.46 8.06 2fpiA1 SER 239 HA 0.01 0.05 0.46 -0.75 4.49 4.26 2fpiA1 SER 239 HB2 0.01 0.19 0.13 -0.04 3.95 4.23 2fpiA1 SER 239 HB3 -0.01 -0.04 -0.14 -0.04 3.93 3.70 2fpiA1 LYS 240 H 0.03 0.08 0.18 -0.55 8.42 8.15 2fpiA1 LYS 240 HA -0.02 0.21 0.73 -0.75 4.32 4.48 2fpiA1 LYS 240 HB2 0.07 -0.15 -0.02 -0.04 1.87 1.72 2fpiA1 LYS 240 HB3 0.04 0.16 -0.09 -0.04 1.79 1.87 2fpiA1 LYS 240 HG2 0.01 0.06 0.00 -0.04 1.46 1.50 2fpiA1 LYS 240 HG3 0.04 -0.06 0.11 -0.04 1.46 1.51 2fpiA1 LYS 240 HD2 0.10 -0.12 -0.01 -0.04 1.69 1.61 2fpiA1 LYS 240 HD3 0.08 -0.09 -0.19 -0.04 1.68 1.44 2fpiA1 LYS 240 HE2 0.05 0.09 0.18 -0.04 2.99 3.26 2fpiA1 LYS 240 HE3 0.05 -0.10 0.07 -0.04 2.99 2.96 2fpiA1 PRO 241 HA 0.04 0.11 0.63 -0.51 4.44 4.70 2fpiA1 PRO 241 HB2 0.11 -0.10 0.00 -0.04 2.28 2.25 2fpiA1 PRO 241 HB3 0.03 0.04 0.09 -0.04 2.02 2.14 2fpiA1 PRO 241 HG2 0.26 -0.11 0.16 -0.04 2.03 2.30 2fpiA1 PRO 241 HG3 -0.01 0.00 0.01 -0.04 2.03 2.00 2fpiA1 PRO 241 HD2 -0.06 0.55 0.44 -0.04 3.68 4.57 2fpiA1 PRO 241 HD3 -0.09 0.16 0.23 -0.04 3.65 3.90 2fpiA1 VAL 242 H 0.05 0.22 0.20 -0.55 8.24 8.16 2fpiA1 VAL 242 HA 0.06 0.27 1.06 -0.75 4.13 4.77 2fpiA1 VAL 242 HB 0.03 -0.07 0.06 -0.04 2.12 2.10 2fpiA1 VAL 242 HG13 0.04 -0.04 -0.18 -0.04 0.97 0.76 2fpiA1 VAL 242 HG23 0.07 0.08 -0.23 -0.04 0.95 0.83 2fpiA1 VAL 243 H 0.03 0.83 0.46 -0.55 8.24 9.01 2fpiA1 VAL 243 HA 0.03 0.44 1.06 -0.75 4.13 4.91 2fpiA1 VAL 243 HB 0.02 0.02 0.14 -0.04 2.12 2.27 2fpiA1 VAL 243 HG13 0.04 -0.03 -0.05 -0.04 0.97 0.88 2fpiA1 VAL 243 HG23 0.04 -0.01 -0.18 -0.04 0.95 0.76 2fpiA1 SER 244 H 0.03 0.48 0.40 -0.55 8.46 8.82 2fpiA1 SER 244 HA 0.03 0.10 0.89 -0.75 4.49 4.76 2fpiA1 SER 244 HB2 -0.04 0.02 -0.22 -0.04 3.95 3.67 2fpiA1 SER 244 HB3 -0.03 -0.00 -0.16 -0.04 3.93 3.69 2fpiA1 PHE 245 H 0.08 0.48 0.31 -0.55 8.34 8.65 2fpiA1 PHE 245 HA -0.01 0.28 0.75 -0.75 4.62 4.88 2fpiA1 PHE 245 HB2 -0.01 0.03 -0.14 -0.04 3.15 2.99 2fpiA1 PHE 245 HB3 -0.01 -0.06 0.02 -0.04 3.06 2.97 2fpiA1 PHE 245 HD2 -0.00 0.11 -0.30 -0.04 7.28 7.05 2fpiA1 PHE 245 HE2 -0.00 0.14 -0.14 -0.04 7.38 7.34 2fpiA1 PHE 245 HZ -0.00 -0.10 0.01 -0.04 7.32 7.18 2fpiA1 ILE 246 H -1.11 0.30 0.07 -0.55 8.25 6.96 2fpiA1 ILE 246 HA -0.20 0.13 0.80 -0.75 4.18 4.15 2fpiA1 ILE 246 HB -0.29 -0.02 -0.05 -0.04 1.89 1.49 2fpiA1 ILE 246 HG12 -0.22 -0.06 -0.53 -0.04 1.49 0.64 2fpiA1 ILE 246 HG13 -0.16 0.02 -0.26 -0.04 1.21 0.77 2fpiA1 ILE 246 HG23 -0.11 0.00 -0.34 -0.04 0.93 0.44 2fpiA1 ILE 246 HD13 -0.13 0.01 -0.15 -0.04 0.88 0.56 2fpiA1 ALA 247 H -0.05 0.65 0.28 -0.55 8.40 8.73 2fpiA1 ALA 247 HA 0.02 0.12 0.77 -0.75 4.34 4.49 2fpiA1 ALA 247 HB3 0.16 0.01 0.13 -0.04 1.41 1.66 2fpiA1 GLY 248 H 0.05 0.10 0.26 -0.55 8.43 8.29 2fpiA1 GLY 248 HA2 0.01 0.06 0.37 -0.51 4.01 3.95 2fpiA1 GLY 248 HA3 -0.01 0.22 0.95 -0.51 4.01 4.66 2fpiA1 LEU 249 H 0.00 0.14 0.13 -0.55 8.37 8.10 2fpiA1 LEU 249 HA -0.02 0.02 0.52 -0.75 4.35 4.11 2fpiA1 LEU 249 HB2 -0.02 0.05 0.14 -0.04 1.64 1.78 2fpiA1 LEU 249 HB3 0.02 0.04 0.03 -0.04 1.64 1.68 2fpiA1 LEU 249 HG -0.01 0.04 0.07 -0.04 1.64 1.70 2fpiA1 LEU 249 HD13 -0.04 -0.01 0.01 -0.04 0.93 0.86 2fpiA1 LEU 249 HD23 -0.00 0.03 0.01 -0.04 0.89 0.89 2fpiA1 THR 250 H 0.02 -0.06 -0.20 -0.55 8.28 7.50 2fpiA1 THR 250 HA 0.01 0.25 0.72 -0.75 4.39 4.61 2fpiA1 THR 250 HB 0.01 0.06 0.13 -0.04 4.32 4.48 2fpiA1 THR 250 HG23 0.02 -0.00 -0.04 -0.04 1.22 1.15 2fpiA1 ALA 251 H 0.00 0.15 -0.45 -0.55 8.40 7.55 2fpiA1 ALA 251 HA 0.01 0.11 0.56 -0.75 4.34 4.26 2fpiA1 ALA 251 HB3 0.00 0.00 0.12 -0.04 1.41 1.49 2fpiA1 PRO 252 HA -0.00 0.13 0.67 -0.51 4.44 4.73 2fpiA1 PRO 252 HB2 -0.00 0.10 0.04 -0.04 2.28 2.38 2fpiA1 PRO 252 HB3 0.00 0.01 0.10 -0.04 2.02 2.10 2fpiA1 PRO 252 HG2 -0.00 -0.03 0.03 -0.04 2.03 1.99 2fpiA1 PRO 252 HG3 0.00 0.02 0.06 -0.04 2.03 2.07 2fpiA1 PRO 252 HD2 0.00 -0.01 0.24 -0.04 3.68 3.87 2fpiA1 PRO 252 HD3 0.00 0.20 0.20 -0.04 3.65 4.02 2fpiA1 PRO 253 HA -0.00 0.01 0.57 -0.51 4.44 4.50 2fpiA1 PRO 253 HB2 -0.00 0.01 0.02 -0.04 2.28 2.26 2fpiA1 PRO 253 HB3 -0.00 -0.01 0.08 -0.04 2.02 2.05 2fpiA1 PRO 253 HG2 -0.00 0.04 0.01 -0.04 2.03 2.04 2fpiA1 PRO 253 HG3 -0.00 0.03 0.06 -0.04 2.03 2.08 2fpiA1 PRO 253 HD2 -0.00 0.09 0.22 -0.04 3.68 3.95 2fpiA1 PRO 253 HD3 -0.00 0.16 0.22 -0.04 3.65 3.99 2fpiA1 GLY 254 H -0.00 0.50 0.31 -0.55 8.43 8.70 2fpiA1 GLY 254 HA2 -0.00 -0.01 0.39 -0.51 4.01 3.88 2fpiA1 GLY 254 HA3 -0.00 0.08 0.52 -0.51 4.01 4.10 2fpiA1 ARG 255 H -0.00 0.16 -0.31 -0.55 8.46 7.76 2fpiA1 ARG 255 HA -0.00 0.20 0.97 -0.75 4.34 4.76 2fpiA1 ARG 255 HB2 -0.00 0.06 -0.06 -0.04 1.90 1.86 2fpiA1 ARG 255 HB3 -0.00 -0.02 -0.06 -0.04 1.80 1.68 2fpiA1 ARG 255 HG2 -0.00 0.12 -0.27 -0.04 1.67 1.48 2fpiA1 ARG 255 HG3 -0.00 -0.03 -0.08 -0.04 1.67 1.52 2fpiA1 ARG 255 HD2 -0.00 0.06 -0.42 -0.04 3.22 2.82 2fpiA1 ARG 255 HD3 -0.00 -0.02 -0.09 -0.04 3.22 3.07 2fpiA1 ARG 256 H -0.00 0.16 0.09 -0.55 8.46 8.15 2fpiA1 ARG 256 HA -0.01 0.22 0.59 -0.75 4.34 4.39 2fpiA1 ARG 256 HB2 -0.01 0.03 -0.04 -0.04 1.90 1.85 2fpiA1 ARG 256 HB3 -0.00 -0.05 0.17 -0.04 1.80 1.87 2fpiA1 ARG 256 HG2 -0.01 -0.14 -0.28 -0.04 1.67 1.21 2fpiA1 ARG 256 HG3 -0.01 0.05 -0.41 -0.04 1.67 1.26 2fpiA1 ARG 256 HD2 -0.01 0.02 -0.09 -0.04 3.22 3.10 2fpiA1 ARG 256 HD3 -0.00 -0.06 -0.01 -0.04 3.22 3.10 2fpiA1 MET 257 H -0.01 0.71 0.15 -0.55 8.47 8.78 2fpiA1 MET 257 HA -0.00 0.06 0.45 -0.75 4.52 4.27 2fpiA1 MET 257 HB2 -0.00 0.03 0.25 -0.04 2.15 2.39 2fpiA1 MET 257 HB3 0.00 -0.08 0.17 -0.04 2.03 2.08 2fpiA1 MET 257 HG2 -0.00 0.22 0.09 -0.04 2.63 2.89 2fpiA1 MET 257 HG3 0.00 -0.13 0.07 -0.04 2.56 2.46 2fpiA1 MET 257 HE3 0.00 -0.02 0.01 -0.04 2.10 2.05 2fpiA1 GLY 258 H -0.00 0.55 0.01 -0.55 8.43 8.44 2fpiA1 GLY 258 HA2 -0.01 0.02 0.25 -0.51 4.01 3.77 2fpiA1 GLY 258 HA3 -0.01 0.12 0.55 -0.51 4.01 4.17 2fpiA1 ALA 260 HA -0.01 -0.02 0.09 -0.75 4.34 3.64 2fpiA1 ALA 260 HB3 -0.01 -0.03 0.11 -0.04 1.41 1.43 2fpiA1 GLY 261 H -0.04 0.67 0.34 -0.55 8.43 8.85 2fpiA1 GLY 261 HA2 -0.07 0.01 0.46 -0.51 4.01 3.90 2fpiA1 GLY 261 HA3 -0.08 0.05 0.18 -0.51 4.01 3.65 2fpiA1 ALA 262 H -0.03 0.15 -0.39 -0.55 8.40 7.59 2fpiA1 ALA 262 HA -0.02 0.34 0.44 -0.75 4.34 4.35 2fpiA1 ALA 262 HB3 -0.01 -0.03 0.07 -0.04 1.41 1.40 2fpiA1 ILE 263 H -0.02 0.48 -0.03 -0.55 8.25 8.12 2fpiA1 ILE 263 HA -0.01 0.23 0.90 -0.75 4.18 4.55 2fpiA1 ILE 263 HB -0.01 0.03 -0.41 -0.04 1.89 1.45 2fpiA1 ILE 263 HG12 -0.01 -0.10 -0.49 -0.04 1.49 0.85 2fpiA1 ILE 263 HG13 -0.01 0.01 -0.25 -0.04 1.21 0.92 2fpiA1 ILE 263 HG23 -0.02 -0.01 -0.16 -0.04 0.93 0.70 2fpiA1 ILE 263 HD13 -0.00 -0.01 -0.40 -0.04 0.88 0.43 2fpiA1 ILE 264 H -0.01 0.21 0.12 -0.55 8.25 8.03 2fpiA1 ILE 264 HA -0.01 0.19 0.76 -0.75 4.18 4.36 2fpiA1 ILE 264 HB -0.01 -0.08 0.18 -0.04 1.89 1.94 2fpiA1 ILE 264 HG12 -0.01 -0.08 -0.47 -0.04 1.49 0.89 2fpiA1 ILE 264 HG13 -0.01 0.00 -0.14 -0.04 1.21 1.02 2fpiA1 ILE 264 HG23 -0.01 -0.02 -0.31 -0.04 0.93 0.55 2fpiA1 ILE 264 HD13 -0.01 0.02 -0.10 -0.04 0.88 0.75 2fpiA1 ALA 265 H -0.01 0.58 0.30 -0.55 8.40 8.73 2fpiA1 ALA 265 HA -0.00 0.11 0.97 -0.75 4.34 4.67 2fpiA1 ALA 265 HB3 -0.00 0.03 -0.03 -0.04 1.41 1.36 2fpiA1 GLY 266 H 0.00 0.19 0.16 -0.55 8.43 8.24 2fpiA1 GLY 266 HA2 0.00 0.06 0.35 -0.51 4.01 3.92 2fpiA1 GLY 266 HA3 0.00 0.09 0.39 -0.51 4.01 3.99 2fpiA1 GLY 267 H -0.00 0.03 -0.36 -0.55 8.43 7.55 2fpiA1 GLY 267 HA2 -0.00 -0.03 0.21 -0.51 4.01 3.68 2fpiA1 GLY 267 HA3 -0.00 0.11 0.38 -0.51 4.01 3.99 2fpiA1 LYS 268 H -0.00 0.78 -0.41 -0.55 8.42 8.23 2fpiA1 LYS 268 HA -0.00 0.15 1.09 -0.75 4.32 4.80 2fpiA1 LYS 268 HB2 -0.00 0.11 0.11 -0.04 1.87 2.05 2fpiA1 LYS 268 HB3 -0.00 -0.06 0.05 -0.04 1.79 1.73 2fpiA1 LYS 268 HG2 -0.00 0.01 -0.06 -0.04 1.46 1.37 2fpiA1 LYS 268 HG3 0.00 0.18 -0.13 -0.04 1.46 1.47 2fpiA1 LYS 268 HD2 0.00 -0.05 -0.01 -0.04 1.69 1.60 2fpiA1 LYS 268 HD3 0.00 -0.02 -0.00 -0.04 1.68 1.62 2fpiA1 LYS 268 HE2 0.00 0.01 0.00 -0.04 2.99 2.96 2fpiA1 LYS 268 HE3 0.00 0.04 0.02 -0.04 2.99 3.01 2fpiA1 GLY 269 H -0.01 0.17 0.18 -0.55 8.43 8.22 2fpiA1 GLY 269 HA2 -0.01 0.24 0.31 -0.51 4.01 4.04 2fpiA1 GLY 269 HA3 -0.01 0.16 0.94 -0.51 4.01 4.59 2fpiA1 GLY 270 H -0.01 0.09 -0.02 -0.55 8.43 7.94 2fpiA1 GLY 270 HA2 -0.02 0.13 0.44 -0.51 4.01 4.05 2fpiA1 GLY 270 HA3 -0.02 0.04 0.27 -0.51 4.01 3.80 2fpiA1 ALA 271 H -0.03 0.25 0.09 -0.55 8.40 8.16 2fpiA1 ALA 271 HA -0.05 0.15 0.24 -0.75 4.34 3.92 2fpiA1 ALA 271 HB3 -0.07 0.05 -0.23 -0.04 1.41 1.12 2fpiA1 LYS 272 H -0.03 0.15 -0.07 -0.55 8.42 7.91 2fpiA1 LYS 272 HA -0.04 0.10 0.35 -0.75 4.32 3.97 2fpiA1 LYS 272 HB2 -0.02 0.03 0.12 -0.04 1.87 1.96 2fpiA1 LYS 272 HB3 -0.02 -0.01 0.04 -0.04 1.79 1.76 2fpiA1 LYS 272 HG2 -0.02 0.02 0.04 -0.04 1.46 1.46 2fpiA1 LYS 272 HG3 -0.01 0.05 0.01 -0.04 1.46 1.46 2fpiA1 LYS 272 HD2 -0.01 0.01 -0.13 -0.04 1.69 1.52 2fpiA1 LYS 272 HD3 -0.02 -0.06 -0.20 -0.04 1.68 1.36 2fpiA1 LYS 272 HE2 -0.01 0.03 -0.03 -0.04 2.99 2.94 2fpiA1 LYS 272 HE3 -0.01 0.02 -0.04 -0.04 2.99 2.92 2fpiA1 GLU 273 H -0.02 0.12 -0.29 -0.55 8.60 7.86 2fpiA1 GLU 273 HA -0.02 0.10 0.37 -0.75 4.29 3.99 2fpiA1 GLU 273 HB2 -0.02 0.06 -0.01 -0.04 2.09 2.08 2fpiA1 GLU 273 HB3 -0.01 0.05 0.05 -0.04 1.99 2.03 2fpiA1 GLU 273 HG2 -0.01 0.07 0.02 -0.04 2.34 2.39 2fpiA1 GLU 273 HG3 -0.01 -0.00 -0.02 -0.04 2.34 2.26 2fpiA1 LYS 274 H -0.04 0.29 -0.39 -0.55 8.42 7.73 2fpiA1 LYS 274 HA -0.04 0.01 0.40 -0.75 4.32 3.94 2fpiA1 LYS 274 HB2 -0.06 0.18 0.09 -0.04 1.87 2.04 2fpiA1 LYS 274 HB3 -0.07 -0.06 -0.11 -0.04 1.79 1.50 2fpiA1 LYS 274 HG2 -0.02 -0.14 -0.06 -0.04 1.46 1.19 2fpiA1 LYS 274 HG3 -0.03 0.13 -0.08 -0.04 1.46 1.45 2fpiA1 LYS 274 HD2 -0.03 0.04 -0.22 -0.04 1.69 1.44 2fpiA1 LYS 274 HD3 -0.04 -0.10 -0.08 -0.04 1.68 1.42 2fpiA1 LYS 274 HE2 0.02 0.29 -0.05 -0.04 2.99 3.20 2fpiA1 LYS 274 HE3 0.01 -0.37 -0.08 -0.04 2.99 2.51 2fpiA1 ILE 275 H -0.06 0.55 -0.08 -0.55 8.25 8.11 2fpiA1 ILE 275 HA -0.07 0.04 0.36 -0.75 4.18 3.75 2fpiA1 ILE 275 HB -0.06 0.06 0.10 -0.04 1.89 1.95 2fpiA1 ILE 275 HG12 -0.15 -0.01 -0.08 -0.04 1.49 1.22 2fpiA1 ILE 275 HG13 -0.11 0.04 -0.06 -0.04 1.21 1.04 2fpiA1 ILE 275 HG23 -0.05 0.01 -0.15 -0.04 0.93 0.69 2fpiA1 ILE 275 HD13 -0.12 -0.02 -0.15 -0.04 0.88 0.54 2fpiA1 THR 276 H -0.03 0.50 -0.13 -0.55 8.28 8.07 2fpiA1 THR 276 HA -0.02 0.05 0.39 -0.75 4.39 4.06 2fpiA1 THR 276 HB -0.02 0.04 0.12 -0.04 4.32 4.42 2fpiA1 THR 276 HG23 -0.01 0.00 -0.12 -0.04 1.22 1.05 2fpiA1 ALA 277 H -0.03 0.33 -0.39 -0.55 8.40 7.77 2fpiA1 ALA 277 HA -0.01 0.08 0.47 -0.75 4.34 4.12 2fpiA1 ALA 277 HB3 -0.01 0.01 0.08 -0.04 1.41 1.45 2fpiA1 LEU 278 H -0.04 0.47 -0.05 -0.55 8.37 8.20 2fpiA1 LEU 278 HA -0.02 0.01 0.35 -0.75 4.35 3.94 2fpiA1 LEU 278 HB2 -0.05 0.07 0.02 -0.04 1.64 1.63 2fpiA1 LEU 278 HB3 -0.04 0.00 -0.09 -0.04 1.64 1.47 2fpiA1 LEU 278 HG -0.06 -0.02 0.02 -0.04 1.64 1.54 2fpiA1 LEU 278 HD13 -0.12 -0.02 -0.15 -0.04 0.93 0.60 2fpiA1 LEU 278 HD23 -0.09 -0.01 -0.07 -0.04 0.89 0.68 2fpiA1 GLN 279 H -0.02 0.44 -0.31 -0.55 8.47 8.03 2fpiA1 GLN 279 HA -0.01 0.31 0.42 -0.75 4.36 4.33 2fpiA1 GLN 279 HB2 -0.01 0.02 0.12 -0.04 2.15 2.24 2fpiA1 GLN 279 HB3 -0.01 -0.04 -0.01 -0.04 2.02 1.91 2fpiA1 GLN 279 HG2 -0.01 0.04 0.08 -0.04 2.40 2.48 2fpiA1 GLN 279 HG3 -0.02 0.10 0.06 -0.04 2.39 2.48 2fpiA1 GLN 279 HE21 -0.01 -0.06 -0.02 -0.04 6.97 6.85 2fpiA1 GLN 279 HE22 -0.00 -0.03 0.04 -0.04 7.69 7.65 2fpiA1 SER 280 H -0.01 0.45 -0.17 -0.55 8.46 8.18 2fpiA1 SER 280 HA -0.00 -0.04 0.36 -0.75 4.49 4.06 2fpiA1 SER 280 HB2 -0.00 -0.10 0.13 -0.04 3.95 3.93 2fpiA1 SER 280 HB3 -0.01 0.07 0.20 -0.04 3.93 4.15 2fpiA1 ALA 281 H -0.00 0.29 -0.62 -0.55 8.40 7.52 2fpiA1 ALA 281 HA 0.00 0.14 0.82 -0.75 4.34 4.54 2fpiA1 ALA 281 HB3 0.01 -0.03 0.13 -0.04 1.41 1.48 2fpiA1 GLY 282 H 0.00 0.64 -0.25 -0.55 8.43 8.27 2fpiA1 GLY 282 HA2 0.00 -0.06 0.31 -0.51 4.01 3.75 2fpiA1 GLY 282 HA3 0.01 0.16 0.60 -0.51 4.01 4.27 2fpiA1 VAL 283 H 0.00 0.28 -0.38 -0.55 8.24 7.60 2fpiA1 VAL 283 HA 0.01 0.16 0.47 -0.75 4.13 4.02 2fpiA1 VAL 283 HB -0.01 -0.05 -0.33 -0.04 2.12 1.69 2fpiA1 VAL 283 HG13 -0.01 -0.04 -0.42 -0.04 0.97 0.45 2fpiA1 VAL 283 HG23 0.00 -0.00 -0.12 -0.04 0.95 0.79 2fpiA1 VAL 284 H 0.02 0.52 0.37 -0.55 8.24 8.60 2fpiA1 VAL 284 HA 0.01 0.06 0.65 -0.75 4.13 4.11 2fpiA1 VAL 284 HB 0.03 -0.07 0.15 -0.04 2.12 2.19 2fpiA1 VAL 284 HG13 0.03 -0.02 -0.11 -0.04 0.97 0.82 2fpiA1 VAL 284 HG23 0.02 0.04 0.08 -0.04 0.95 1.05 2fpiA1 VAL 285 H 0.01 0.20 0.10 -0.55 8.24 7.99 2fpiA1 VAL 285 HA 0.02 0.13 1.01 -0.75 4.13 4.53 2fpiA1 VAL 285 HB -0.01 -0.02 0.10 -0.04 2.12 2.14 2fpiA1 VAL 285 HG13 -0.04 -0.01 -0.31 -0.04 0.97 0.57 2fpiA1 VAL 285 HG23 -0.04 0.01 -0.19 -0.04 0.95 0.70 2fpiA1 SER 286 H 0.08 0.34 0.23 -0.55 8.46 8.57 2fpiA1 SER 286 HA 0.07 -0.01 0.42 -0.75 4.49 4.22 2fpiA1 SER 286 HB2 0.08 0.02 -0.03 -0.04 3.95 3.99 2fpiA1 SER 286 HB3 0.20 0.00 -0.06 -0.04 3.93 4.03 2fpiA1 MET 287 H 0.08 0.08 0.20 -0.55 8.47 8.28 2fpiA1 MET 287 HA 0.12 0.13 0.56 -0.75 4.52 4.59 2fpiA1 MET 287 HB2 0.06 -0.07 0.16 -0.04 2.15 2.26 2fpiA1 MET 287 HB3 0.06 -0.01 0.05 -0.04 2.03 2.09 2fpiA1 MET 287 HG2 0.04 0.03 0.10 -0.04 2.63 2.76 2fpiA1 MET 287 HG3 0.03 -0.01 0.04 -0.04 2.56 2.58 2fpiA1 MET 287 HE3 0.01 -0.00 0.00 -0.04 2.10 2.07 2fpiA1 SER 288 H 0.07 0.05 0.05 -0.55 8.46 8.08 2fpiA1 SER 288 HA 0.02 0.24 0.71 -0.75 4.49 4.70 2fpiA1 SER 288 HB2 -0.00 0.11 0.06 -0.04 3.95 4.08 2fpiA1 SER 288 HB3 -0.00 0.01 0.12 -0.04 3.93 4.01 2fpiA1 PRO 289 HA -0.82 0.14 0.42 -0.51 4.44 3.67 2fpiA1 PRO 289 HB2 -0.54 0.03 0.02 -0.04 2.28 1.74 2fpiA1 PRO 289 HB3 -1.96 0.03 0.04 -0.04 2.02 0.09 2fpiA1 PRO 289 HG2 -0.27 0.05 -0.04 -0.04 2.03 1.72 2fpiA1 PRO 289 HG3 -0.32 0.04 0.04 -0.04 2.03 1.75 2fpiA1 PRO 289 HD2 -0.16 0.08 0.23 -0.04 3.68 3.79 2fpiA1 PRO 289 HD3 -0.33 0.23 0.18 -0.04 3.65 3.68 2fpiA1 ALA 290 H -0.16 0.04 -0.45 -0.55 8.40 7.29 2fpiA1 ALA 290 HA -0.09 0.17 0.53 -0.75 4.34 4.20 2fpiA1 ALA 290 HB3 -0.06 0.02 0.01 -0.04 1.41 1.35 2fpiA1 GLN 291 H -0.07 0.31 -0.48 -0.55 8.47 7.68 2fpiA1 GLN 291 HA -0.03 0.20 0.89 -0.75 4.36 4.67 2fpiA1 GLN 291 HB2 0.00 0.03 0.10 -0.04 2.15 2.24 2fpiA1 GLN 291 HB3 0.00 -0.02 0.16 -0.04 2.02 2.13 2fpiA1 GLN 291 HG2 -0.02 -0.10 -0.08 -0.04 2.40 2.16 2fpiA1 GLN 291 HG3 0.00 0.05 -0.01 -0.04 2.39 2.39 2fpiA1 GLN 291 HE21 -0.02 0.08 -0.09 -0.04 6.97 6.89 2fpiA1 GLN 291 HE22 -0.02 -0.05 -0.11 -0.04 7.69 7.48 2fpiA1 LEU 292 H -0.04 0.29 -0.30 -0.55 8.37 7.78 2fpiA1 LEU 292 HA 0.02 0.13 0.50 -0.75 4.35 4.24 2fpiA1 LEU 292 HB2 -0.02 0.03 -0.02 -0.04 1.64 1.59 2fpiA1 LEU 292 HB3 0.01 0.06 -0.08 -0.04 1.64 1.58 2fpiA1 LEU 292 HG -0.02 -0.04 -0.14 -0.04 1.64 1.39 2fpiA1 LEU 292 HD13 -0.01 0.01 -0.05 -0.04 0.93 0.84 2fpiA1 LEU 292 HD23 0.12 0.01 -0.22 -0.04 0.89 0.75 2fpiA1 GLY 293 H -0.03 0.10 -0.17 -0.55 8.43 7.78 2fpiA1 GLY 293 HA2 -0.04 0.14 0.32 -0.51 4.01 3.93 2fpiA1 GLY 293 HA3 -0.05 0.27 0.08 -0.51 4.01 3.80 2fpiA1 THR 294 H -0.02 0.04 -0.17 -0.55 8.28 7.57 2fpiA1 THR 294 HA 0.02 0.15 0.38 -0.75 4.39 4.18 2fpiA1 THR 294 HB 0.01 0.04 0.01 -0.04 4.32 4.33 2fpiA1 THR 294 HG23 -0.06 0.02 0.01 -0.04 1.22 1.16 2fpiA1 THR 295 H 0.02 0.33 -0.38 -0.55 8.28 7.70 2fpiA1 THR 295 HA 0.04 0.04 0.39 -0.75 4.39 4.11 2fpiA1 THR 295 HB 0.03 0.07 0.18 -0.04 4.32 4.56 2fpiA1 THR 295 HG23 0.04 -0.00 -0.20 -0.04 1.22 1.01 2fpiA1 ILE 296 H 0.01 0.54 -0.17 -0.55 8.25 8.09 2fpiA1 ILE 296 HA 0.04 0.07 0.45 -0.75 4.18 3.98 2fpiA1 ILE 296 HB -0.02 -0.03 0.05 -0.04 1.89 1.85 2fpiA1 ILE 296 HG12 -0.25 0.01 -0.04 -0.04 1.49 1.17 2fpiA1 ILE 296 HG13 0.08 -0.02 0.03 -0.04 1.21 1.25 2fpiA1 ILE 296 HG23 -0.14 0.03 -0.12 -0.04 0.93 0.66 2fpiA1 ILE 296 HD13 -0.01 0.01 -0.13 -0.04 0.88 0.71 2fpiA1 TYR 297 H 0.09 0.30 -0.52 -0.55 8.29 7.61 2fpiA1 TYR 297 HA -0.13 0.07 0.40 -0.75 4.56 4.14 2fpiA1 TYR 297 HB2 -0.08 0.18 0.12 -0.04 3.06 3.25 2fpiA1 TYR 297 HB3 -0.03 0.03 0.17 -0.04 2.98 3.11 2fpiA1 TYR 297 HD2 -0.05 -0.00 -0.08 -0.04 7.15 6.98 2fpiA1 TYR 297 HE2 -0.01 0.05 -0.01 -0.04 6.85 6.84 2fpiA1 LYS 298 H 0.13 0.52 -0.07 -0.55 8.42 8.44 2fpiA1 LYS 298 HA 0.05 -0.00 0.37 -0.75 4.32 3.99 2fpiA1 LYS 298 HB2 0.06 0.15 0.15 -0.04 1.87 2.19 2fpiA1 LYS 298 HB3 0.05 -0.04 -0.01 -0.04 1.79 1.75 2fpiA1 LYS 298 HG2 0.10 -0.04 0.04 -0.04 1.46 1.52 2fpiA1 LYS 298 HG3 0.13 0.15 0.11 -0.04 1.46 1.80 2fpiA1 LYS 298 HD2 0.05 -0.01 -0.01 -0.04 1.69 1.68 2fpiA1 LYS 298 HD3 0.05 -0.02 -0.01 -0.04 1.68 1.66 2fpiA1 LYS 298 HE2 0.04 -0.01 -0.02 -0.04 2.99 2.96 2fpiA1 LYS 298 HE3 0.06 0.02 -0.03 -0.04 2.99 2.99 2fpiA1 GLU 299 H 0.06 0.35 -0.34 -0.55 8.60 8.13 2fpiA1 GLU 299 HA 0.05 0.01 0.42 -0.75 4.29 4.01 2fpiA1 GLU 299 HB2 0.15 0.12 0.14 -0.04 2.09 2.46 2fpiA1 GLU 299 HB3 0.11 0.03 0.01 -0.04 1.99 2.10 2fpiA1 GLU 299 HG2 0.06 0.17 0.05 -0.04 2.34 2.58 2fpiA1 GLU 299 HG3 0.06 -0.03 -0.03 -0.04 2.34 2.31 2fpiA1 PHE 300 H 0.25 0.51 -0.17 -0.55 8.34 8.38 2fpiA1 PHE 300 HA -0.07 0.09 0.37 -0.75 4.62 4.26 2fpiA1 PHE 300 HB2 -0.23 0.17 0.17 -0.04 3.15 3.22 2fpiA1 PHE 300 HB3 -0.18 -0.11 -0.15 -0.04 3.06 2.58 2fpiA1 PHE 300 HD2 -0.07 -0.03 -0.11 -0.04 7.28 7.03 2fpiA1 PHE 300 HE2 -0.03 0.00 -0.07 -0.04 7.38 7.25 2fpiA1 PHE 300 HZ -0.02 -0.08 -0.29 -0.04 7.32 6.88 2fpiA1 GLU 301 H -0.07 0.51 -0.15 -0.55 8.60 8.34 2fpiA1 GLU 301 HA -0.06 -0.06 0.38 -0.75 4.29 3.79 2fpiA1 GLU 301 HB2 -0.19 0.05 0.07 -0.04 2.09 1.97 2fpiA1 GLU 301 HB3 -0.03 0.10 0.13 -0.04 1.99 2.15 2fpiA1 GLU 301 HG2 0.00 0.02 -0.11 -0.04 2.34 2.21 2fpiA1 GLU 301 HG3 -0.01 -0.03 0.04 -0.04 2.34 2.28 2fpiA1 LYS 302 H 0.00 0.67 -0.10 -0.55 8.42 8.43 2fpiA1 LYS 302 HA -0.00 -0.02 0.51 -0.75 4.32 4.06 2fpiA1 LYS 302 HB2 0.00 0.13 0.21 -0.04 1.87 2.18 2fpiA1 LYS 302 HB3 -0.00 -0.05 0.05 -0.04 1.79 1.75 2fpiA1 LYS 302 HG2 0.01 -0.09 0.05 -0.04 1.46 1.39 2fpiA1 LYS 302 HG3 0.02 0.29 0.09 -0.04 1.46 1.81 2fpiA1 LYS 302 HD2 0.01 -0.02 0.01 -0.04 1.69 1.64 2fpiA1 LYS 302 HD3 0.02 -0.09 -0.03 -0.04 1.68 1.54 2fpiA1 LYS 302 HE2 0.03 -0.04 -0.21 -0.04 2.99 2.73 2fpiA1 LYS 302 HE3 0.02 0.10 0.04 -0.04 2.99 3.11 2fpiA1 ARG 303 H -0.03 0.49 -0.05 -0.55 8.46 8.31 2fpiA1 ARG 303 HA -0.05 0.03 0.46 -0.75 4.34 4.02 2fpiA1 ARG 303 HB2 -0.13 0.06 0.13 -0.04 1.90 1.92 2fpiA1 ARG 303 HB3 -0.11 0.01 0.13 -0.04 1.80 1.79 2fpiA1 ARG 303 HG2 -0.05 -0.01 0.04 -0.04 1.67 1.61 2fpiA1 ARG 303 HG3 -0.04 -0.10 0.03 -0.04 1.67 1.52 2fpiA1 ARG 303 HD2 -0.12 0.03 0.03 -0.04 3.22 3.11 2fpiA1 ARG 303 HD3 -0.06 0.08 0.01 -0.04 3.22 3.22 2fpiA1 LYS 304 H -0.04 0.13 -1.18 -0.55 8.42 6.77 2fpiA1 LYS 304 HA -0.03 -0.05 0.31 -0.75 4.32 3.79 2fpiA1 LYS 304 HB2 -0.04 0.15 0.00 -0.04 1.87 1.95 2fpiA1 LYS 304 HB3 -0.02 -0.12 0.18 -0.04 1.79 1.78 2fpiA1 LYS 304 HG2 -0.02 0.06 0.06 -0.04 1.46 1.53 2fpiA1 LYS 304 HG3 -0.02 0.17 -0.18 -0.04 1.46 1.38 2fpiA1 LYS 304 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.60 2fpiA1 LYS 304 HD3 -0.01 -0.08 0.03 -0.04 1.68 1.58 2fpiA1 LYS 304 HE2 -0.01 -0.04 0.04 -0.04 2.99 2.94 2fpiA1 LYS 304 HE3 -0.01 0.06 0.04 -0.04 2.99 3.04 2fpiA1 MET 305 H -0.10 0.74 -0.08 -0.55 8.47 8.48 2fpiA1 MET 305 HA -0.10 0.21 0.70 -0.75 4.52 4.59 2fpiA1 MET 305 HB2 -0.51 -0.11 0.02 -0.04 2.15 1.50 2fpiA1 MET 305 HB3 -0.39 -0.01 0.11 -0.04 2.03 1.70 2fpiA1 MET 305 HG2 -0.24 0.02 -0.02 -0.04 2.63 2.34 2fpiA1 MET 305 HG3 -0.20 0.07 -0.29 -0.04 2.56 2.10 2fpiA1 MET 305 HE3 -0.75 0.05 0.04 -0.04 2.10 1.39 2fpiA1 LEU 306 H -0.02 0.00 -0.40 -0.55 8.37 7.41 2fpiA1 LEU 306 HA 0.08 0.11 0.12 -0.75 4.35 3.91 2fpiA1 LEU 306 HB2 -0.01 0.02 -0.05 -0.04 1.64 1.55 2fpiA1 LEU 306 HB3 0.00 0.01 -0.00 -0.04 1.64 1.61 2fpiA1 LEU 306 HG -0.11 -0.05 -0.23 -0.04 1.64 1.21 2fpiA1 LEU 306 HD13 -0.15 -0.00 -0.02 -0.04 0.93 0.72 2fpiA1 LEU 306 HD23 -0.35 0.03 -0.06 -0.04 0.89 0.47