============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 28 rings ring int. center anis. iso. PHE 8 1.000 24.732 93.962 -2.949 -99.200 -91.000 HIS 47 0.900 43.866 80.565 25.579 -99.200 -91.000 TYR 49 0.840 45.384 90.521 30.208 -99.200 -91.000 PHE 71 1.000 45.923 82.500 -6.009 -99.200 -91.000 TYR 95 0.840 39.393 94.282 -10.070 -99.200 -91.000 PHE 99 1.000 45.178 97.253 2.906 -99.200 -91.000 PHE 118 1.000 36.292 98.073 1.516 -99.200 -91.000 TYR 121 0.840 42.086 103.760 -7.163 -99.200 -91.000 TYR 146 0.840 31.983 103.511 6.296 -99.200 -91.000 TYR 149 0.840 36.327 96.594 12.495 -99.200 -91.000 PHE 166 1.000 25.783 94.416 2.165 -99.200 -91.000 PHE 175 1.000 30.167 91.753 7.350 -99.200 -91.000 TYR 191 0.840 29.716 122.526 15.045 -99.200 -91.000 TYR 197 0.840 44.010 120.401 15.558 -99.200 -91.000 PHE 201 1.000 39.583 125.017 13.124 -99.200 -91.000 TYR 208 0.840 29.685 125.359 8.134 -99.200 -91.000 PHE 214 1.000 27.310 132.534 19.567 -99.200 -91.000 TYR 222 0.840 23.696 122.880 11.433 -99.200 -91.000 TYR 226 0.840 36.974 115.574 15.631 -99.200 -91.000 HIS 235 0.900 27.683 104.161 9.760 -99.200 -91.000 TYR 240 0.840 20.679 112.760 13.663 -99.200 -91.000 PHE 244 1.000 35.342 114.104 9.539 -99.200 -91.000 TYR 246 0.840 41.978 116.599 10.725 -99.200 -91.000 TYR 261 0.840 46.418 105.236 3.000 -99.200 -91.000 TYR 268 0.840 32.976 105.206 -5.609 -99.200 -91.000 HIS 293 0.900 52.060 105.824 2.375 -99.200 -91.000 TYR 313 0.840 37.042 126.986 2.551 -99.200 -91.000 HIS 316 0.900 35.885 134.666 4.452 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1fpiA1 ASN 9 HA 0.02 -0.10 0.23 -0.75 4.76 4.15 1fpiA1 ASN 9 HB2 0.02 -0.01 0.04 -0.04 2.88 2.89 1fpiA1 ASN 9 HB3 0.02 -0.00 0.05 -0.04 2.79 2.82 1fpiA1 ASN 9 HD21 0.04 -0.03 -0.19 -0.04 7.03 6.81 1fpiA1 ASN 9 HD22 0.03 0.01 -0.24 -0.04 7.74 7.49 1fpiA1 ILE 10 H 0.03 0.22 0.12 -0.55 8.25 8.08 1fpiA1 ILE 10 HA 0.04 0.16 0.73 -0.75 4.18 4.35 1fpiA1 ILE 10 HB 0.03 0.12 -0.14 -0.04 1.89 1.85 1fpiA1 ILE 10 HG12 0.05 -0.05 -0.29 -0.04 1.49 1.16 1fpiA1 ILE 10 HG13 0.04 0.05 0.06 -0.04 1.21 1.31 1fpiA1 ILE 10 HG23 0.03 -0.02 -0.05 -0.04 0.93 0.85 1fpiA1 ILE 10 HD13 0.03 -0.01 -0.07 -0.04 0.88 0.79 1fpiA1 VAL 11 H 0.07 0.25 0.16 -0.55 8.24 8.16 1fpiA1 VAL 11 HA 0.10 0.16 1.05 -0.75 4.13 4.69 1fpiA1 VAL 11 HB 0.13 -0.01 0.15 -0.04 2.12 2.35 1fpiA1 VAL 11 HG13 0.26 0.02 -0.04 -0.04 0.97 1.17 1fpiA1 VAL 11 HG23 0.09 0.03 -0.09 -0.04 0.95 0.94 1fpiA1 THR 12 H 0.11 0.13 0.20 -0.55 8.28 8.17 1fpiA1 THR 12 HA 0.13 0.44 0.96 -0.75 4.39 5.17 1fpiA1 THR 12 HB 0.06 -0.06 0.18 -0.04 4.32 4.46 1fpiA1 THR 12 HG23 0.05 0.06 -0.10 -0.04 1.22 1.19 1fpiA1 LEU 13 H 0.04 0.40 0.26 -0.55 8.37 8.53 1fpiA1 LEU 13 HA -0.42 0.11 0.43 -0.75 4.35 3.71 1fpiA1 LEU 13 HB2 -0.49 0.05 0.06 -0.04 1.64 1.22 1fpiA1 LEU 13 HB3 -0.11 -0.03 0.12 -0.04 1.64 1.58 1fpiA1 LEU 13 HG -0.29 -0.02 -0.18 -0.04 1.64 1.11 1fpiA1 LEU 13 HD13 -1.29 0.01 -0.04 -0.04 0.93 -0.44 1fpiA1 LEU 13 HD23 -0.44 0.02 -0.06 -0.04 0.89 0.36 1fpiA1 THR 14 H 0.01 0.10 -0.07 -0.55 8.28 7.77 1fpiA1 THR 14 HA -0.01 0.11 0.34 -0.75 4.39 4.07 1fpiA1 THR 14 HB 0.02 -0.02 0.02 -0.04 4.32 4.29 1fpiA1 THR 14 HG23 0.00 0.03 -0.07 -0.04 1.22 1.14 1fpiA1 ARG 15 H 0.06 0.01 -0.29 -0.55 8.46 7.69 1fpiA1 ARG 15 HA 0.03 0.12 0.49 -0.75 4.34 4.22 1fpiA1 ARG 15 HB2 0.05 0.02 0.12 -0.04 1.90 2.06 1fpiA1 ARG 15 HB3 0.10 -0.05 0.19 -0.04 1.80 2.00 1fpiA1 ARG 15 HG2 0.06 0.01 -0.26 -0.04 1.67 1.44 1fpiA1 ARG 15 HG3 0.04 0.03 0.03 -0.04 1.67 1.72 1fpiA1 ARG 15 HD2 0.05 0.05 0.05 -0.04 3.22 3.33 1fpiA1 ARG 15 HD3 0.08 -0.08 0.11 -0.04 3.22 3.29 1fpiA1 PHE 16 H 0.22 0.56 -0.07 -0.55 8.34 8.51 1fpiA1 PHE 16 HA 0.05 0.03 0.36 -0.75 4.62 4.30 1fpiA1 PHE 16 HB2 0.18 0.02 0.05 -0.04 3.15 3.36 1fpiA1 PHE 16 HB3 -0.01 0.05 0.14 -0.04 3.06 3.20 1fpiA1 PHE 16 HD2 0.07 0.01 -0.14 -0.04 7.28 7.17 1fpiA1 PHE 16 HE2 0.10 0.01 -0.11 -0.04 7.38 7.34 1fpiA1 PHE 16 HZ 0.10 0.03 -0.11 -0.04 7.32 7.29 1fpiA1 VAL 17 H 0.14 0.69 -0.11 -0.55 8.24 8.42 1fpiA1 VAL 17 HA -0.02 0.02 0.37 -0.75 4.13 3.75 1fpiA1 VAL 17 HB -0.01 0.07 0.06 -0.04 2.12 2.20 1fpiA1 VAL 17 HG13 -0.03 -0.01 -0.12 -0.04 0.97 0.76 1fpiA1 VAL 17 HG23 0.01 0.06 -0.03 -0.04 0.95 0.95 1fpiA1 MET 18 H -0.01 0.43 -0.24 -0.55 8.47 8.10 1fpiA1 MET 18 HA -0.03 -0.03 0.41 -0.75 4.52 4.11 1fpiA1 MET 18 HB2 -0.01 0.11 0.16 -0.04 2.15 2.36 1fpiA1 MET 18 HB3 -0.01 0.11 0.14 -0.04 2.03 2.23 1fpiA1 MET 18 HG2 -0.01 0.01 -0.02 -0.04 2.63 2.57 1fpiA1 MET 18 HG3 -0.02 -0.02 -0.14 -0.04 2.56 2.34 1fpiA1 MET 18 HE3 -0.01 0.00 -0.02 -0.04 2.10 2.03 1fpiA1 GLU 19 H -0.06 0.62 -0.05 -0.55 8.60 8.56 1fpiA1 GLU 19 HA -0.05 0.05 0.59 -0.75 4.29 4.12 1fpiA1 GLU 19 HB2 -0.10 0.09 0.13 -0.04 2.09 2.17 1fpiA1 GLU 19 HB3 -0.08 -0.02 0.02 -0.04 1.99 1.87 1fpiA1 GLU 19 HG2 -0.02 -0.01 0.04 -0.04 2.34 2.31 1fpiA1 GLU 19 HG3 -0.02 0.01 0.04 -0.04 2.34 2.33 1fpiA1 GLN 20 H -0.23 0.52 -0.20 -0.55 8.47 8.01 1fpiA1 GLN 20 HA -0.16 0.05 0.43 -0.75 4.36 3.92 1fpiA1 GLN 20 HB2 -0.28 0.12 0.13 -0.04 2.15 2.07 1fpiA1 GLN 20 HB3 -0.17 -0.06 -0.03 -0.04 2.02 1.72 1fpiA1 GLN 20 HG2 -0.96 0.13 0.02 -0.04 2.40 1.55 1fpiA1 GLN 20 HG3 -0.88 -0.06 -0.06 -0.04 2.39 1.35 1fpiA1 GLN 20 HE21 -0.12 0.02 -0.05 -0.04 6.97 6.78 1fpiA1 GLN 20 HE22 -0.39 -0.01 -0.07 -0.04 7.69 7.18 1fpiA1 GLY 21 H -0.08 0.46 -0.17 -0.55 8.43 8.09 1fpiA1 GLY 21 HA2 -0.03 0.02 0.55 -0.51 4.01 4.04 1fpiA1 GLY 21 HA3 -0.03 -0.00 0.30 -0.51 4.01 3.76 1fpiA1 ARG 22 H -0.05 0.44 -0.22 -0.55 8.46 8.08 1fpiA1 ARG 22 HA -0.02 0.04 0.45 -0.75 4.34 4.06 1fpiA1 ARG 22 HB2 -0.03 0.11 0.26 -0.04 1.90 2.19 1fpiA1 ARG 22 HB3 -0.02 0.00 -0.02 -0.04 1.80 1.72 1fpiA1 ARG 22 HG2 -0.01 -0.02 0.03 -0.04 1.67 1.63 1fpiA1 ARG 22 HG3 -0.02 -0.04 0.02 -0.04 1.67 1.60 1fpiA1 ARG 22 HD2 -0.01 -0.04 -0.02 -0.04 3.22 3.10 1fpiA1 ARG 22 HD3 -0.02 0.16 -0.07 -0.04 3.22 3.24 1fpiA1 LYS 23 H -0.05 0.51 -0.04 -0.55 8.42 8.29 1fpiA1 LYS 23 HA -0.02 0.04 0.45 -0.75 4.32 4.04 1fpiA1 LYS 23 HB2 -0.05 0.04 0.09 -0.04 1.87 1.91 1fpiA1 LYS 23 HB3 -0.02 -0.02 0.03 -0.04 1.79 1.73 1fpiA1 LYS 23 HG2 -0.03 -0.05 0.05 -0.04 1.46 1.40 1fpiA1 LYS 23 HG3 -0.06 0.31 0.12 -0.04 1.46 1.80 1fpiA1 LYS 23 HD2 -0.06 -0.02 -0.02 -0.04 1.69 1.55 1fpiA1 LYS 23 HD3 -0.03 -0.01 -0.00 -0.04 1.68 1.59 1fpiA1 LYS 23 HE2 -0.08 -0.02 -0.12 -0.04 2.99 2.73 1fpiA1 LYS 23 HE3 -0.05 -0.02 -0.05 -0.04 2.99 2.82 1fpiA1 ALA 24 H -0.02 0.23 -0.50 -0.55 8.40 7.55 1fpiA1 ALA 24 HA -0.00 0.13 0.60 -0.75 4.34 4.32 1fpiA1 ALA 24 HB3 -0.00 -0.02 0.12 -0.04 1.41 1.47 1fpiA1 ARG 25 H -0.01 0.36 -0.58 -0.55 8.46 7.68 1fpiA1 ARG 25 HA -0.00 0.06 0.34 -0.75 4.34 3.98 1fpiA1 ARG 25 HB2 0.01 0.03 0.10 -0.04 1.90 2.00 1fpiA1 ARG 25 HB3 0.00 -0.06 0.15 -0.04 1.80 1.85 1fpiA1 ARG 25 HG2 -0.00 0.11 -0.02 -0.04 1.67 1.72 1fpiA1 ARG 25 HG3 0.00 0.04 -0.28 -0.04 1.67 1.39 1fpiA1 ARG 25 HD2 0.00 -0.01 -0.01 -0.04 3.22 3.15 1fpiA1 ARG 25 HD3 0.00 -0.04 0.00 -0.04 3.22 3.14 1fpiA1 GLY 26 H 0.00 0.36 -0.13 -0.55 8.43 8.12 1fpiA1 GLY 26 HA2 0.03 0.16 0.57 -0.51 4.01 4.26 1fpiA1 GLY 26 HA3 0.02 -0.15 0.32 -0.51 4.01 3.70 1fpiA1 THR 27 H 0.04 0.10 0.22 -0.55 8.28 8.08 1fpiA1 THR 27 HA 0.01 0.23 0.51 -0.75 4.39 4.39 1fpiA1 THR 27 HB 0.02 0.08 0.13 -0.04 4.32 4.51 1fpiA1 THR 27 HG23 0.01 0.03 0.09 -0.04 1.22 1.31 1fpiA1 GLY 28 H 0.03 -0.08 -0.19 -0.55 8.43 7.65 1fpiA1 GLY 28 HA2 0.01 -0.02 0.22 -0.51 4.01 3.71 1fpiA1 GLY 28 HA3 0.01 0.33 0.72 -0.51 4.01 4.55 1fpiA1 GLU 29 H 0.06 0.02 0.01 -0.55 8.60 8.15 1fpiA1 GLU 29 HA 0.07 0.27 0.48 -0.75 4.29 4.35 1fpiA1 GLU 29 HB2 0.08 0.09 0.09 -0.04 2.09 2.31 1fpiA1 GLU 29 HB3 0.18 -0.07 0.13 -0.04 1.99 2.19 1fpiA1 GLU 29 HG2 0.28 -0.04 -0.05 -0.04 2.34 2.48 1fpiA1 GLU 29 HG3 0.13 0.14 0.10 -0.04 2.34 2.66 1fpiA1 MET 30 H 0.10 0.05 0.01 -0.55 8.47 8.08 1fpiA1 MET 30 HA -0.16 0.18 0.53 -0.75 4.52 4.31 1fpiA1 MET 30 HB2 0.00 0.04 0.08 -0.04 2.15 2.24 1fpiA1 MET 30 HB3 -0.05 0.02 -0.03 -0.04 2.03 1.93 1fpiA1 MET 30 HG2 -0.26 -0.07 0.01 -0.04 2.63 2.27 1fpiA1 MET 30 HG3 -0.82 0.04 0.01 -0.04 2.56 1.75 1fpiA1 MET 30 HE3 -0.18 0.01 -0.12 -0.04 2.10 1.77 1fpiA1 THR 31 H -0.01 0.03 -0.41 -0.55 8.28 7.34 1fpiA1 THR 31 HA -0.05 0.08 0.43 -0.75 4.39 4.11 1fpiA1 THR 31 HB -0.01 0.11 0.03 -0.04 4.32 4.40 1fpiA1 THR 31 HG23 -0.02 0.01 -0.17 -0.04 1.22 0.99 1fpiA1 GLN 32 H -0.00 0.33 -0.31 -0.55 8.47 7.94 1fpiA1 GLN 32 HA -0.01 0.04 0.33 -0.75 4.36 3.96 1fpiA1 GLN 32 HB2 0.02 0.15 0.19 -0.04 2.15 2.47 1fpiA1 GLN 32 HB3 0.03 0.13 0.09 -0.04 2.02 2.23 1fpiA1 GLN 32 HG2 0.04 0.16 0.06 -0.04 2.40 2.63 1fpiA1 GLN 32 HG3 0.04 -0.04 0.06 -0.04 2.39 2.40 1fpiA1 GLN 32 HE21 -0.01 -0.03 -0.00 -0.04 6.97 6.90 1fpiA1 GLN 32 HE22 -0.00 -0.07 0.07 -0.04 7.69 7.65 1fpiA1 LEU 33 H -0.04 0.21 -0.45 -0.55 8.37 7.55 1fpiA1 LEU 33 HA -0.06 0.07 0.37 -0.75 4.35 3.98 1fpiA1 LEU 33 HB2 -0.05 0.09 0.09 -0.04 1.64 1.72 1fpiA1 LEU 33 HB3 -0.17 0.13 0.14 -0.04 1.64 1.71 1fpiA1 LEU 33 HG -0.17 -0.03 -0.29 -0.04 1.64 1.10 1fpiA1 LEU 33 HD13 -0.06 -0.02 -0.08 -0.04 0.93 0.73 1fpiA1 LEU 33 HD23 -0.26 0.01 -0.08 -0.04 0.89 0.51 1fpiA1 LEU 34 H -0.11 0.59 -0.10 -0.55 8.37 8.20 1fpiA1 LEU 34 HA -0.18 0.02 0.44 -0.75 4.35 3.87 1fpiA1 LEU 34 HB2 -0.08 0.07 0.07 -0.04 1.64 1.66 1fpiA1 LEU 34 HB3 -0.10 -0.06 -0.02 -0.04 1.64 1.41 1fpiA1 LEU 34 HG -0.12 0.18 0.03 -0.04 1.64 1.68 1fpiA1 LEU 34 HD13 -0.03 -0.01 -0.07 -0.04 0.93 0.78 1fpiA1 LEU 34 HD23 -0.10 -0.01 -0.08 -0.04 0.89 0.65 1fpiA1 ASN 35 H -0.07 0.54 -0.38 -0.55 8.53 8.08 1fpiA1 ASN 35 HA -0.07 -0.02 0.52 -0.75 4.76 4.44 1fpiA1 ASN 35 HB2 -0.04 0.18 0.12 -0.04 2.88 3.10 1fpiA1 ASN 35 HB3 -0.03 -0.02 0.01 -0.04 2.79 2.71 1fpiA1 ASN 35 HD21 -0.02 -0.04 -0.03 -0.04 7.03 6.90 1fpiA1 ASN 35 HD22 -0.02 0.04 -0.08 -0.04 7.74 7.64 1fpiA1 SER 36 H -0.07 0.43 -0.23 -0.55 8.46 8.03 1fpiA1 SER 36 HA -0.05 0.04 0.33 -0.75 4.49 4.06 1fpiA1 SER 36 HB2 -0.08 0.08 0.12 -0.04 3.95 4.03 1fpiA1 SER 36 HB3 -0.07 0.06 -0.10 -0.04 3.93 3.79 1fpiA1 LEU 37 H -0.16 0.40 -0.31 -0.55 8.37 7.74 1fpiA1 LEU 37 HA -0.23 0.03 0.36 -0.75 4.35 3.76 1fpiA1 LEU 37 HB2 -0.31 0.11 0.09 -0.04 1.64 1.49 1fpiA1 LEU 37 HB3 -0.47 -0.04 -0.14 -0.04 1.64 0.95 1fpiA1 LEU 37 HG -0.33 0.05 -0.08 -0.04 1.64 1.24 1fpiA1 LEU 37 HD13 -0.68 -0.00 -0.16 -0.04 0.93 0.05 1fpiA1 LEU 37 HD23 -0.55 -0.02 -0.10 -0.04 0.89 0.18 1fpiA1 CYS 38 H -0.15 0.46 -0.28 -0.55 8.50 7.98 1fpiA1 CYS 38 HA -0.12 -0.02 0.31 -0.75 4.58 3.99 1fpiA1 CYS 38 HB2 -0.14 0.01 0.07 -0.04 2.97 2.87 1fpiA1 CYS 38 HB3 -0.05 0.21 0.13 -0.04 2.97 3.22 1fpiA1 THR 39 H -0.04 0.43 -0.40 -0.55 8.28 7.72 1fpiA1 THR 39 HA 0.02 0.03 0.39 -0.75 4.39 4.08 1fpiA1 THR 39 HB -0.03 0.17 0.10 -0.04 4.32 4.53 1fpiA1 THR 39 HG23 -0.02 -0.01 -0.16 -0.04 1.22 0.99 1fpiA1 ALA 40 H -0.06 0.51 -0.16 -0.55 8.40 8.14 1fpiA1 ALA 40 HA -0.04 0.03 0.40 -0.75 4.34 3.98 1fpiA1 ALA 40 HB3 -0.10 0.03 0.01 -0.04 1.41 1.30 1fpiA1 VAL 41 H -0.00 0.64 -0.21 -0.55 8.24 8.12 1fpiA1 VAL 41 HA 0.13 0.01 0.44 -0.75 4.13 3.96 1fpiA1 VAL 41 HB 0.11 0.14 0.04 -0.04 2.12 2.37 1fpiA1 VAL 41 HG13 0.37 -0.02 -0.22 -0.04 0.97 1.06 1fpiA1 VAL 41 HG23 0.03 0.01 -0.06 -0.04 0.95 0.89 1fpiA1 LYS 42 H 0.12 0.47 -0.25 -0.55 8.42 8.20 1fpiA1 LYS 42 HA 0.04 -0.01 0.46 -0.75 4.32 4.06 1fpiA1 LYS 42 HB2 0.03 0.15 0.13 -0.04 1.87 2.14 1fpiA1 LYS 42 HB3 -0.03 -0.02 -0.02 -0.04 1.79 1.68 1fpiA1 LYS 42 HG2 -0.19 -0.10 -0.08 -0.04 1.46 1.05 1fpiA1 LYS 42 HG3 0.22 0.18 -0.00 -0.04 1.46 1.81 1fpiA1 LYS 42 HD2 -0.10 -0.03 -0.06 -0.04 1.69 1.45 1fpiA1 LYS 42 HD3 -0.16 -0.11 -0.28 -0.04 1.68 1.09 1fpiA1 LYS 42 HE2 0.07 -0.04 -0.15 -0.04 2.99 2.82 1fpiA1 LYS 42 HE3 0.00 0.01 -0.01 -0.04 2.99 2.96 1fpiA1 ALA 43 H 0.00 0.44 -0.29 -0.55 8.40 8.01 1fpiA1 ALA 43 HA -0.03 0.04 0.39 -0.75 4.34 3.99 1fpiA1 ALA 43 HB3 -0.02 0.04 0.06 -0.04 1.41 1.45 1fpiA1 ILE 44 H -0.03 0.50 -0.15 -0.55 8.25 8.02 1fpiA1 ILE 44 HA -0.09 0.04 0.49 -0.75 4.18 3.86 1fpiA1 ILE 44 HB -0.03 0.06 0.11 -0.04 1.89 1.99 1fpiA1 ILE 44 HG12 -0.01 -0.09 0.04 -0.04 1.49 1.39 1fpiA1 ILE 44 HG13 -0.01 0.33 0.10 -0.04 1.21 1.59 1fpiA1 ILE 44 HG23 -0.15 -0.00 -0.12 -0.04 0.93 0.62 1fpiA1 ILE 44 HD13 0.07 -0.01 -0.01 -0.04 0.88 0.88 1fpiA1 SER 45 H -0.15 0.57 -0.19 -0.55 8.46 8.15 1fpiA1 SER 45 HA -0.64 -0.01 0.34 -0.75 4.49 3.43 1fpiA1 SER 45 HB2 0.02 0.13 0.12 -0.04 3.95 4.18 1fpiA1 SER 45 HB3 -0.06 0.11 0.11 -0.04 3.93 4.05 1fpiA1 THR 46 H -0.09 0.48 -0.27 -0.55 8.28 7.86 1fpiA1 THR 46 HA -0.06 0.01 0.31 -0.75 4.39 3.90 1fpiA1 THR 46 HB -0.05 0.15 0.10 -0.04 4.32 4.48 1fpiA1 THR 46 HG23 -0.03 -0.01 -0.15 -0.04 1.22 0.98 1fpiA1 ALA 47 H -0.09 0.37 -0.28 -0.55 8.40 7.85 1fpiA1 ALA 47 HA -0.03 0.06 0.50 -0.75 4.34 4.12 1fpiA1 ALA 47 HB3 -0.05 0.01 0.08 -0.04 1.41 1.42 1fpiA1 VAL 48 H -0.15 0.52 -0.18 -0.55 8.24 7.87 1fpiA1 VAL 48 HA -0.05 0.01 0.52 -0.75 4.13 3.86 1fpiA1 VAL 48 HB -0.28 0.12 0.14 -0.04 2.12 2.06 1fpiA1 VAL 48 HG13 -0.00 -0.01 -0.13 -0.04 0.97 0.78 1fpiA1 VAL 48 HG23 -0.18 -0.00 -0.03 -0.04 0.95 0.69 1fpiA1 ARG 49 H -0.07 0.41 -0.17 -0.55 8.46 8.08 1fpiA1 ARG 49 HA -0.02 0.12 0.49 -0.75 4.34 4.18 1fpiA1 ARG 49 HB2 -0.03 -0.03 0.00 -0.04 1.90 1.80 1fpiA1 ARG 49 HB3 -0.02 -0.02 0.12 -0.04 1.80 1.84 1fpiA1 ARG 49 HG2 -0.06 0.20 0.08 -0.04 1.67 1.85 1fpiA1 ARG 49 HG3 -0.04 -0.09 -0.07 -0.04 1.67 1.43 1fpiA1 ARG 49 HD2 -0.00 -0.09 -0.06 -0.04 3.22 3.02 1fpiA1 ARG 49 HD3 -0.00 0.01 -0.02 -0.04 3.22 3.16 1fpiA1 LYS 50 H -0.02 0.24 -0.92 -0.55 8.42 7.16 1fpiA1 LYS 50 HA 0.00 0.13 0.21 -0.75 4.32 3.91 1fpiA1 LYS 50 HB2 -0.01 0.15 -0.06 -0.04 1.87 1.91 1fpiA1 LYS 50 HB3 0.01 -0.16 0.15 -0.04 1.79 1.75 1fpiA1 LYS 50 HG2 -0.00 0.13 -0.29 -0.04 1.46 1.26 1fpiA1 LYS 50 HG3 0.00 -0.04 -0.08 -0.04 1.46 1.30 1fpiA1 LYS 50 HD2 0.03 -0.10 0.01 -0.04 1.69 1.59 1fpiA1 LYS 50 HD3 0.01 0.16 0.02 -0.04 1.68 1.83 1fpiA1 LYS 50 HE2 0.01 0.13 0.03 -0.04 2.99 3.11 1fpiA1 LYS 50 HE3 0.02 -0.04 -0.01 -0.04 2.99 2.93 1fpiA1 ALA 51 H -0.01 0.36 -0.13 -0.55 8.40 8.07 1fpiA1 ALA 51 HA 0.00 -0.01 0.50 -0.75 4.34 4.08 1fpiA1 ALA 51 HB3 -0.01 0.01 0.06 -0.04 1.41 1.43 1fpiA1 GLY 52 H 0.03 0.11 0.25 -0.55 8.43 8.27 1fpiA1 GLY 52 HA2 0.11 -0.04 0.34 -0.51 4.01 3.91 1fpiA1 GLY 52 HA3 0.07 0.18 0.51 -0.51 4.01 4.27 1fpiA1 ILE 53 H 0.04 0.43 0.01 -0.55 8.25 8.18 1fpiA1 ILE 53 HA 0.12 0.09 0.38 -0.75 4.18 4.01 1fpiA1 ILE 53 HB 0.05 0.17 0.11 -0.04 1.89 2.17 1fpiA1 ILE 53 HG12 0.02 0.05 -0.01 -0.04 1.49 1.51 1fpiA1 ILE 53 HG13 0.18 -0.06 -0.07 -0.04 1.21 1.21 1fpiA1 ILE 53 HG23 -0.03 -0.00 0.01 -0.04 0.93 0.86 1fpiA1 ILE 53 HD13 0.26 -0.00 0.03 -0.04 0.88 1.12 1fpiA1 ALA 54 H 0.04 0.07 -0.18 -0.55 8.40 7.78 1fpiA1 ALA 54 HA 0.05 0.14 0.35 -0.75 4.34 4.11 1fpiA1 ALA 54 HB3 -0.06 0.02 0.02 -0.04 1.41 1.35 1fpiA1 HIS 55 H 0.12 0.24 -0.28 -0.55 8.41 7.95 1fpiA1 HIS 55 HA 0.03 -0.14 0.52 -0.75 4.63 4.29 1fpiA1 HIS 55 HB2 0.02 0.22 0.11 -0.04 3.26 3.57 1fpiA1 HIS 55 HB3 0.01 0.06 -0.06 -0.04 3.20 3.17 1fpiA1 HIS 55 HD2 0.01 -0.01 -0.00 -0.04 6.97 6.93 1fpiA1 HIS 55 HE1 0.00 0.02 -0.02 -0.04 7.75 7.71 1fpiA1 LEU 56 H 0.16 0.28 -0.28 -0.55 8.37 7.99 1fpiA1 LEU 56 HA 0.01 0.05 0.54 -0.75 4.35 4.19 1fpiA1 LEU 56 HB2 0.09 -0.02 0.17 -0.04 1.64 1.84 1fpiA1 LEU 56 HB3 0.15 0.14 0.06 -0.04 1.64 1.94 1fpiA1 LEU 56 HG -0.03 -0.03 0.19 -0.04 1.64 1.73 1fpiA1 LEU 56 HD13 0.04 -0.01 -0.02 -0.04 0.93 0.91 1fpiA1 LEU 56 HD23 -0.26 -0.01 -0.07 -0.04 0.89 0.52 1fpiA1 TYR 57 H 0.25 0.23 -0.45 -0.55 8.29 7.76 1fpiA1 TYR 57 HA 0.00 0.16 0.81 -0.75 4.56 4.78 1fpiA1 TYR 57 HB2 -0.01 -0.01 0.12 -0.04 3.06 3.13 1fpiA1 TYR 57 HB3 -0.01 -0.03 0.18 -0.04 2.98 3.09 1fpiA1 TYR 57 HD2 0.00 0.15 -0.01 -0.04 7.15 7.25 1fpiA1 TYR 57 HE2 0.00 -0.02 -0.04 -0.04 6.85 6.76 1fpiA1 GLY 58 H 0.04 0.34 -0.60 -0.55 8.43 7.67 1fpiA1 GLY 58 HA2 0.03 0.20 0.31 -0.51 4.01 4.04 1fpiA1 GLY 58 HA3 0.02 0.03 0.40 -0.51 4.01 3.95 1fpiA1 ILE 59 H -0.02 0.28 0.02 -0.55 8.25 7.97 1fpiA1 ILE 59 HA -0.04 0.14 0.39 -0.75 4.18 3.92 1fpiA1 ILE 59 HB -0.10 0.05 -0.14 -0.04 1.89 1.65 1fpiA1 ILE 59 HG12 -0.12 0.01 -0.12 -0.04 1.49 1.22 1fpiA1 ILE 59 HG13 -0.07 0.04 0.04 -0.04 1.21 1.19 1fpiA1 ILE 59 HG23 -0.49 -0.02 -0.23 -0.04 0.93 0.15 1fpiA1 ILE 59 HD13 -0.11 -0.02 -0.05 -0.04 0.88 0.66 1fpiA1 ALA 60 H -0.01 0.09 -0.09 -0.55 8.40 7.84 1fpiA1 ALA 60 HA 0.01 0.21 0.77 -0.75 4.34 4.57 1fpiA1 ALA 60 HB3 0.12 -0.00 0.02 -0.04 1.41 1.51 1fpiA1 GLY 61 H 0.03 -0.01 -0.44 -0.55 8.43 7.45 1fpiA1 GLY 61 HA2 0.02 0.13 0.11 -0.51 4.01 3.75 1fpiA1 GLY 61 HA3 0.03 0.25 0.69 -0.51 4.01 4.46 1fpiA1 LYS 72 HA 0.01 -0.01 0.24 -0.75 4.32 3.80 1fpiA1 LYS 72 HB2 0.00 0.06 0.09 -0.04 1.87 1.98 1fpiA1 LYS 72 HB3 0.01 0.02 0.04 -0.04 1.79 1.82 1fpiA1 LYS 72 HG2 0.00 -0.03 0.03 -0.04 1.46 1.43 1fpiA1 LYS 72 HG3 -0.00 0.08 0.01 -0.04 1.46 1.51 1fpiA1 LYS 72 HD2 0.00 -0.15 -0.34 -0.04 1.69 1.16 1fpiA1 LYS 72 HD3 -0.00 0.03 -0.07 -0.04 1.68 1.60 1fpiA1 LYS 72 HE2 0.00 0.03 -0.08 -0.04 2.99 2.90 1fpiA1 LYS 72 HE3 -0.00 0.05 -0.06 -0.04 2.99 2.94 1fpiA1 LEU 73 H 0.01 0.29 0.13 -0.55 8.37 8.26 1fpiA1 LEU 73 HA 0.01 0.09 0.40 -0.75 4.35 4.09 1fpiA1 LEU 73 HB2 0.01 0.09 0.13 -0.04 1.64 1.83 1fpiA1 LEU 73 HB3 0.02 -0.03 0.05 -0.04 1.64 1.65 1fpiA1 LEU 73 HG 0.01 -0.07 -0.13 -0.04 1.64 1.40 1fpiA1 LEU 73 HD13 -0.01 -0.00 -0.06 -0.04 0.93 0.82 1fpiA1 LEU 73 HD23 0.00 0.02 -0.02 -0.04 0.89 0.85 1fpiA1 ASP 74 H 0.02 0.20 -0.14 -0.55 8.40 7.94 1fpiA1 ASP 74 HA 0.04 0.10 0.53 -0.75 4.63 4.55 1fpiA1 ASP 74 HB2 0.03 -0.01 -0.03 -0.04 2.71 2.65 1fpiA1 ASP 74 HB3 0.03 0.04 0.10 -0.04 2.70 2.83 1fpiA1 VAL 75 H 0.02 0.17 -0.36 -0.55 8.24 7.52 1fpiA1 VAL 75 HA 0.02 0.03 0.48 -0.75 4.13 3.90 1fpiA1 VAL 75 HB 0.01 0.24 0.17 -0.04 2.12 2.50 1fpiA1 VAL 75 HG13 0.01 -0.00 -0.10 -0.04 0.97 0.84 1fpiA1 VAL 75 HG23 0.01 -0.01 0.03 -0.04 0.95 0.94 1fpiA1 LEU 76 H 0.01 0.67 0.00 -0.55 8.37 8.51 1fpiA1 LEU 76 HA 0.00 0.04 0.42 -0.75 4.35 4.06 1fpiA1 LEU 76 HB2 -0.00 0.03 0.05 -0.04 1.64 1.68 1fpiA1 LEU 76 HB3 0.00 0.09 0.12 -0.04 1.64 1.81 1fpiA1 LEU 76 HG -0.01 -0.01 -0.30 -0.04 1.64 1.28 1fpiA1 LEU 76 HD13 -0.01 -0.01 -0.01 -0.04 0.93 0.86 1fpiA1 LEU 76 HD23 -0.01 0.01 -0.04 -0.04 0.89 0.81 1fpiA1 SER 77 H 0.02 0.45 -0.29 -0.55 8.46 8.10 1fpiA1 SER 77 HA 0.01 0.04 0.40 -0.75 4.49 4.19 1fpiA1 SER 77 HB2 0.06 0.04 0.06 -0.04 3.95 4.07 1fpiA1 SER 77 HB3 0.07 -0.02 -0.10 -0.04 3.93 3.84 1fpiA1 ASN 78 H 0.05 0.43 -0.31 -0.55 8.53 8.15 1fpiA1 ASN 78 HA 0.17 -0.04 0.43 -0.75 4.76 4.57 1fpiA1 ASN 78 HB2 0.06 0.10 0.18 -0.04 2.88 3.17 1fpiA1 ASN 78 HB3 0.05 0.13 0.13 -0.04 2.79 3.06 1fpiA1 ASN 78 HD21 0.02 -0.03 -0.11 -0.04 7.03 6.87 1fpiA1 ASN 78 HD22 0.03 0.08 -0.07 -0.04 7.74 7.73 1fpiA1 ASP 79 H 0.03 0.57 -0.12 -0.55 8.40 8.33 1fpiA1 ASP 79 HA 0.02 -0.02 0.35 -0.75 4.63 4.23 1fpiA1 ASP 79 HB2 0.01 0.13 0.14 -0.04 2.71 2.94 1fpiA1 ASP 79 HB3 0.00 -0.03 -0.02 -0.04 2.70 2.62 1fpiA1 LEU 80 H 0.00 0.55 -0.23 -0.55 8.37 8.14 1fpiA1 LEU 80 HA -0.02 0.03 0.41 -0.75 4.35 4.01 1fpiA1 LEU 80 HB2 -0.02 0.07 0.16 -0.04 1.64 1.82 1fpiA1 LEU 80 HB3 -0.03 -0.03 -0.01 -0.04 1.64 1.52 1fpiA1 LEU 80 HG -0.01 0.10 0.00 -0.04 1.64 1.69 1fpiA1 LEU 80 HD13 -0.02 -0.02 -0.18 -0.04 0.93 0.66 1fpiA1 LEU 80 HD23 -0.02 -0.01 -0.03 -0.04 0.89 0.79 1fpiA1 VAL 81 H -0.04 0.56 -0.07 -0.55 8.24 8.13 1fpiA1 VAL 81 HA -0.18 0.01 0.33 -0.75 4.13 3.53 1fpiA1 VAL 81 HB -0.23 0.05 0.12 -0.04 2.12 2.02 1fpiA1 VAL 81 HG13 -1.02 -0.02 -0.17 -0.04 0.97 -0.28 1fpiA1 VAL 81 HG23 -0.12 0.05 0.04 -0.04 0.95 0.88 1fpiA1 ILE 82 H -0.00 0.65 -0.10 -0.55 8.25 8.24 1fpiA1 ILE 82 HA 0.02 -0.02 0.35 -0.75 4.18 3.78 1fpiA1 ILE 82 HB 0.05 0.10 0.08 -0.04 1.89 2.08 1fpiA1 ILE 82 HG12 0.29 -0.07 -0.03 -0.04 1.49 1.65 1fpiA1 ILE 82 HG13 0.28 0.11 0.05 -0.04 1.21 1.61 1fpiA1 ILE 82 HG23 0.04 -0.01 -0.18 -0.04 0.93 0.73 1fpiA1 ILE 82 HD13 0.09 -0.03 -0.09 -0.04 0.88 0.81 1fpiA1 ASN 83 H -0.02 0.63 -0.15 -0.55 8.53 8.44 1fpiA1 ASN 83 HA -0.03 0.02 0.54 -0.75 4.76 4.53 1fpiA1 ASN 83 HB2 -0.02 0.24 0.17 -0.04 2.88 3.23 1fpiA1 ASN 83 HB3 -0.02 -0.03 -0.05 -0.04 2.79 2.65 1fpiA1 ASN 83 HD21 -0.00 -0.06 -0.01 -0.04 7.03 6.91 1fpiA1 ASN 83 HD22 -0.00 0.28 0.11 -0.04 7.74 8.09 1fpiA1 VAL 84 H -0.06 0.70 -0.01 -0.55 8.24 8.32 1fpiA1 VAL 84 HA -0.04 0.04 0.42 -0.75 4.13 3.79 1fpiA1 VAL 84 HB -0.09 0.03 0.07 -0.04 2.12 2.08 1fpiA1 VAL 84 HG13 -0.06 -0.03 -0.05 -0.04 0.97 0.79 1fpiA1 VAL 84 HG23 -0.04 0.03 0.03 -0.04 0.95 0.93 1fpiA1 LEU 85 H -0.10 0.55 -0.28 -0.55 8.37 8.00 1fpiA1 LEU 85 HA -0.09 0.03 0.44 -0.75 4.35 3.98 1fpiA1 LEU 85 HB2 -0.09 0.11 0.10 -0.04 1.64 1.72 1fpiA1 LEU 85 HB3 -0.06 -0.10 -0.09 -0.04 1.64 1.35 1fpiA1 LEU 85 HG -0.26 0.21 0.00 -0.04 1.64 1.55 1fpiA1 LEU 85 HD13 -0.27 -0.04 -0.13 -0.04 0.93 0.45 1fpiA1 LEU 85 HD23 -0.18 -0.03 -0.13 -0.04 0.89 0.51 1fpiA1 LYS 86 H -0.06 0.54 -0.09 -0.55 8.42 8.25 1fpiA1 LYS 86 HA -0.09 -0.01 0.43 -0.75 4.32 3.89 1fpiA1 LYS 86 HB2 -0.07 0.11 0.17 -0.04 1.87 2.03 1fpiA1 LYS 86 HB3 -0.13 -0.05 -0.02 -0.04 1.79 1.54 1fpiA1 LYS 86 HG2 -0.05 -0.08 -0.00 -0.04 1.46 1.28 1fpiA1 LYS 86 HG3 -0.03 0.20 0.08 -0.04 1.46 1.68 1fpiA1 LYS 86 HD2 -0.03 0.02 -0.05 -0.04 1.69 1.58 1fpiA1 LYS 86 HD3 -0.06 -0.06 -0.01 -0.04 1.68 1.51 1fpiA1 LYS 86 HE2 -0.02 -0.04 -0.12 -0.04 2.99 2.77 1fpiA1 LYS 86 HE3 0.00 -0.01 -0.10 -0.04 2.99 2.84 1fpiA1 SER 87 H -0.07 0.47 -0.35 -0.55 8.46 7.96 1fpiA1 SER 87 HA -0.18 0.05 0.51 -0.75 4.49 4.12 1fpiA1 SER 87 HB2 -0.01 0.10 0.08 -0.04 3.95 4.09 1fpiA1 SER 87 HB3 0.06 -0.05 0.12 -0.04 3.93 4.02 1fpiA1 SER 88 H -0.03 0.34 -0.75 -0.55 8.46 7.47 1fpiA1 SER 88 HA 0.12 0.12 0.58 -0.75 4.49 4.56 1fpiA1 SER 88 HB2 0.02 -0.05 -0.09 -0.04 3.95 3.79 1fpiA1 SER 88 HB3 -0.01 0.12 0.11 -0.04 3.93 4.11 1fpiA1 PHE 89 H -0.10 0.36 -0.10 -0.55 8.34 7.95 1fpiA1 PHE 89 HA 0.01 0.37 0.36 -0.75 4.62 4.61 1fpiA1 PHE 89 HB2 0.01 0.17 0.03 -0.04 3.15 3.31 1fpiA1 PHE 89 HB3 0.01 -0.01 0.15 -0.04 3.06 3.18 1fpiA1 PHE 89 HD2 0.00 0.12 -0.25 -0.04 7.28 7.11 1fpiA1 PHE 89 HE2 -0.00 0.01 -0.07 -0.04 7.38 7.28 1fpiA1 PHE 89 HZ -0.00 -0.07 -0.05 -0.04 7.32 7.16 1fpiA1 ALA 90 H 0.08 0.03 -0.24 -0.55 8.40 7.71 1fpiA1 ALA 90 HA 0.13 0.18 0.90 -0.75 4.34 4.79 1fpiA1 ALA 90 HB3 0.13 -0.00 -0.02 -0.04 1.41 1.48 1fpiA1 THR 91 H 0.04 0.26 0.09 -0.55 8.28 8.12 1fpiA1 THR 91 HA 0.11 0.19 1.08 -0.75 4.39 5.02 1fpiA1 THR 91 HB 0.08 0.05 0.06 -0.04 4.32 4.47 1fpiA1 THR 91 HG23 0.06 -0.02 -0.23 -0.04 1.22 0.99 1fpiA1 CYS 92 H 0.06 0.48 0.23 -0.55 8.50 8.73 1fpiA1 CYS 92 HA 0.01 0.19 0.93 -0.75 4.58 4.96 1fpiA1 CYS 92 HB2 0.01 -0.04 0.04 -0.04 2.97 2.94 1fpiA1 CYS 92 HB3 0.01 0.33 -0.09 -0.04 2.97 3.18 1fpiA1 VAL 93 H 0.06 0.22 0.25 -0.55 8.24 8.22 1fpiA1 VAL 93 HA 0.03 0.33 0.86 -0.75 4.13 4.61 1fpiA1 VAL 93 HB 0.05 -0.04 -0.06 -0.04 2.12 2.03 1fpiA1 VAL 93 HG13 0.03 -0.01 -0.34 -0.04 0.97 0.60 1fpiA1 VAL 93 HG23 0.01 0.02 -0.35 -0.04 0.95 0.60 1fpiA1 LEU 94 H 0.05 0.67 0.27 -0.55 8.37 8.81 1fpiA1 LEU 94 HA 0.15 0.30 1.06 -0.75 4.35 5.10 1fpiA1 LEU 94 HB2 0.11 -0.07 0.14 -0.04 1.64 1.77 1fpiA1 LEU 94 HB3 0.31 0.02 0.02 -0.04 1.64 1.95 1fpiA1 LEU 94 HG 0.08 -0.05 -0.32 -0.04 1.64 1.30 1fpiA1 LEU 94 HD13 0.08 -0.01 -0.08 -0.04 0.93 0.88 1fpiA1 LEU 94 HD23 0.12 0.01 -0.08 -0.04 0.89 0.90 1fpiA1 VAL 95 H 0.06 0.70 0.35 -0.55 8.24 8.80 1fpiA1 VAL 95 HA -0.08 0.12 1.03 -0.75 4.13 4.45 1fpiA1 VAL 95 HB 0.06 -0.02 0.15 -0.04 2.12 2.27 1fpiA1 VAL 95 HG13 -0.01 0.01 -0.15 -0.04 0.97 0.79 1fpiA1 VAL 95 HG23 0.00 -0.01 -0.15 -0.04 0.95 0.75 1fpiA1 THR 96 H -0.22 0.26 0.14 -0.55 8.28 7.92 1fpiA1 THR 96 HA -0.99 0.41 1.16 -0.75 4.39 4.21 1fpiA1 THR 96 HB -0.24 -0.04 0.06 -0.04 4.32 4.06 1fpiA1 THR 96 HG23 -0.35 -0.11 0.11 -0.04 1.22 0.84 1fpiA1 GLU 97 H -0.65 0.29 0.33 -0.55 8.60 8.03 1fpiA1 GLU 97 HA -0.32 0.15 0.51 -0.75 4.29 3.88 1fpiA1 GLU 97 HB2 -0.49 0.01 0.16 -0.04 2.09 1.73 1fpiA1 GLU 97 HB3 -0.20 -0.08 0.18 -0.04 1.99 1.85 1fpiA1 GLU 97 HG2 -0.05 0.04 -0.15 -0.04 2.34 2.15 1fpiA1 GLU 97 HG3 0.12 0.04 0.07 -0.04 2.34 2.53 1fpiA1 GLU 98 H -0.18 0.00 -0.10 -0.55 8.60 7.77 1fpiA1 GLU 98 HA -0.07 0.12 0.44 -0.75 4.29 4.02 1fpiA1 GLU 98 HB2 -0.05 -0.01 -0.01 -0.04 2.09 1.99 1fpiA1 GLU 98 HB3 -0.03 0.04 0.06 -0.04 1.99 2.02 1fpiA1 GLU 98 HG2 -0.05 -0.11 0.08 -0.04 2.34 2.22 1fpiA1 GLU 98 HG3 0.00 0.07 0.01 -0.04 2.34 2.38 1fpiA1 ASP 99 H -0.10 0.17 -0.57 -0.55 8.40 7.36 1fpiA1 ASP 99 HA -0.02 0.13 1.01 -0.75 4.63 5.00 1fpiA1 ASP 99 HB2 -0.04 -0.07 0.10 -0.04 2.71 2.65 1fpiA1 ASP 99 HB3 0.00 0.13 0.04 -0.04 2.70 2.83 1fpiA1 LYS 100 H 0.01 0.13 0.14 -0.55 8.42 8.14 1fpiA1 LYS 100 HA 0.04 0.07 0.42 -0.75 4.32 4.10 1fpiA1 LYS 100 HB2 0.00 0.03 0.14 -0.04 1.87 2.00 1fpiA1 LYS 100 HB3 0.03 -0.07 0.16 -0.04 1.79 1.87 1fpiA1 LYS 100 HG2 0.05 -0.01 -0.24 -0.04 1.46 1.22 1fpiA1 LYS 100 HG3 0.04 0.00 0.02 -0.04 1.46 1.48 1fpiA1 LYS 100 HD2 0.01 0.01 0.02 -0.04 1.69 1.69 1fpiA1 LYS 100 HD3 0.02 -0.01 0.00 -0.04 1.68 1.65 1fpiA1 LYS 100 HE2 0.02 0.00 -0.00 -0.04 2.99 2.97 1fpiA1 LYS 100 HE3 0.01 0.01 0.00 -0.04 2.99 2.97 1fpiA1 ASN 101 H 0.05 0.05 -0.06 -0.55 8.53 8.02 1fpiA1 ASN 101 HA 0.04 0.15 0.87 -0.75 4.76 5.07 1fpiA1 ASN 101 HB2 0.02 0.00 -0.00 -0.04 2.88 2.85 1fpiA1 ASN 101 HB3 0.01 0.03 0.07 -0.04 2.79 2.87 1fpiA1 ASN 101 HD21 0.02 0.01 -0.02 -0.04 7.03 7.01 1fpiA1 ASN 101 HD22 0.01 -0.04 0.05 -0.04 7.74 7.73 1fpiA1 ALA 102 H -0.01 0.04 0.15 -0.55 8.40 8.03 1fpiA1 ALA 102 HA -0.02 0.12 0.57 -0.75 4.34 4.26 1fpiA1 ALA 102 HB3 -0.02 -0.02 -0.00 -0.04 1.41 1.34 1fpiA1 ILE 103 H 0.01 0.88 0.39 -0.55 8.25 8.98 1fpiA1 ILE 103 HA 0.01 0.13 0.70 -0.75 4.18 4.26 1fpiA1 ILE 103 HB 0.05 -0.07 0.19 -0.04 1.89 2.01 1fpiA1 ILE 103 HG12 0.04 -0.02 -0.03 -0.04 1.49 1.43 1fpiA1 ILE 103 HG13 0.01 0.05 -0.08 -0.04 1.21 1.15 1fpiA1 ILE 103 HG23 0.02 0.01 -0.23 -0.04 0.93 0.68 1fpiA1 ILE 103 HD13 -0.00 -0.03 0.02 -0.04 0.88 0.83 1fpiA1 ILE 104 H 0.01 0.20 0.13 -0.55 8.25 8.04 1fpiA1 ILE 104 HA 0.01 0.20 0.80 -0.75 4.18 4.43 1fpiA1 ILE 104 HB 0.00 -0.05 0.10 -0.04 1.89 1.90 1fpiA1 ILE 104 HG12 0.00 0.01 -0.04 -0.04 1.49 1.42 1fpiA1 ILE 104 HG13 0.00 0.04 -0.02 -0.04 1.21 1.20 1fpiA1 ILE 104 HG23 0.00 0.06 -0.07 -0.04 0.93 0.88 1fpiA1 ILE 104 HD13 0.00 -0.04 -0.37 -0.04 0.88 0.43 1fpiA1 VAL 105 H 0.01 0.53 0.03 -0.55 8.24 8.26 1fpiA1 VAL 105 HA -0.02 -0.03 0.35 -0.75 4.13 3.68 1fpiA1 VAL 105 HB -0.01 0.04 0.02 -0.04 2.12 2.13 1fpiA1 VAL 105 HG13 -0.07 0.10 -0.25 -0.04 0.97 0.71 1fpiA1 VAL 105 HG23 -0.00 -0.03 -0.35 -0.04 0.95 0.53 1fpiA1 GLU 106 H -0.04 0.06 0.13 -0.55 8.60 8.20 1fpiA1 GLU 106 HA -0.02 0.14 0.42 -0.75 4.29 4.08 1fpiA1 GLU 106 HB2 -0.06 -0.07 0.14 -0.04 2.09 2.05 1fpiA1 GLU 106 HB3 -0.02 -0.02 0.10 -0.04 1.99 2.00 1fpiA1 GLU 106 HG2 -0.03 0.01 0.06 -0.04 2.34 2.34 1fpiA1 GLU 106 HG3 -0.02 0.07 0.08 -0.04 2.34 2.43 1fpiA1 PRO 107 HA 0.00 0.13 0.40 -0.51 4.44 4.47 1fpiA1 PRO 107 HB2 0.01 0.04 0.01 -0.04 2.28 2.31 1fpiA1 PRO 107 HB3 0.01 0.05 0.14 -0.04 2.02 2.17 1fpiA1 PRO 107 HG2 0.01 -0.02 0.06 -0.04 2.03 2.04 1fpiA1 PRO 107 HG3 0.00 0.04 0.08 -0.04 2.03 2.12 1fpiA1 PRO 107 HD2 -0.01 0.02 0.25 -0.04 3.68 3.91 1fpiA1 PRO 107 HD3 -0.00 0.19 0.21 -0.04 3.65 4.01 1fpiA1 GLU 108 H 0.00 -0.02 -0.50 -0.55 8.60 7.53 1fpiA1 GLU 108 HA 0.07 0.12 0.50 -0.75 4.29 4.22 1fpiA1 GLU 108 HB2 0.01 -0.03 0.00 -0.04 2.09 2.03 1fpiA1 GLU 108 HB3 0.10 0.04 0.01 -0.04 1.99 2.10 1fpiA1 GLU 108 HG2 0.03 0.02 0.00 -0.04 2.34 2.35 1fpiA1 GLU 108 HG3 0.03 0.02 -0.01 -0.04 2.34 2.34 1fpiA1 LYS 109 H -0.08 0.18 -0.10 -0.55 8.42 7.86 1fpiA1 LYS 109 HA -0.18 0.21 0.79 -0.75 4.32 4.38 1fpiA1 LYS 109 HB2 -0.32 -0.06 0.10 -0.04 1.87 1.55 1fpiA1 LYS 109 HB3 -1.00 0.13 0.26 -0.04 1.79 1.13 1fpiA1 LYS 109 HG2 -0.87 0.05 -0.09 -0.04 1.46 0.51 1fpiA1 LYS 109 HG3 -0.24 -0.16 -0.05 -0.04 1.46 0.97 1fpiA1 LYS 109 HD2 -0.25 -0.07 -0.02 -0.04 1.69 1.32 1fpiA1 LYS 109 HD3 -0.42 0.06 -0.13 -0.04 1.68 1.15 1fpiA1 LYS 109 HE2 -0.10 -0.02 -0.04 -0.04 2.99 2.79 1fpiA1 LYS 109 HE3 -0.10 0.03 -0.05 -0.04 2.99 2.82 1fpiA1 ARG 110 H 0.02 0.14 -0.53 -0.55 8.46 7.53 1fpiA1 ARG 110 HA -0.00 0.20 0.46 -0.75 4.34 4.24 1fpiA1 ARG 110 HB2 0.00 -0.03 -0.07 -0.04 1.90 1.77 1fpiA1 ARG 110 HB3 0.02 0.01 0.03 -0.04 1.80 1.83 1fpiA1 ARG 110 HG2 0.01 0.16 -0.16 -0.04 1.67 1.64 1fpiA1 ARG 110 HG3 0.00 -0.06 0.08 -0.04 1.67 1.65 1fpiA1 ARG 110 HD2 0.01 -0.04 -0.02 -0.04 3.22 3.13 1fpiA1 ARG 110 HD3 0.00 -0.06 -0.00 -0.04 3.22 3.12 1fpiA1 GLY 111 H 0.03 0.36 -0.27 -0.55 8.43 8.00 1fpiA1 GLY 111 HA2 0.05 0.28 0.67 -0.51 4.01 4.49 1fpiA1 GLY 111 HA3 0.08 -0.23 -0.13 -0.51 4.01 3.22 1fpiA1 LYS 112 H -0.03 0.14 0.08 -0.55 8.42 8.06 1fpiA1 LYS 112 HA -0.08 0.26 0.90 -0.75 4.32 4.65 1fpiA1 LYS 112 HB2 -0.19 0.06 0.17 -0.04 1.87 1.87 1fpiA1 LYS 112 HB3 -0.13 0.02 0.02 -0.04 1.79 1.65 1fpiA1 LYS 112 HG2 -0.50 -0.05 0.03 -0.04 1.46 0.90 1fpiA1 LYS 112 HG3 -1.03 -0.02 -0.23 -0.04 1.46 0.14 1fpiA1 LYS 112 HD2 -0.40 -0.03 0.02 -0.04 1.69 1.24 1fpiA1 LYS 112 HD3 -0.23 0.08 0.05 -0.04 1.68 1.53 1fpiA1 LYS 112 HE2 -0.08 0.03 0.04 -0.04 2.99 2.93 1fpiA1 LYS 112 HE3 -0.10 0.05 0.03 -0.04 2.99 2.92 1fpiA1 TYR 113 H 0.10 0.41 0.13 -0.55 8.29 8.37 1fpiA1 TYR 113 HA 0.05 0.24 1.28 -0.75 4.56 5.37 1fpiA1 TYR 113 HB2 0.03 0.12 0.14 -0.04 3.06 3.31 1fpiA1 TYR 113 HB3 0.04 0.03 0.04 -0.04 2.98 3.04 1fpiA1 TYR 113 HD2 0.03 0.22 -0.05 -0.04 7.15 7.31 1fpiA1 TYR 113 HE2 0.02 -0.06 -0.08 -0.04 6.85 6.69 1fpiA1 VAL 114 H 0.26 0.84 0.36 -0.55 8.24 9.15 1fpiA1 VAL 114 HA 0.14 0.19 0.99 -0.75 4.13 4.69 1fpiA1 VAL 114 HB 0.26 -0.02 0.08 -0.04 2.12 2.40 1fpiA1 VAL 114 HG13 0.12 -0.01 -0.25 -0.04 0.97 0.79 1fpiA1 VAL 114 HG23 0.07 0.01 -0.22 -0.04 0.95 0.77 1fpiA1 VAL 115 H 0.16 0.48 0.35 -0.55 8.24 8.68 1fpiA1 VAL 115 HA 0.16 0.35 1.36 -0.75 4.13 5.25 1fpiA1 VAL 115 HB 0.17 -0.06 0.11 -0.04 2.12 2.30 1fpiA1 VAL 115 HG13 0.13 0.00 -0.17 -0.04 0.97 0.90 1fpiA1 VAL 115 HG23 0.05 0.00 -0.20 -0.04 0.95 0.76 1fpiA1 CYS 116 H 0.20 0.76 0.43 -0.55 8.50 9.33 1fpiA1 CYS 116 HA 0.13 0.15 1.03 -0.75 4.58 5.14 1fpiA1 CYS 116 HB2 0.21 0.06 0.09 -0.04 2.97 3.30 1fpiA1 CYS 116 HB3 0.28 -0.08 -0.09 -0.04 2.97 3.05 1fpiA1 PHE 117 H -0.29 0.68 0.44 -0.55 8.34 8.61 1fpiA1 PHE 117 HA 0.15 0.26 0.87 -0.75 4.62 5.14 1fpiA1 PHE 117 HB2 0.10 0.03 0.05 -0.04 3.15 3.30 1fpiA1 PHE 117 HB3 0.12 0.01 -0.19 -0.04 3.06 2.95 1fpiA1 PHE 117 HD2 0.02 -0.02 -0.36 -0.04 7.28 6.88 1fpiA1 PHE 117 HE2 -0.01 -0.02 -0.08 -0.04 7.38 7.24 1fpiA1 PHE 117 HZ -0.02 0.00 -0.11 -0.04 7.32 7.16 1fpiA1 ASP 118 H 0.28 0.78 0.36 -0.55 8.40 9.27 1fpiA1 ASP 118 HA -0.09 0.00 0.90 -0.75 4.63 4.69 1fpiA1 ASP 118 HB2 0.22 0.12 0.03 -0.04 2.71 3.04 1fpiA1 ASP 118 HB3 0.14 -0.07 0.30 -0.04 2.70 3.03 1fpiA1 PRO 119 HA 0.22 0.09 0.44 -0.51 4.44 4.68 1fpiA1 PRO 119 HB2 0.13 0.04 -0.22 -0.04 2.28 2.20 1fpiA1 PRO 119 HB3 0.27 0.08 -0.07 -0.04 2.02 2.26 1fpiA1 PRO 119 HG2 0.08 -0.05 0.12 -0.04 2.03 2.13 1fpiA1 PRO 119 HG3 0.10 0.04 0.09 -0.04 2.03 2.21 1fpiA1 PRO 119 HD2 -0.04 0.01 0.30 -0.04 3.68 3.91 1fpiA1 PRO 119 HD3 0.14 0.17 0.08 -0.04 3.65 4.01 1fpiA1 LEU 120 H 0.09 0.08 -0.17 -0.55 8.37 7.83 1fpiA1 LEU 120 HA 0.15 0.34 0.74 -0.75 4.35 4.84 1fpiA1 LEU 120 HB2 0.10 0.03 -0.18 -0.04 1.64 1.54 1fpiA1 LEU 120 HB3 0.07 -0.12 0.14 -0.04 1.64 1.69 1fpiA1 LEU 120 HG 0.10 -0.02 -0.19 -0.04 1.64 1.49 1fpiA1 LEU 120 HD13 0.21 0.04 -0.04 -0.04 0.93 1.09 1fpiA1 LEU 120 HD23 0.05 0.01 -0.16 -0.04 0.89 0.75 1fpiA1 ASP 121 H 0.08 0.98 0.30 -0.55 8.40 9.20 1fpiA1 ASP 121 HA 0.05 0.03 0.77 -0.75 4.63 4.72 1fpiA1 ASP 121 HB2 0.05 0.07 0.08 -0.04 2.71 2.87 1fpiA1 ASP 121 HB3 0.01 -0.01 0.07 -0.04 2.70 2.72 1fpiA1 GLY 122 H 0.03 0.13 0.26 -0.55 8.43 8.31 1fpiA1 GLY 122 HA2 0.03 0.06 0.43 -0.51 4.01 4.02 1fpiA1 GLY 122 HA3 0.02 0.21 0.77 -0.51 4.01 4.50 1fpiA1 SER 123 H 0.04 0.10 0.10 -0.55 8.46 8.15 1fpiA1 SER 123 HA 0.04 0.13 0.31 -0.75 4.49 4.22 1fpiA1 SER 123 HB2 0.03 -0.01 0.07 -0.04 3.95 4.00 1fpiA1 SER 123 HB3 0.03 0.03 0.07 -0.04 3.93 4.02 1fpiA1 SER 124 H 0.04 0.00 -0.31 -0.55 8.46 7.64 1fpiA1 SER 124 HA 0.03 0.13 0.53 -0.75 4.49 4.43 1fpiA1 SER 124 HB2 0.04 0.08 0.00 -0.04 3.95 4.03 1fpiA1 SER 124 HB3 0.04 0.02 0.08 -0.04 3.93 4.03 1fpiA1 ASN 125 H 0.03 0.28 -0.27 -0.55 8.53 8.03 1fpiA1 ASN 125 HA 0.03 0.10 0.47 -0.75 4.76 4.60 1fpiA1 ASN 125 HB2 0.02 0.23 -0.01 -0.04 2.88 3.09 1fpiA1 ASN 125 HB3 0.02 -0.06 0.02 -0.04 2.79 2.73 1fpiA1 ASN 125 HD21 0.03 0.01 -0.03 -0.04 7.03 6.99 1fpiA1 ASN 125 HD22 0.03 0.03 -0.02 -0.04 7.74 7.73 1fpiA1 ILE 126 H 0.03 0.21 -0.48 -0.55 8.25 7.46 1fpiA1 ILE 126 HA 0.03 0.11 0.29 -0.75 4.18 3.87 1fpiA1 ILE 126 HB 0.03 0.04 0.11 -0.04 1.89 2.03 1fpiA1 ILE 126 HG12 0.04 0.03 -0.01 -0.04 1.49 1.50 1fpiA1 ILE 126 HG13 0.04 -0.04 0.10 -0.04 1.21 1.27 1fpiA1 ILE 126 HG23 0.03 0.00 -0.12 -0.04 0.93 0.80 1fpiA1 ILE 126 HD13 0.03 -0.02 0.04 -0.04 0.88 0.90 1fpiA1 ASP 127 H 0.03 0.18 -0.14 -0.55 8.40 7.92 1fpiA1 ASP 127 HA 0.03 0.08 0.43 -0.75 4.63 4.40 1fpiA1 ASP 127 HB2 0.02 0.04 0.05 -0.04 2.71 2.78 1fpiA1 ASP 127 HB3 0.02 0.02 0.04 -0.04 2.70 2.74 1fpiA1 CYS 128 H 0.02 0.21 -0.45 -0.55 8.50 7.74 1fpiA1 CYS 128 HA 0.02 0.15 0.71 -0.75 4.58 4.70 1fpiA1 CYS 128 HB2 0.02 -0.00 0.06 -0.04 2.97 3.01 1fpiA1 CYS 128 HB3 0.02 -0.01 0.14 -0.04 2.97 3.08 1fpiA1 LEU 129 H 0.02 0.48 -0.31 -0.55 8.37 8.01 1fpiA1 LEU 129 HA 0.02 0.10 0.30 -0.75 4.35 4.01 1fpiA1 LEU 129 HB2 0.01 0.12 -0.01 -0.04 1.64 1.72 1fpiA1 LEU 129 HB3 0.01 -0.05 0.17 -0.04 1.64 1.73 1fpiA1 LEU 129 HG 0.01 0.03 -0.24 -0.04 1.64 1.39 1fpiA1 LEU 129 HD13 0.00 -0.02 -0.02 -0.04 0.93 0.85 1fpiA1 LEU 129 HD23 0.01 0.05 0.03 -0.04 0.89 0.94 1fpiA1 VAL 130 H 0.02 0.21 -0.31 -0.55 8.24 7.62 1fpiA1 VAL 130 HA 0.01 0.07 0.56 -0.75 4.13 4.02 1fpiA1 VAL 130 HB 0.01 -0.06 -0.02 -0.04 2.12 2.01 1fpiA1 VAL 130 HG13 -0.01 0.03 -0.08 -0.04 0.97 0.88 1fpiA1 VAL 130 HG23 0.01 0.02 -0.04 -0.04 0.95 0.90 1fpiA1 SER 131 H 0.01 0.02 0.12 -0.55 8.46 8.07 1fpiA1 SER 131 HA 0.04 0.30 0.42 -0.75 4.49 4.49 1fpiA1 SER 131 HB2 -0.01 -0.15 0.08 -0.04 3.95 3.84 1fpiA1 SER 131 HB3 -0.00 -0.00 -0.08 -0.04 3.93 3.80 1fpiA1 ILE 132 H 0.09 0.46 0.28 -0.55 8.25 8.52 1fpiA1 ILE 132 HA 0.01 0.06 0.84 -0.75 4.18 4.34 1fpiA1 ILE 132 HB 0.10 -0.04 0.09 -0.04 1.89 2.01 1fpiA1 ILE 132 HG12 0.13 0.13 0.04 -0.04 1.49 1.75 1fpiA1 ILE 132 HG13 0.33 -0.07 -0.12 -0.04 1.21 1.31 1fpiA1 ILE 132 HG23 0.05 0.05 -0.20 -0.04 0.93 0.79 1fpiA1 ILE 132 HD13 0.09 -0.01 -0.08 -0.04 0.88 0.84 1fpiA1 GLY 133 H 0.03 0.39 0.30 -0.55 8.43 8.60 1fpiA1 GLY 133 HA2 -0.49 0.11 0.64 -0.51 4.01 3.76 1fpiA1 GLY 133 HA3 -0.18 0.06 0.50 -0.51 4.01 3.88 1fpiA1 THR 134 H -0.15 0.54 0.44 -0.55 8.28 8.56 1fpiA1 THR 134 HA 0.13 0.29 0.96 -0.75 4.39 5.02 1fpiA1 THR 134 HB 0.14 -0.13 0.17 -0.04 4.32 4.46 1fpiA1 THR 134 HG23 0.20 -0.01 -0.07 -0.04 1.22 1.30 1fpiA1 ILE 135 H 0.18 0.54 0.37 -0.55 8.25 8.79 1fpiA1 ILE 135 HA 0.06 0.25 1.20 -0.75 4.18 4.93 1fpiA1 ILE 135 HB 0.13 0.08 0.26 -0.04 1.89 2.32 1fpiA1 ILE 135 HG12 -0.01 0.05 -0.20 -0.04 1.49 1.28 1fpiA1 ILE 135 HG13 0.05 -0.09 -0.18 -0.04 1.21 0.95 1fpiA1 ILE 135 HG23 0.02 0.00 -0.01 -0.04 0.93 0.89 1fpiA1 ILE 135 HD13 0.00 -0.03 -0.00 -0.04 0.88 0.81 1fpiA1 PHE 136 H -0.32 0.61 0.37 -0.55 8.34 8.45 1fpiA1 PHE 136 HA 0.15 0.31 1.09 -0.75 4.62 5.41 1fpiA1 PHE 136 HB2 0.02 0.03 -0.01 -0.04 3.15 3.16 1fpiA1 PHE 136 HB3 0.05 -0.04 -0.18 -0.04 3.06 2.85 1fpiA1 PHE 136 HD2 -0.03 -0.01 -0.36 -0.04 7.28 6.84 1fpiA1 PHE 136 HE2 -0.09 -0.01 -0.28 -0.04 7.38 6.96 1fpiA1 PHE 136 HZ -0.12 0.02 -0.19 -0.04 7.32 6.98 1fpiA1 GLY 137 H 0.21 0.70 0.45 -0.55 8.43 9.25 1fpiA1 GLY 137 HA2 -0.12 0.16 1.10 -0.51 4.01 4.63 1fpiA1 GLY 137 HA3 -0.11 0.04 0.42 -0.51 4.01 3.85 1fpiA1 ILE 138 H -0.20 0.88 0.47 -0.55 8.25 8.85 1fpiA1 ILE 138 HA -0.01 0.28 1.28 -0.75 4.18 4.98 1fpiA1 ILE 138 HB -0.10 -0.09 0.20 -0.04 1.89 1.85 1fpiA1 ILE 138 HG12 -0.02 0.02 -0.14 -0.04 1.49 1.31 1fpiA1 ILE 138 HG13 0.10 -0.09 -0.36 -0.04 1.21 0.81 1fpiA1 ILE 138 HG23 -0.11 -0.00 -0.12 -0.04 0.93 0.65 1fpiA1 ILE 138 HD13 -0.09 -0.01 -0.15 -0.04 0.88 0.59 1fpiA1 TYR 139 H 0.19 0.87 0.49 -0.55 8.29 9.29 1fpiA1 TYR 139 HA 0.08 0.18 1.05 -0.75 4.56 5.11 1fpiA1 TYR 139 HB2 0.07 -0.07 0.10 -0.04 3.06 3.12 1fpiA1 TYR 139 HB3 0.05 0.12 0.01 -0.04 2.98 3.12 1fpiA1 TYR 139 HD2 0.05 0.05 -0.15 -0.04 7.15 7.05 1fpiA1 TYR 139 HE2 0.03 -0.01 -0.17 -0.04 6.85 6.65 1fpiA1 ARG 140 H 0.23 0.31 0.20 -0.55 8.46 8.65 1fpiA1 ARG 140 HA 0.01 0.08 0.86 -0.75 4.34 4.54 1fpiA1 ARG 140 HB2 0.19 -0.05 0.10 -0.04 1.90 2.09 1fpiA1 ARG 140 HB3 0.08 0.04 0.15 -0.04 1.80 2.03 1fpiA1 ARG 140 HG2 -0.08 0.16 -0.09 -0.04 1.67 1.62 1fpiA1 ARG 140 HG3 -0.34 -0.04 0.06 -0.04 1.67 1.30 1fpiA1 ARG 140 HD2 0.07 -0.06 0.03 -0.04 3.22 3.21 1fpiA1 ARG 140 HD3 0.03 0.03 0.02 -0.04 3.22 3.25 1fpiA1 LYS 141 H -0.06 0.62 0.31 -0.55 8.42 8.73 1fpiA1 LYS 141 HA 0.01 -0.00 0.35 -0.75 4.32 3.92 1fpiA1 LYS 141 HB2 -0.01 -0.08 -0.01 -0.04 1.87 1.73 1fpiA1 LYS 141 HB3 -0.05 0.06 0.16 -0.04 1.79 1.92 1fpiA1 LYS 141 HG2 -0.02 0.01 -0.44 -0.04 1.46 0.97 1fpiA1 LYS 141 HG3 -0.01 -0.06 -0.13 -0.04 1.46 1.22 1fpiA1 LYS 141 HD2 -0.01 -0.07 -0.10 -0.04 1.69 1.47 1fpiA1 LYS 141 HD3 -0.02 0.04 -0.08 -0.04 1.68 1.58 1fpiA1 LYS 141 HE2 -0.01 0.13 -0.11 -0.04 2.99 2.96 1fpiA1 LYS 141 HE3 -0.02 -0.02 -0.31 -0.04 2.99 2.59 1fpiA1 ASN 142 H -0.02 0.17 0.17 -0.55 8.53 8.31 1fpiA1 ASN 142 HA -0.01 0.18 1.06 -0.75 4.76 5.23 1fpiA1 ASN 142 HB2 -0.00 -0.04 0.06 -0.04 2.88 2.86 1fpiA1 ASN 142 HB3 0.01 0.06 0.06 -0.04 2.79 2.88 1fpiA1 ASN 142 HD21 -0.05 0.05 0.08 -0.04 7.03 7.07 1fpiA1 ASN 142 HD22 -0.03 -0.04 0.36 -0.04 7.74 7.99 1fpiA1 SER 143 H -0.02 0.41 0.13 -0.55 8.46 8.44 1fpiA1 SER 143 HA -0.01 0.03 0.23 -0.75 4.49 3.98 1fpiA1 SER 143 HB2 -0.01 -0.15 0.15 -0.04 3.95 3.89 1fpiA1 SER 143 HB3 -0.02 0.32 0.51 -0.04 3.93 4.70 1fpiA1 THR 144 H -0.01 0.13 0.00 -0.55 8.28 7.85 1fpiA1 THR 144 HA -0.01 0.22 0.65 -0.75 4.39 4.49 1fpiA1 THR 144 HB -0.01 0.00 0.20 -0.04 4.32 4.48 1fpiA1 THR 144 HG23 -0.01 0.02 -0.09 -0.04 1.22 1.10 1fpiA1 ASP 145 H -0.01 0.25 -0.07 -0.55 8.40 8.02 1fpiA1 ASP 145 HA -0.01 0.16 0.64 -0.75 4.63 4.68 1fpiA1 ASP 145 HB2 -0.01 -0.04 0.10 -0.04 2.71 2.72 1fpiA1 ASP 145 HB3 -0.01 0.08 -0.11 -0.04 2.70 2.62 1fpiA1 GLU 146 H -0.00 0.09 0.09 -0.55 8.60 8.22 1fpiA1 GLU 146 HA -0.00 0.09 0.40 -0.75 4.29 4.02 1fpiA1 GLU 146 HB2 -0.00 -0.08 0.14 -0.04 2.09 2.11 1fpiA1 GLU 146 HB3 -0.00 0.09 -0.04 -0.04 1.99 1.99 1fpiA1 GLU 146 HG2 -0.00 -0.03 0.07 -0.04 2.34 2.34 1fpiA1 GLU 146 HG3 -0.00 -0.03 0.04 -0.04 2.34 2.31 1fpiA1 PRO 147 HA -0.01 -0.01 0.39 -0.51 4.44 4.31 1fpiA1 PRO 147 HB2 0.00 0.03 -0.12 -0.04 2.28 2.15 1fpiA1 PRO 147 HB3 -0.00 0.03 0.04 -0.04 2.02 2.04 1fpiA1 PRO 147 HG2 -0.00 -0.01 0.08 -0.04 2.03 2.06 1fpiA1 PRO 147 HG3 0.00 0.10 0.07 -0.04 2.03 2.16 1fpiA1 PRO 147 HD2 -0.00 0.02 0.21 -0.04 3.68 3.87 1fpiA1 PRO 147 HD3 -0.00 0.19 0.15 -0.04 3.65 3.95 1fpiA1 SER 148 H -0.01 0.19 0.17 -0.55 8.46 8.26 1fpiA1 SER 148 HA -0.00 0.17 0.51 -0.75 4.49 4.41 1fpiA1 SER 148 HB2 -0.01 -0.12 0.15 -0.04 3.95 3.93 1fpiA1 SER 148 HB3 -0.01 0.26 -0.21 -0.04 3.93 3.93 1fpiA1 GLU 149 H -0.01 0.23 0.13 -0.55 8.60 8.40 1fpiA1 GLU 149 HA -0.02 0.07 0.42 -0.75 4.29 4.01 1fpiA1 GLU 149 HB2 -0.02 0.05 0.08 -0.04 2.09 2.15 1fpiA1 GLU 149 HB3 -0.04 0.01 0.04 -0.04 1.99 1.96 1fpiA1 GLU 149 HG2 -0.02 -0.04 0.12 -0.04 2.34 2.36 1fpiA1 GLU 149 HG3 -0.01 0.06 0.13 -0.04 2.34 2.48 1fpiA1 LYS 150 H -0.02 0.09 -0.32 -0.55 8.42 7.61 1fpiA1 LYS 150 HA -0.04 0.09 0.32 -0.75 4.32 3.94 1fpiA1 LYS 150 HB2 -0.02 -0.04 0.04 -0.04 1.87 1.81 1fpiA1 LYS 150 HB3 -0.02 0.03 -0.11 -0.04 1.79 1.64 1fpiA1 LYS 150 HG2 -0.03 0.08 -0.08 -0.04 1.46 1.39 1fpiA1 LYS 150 HG3 -0.03 0.03 0.04 -0.04 1.46 1.46 1fpiA1 LYS 150 HD2 -0.02 -0.03 -0.01 -0.04 1.69 1.59 1fpiA1 LYS 150 HD3 -0.02 -0.00 -0.05 -0.04 1.68 1.57 1fpiA1 LYS 150 HE2 -0.02 0.04 -0.02 -0.04 2.99 2.94 1fpiA1 LYS 150 HE3 -0.02 0.02 -0.00 -0.04 2.99 2.95 1fpiA1 ASP 151 H -0.03 0.37 -0.49 -0.55 8.40 7.70 1fpiA1 ASP 151 HA -0.05 0.18 0.50 -0.75 4.63 4.50 1fpiA1 ASP 151 HB2 -0.01 0.08 -0.01 -0.04 2.71 2.73 1fpiA1 ASP 151 HB3 -0.02 -0.03 -0.04 -0.04 2.70 2.57 1fpiA1 ALA 152 H -0.05 0.44 -0.24 -0.55 8.40 8.00 1fpiA1 ALA 152 HA -0.11 0.09 0.54 -0.75 4.34 4.11 1fpiA1 ALA 152 HB3 -0.01 -0.01 -0.01 -0.04 1.41 1.35 1fpiA1 LEU 153 H -0.10 0.16 -0.35 -0.55 8.37 7.54 1fpiA1 LEU 153 HA -0.11 0.02 0.33 -0.75 4.35 3.84 1fpiA1 LEU 153 HB2 -0.07 0.13 0.10 -0.04 1.64 1.75 1fpiA1 LEU 153 HB3 -0.06 0.13 -0.03 -0.04 1.64 1.64 1fpiA1 LEU 153 HG -0.06 0.06 -0.15 -0.04 1.64 1.45 1fpiA1 LEU 153 HD13 -0.04 -0.01 -0.19 -0.04 0.93 0.64 1fpiA1 LEU 153 HD23 -0.06 -0.06 -0.51 -0.04 0.89 0.22 1fpiA1 GLN 154 H -0.38 0.57 -0.05 -0.55 8.47 8.06 1fpiA1 GLN 154 HA -0.12 0.18 0.84 -0.75 4.36 4.50 1fpiA1 GLN 154 HB2 -0.83 -0.03 -0.05 -0.04 2.15 1.20 1fpiA1 GLN 154 HB3 -0.16 0.02 0.02 -0.04 2.02 1.86 1fpiA1 GLN 154 HG2 -0.13 0.01 -0.10 -0.04 2.40 2.14 1fpiA1 GLN 154 HG3 -0.27 -0.01 -0.47 -0.04 2.39 1.60 1fpiA1 GLN 154 HE21 -0.02 -0.03 -0.08 -0.04 6.97 6.81 1fpiA1 GLN 154 HE22 -0.13 0.40 0.08 -0.04 7.69 8.01 1fpiA1 PRO 155 HA 0.03 0.22 0.49 -0.51 4.44 4.68 1fpiA1 PRO 155 HB2 0.05 0.04 0.00 -0.04 2.28 2.32 1fpiA1 PRO 155 HB3 0.02 0.11 -0.14 -0.04 2.02 1.97 1fpiA1 PRO 155 HG2 0.05 -0.08 0.07 -0.04 2.03 2.03 1fpiA1 PRO 155 HG3 0.02 0.06 0.05 -0.04 2.03 2.11 1fpiA1 PRO 155 HD2 -0.03 0.08 0.22 -0.04 3.68 3.92 1fpiA1 PRO 155 HD3 -0.02 0.16 0.17 -0.04 3.65 3.92 1fpiA1 GLY 156 H 0.09 0.18 0.15 -0.55 8.43 8.31 1fpiA1 GLY 156 HA2 0.23 0.06 0.34 -0.51 4.01 4.13 1fpiA1 GLY 156 HA3 0.13 -0.07 0.34 -0.51 4.01 3.90 1fpiA1 ARG 157 H 0.10 0.38 -0.39 -0.55 8.46 8.01 1fpiA1 ARG 157 HA 0.14 0.01 0.41 -0.75 4.34 4.14 1fpiA1 ARG 157 HB2 0.06 0.13 0.04 -0.04 1.90 2.09 1fpiA1 ARG 157 HB3 0.07 0.02 -0.07 -0.04 1.80 1.78 1fpiA1 ARG 157 HG2 0.04 -0.03 -0.03 -0.04 1.67 1.62 1fpiA1 ARG 157 HG3 0.07 0.03 0.03 -0.04 1.67 1.76 1fpiA1 ARG 157 HD2 0.03 0.01 -0.01 -0.04 3.22 3.21 1fpiA1 ARG 157 HD3 0.06 0.00 0.01 -0.04 3.22 3.25 1fpiA1 ASN 158 H 0.19 0.66 -0.33 -0.55 8.53 8.50 1fpiA1 ASN 158 HA 0.13 0.14 0.67 -0.75 4.76 4.95 1fpiA1 ASN 158 HB2 0.19 0.13 0.01 -0.04 2.88 3.18 1fpiA1 ASN 158 HB3 0.17 -0.07 0.15 -0.04 2.79 3.00 1fpiA1 ASN 158 HD21 0.02 -0.03 0.03 -0.04 7.03 7.01 1fpiA1 ASN 158 HD22 0.01 -0.00 0.04 -0.04 7.74 7.75 1fpiA1 LEU 159 H 0.14 0.38 -0.43 -0.55 8.37 7.91 1fpiA1 LEU 159 HA -0.25 0.01 0.41 -0.75 4.35 3.76 1fpiA1 LEU 159 HB2 -0.25 0.09 0.06 -0.04 1.64 1.49 1fpiA1 LEU 159 HB3 -0.71 -0.08 -0.14 -0.04 1.64 0.68 1fpiA1 LEU 159 HG -0.14 0.05 0.04 -0.04 1.64 1.54 1fpiA1 LEU 159 HD13 -0.20 -0.04 -0.11 -0.04 0.93 0.54 1fpiA1 LEU 159 HD23 -0.88 -0.01 -0.07 -0.04 0.89 -0.11 1fpiA1 VAL 160 H -0.14 0.70 0.52 -0.55 8.24 8.77 1fpiA1 VAL 160 HA 0.04 0.11 0.71 -0.75 4.13 4.24 1fpiA1 VAL 160 HB -0.01 -0.01 0.08 -0.04 2.12 2.13 1fpiA1 VAL 160 HG13 0.05 -0.03 -0.05 -0.04 0.97 0.90 1fpiA1 VAL 160 HG23 0.19 0.00 0.05 -0.04 0.95 1.15 1fpiA1 ALA 161 H -0.21 0.31 0.35 -0.55 8.40 8.30 1fpiA1 ALA 161 HA -0.16 0.29 0.71 -0.75 4.34 4.42 1fpiA1 ALA 161 HB3 -0.03 -0.01 0.01 -0.04 1.41 1.34 1fpiA1 ALA 162 H -0.14 0.70 0.41 -0.55 8.40 8.83 1fpiA1 ALA 162 HA -0.24 0.14 0.75 -0.75 4.34 4.23 1fpiA1 ALA 162 HB3 -0.32 0.00 0.11 -0.04 1.41 1.16 1fpiA1 GLY 163 H -0.72 0.58 0.44 -0.55 8.43 8.18 1fpiA1 GLY 163 HA2 -0.26 0.02 0.39 -0.51 4.01 3.65 1fpiA1 GLY 163 HA3 -0.52 0.20 0.73 -0.51 4.01 3.92 1fpiA1 TYR 164 H -0.53 0.52 0.43 -0.55 8.29 8.16 1fpiA1 TYR 164 HA -0.16 0.16 0.80 -0.75 4.56 4.60 1fpiA1 TYR 164 HB2 -0.12 0.06 0.15 -0.04 3.06 3.11 1fpiA1 TYR 164 HB3 -0.16 0.02 -0.07 -0.04 2.98 2.73 1fpiA1 TYR 164 HD2 -0.13 0.01 -0.37 -0.04 7.15 6.62 1fpiA1 TYR 164 HE2 -0.11 0.02 -0.14 -0.04 6.85 6.59 1fpiA1 ALA 165 H 0.08 0.55 0.42 -0.55 8.40 8.91 1fpiA1 ALA 165 HA -0.06 0.38 1.14 -0.75 4.34 5.04 1fpiA1 ALA 165 HB3 -0.01 -0.02 0.07 -0.04 1.41 1.42 1fpiA1 LEU 166 H -0.10 0.69 0.37 -0.55 8.37 8.78 1fpiA1 LEU 166 HA -0.27 0.17 1.08 -0.75 4.35 4.58 1fpiA1 LEU 166 HB2 -0.06 -0.00 -0.10 -0.04 1.64 1.44 1fpiA1 LEU 166 HB3 -0.16 0.00 0.17 -0.04 1.64 1.61 1fpiA1 LEU 166 HG -0.07 -0.03 -0.31 -0.04 1.64 1.19 1fpiA1 LEU 166 HD13 -0.08 0.03 -0.30 -0.04 0.93 0.54 1fpiA1 LEU 166 HD23 -0.15 0.01 -0.08 -0.04 0.89 0.63 1fpiA1 TYR 167 H -0.27 0.78 0.29 -0.55 8.29 8.54 1fpiA1 TYR 167 HA 0.03 0.10 0.79 -0.75 4.56 4.72 1fpiA1 TYR 167 HB2 0.02 -0.05 0.19 -0.04 3.06 3.19 1fpiA1 TYR 167 HB3 0.02 0.07 0.05 -0.04 2.98 3.08 1fpiA1 TYR 167 HD2 0.05 -0.00 -0.19 -0.04 7.15 6.96 1fpiA1 TYR 167 HE2 0.08 0.04 -0.12 -0.04 6.85 6.80 1fpiA1 GLY 168 H 0.06 0.49 -0.09 -0.55 8.43 8.35 1fpiA1 GLY 168 HA2 0.04 0.17 0.83 -0.51 4.01 4.55 1fpiA1 GLY 168 HA3 0.02 -0.09 0.37 -0.51 4.01 3.81 1fpiA1 SER 169 H 0.02 0.10 0.15 -0.55 8.46 8.19 1fpiA1 SER 169 HA 0.02 0.12 0.43 -0.75 4.49 4.30 1fpiA1 SER 169 HB2 0.01 0.04 0.08 -0.04 3.95 4.03 1fpiA1 SER 169 HB3 0.01 0.01 0.13 -0.04 3.93 4.04 1fpiA1 ALA 170 H 0.03 0.09 -0.21 -0.55 8.40 7.77 1fpiA1 ALA 170 HA 0.03 0.18 0.64 -0.75 4.34 4.44 1fpiA1 ALA 170 HB3 0.03 0.02 -0.06 -0.04 1.41 1.35 1fpiA1 THR 171 H 0.05 0.20 0.19 -0.55 8.28 8.18 1fpiA1 THR 171 HA 0.13 0.45 1.11 -0.75 4.39 5.32 1fpiA1 THR 171 HB 0.09 -0.04 0.16 -0.04 4.32 4.50 1fpiA1 THR 171 HG23 0.36 -0.01 -0.19 -0.04 1.22 1.34 1fpiA1 MET 172 H 0.04 0.44 0.39 -0.55 8.47 8.79 1fpiA1 MET 172 HA 0.19 0.26 1.09 -0.75 4.52 5.30 1fpiA1 MET 172 HB2 0.02 0.01 -0.19 -0.04 2.15 1.95 1fpiA1 MET 172 HB3 -0.11 -0.05 0.03 -0.04 2.03 1.86 1fpiA1 MET 172 HG2 -0.07 -0.03 -0.37 -0.04 2.63 2.12 1fpiA1 MET 172 HG3 0.04 0.09 -0.20 -0.04 2.56 2.45 1fpiA1 MET 172 HE3 0.04 -0.00 -0.19 -0.04 2.10 1.90 1fpiA1 LEU 173 H 0.09 0.77 0.39 -0.55 8.37 9.07 1fpiA1 LEU 173 HA -0.13 0.28 1.18 -0.75 4.35 4.92 1fpiA1 LEU 173 HB2 -0.57 -0.04 -0.00 -0.04 1.64 0.98 1fpiA1 LEU 173 HB3 -0.35 -0.06 0.14 -0.04 1.64 1.33 1fpiA1 LEU 173 HG -0.08 0.14 -0.10 -0.04 1.64 1.57 1fpiA1 LEU 173 HD13 -0.27 -0.02 -0.13 -0.04 0.93 0.47 1fpiA1 LEU 173 HD23 -0.30 -0.02 -0.18 -0.04 0.89 0.36 1fpiA1 VAL 174 H -0.43 0.75 0.38 -0.55 8.24 8.40 1fpiA1 VAL 174 HA -0.17 0.22 1.04 -0.75 4.13 4.47 1fpiA1 VAL 174 HB -1.32 -0.09 0.18 -0.04 2.12 0.85 1fpiA1 VAL 174 HG13 -0.18 0.02 -0.18 -0.04 0.97 0.59 1fpiA1 VAL 174 HG23 -0.22 -0.01 -0.15 -0.04 0.95 0.53 1fpiA1 LEU 175 H -0.02 0.66 0.34 -0.55 8.37 8.80 1fpiA1 LEU 175 HA -0.03 0.18 1.08 -0.75 4.35 4.83 1fpiA1 LEU 175 HB2 0.08 -0.06 -0.09 -0.04 1.64 1.53 1fpiA1 LEU 175 HB3 0.18 -0.01 0.12 -0.04 1.64 1.89 1fpiA1 LEU 175 HG 0.13 0.05 -0.20 -0.04 1.64 1.58 1fpiA1 LEU 175 HD13 0.16 0.01 -0.06 -0.04 0.93 1.00 1fpiA1 LEU 175 HD23 0.11 -0.02 -0.09 -0.04 0.89 0.85 1fpiA1 ALA 176 H 0.01 0.73 0.43 -0.55 8.40 9.03 1fpiA1 ALA 176 HA 0.09 0.31 1.17 -0.75 4.34 5.15 1fpiA1 ALA 176 HB3 0.16 0.01 -0.01 -0.04 1.41 1.52 1fpiA1 MET 177 H 0.15 0.65 0.37 -0.55 8.47 9.09 1fpiA1 MET 177 HA 0.21 0.26 0.82 -0.75 4.52 5.06 1fpiA1 MET 177 HB2 0.13 -0.07 0.08 -0.04 2.15 2.25 1fpiA1 MET 177 HB3 0.10 0.01 0.23 -0.04 2.03 2.33 1fpiA1 MET 177 HG2 0.08 0.10 -0.01 -0.04 2.63 2.76 1fpiA1 MET 177 HG3 0.15 -0.08 -0.38 -0.04 2.56 2.21 1fpiA1 MET 177 HE3 0.01 0.01 -0.04 -0.04 2.10 2.03 1fpiA1 VAL 178 H 0.14 0.25 0.20 -0.55 8.24 8.28 1fpiA1 VAL 178 HA 0.07 0.11 0.39 -0.75 4.13 3.94 1fpiA1 VAL 178 HB 0.10 0.08 0.18 -0.04 2.12 2.44 1fpiA1 VAL 178 HG13 0.06 -0.01 0.02 -0.04 0.97 1.00 1fpiA1 VAL 178 HG23 0.04 0.01 0.01 -0.04 0.95 0.98 1fpiA1 ASN 179 H 0.08 -0.05 -0.34 -0.55 8.53 7.66 1fpiA1 ASN 179 HA 0.03 0.12 0.49 -0.75 4.76 4.65 1fpiA1 ASN 179 HB2 0.05 0.01 0.02 -0.04 2.88 2.92 1fpiA1 ASN 179 HB3 0.04 -0.01 0.05 -0.04 2.79 2.82 1fpiA1 ASN 179 HD21 0.26 -0.04 -0.14 -0.04 7.03 7.07 1fpiA1 ASN 179 HD22 0.14 0.02 -0.25 -0.04 7.74 7.60 1fpiA1 GLY 180 H 0.07 0.29 -0.05 -0.55 8.43 8.19 1fpiA1 GLY 180 HA2 0.01 0.19 0.28 -0.51 4.01 3.98 1fpiA1 GLY 180 HA3 0.03 0.08 0.66 -0.51 4.01 4.27 1fpiA1 VAL 181 H 0.00 0.28 0.18 -0.55 8.24 8.15 1fpiA1 VAL 181 HA 0.02 0.29 1.22 -0.75 4.13 4.90 1fpiA1 VAL 181 HB -0.02 0.14 0.10 -0.04 2.12 2.30 1fpiA1 VAL 181 HG13 -0.04 -0.03 -0.24 -0.04 0.97 0.63 1fpiA1 VAL 181 HG23 0.01 0.03 -0.16 -0.04 0.95 0.78 1fpiA1 ASN 182 H -0.06 0.71 0.38 -0.55 8.53 9.02 1fpiA1 ASN 182 HA -0.22 0.18 1.11 -0.75 4.76 5.08 1fpiA1 ASN 182 HB2 -0.29 -0.01 0.09 -0.04 2.88 2.63 1fpiA1 ASN 182 HB3 -0.74 0.02 0.03 -0.04 2.79 2.07 1fpiA1 ASN 182 HD21 0.17 0.05 -0.21 -0.04 7.03 7.00 1fpiA1 ASN 182 HD22 0.13 0.06 -0.24 -0.04 7.74 7.66 1fpiA1 CYS 183 H -0.34 0.82 0.41 -0.55 8.50 8.84 1fpiA1 CYS 183 HA -0.21 0.22 1.18 -0.75 4.58 5.01 1fpiA1 CYS 183 HB2 -0.13 -0.05 0.15 -0.04 2.97 2.90 1fpiA1 CYS 183 HB3 -0.06 -0.01 -0.02 -0.04 2.97 2.85 1fpiA1 PHE 184 H 0.03 0.87 0.41 -0.55 8.34 9.10 1fpiA1 PHE 184 HA -0.01 0.28 1.10 -0.75 4.62 5.23 1fpiA1 PHE 184 HB2 -0.17 -0.02 0.12 -0.04 3.15 3.04 1fpiA1 PHE 184 HB3 0.10 -0.09 -0.25 -0.04 3.06 2.77 1fpiA1 PHE 184 HD2 -0.14 0.07 -0.32 -0.04 7.28 6.84 1fpiA1 PHE 184 HE2 -0.34 0.02 -0.17 -0.04 7.38 6.85 1fpiA1 PHE 184 HZ -1.77 0.02 -0.13 -0.04 7.32 5.39 1fpiA1 MET 185 H 0.15 0.67 0.36 -0.55 8.47 9.10 1fpiA1 MET 185 HA 0.16 0.16 0.85 -0.75 4.52 4.93 1fpiA1 MET 185 HB2 0.05 -0.01 0.07 -0.04 2.15 2.23 1fpiA1 MET 185 HB3 0.06 -0.02 0.14 -0.04 2.03 2.17 1fpiA1 MET 185 HG2 0.03 -0.01 -0.06 -0.04 2.63 2.55 1fpiA1 MET 185 HG3 0.04 0.11 -0.17 -0.04 2.56 2.50 1fpiA1 MET 185 HE3 0.03 0.00 -0.05 -0.04 2.10 2.04 1fpiA1 LEU 186 H 0.09 0.69 0.36 -0.55 8.37 8.97 1fpiA1 LEU 186 HA -0.36 0.08 0.65 -0.75 4.35 3.96 1fpiA1 LEU 186 HB2 -0.70 -0.04 -0.06 -0.04 1.64 0.81 1fpiA1 LEU 186 HB3 -0.08 0.05 0.21 -0.04 1.64 1.77 1fpiA1 LEU 186 HG -0.19 -0.04 -0.42 -0.04 1.64 0.95 1fpiA1 LEU 186 HD13 -0.61 0.01 -0.26 -0.04 0.93 0.03 1fpiA1 LEU 186 HD23 -0.14 0.00 -0.08 -0.04 0.89 0.63 1fpiA1 ASP 187 H -0.14 0.64 0.33 -0.55 8.40 8.68 1fpiA1 ASP 187 HA -0.04 0.18 0.77 -0.75 4.63 4.79 1fpiA1 ASP 187 HB2 -0.02 0.09 0.15 -0.04 2.71 2.88 1fpiA1 ASP 187 HB3 -0.05 -0.05 0.29 -0.04 2.70 2.85 1fpiA1 PRO 188 HA -0.10 0.05 0.42 -0.51 4.44 4.30 1fpiA1 PRO 188 HB2 -0.04 0.07 -0.02 -0.04 2.28 2.25 1fpiA1 PRO 188 HB3 -0.05 0.03 0.07 -0.04 2.02 2.03 1fpiA1 PRO 188 HG2 -0.03 0.00 0.02 -0.04 2.03 1.98 1fpiA1 PRO 188 HG3 -0.03 0.09 0.08 -0.04 2.03 2.14 1fpiA1 PRO 188 HD2 -0.04 0.06 0.32 -0.04 3.68 3.98 1fpiA1 PRO 188 HD3 -0.05 0.36 0.19 -0.04 3.65 4.11 1fpiA1 ALA 189 H -0.04 0.07 -0.34 -0.55 8.40 7.54 1fpiA1 ALA 189 HA -0.03 0.15 0.55 -0.75 4.34 4.26 1fpiA1 ALA 189 HB3 -0.02 0.01 0.03 -0.04 1.41 1.39 1fpiA1 ILE 190 H -0.05 0.12 -0.14 -0.55 8.25 7.64 1fpiA1 ILE 190 HA -0.03 0.28 0.88 -0.75 4.18 4.56 1fpiA1 ILE 190 HB -0.02 0.02 0.07 -0.04 1.89 1.92 1fpiA1 ILE 190 HG12 -0.03 -0.07 0.03 -0.04 1.49 1.38 1fpiA1 ILE 190 HG13 -0.04 -0.03 -0.20 -0.04 1.21 0.90 1fpiA1 ILE 190 HG23 -0.02 -0.00 -0.13 -0.04 0.93 0.74 1fpiA1 ILE 190 HD13 -0.01 0.00 -0.05 -0.04 0.88 0.78 1fpiA1 GLY 191 H -0.08 0.14 -0.17 -0.55 8.43 7.78 1fpiA1 GLY 191 HA2 -0.14 -0.01 0.26 -0.51 4.01 3.61 1fpiA1 GLY 191 HA3 -0.08 0.06 0.34 -0.51 4.01 3.83 1fpiA1 GLU 192 H -0.14 0.30 0.02 -0.55 8.60 8.24 1fpiA1 GLU 192 HA -0.05 0.12 0.75 -0.75 4.29 4.35 1fpiA1 GLU 192 HB2 -0.03 0.16 -0.29 -0.04 2.09 1.90 1fpiA1 GLU 192 HB3 -0.02 -0.04 -0.08 -0.04 1.99 1.81 1fpiA1 GLU 192 HG2 0.02 0.01 -0.06 -0.04 2.34 2.27 1fpiA1 GLU 192 HG3 0.04 -0.13 0.04 -0.04 2.34 2.25 1fpiA1 PHE 193 H 0.14 0.08 0.13 -0.55 8.34 8.14 1fpiA1 PHE 193 HA 0.04 0.26 0.62 -0.75 4.62 4.79 1fpiA1 PHE 193 HB2 -0.11 -0.16 0.14 -0.04 3.15 2.98 1fpiA1 PHE 193 HB3 0.03 0.04 -0.16 -0.04 3.06 2.93 1fpiA1 PHE 193 HD2 0.00 0.02 -0.26 -0.04 7.28 7.00 1fpiA1 PHE 193 HE2 0.01 0.09 -0.15 -0.04 7.38 7.30 1fpiA1 PHE 193 HZ 0.05 0.01 -0.21 -0.04 7.32 7.12 1fpiA1 ILE 194 H 0.18 0.91 0.35 -0.55 8.25 9.14 1fpiA1 ILE 194 HA 0.16 0.21 0.97 -0.75 4.18 4.77 1fpiA1 ILE 194 HB 0.07 -0.03 0.12 -0.04 1.89 2.02 1fpiA1 ILE 194 HG12 0.04 0.07 0.04 -0.04 1.49 1.59 1fpiA1 ILE 194 HG13 0.03 0.01 -0.02 -0.04 1.21 1.19 1fpiA1 ILE 194 HG23 0.05 0.04 -0.09 -0.04 0.93 0.88 1fpiA1 ILE 194 HD13 0.05 -0.01 -0.29 -0.04 0.88 0.58 1fpiA1 LEU 195 H 0.18 0.64 0.26 -0.55 8.37 8.91 1fpiA1 LEU 195 HA -0.38 0.11 0.58 -0.75 4.35 3.91 1fpiA1 LEU 195 HB2 0.13 -0.04 -0.02 -0.04 1.64 1.66 1fpiA1 LEU 195 HB3 0.02 -0.02 0.21 -0.04 1.64 1.81 1fpiA1 LEU 195 HG -0.18 0.01 -0.26 -0.04 1.64 1.17 1fpiA1 LEU 195 HD13 -0.89 0.03 -0.12 -0.04 0.93 -0.09 1fpiA1 LEU 195 HD23 0.02 -0.01 -0.07 -0.04 0.89 0.79 1fpiA1 VAL 196 H -0.17 0.44 0.46 -0.55 8.24 8.42 1fpiA1 VAL 196 HA -0.04 0.20 0.91 -0.75 4.13 4.45 1fpiA1 VAL 196 HB -0.02 0.01 0.08 -0.04 2.12 2.16 1fpiA1 VAL 196 HG13 0.01 0.02 -0.07 -0.04 0.97 0.90 1fpiA1 VAL 196 HG23 -0.04 0.00 -0.03 -0.04 0.95 0.85 1fpiA1 ASP 197 H -0.22 0.28 0.16 -0.55 8.40 8.07 1fpiA1 ASP 197 HA -0.08 0.17 0.73 -0.75 4.63 4.69 1fpiA1 ASP 197 HB2 -0.06 -0.00 -0.24 -0.04 2.71 2.37 1fpiA1 ASP 197 HB3 -0.10 -0.13 0.11 -0.04 2.70 2.54 1fpiA1 ARG 198 H -0.08 0.25 0.11 -0.55 8.46 8.18 1fpiA1 ARG 198 HA -0.16 0.11 1.18 -0.75 4.34 4.71 1fpiA1 ARG 198 HB2 -0.02 0.02 0.01 -0.04 1.90 1.87 1fpiA1 ARG 198 HB3 -0.10 -0.05 -0.06 -0.04 1.80 1.55 1fpiA1 ARG 198 HG2 -0.04 -0.02 0.04 -0.04 1.67 1.61 1fpiA1 ARG 198 HG3 -0.01 0.08 -0.09 -0.04 1.67 1.61 1fpiA1 ARG 198 HD2 0.00 -0.02 -0.06 -0.04 3.22 3.10 1fpiA1 ARG 198 HD3 0.01 0.03 -0.04 -0.04 3.22 3.18 1fpiA1 ASN 199 H -0.04 0.10 0.15 -0.55 8.53 8.19 1fpiA1 ASN 199 HA -0.01 -0.02 0.41 -0.75 4.76 4.38 1fpiA1 ASN 199 HB2 -0.00 -0.05 -0.20 -0.04 2.88 2.59 1fpiA1 ASN 199 HB3 -0.00 0.05 0.27 -0.04 2.79 3.06 1fpiA1 ASN 199 HD21 0.02 0.17 0.13 -0.04 7.03 7.30 1fpiA1 ASN 199 HD22 0.00 0.04 0.09 -0.04 7.74 7.84 1fpiA1 VAL 200 H -0.05 0.42 0.05 -0.55 8.24 8.11 1fpiA1 VAL 200 HA -0.03 0.05 0.37 -0.75 4.13 3.77 1fpiA1 VAL 200 HB -0.04 -0.07 -0.03 -0.04 2.12 1.94 1fpiA1 VAL 200 HG13 -0.03 -0.00 -0.27 -0.04 0.97 0.63 1fpiA1 VAL 200 HG23 -0.06 -0.02 -0.18 -0.04 0.95 0.64 1fpiA1 LYS 201 H -0.02 0.18 0.25 -0.55 8.42 8.27 1fpiA1 LYS 201 HA -0.02 0.34 1.02 -0.75 4.32 4.91 1fpiA1 LYS 201 HB2 -0.02 -0.11 0.16 -0.04 1.87 1.87 1fpiA1 LYS 201 HB3 -0.02 0.07 0.13 -0.04 1.79 1.94 1fpiA1 LYS 201 HG2 -0.01 0.12 -0.11 -0.04 1.46 1.41 1fpiA1 LYS 201 HG3 -0.01 -0.09 0.02 -0.04 1.46 1.33 1fpiA1 LYS 201 HD2 -0.02 -0.02 -0.06 -0.04 1.69 1.55 1fpiA1 LYS 201 HD3 -0.02 0.19 -0.02 -0.04 1.68 1.79 1fpiA1 LYS 201 HE2 -0.01 -0.01 -0.10 -0.04 2.99 2.83 1fpiA1 LYS 201 HE3 -0.01 -0.10 -0.01 -0.04 2.99 2.83 1fpiA1 ILE 202 H -0.01 0.53 0.17 -0.55 8.25 8.38 1fpiA1 ILE 202 HA -0.02 0.18 0.59 -0.75 4.18 4.18 1fpiA1 ILE 202 HB -0.01 -0.05 -0.01 -0.04 1.89 1.78 1fpiA1 ILE 202 HG12 -0.01 0.00 0.03 -0.04 1.49 1.47 1fpiA1 ILE 202 HG13 -0.01 0.16 0.11 -0.04 1.21 1.43 1fpiA1 ILE 202 HG23 -0.00 0.04 -0.39 -0.04 0.93 0.53 1fpiA1 ILE 202 HD13 0.02 -0.04 -0.27 -0.04 0.88 0.55 1fpiA1 LYS 203 H -0.03 0.09 0.06 -0.55 8.42 7.98 1fpiA1 LYS 203 HA -0.04 0.10 0.42 -0.75 4.32 4.05 1fpiA1 LYS 203 HB2 -0.07 -0.14 -0.02 -0.04 1.87 1.61 1fpiA1 LYS 203 HB3 -0.07 -0.03 -0.16 -0.04 1.79 1.49 1fpiA1 LYS 203 HG2 -0.07 0.03 -0.02 -0.04 1.46 1.36 1fpiA1 LYS 203 HG3 -0.12 0.08 -0.20 -0.04 1.46 1.19 1fpiA1 LYS 203 HD2 -0.17 0.03 -0.01 -0.04 1.69 1.50 1fpiA1 LYS 203 HD3 -0.10 -0.05 0.03 -0.04 1.68 1.51 1fpiA1 LYS 203 HE2 -0.17 -0.05 0.03 -0.04 2.99 2.76 1fpiA1 LYS 203 HE3 -0.16 0.01 0.00 -0.04 2.99 2.80 1fpiA1 LYS 204 H -0.02 0.15 0.18 -0.55 8.42 8.18 1fpiA1 LYS 204 HA 0.00 0.15 0.53 -0.75 4.32 4.25 1fpiA1 LYS 204 HB2 -0.01 -0.01 0.20 -0.04 1.87 2.02 1fpiA1 LYS 204 HB3 0.01 -0.04 -0.00 -0.04 1.79 1.71 1fpiA1 LYS 204 HG2 -0.00 0.01 0.11 -0.04 1.46 1.54 1fpiA1 LYS 204 HG3 -0.01 0.08 0.11 -0.04 1.46 1.60 1fpiA1 LYS 204 HD2 -0.00 0.01 0.06 -0.04 1.69 1.71 1fpiA1 LYS 204 HD3 0.00 -0.04 0.03 -0.04 1.68 1.64 1fpiA1 LYS 204 HE2 -0.00 -0.00 0.04 -0.04 2.99 2.98 1fpiA1 LYS 204 HE3 -0.00 0.04 0.04 -0.04 2.99 3.03 1fpiA1 LYS 205 H -0.02 0.21 -0.02 -0.55 8.42 8.04 1fpiA1 LYS 205 HA 0.05 -0.01 0.72 -0.75 4.32 4.32 1fpiA1 LYS 205 HB2 0.04 -0.04 -0.14 -0.04 1.87 1.68 1fpiA1 LYS 205 HB3 0.01 0.03 0.09 -0.04 1.79 1.88 1fpiA1 LYS 205 HG2 0.09 0.26 -0.14 -0.04 1.46 1.64 1fpiA1 LYS 205 HG3 0.13 -0.07 -0.06 -0.04 1.46 1.41 1fpiA1 LYS 205 HD2 0.06 -0.05 -0.06 -0.04 1.69 1.61 1fpiA1 LYS 205 HD3 0.05 0.00 -0.05 -0.04 1.68 1.65 1fpiA1 LYS 205 HE2 0.10 -0.01 -0.05 -0.04 2.99 2.99 1fpiA1 LYS 205 HE3 0.23 0.10 -0.06 -0.04 2.99 3.22 1fpiA1 GLY 206 H 0.03 0.02 0.05 -0.55 8.43 7.98 1fpiA1 GLY 206 HA2 -0.16 0.28 0.67 -0.51 4.01 4.29 1fpiA1 GLY 206 HA3 -0.08 -0.05 0.05 -0.51 4.01 3.42 1fpiA1 SER 207 H -0.22 0.25 0.07 -0.55 8.46 8.01 1fpiA1 SER 207 HA -1.26 0.22 0.79 -0.75 4.49 3.48 1fpiA1 SER 207 HB2 -0.24 0.03 0.21 -0.04 3.95 3.91 1fpiA1 SER 207 HB3 -0.27 0.07 -0.10 -0.04 3.93 3.59 1fpiA1 ILE 208 H -0.12 0.09 0.09 -0.55 8.25 7.75 1fpiA1 ILE 208 HA 0.10 0.38 0.99 -0.75 4.18 4.89 1fpiA1 ILE 208 HB 0.12 0.02 0.05 -0.04 1.89 2.04 1fpiA1 ILE 208 HG12 0.06 0.05 -0.08 -0.04 1.49 1.49 1fpiA1 ILE 208 HG13 0.14 -0.11 -0.43 -0.04 1.21 0.77 1fpiA1 ILE 208 HG23 0.05 -0.00 -0.25 -0.04 0.93 0.69 1fpiA1 ILE 208 HD13 0.12 0.00 -0.10 -0.04 0.88 0.86 1fpiA1 TYR 209 H 0.20 0.56 0.27 -0.55 8.29 8.77 1fpiA1 TYR 209 HA 0.22 0.17 0.99 -0.75 4.56 5.19 1fpiA1 TYR 209 HB2 0.19 -0.02 0.04 -0.04 3.06 3.23 1fpiA1 TYR 209 HB3 0.24 0.01 -0.05 -0.04 2.98 3.14 1fpiA1 TYR 209 HD2 0.13 -0.02 -0.20 -0.04 7.15 7.03 1fpiA1 TYR 209 HE2 0.04 0.10 -0.16 -0.04 6.85 6.78 1fpiA1 SER 210 H 0.25 0.65 0.36 -0.55 8.46 9.17 1fpiA1 SER 210 HA 0.10 0.18 0.99 -0.75 4.49 5.01 1fpiA1 SER 210 HB2 0.24 0.04 -0.00 -0.04 3.95 4.19 1fpiA1 SER 210 HB3 0.45 -0.13 0.25 -0.04 3.93 4.46 1fpiA1 ILE 211 H 0.03 0.30 0.14 -0.55 8.25 8.17 1fpiA1 ILE 211 HA -0.24 0.17 0.55 -0.75 4.18 3.91 1fpiA1 ILE 211 HB -0.06 0.15 -0.12 -0.04 1.89 1.82 1fpiA1 ILE 211 HG12 -0.05 -0.03 -0.34 -0.04 1.49 1.03 1fpiA1 ILE 211 HG13 -0.28 0.07 0.08 -0.04 1.21 1.04 1fpiA1 ILE 211 HG23 0.15 -0.02 -0.25 -0.04 0.93 0.77 1fpiA1 ILE 211 HD13 -0.56 0.00 -0.13 -0.04 0.88 0.16 1fpiA1 ASN 212 H -0.55 0.25 0.10 -0.55 8.53 7.79 1fpiA1 ASN 212 HA -0.64 0.13 0.71 -0.75 4.76 4.20 1fpiA1 ASN 212 HB2 -0.51 0.03 0.12 -0.04 2.88 2.48 1fpiA1 ASN 212 HB3 -0.06 0.04 0.22 -0.04 2.79 2.95 1fpiA1 ASN 212 HD21 -0.18 0.06 -0.02 -0.04 7.03 6.84 1fpiA1 ASN 212 HD22 0.18 0.01 0.01 -0.04 7.74 7.90 1fpiA1 GLU 213 H -0.11 0.39 0.10 -0.55 8.60 8.43 1fpiA1 GLU 213 HA 0.21 0.09 0.34 -0.75 4.29 4.18 1fpiA1 GLU 213 HB2 0.01 0.04 0.07 -0.04 2.09 2.17 1fpiA1 GLU 213 HB3 0.05 0.02 0.10 -0.04 1.99 2.12 1fpiA1 GLU 213 HG2 0.25 -0.02 -0.08 -0.04 2.34 2.45 1fpiA1 GLU 213 HG3 0.12 0.08 -0.03 -0.04 2.34 2.47 1fpiA1 GLY 214 H -0.23 0.05 -0.63 -0.55 8.43 7.07 1fpiA1 GLY 214 HA2 -0.18 0.13 0.41 -0.51 4.01 3.86 1fpiA1 GLY 214 HA3 -0.31 0.05 0.25 -0.51 4.01 3.49 1fpiA1 TYR 215 H -0.26 0.28 -0.62 -0.55 8.29 7.15 1fpiA1 TYR 215 HA -0.24 0.19 0.78 -0.75 4.56 4.54 1fpiA1 TYR 215 HB2 -0.22 0.13 -0.04 -0.04 3.06 2.89 1fpiA1 TYR 215 HB3 -0.22 -0.07 0.08 -0.04 2.98 2.74 1fpiA1 TYR 215 HD2 -0.07 0.06 0.00 -0.04 7.15 7.11 1fpiA1 TYR 215 HE2 0.01 -0.01 -0.03 -0.04 6.85 6.78 1fpiA1 ALA 216 H -0.42 0.51 -0.20 -0.55 8.40 7.75 1fpiA1 ALA 216 HA -0.99 0.02 0.38 -0.75 4.34 2.99 1fpiA1 ALA 216 HB3 -0.14 0.04 0.09 -0.04 1.41 1.36 1fpiA1 LYS 217 H -0.20 0.10 -0.34 -0.55 8.42 7.43 1fpiA1 LYS 217 HA -0.08 0.08 0.29 -0.75 4.32 3.85 1fpiA1 LYS 217 HB2 -0.08 -0.02 0.04 -0.04 1.87 1.78 1fpiA1 LYS 217 HB3 -0.07 -0.01 -0.04 -0.04 1.79 1.62 1fpiA1 LYS 217 HG2 -0.03 0.01 -0.05 -0.04 1.46 1.34 1fpiA1 LYS 217 HG3 -0.04 0.02 0.06 -0.04 1.46 1.46 1fpiA1 LYS 217 HD2 -0.03 -0.00 -0.00 -0.04 1.69 1.61 1fpiA1 LYS 217 HD3 -0.03 -0.01 -0.01 -0.04 1.68 1.59 1fpiA1 LYS 217 HE2 -0.02 0.01 -0.00 -0.04 2.99 2.94 1fpiA1 LYS 217 HE3 -0.02 -0.00 -0.01 -0.04 2.99 2.92 1fpiA1 GLU 218 H -0.24 0.51 -0.46 -0.55 8.60 7.87 1fpiA1 GLU 218 HA -0.02 0.18 0.79 -0.75 4.29 4.49 1fpiA1 GLU 218 HB2 -0.03 0.04 -0.01 -0.04 2.09 2.05 1fpiA1 GLU 218 HB3 -0.02 -0.21 0.15 -0.04 1.99 1.87 1fpiA1 GLU 218 HG2 -0.06 -0.06 -0.03 -0.04 2.34 2.15 1fpiA1 GLU 218 HG3 0.04 -0.05 0.05 -0.04 2.34 2.34 1fpiA1 PHE 219 H -0.18 0.36 -0.07 -0.55 8.34 7.90 1fpiA1 PHE 219 HA -0.03 0.04 0.47 -0.75 4.62 4.35 1fpiA1 PHE 219 HB2 -0.03 0.12 0.08 -0.04 3.15 3.28 1fpiA1 PHE 219 HB3 -0.05 -0.09 0.01 -0.04 3.06 2.90 1fpiA1 PHE 219 HD2 -0.03 0.05 -0.14 -0.04 7.28 7.12 1fpiA1 PHE 219 HE2 -0.02 -0.02 -0.15 -0.04 7.38 7.15 1fpiA1 PHE 219 HZ -0.03 0.13 -0.25 -0.04 7.32 7.12 1fpiA1 ASP 220 H 0.06 0.04 0.19 -0.55 8.40 8.14 1fpiA1 ASP 220 HA 0.01 0.23 0.62 -0.75 4.63 4.74 1fpiA1 ASP 220 HB2 -0.06 0.07 0.14 -0.04 2.71 2.82 1fpiA1 ASP 220 HB3 0.01 0.10 0.13 -0.04 2.70 2.90 1fpiA1 PRO 221 HA -0.08 0.08 0.32 -0.51 4.44 4.25 1fpiA1 PRO 221 HB2 -0.05 0.07 -0.04 -0.04 2.28 2.22 1fpiA1 PRO 221 HB3 0.02 0.07 0.10 -0.04 2.02 2.16 1fpiA1 PRO 221 HG2 -0.14 -0.00 0.10 -0.04 2.03 1.94 1fpiA1 PRO 221 HG3 0.05 0.11 0.09 -0.04 2.03 2.24 1fpiA1 PRO 221 HD2 -0.04 0.09 0.25 -0.04 3.68 3.93 1fpiA1 PRO 221 HD3 -0.01 0.20 0.20 -0.04 3.65 3.99 1fpiA1 ALA 222 H -0.47 0.14 -0.24 -0.55 8.40 7.29 1fpiA1 ALA 222 HA -0.70 0.16 0.44 -0.75 4.34 3.49 1fpiA1 ALA 222 HB3 -0.97 0.03 -0.09 -0.04 1.41 0.34 1fpiA1 ILE 223 H -0.34 0.14 -0.14 -0.55 8.25 7.37 1fpiA1 ILE 223 HA -0.16 0.05 0.42 -0.75 4.18 3.74 1fpiA1 ILE 223 HB -0.19 0.09 0.10 -0.04 1.89 1.84 1fpiA1 ILE 223 HG12 -0.15 -0.03 0.03 -0.04 1.49 1.31 1fpiA1 ILE 223 HG13 -0.19 0.03 0.03 -0.04 1.21 1.03 1fpiA1 ILE 223 HG23 -0.63 0.01 -0.19 -0.04 0.93 0.08 1fpiA1 ILE 223 HD13 -0.08 0.01 -0.05 -0.04 0.88 0.71 1fpiA1 THR 224 H -0.08 0.50 -0.23 -0.55 8.28 7.93 1fpiA1 THR 224 HA 0.09 -0.01 0.32 -0.75 4.39 4.04 1fpiA1 THR 224 HB -0.03 0.11 -0.01 -0.04 4.32 4.34 1fpiA1 THR 224 HG23 0.03 -0.01 -0.12 -0.04 1.22 1.08 1fpiA1 GLU 225 H -0.11 0.44 -0.35 -0.55 8.60 8.04 1fpiA1 GLU 225 HA -0.02 0.04 0.47 -0.75 4.29 4.02 1fpiA1 GLU 225 HB2 -0.04 0.08 0.12 -0.04 2.09 2.22 1fpiA1 GLU 225 HB3 -0.09 0.08 0.14 -0.04 1.99 2.08 1fpiA1 GLU 225 HG2 0.02 -0.02 -0.20 -0.04 2.34 2.10 1fpiA1 GLU 225 HG3 0.01 -0.03 0.02 -0.04 2.34 2.30 1fpiA1 TYR 226 H 0.02 0.51 -0.13 -0.55 8.29 8.14 1fpiA1 TYR 226 HA -0.11 0.05 0.40 -0.75 4.56 4.13 1fpiA1 TYR 226 HB2 -0.12 0.05 0.10 -0.04 3.06 3.05 1fpiA1 TYR 226 HB3 -0.15 0.05 0.13 -0.04 2.98 2.97 1fpiA1 TYR 226 HD2 -0.11 0.01 -0.14 -0.04 7.15 6.87 1fpiA1 TYR 226 HE2 -0.05 -0.01 -0.10 -0.04 6.85 6.65 1fpiA1 ILE 227 H -0.02 0.54 -0.13 -0.55 8.25 8.09 1fpiA1 ILE 227 HA -0.47 -0.00 0.36 -0.75 4.18 3.31 1fpiA1 ILE 227 HB -0.01 0.14 0.07 -0.04 1.89 2.05 1fpiA1 ILE 227 HG12 -0.05 -0.07 -0.05 -0.04 1.49 1.29 1fpiA1 ILE 227 HG13 -0.02 0.12 0.03 -0.04 1.21 1.30 1fpiA1 ILE 227 HG23 -0.03 -0.01 -0.17 -0.04 0.93 0.68 1fpiA1 ILE 227 HD13 0.07 -0.03 -0.13 -0.04 0.88 0.76 1fpiA1 GLN 228 H -0.06 0.44 -0.28 -0.55 8.47 8.02 1fpiA1 GLN 228 HA 0.07 -0.03 0.42 -0.75 4.36 4.07 1fpiA1 GLN 228 HB2 -0.00 0.05 0.14 -0.04 2.15 2.30 1fpiA1 GLN 228 HB3 -0.03 0.18 0.14 -0.04 2.02 2.28 1fpiA1 GLN 228 HG2 -0.04 -0.03 -0.01 -0.04 2.40 2.28 1fpiA1 GLN 228 HG3 0.00 0.05 -0.12 -0.04 2.39 2.28 1fpiA1 GLN 228 HE21 -0.46 -0.03 0.00 -0.04 6.97 6.44 1fpiA1 GLN 228 HE22 -0.29 0.04 0.01 -0.04 7.69 7.41 1fpiA1 ARG 229 H -0.15 0.43 -0.32 -0.55 8.46 7.87 1fpiA1 ARG 229 HA -0.07 0.15 0.38 -0.75 4.34 4.05 1fpiA1 ARG 229 HB2 -0.30 0.16 0.11 -0.04 1.90 1.82 1fpiA1 ARG 229 HB3 -0.16 -0.10 0.02 -0.04 1.80 1.51 1fpiA1 ARG 229 HG2 -0.05 -0.04 0.02 -0.04 1.67 1.56 1fpiA1 ARG 229 HG3 -0.06 0.47 0.08 -0.04 1.67 2.11 1fpiA1 ARG 229 HD2 0.00 -0.05 -0.07 -0.04 3.22 3.07 1fpiA1 ARG 229 HD3 -0.00 -0.05 -0.06 -0.04 3.22 3.07 1fpiA1 LYS 230 H -0.42 0.33 -0.33 -0.55 8.42 7.44 1fpiA1 LYS 230 HA -0.49 0.06 0.53 -0.75 4.32 3.66 1fpiA1 LYS 230 HB2 -0.78 0.08 0.15 -0.04 1.87 1.27 1fpiA1 LYS 230 HB3 -0.63 -0.02 -0.09 -0.04 1.79 1.01 1fpiA1 LYS 230 HG2 -0.60 -0.09 -0.08 -0.04 1.46 0.65 1fpiA1 LYS 230 HG3 -1.15 0.00 -0.02 -0.04 1.46 0.26 1fpiA1 LYS 230 HD2 -1.53 0.06 -0.17 -0.04 1.69 -0.00 1fpiA1 LYS 230 HD3 -1.09 -0.09 -0.12 -0.04 1.68 0.33 1fpiA1 LYS 230 HE2 -0.75 -0.03 -0.39 -0.04 2.99 1.78 1fpiA1 LYS 230 HE3 -1.18 -0.05 -0.12 -0.04 2.99 1.61 1fpiA1 LYS 231 H -0.17 0.36 -0.12 -0.55 8.42 7.94 1fpiA1 LYS 231 HA -0.17 0.07 0.66 -0.75 4.32 4.13 1fpiA1 LYS 231 HB2 0.00 0.05 0.09 -0.04 1.87 1.97 1fpiA1 LYS 231 HB3 -0.42 -0.05 0.04 -0.04 1.79 1.32 1fpiA1 LYS 231 HG2 0.02 -0.02 -0.01 -0.04 1.46 1.41 1fpiA1 LYS 231 HG3 -0.12 0.13 0.02 -0.04 1.46 1.45 1fpiA1 LYS 231 HD2 0.11 0.01 -0.06 -0.04 1.69 1.71 1fpiA1 LYS 231 HD3 0.07 -0.02 -0.02 -0.04 1.68 1.66 1fpiA1 LYS 231 HE2 0.17 -0.02 -0.03 -0.04 2.99 3.06 1fpiA1 LYS 231 HE3 0.10 -0.02 -0.08 -0.04 2.99 2.95 1fpiA1 PHE 232 H 0.07 0.53 -0.15 -0.55 8.34 8.24 1fpiA1 PHE 232 HA -0.03 0.19 0.86 -0.75 4.62 4.88 1fpiA1 PHE 232 HB2 -0.05 0.07 0.17 -0.04 3.15 3.30 1fpiA1 PHE 232 HB3 -0.03 -0.04 0.03 -0.04 3.06 2.98 1fpiA1 PHE 232 HD2 -0.03 0.04 -0.00 -0.04 7.28 7.25 1fpiA1 PHE 232 HE2 -0.01 -0.04 -0.03 -0.04 7.38 7.25 1fpiA1 PHE 232 HZ -0.00 -0.05 -0.03 -0.04 7.32 7.20 1fpiA1 PRO 233 HA -0.04 0.23 0.51 -0.51 4.44 4.63 1fpiA1 PRO 233 HB2 0.00 -0.15 0.13 -0.04 2.28 2.21 1fpiA1 PRO 233 HB3 -0.02 -0.06 -0.01 -0.04 2.02 1.88 1fpiA1 PRO 233 HG2 -0.01 0.18 -0.49 -0.04 2.03 1.68 1fpiA1 PRO 233 HG3 -0.06 0.13 -0.20 -0.04 2.03 1.86 1fpiA1 PRO 233 HD2 -0.02 0.06 0.06 -0.04 3.68 3.74 1fpiA1 PRO 233 HD3 -0.09 0.25 -0.69 -0.04 3.65 3.09 1fpiA1 PRO 234 HA 0.01 0.11 0.45 -0.51 4.44 4.50 1fpiA1 PRO 234 HB2 -0.00 -0.00 -0.02 -0.04 2.28 2.22 1fpiA1 PRO 234 HB3 -0.00 0.05 0.13 -0.04 2.02 2.15 1fpiA1 PRO 234 HG2 -0.01 -0.06 0.06 -0.04 2.03 1.98 1fpiA1 PRO 234 HG3 -0.02 0.03 0.08 -0.04 2.03 2.08 1fpiA1 PRO 234 HD2 -0.04 0.12 0.29 -0.04 3.68 4.01 1fpiA1 PRO 234 HD3 -0.02 0.27 0.31 -0.04 3.65 4.17 1fpiA1 ASP 235 H -0.00 0.10 -0.29 -0.55 8.40 7.66 1fpiA1 ASP 235 HA 0.01 0.17 0.70 -0.75 4.63 4.75 1fpiA1 ASP 235 HB2 0.01 0.02 0.09 -0.04 2.71 2.78 1fpiA1 ASP 235 HB3 0.00 -0.01 0.01 -0.04 2.70 2.66 1fpiA1 ASN 236 H 0.01 0.42 -0.56 -0.55 8.53 7.85 1fpiA1 ASN 236 HA 0.02 0.20 0.31 -0.75 4.76 4.53 1fpiA1 ASN 236 HB2 0.01 0.04 -0.23 -0.04 2.88 2.66 1fpiA1 ASN 236 HB3 0.02 -0.05 0.18 -0.04 2.79 2.90 1fpiA1 ASN 236 HD21 0.02 -0.04 -0.06 -0.04 7.03 6.91 1fpiA1 ASN 236 HD22 0.01 -0.01 -0.21 -0.04 7.74 7.49 1fpiA1 SER 237 H 0.01 -0.07 -0.21 -0.55 8.46 7.65 1fpiA1 SER 237 HA 0.02 0.13 0.65 -0.75 4.49 4.53 1fpiA1 SER 237 HB2 0.04 -0.02 0.11 -0.04 3.95 4.03 1fpiA1 SER 237 HB3 0.02 -0.00 -0.05 -0.04 3.93 3.86 1fpiA1 ALA 238 H 0.03 0.04 0.11 -0.55 8.40 8.04 1fpiA1 ALA 238 HA 0.02 0.12 0.58 -0.75 4.34 4.30 1fpiA1 ALA 238 HB3 0.03 -0.01 0.11 -0.04 1.41 1.49 1fpiA1 PRO 239 HA 0.03 0.18 0.44 -0.51 4.44 4.59 1fpiA1 PRO 239 HB2 0.01 -0.09 0.01 -0.04 2.28 2.17 1fpiA1 PRO 239 HB3 -0.07 0.14 0.29 -0.04 2.02 2.34 1fpiA1 PRO 239 HG2 -0.08 -0.06 0.13 -0.04 2.03 1.98 1fpiA1 PRO 239 HG3 -0.07 0.14 0.10 -0.04 2.03 2.16 1fpiA1 PRO 239 HD2 0.01 0.00 0.19 -0.04 3.68 3.83 1fpiA1 PRO 239 HD3 -0.00 0.11 0.28 -0.04 3.65 4.00 1fpiA1 TYR 240 H 0.18 0.43 0.21 -0.55 8.29 8.57 1fpiA1 TYR 240 HA 0.07 0.18 0.72 -0.75 4.56 4.77 1fpiA1 TYR 240 HB2 0.09 -0.05 0.03 -0.04 3.06 3.10 1fpiA1 TYR 240 HB3 0.32 -0.04 -0.16 -0.04 2.98 3.06 1fpiA1 TYR 240 HD2 0.08 0.01 -0.37 -0.04 7.15 6.83 1fpiA1 TYR 240 HE2 0.05 -0.05 -0.13 -0.04 6.85 6.68 1fpiA1 GLY 241 H 0.07 0.52 0.37 -0.55 8.43 8.85 1fpiA1 GLY 241 HA2 0.06 0.08 0.66 -0.51 4.01 4.30 1fpiA1 GLY 241 HA3 0.03 0.01 0.39 -0.51 4.01 3.94 1fpiA1 ALA 242 H -0.05 0.14 0.22 -0.55 8.40 8.17 1fpiA1 ALA 242 HA -0.49 0.31 1.05 -0.75 4.34 4.45 1fpiA1 ALA 242 HB3 -0.27 -0.01 0.07 -0.04 1.41 1.16 1fpiA1 ARG 243 H -0.14 0.45 0.28 -0.55 8.46 8.49 1fpiA1 ARG 243 HA 0.00 0.09 0.59 -0.75 4.34 4.27 1fpiA1 ARG 243 HB2 0.02 0.02 -0.05 -0.04 1.90 1.85 1fpiA1 ARG 243 HB3 0.02 -0.09 -0.08 -0.04 1.80 1.60 1fpiA1 ARG 243 HG2 -0.03 0.09 -0.57 -0.04 1.67 1.12 1fpiA1 ARG 243 HG3 -0.02 -0.01 -0.14 -0.04 1.67 1.46 1fpiA1 ARG 243 HD2 -0.02 -0.10 0.01 -0.04 3.22 3.07 1fpiA1 ARG 243 HD3 -0.02 0.11 0.18 -0.04 3.22 3.46 1fpiA1 TYR 244 H 0.10 0.28 -0.06 -0.55 8.29 8.05 1fpiA1 TYR 244 HA 0.09 0.05 0.67 -0.75 4.56 4.61 1fpiA1 TYR 244 HB2 0.02 0.04 -0.19 -0.04 3.06 2.89 1fpiA1 TYR 244 HB3 0.03 0.06 0.09 -0.04 2.98 3.12 1fpiA1 TYR 244 HD2 0.11 0.06 -0.11 -0.04 7.15 7.17 1fpiA1 TYR 244 HE2 0.16 0.09 -0.08 -0.04 6.85 6.98 1fpiA1 VAL 245 H -0.10 0.14 -0.00 -0.55 8.24 7.72 1fpiA1 VAL 245 HA -0.04 0.17 0.44 -0.75 4.13 3.95 1fpiA1 VAL 245 HB -0.11 -0.15 0.10 -0.04 2.12 1.91 1fpiA1 VAL 245 HG13 -0.04 0.02 -0.06 -0.04 0.97 0.84 1fpiA1 VAL 245 HG23 -0.03 0.03 -0.04 -0.04 0.95 0.86 1fpiA1 GLY 246 H -0.45 0.01 -0.15 -0.55 8.43 7.29 1fpiA1 GLY 246 HA2 -0.26 0.01 0.20 -0.51 4.01 3.45 1fpiA1 GLY 246 HA3 -0.06 0.32 0.84 -0.51 4.01 4.60 1fpiA1 SER 247 H -0.14 0.09 -0.11 -0.55 8.46 7.75 1fpiA1 SER 247 HA -0.04 0.14 0.86 -0.75 4.49 4.70 1fpiA1 SER 247 HB2 -0.06 -0.03 0.06 -0.04 3.95 3.88 1fpiA1 SER 247 HB3 -0.06 -0.12 -0.01 -0.04 3.93 3.70 1fpiA1 MET 248 H -0.05 0.23 0.02 -0.55 8.47 8.12 1fpiA1 MET 248 HA -0.30 0.06 0.32 -0.75 4.52 3.84 1fpiA1 MET 248 HB2 -0.01 0.05 0.05 -0.04 2.15 2.20 1fpiA1 MET 248 HB3 -0.09 -0.03 0.05 -0.04 2.03 1.91 1fpiA1 MET 248 HG2 -0.26 0.02 -0.35 -0.04 2.63 1.99 1fpiA1 MET 248 HG3 -0.28 0.02 -0.08 -0.04 2.56 2.17 1fpiA1 MET 248 HE3 0.01 0.07 -0.23 -0.04 2.10 1.90 1fpiA1 VAL 249 H -0.16 0.11 -0.27 -0.55 8.24 7.37 1fpiA1 VAL 249 HA -0.45 0.10 0.22 -0.75 4.13 3.26 1fpiA1 VAL 249 HB -0.15 0.00 -0.21 -0.04 2.12 1.72 1fpiA1 VAL 249 HG13 -0.30 0.05 -0.24 -0.04 0.97 0.44 1fpiA1 VAL 249 HG23 -0.15 -0.01 -0.14 -0.04 0.95 0.61 1fpiA1 ALA 250 H -0.14 0.13 -0.43 -0.55 8.40 7.41 1fpiA1 ALA 250 HA -0.05 0.11 0.40 -0.75 4.34 4.05 1fpiA1 ALA 250 HB3 -0.06 0.02 -0.00 -0.04 1.41 1.33 1fpiA1 ASP 251 H -0.19 0.48 -0.04 -0.55 8.40 8.10 1fpiA1 ASP 251 HA -0.07 0.06 0.33 -0.75 4.63 4.19 1fpiA1 ASP 251 HB2 -0.47 0.04 0.08 -0.04 2.71 2.32 1fpiA1 ASP 251 HB3 -0.06 0.07 -0.05 -0.04 2.70 2.62 1fpiA1 VAL 252 H -0.43 0.77 -0.07 -0.55 8.24 7.96 1fpiA1 VAL 252 HA -0.22 0.02 0.26 -0.75 4.13 3.43 1fpiA1 VAL 252 HB -0.40 0.04 -0.04 -0.04 2.12 1.68 1fpiA1 VAL 252 HG13 -0.13 -0.00 -0.18 -0.04 0.97 0.61 1fpiA1 VAL 252 HG23 -0.54 0.01 -0.07 -0.04 0.95 0.31 1fpiA1 HIS 253 H -0.12 0.46 -0.37 -0.55 8.41 7.82 1fpiA1 HIS 253 HA 0.04 0.03 0.34 -0.75 4.63 4.29 1fpiA1 HIS 253 HB2 -0.06 0.05 0.06 -0.04 3.26 3.27 1fpiA1 HIS 253 HB3 -0.05 0.06 0.07 -0.04 3.20 3.24 1fpiA1 HIS 253 HD2 0.03 0.00 -0.18 -0.04 6.97 6.78 1fpiA1 HIS 253 HE1 0.03 0.00 -0.11 -0.04 7.75 7.63 1fpiA1 ARG 254 H -0.02 0.48 -0.31 -0.55 8.46 8.06 1fpiA1 ARG 254 HA -0.07 0.04 0.46 -0.75 4.34 4.01 1fpiA1 ARG 254 HB2 -0.00 0.01 0.07 -0.04 1.90 1.93 1fpiA1 ARG 254 HB3 -0.00 0.13 0.06 -0.04 1.80 1.95 1fpiA1 ARG 254 HG2 0.03 -0.04 -0.05 -0.04 1.67 1.57 1fpiA1 ARG 254 HG3 -0.04 -0.01 -0.02 -0.04 1.67 1.55 1fpiA1 ARG 254 HD2 0.06 0.03 -0.23 -0.04 3.22 3.04 1fpiA1 ARG 254 HD3 -0.01 0.02 -0.11 -0.04 3.22 3.07 1fpiA1 THR 255 H -0.03 0.36 -0.34 -0.55 8.28 7.73 1fpiA1 THR 255 HA 0.06 0.08 0.11 -0.75 4.39 3.89 1fpiA1 THR 255 HB 0.01 0.13 -0.05 -0.04 4.32 4.36 1fpiA1 THR 255 HG23 0.09 -0.04 -0.34 -0.04 1.22 0.89 1fpiA1 LEU 256 H -0.04 0.56 -0.15 -0.55 8.37 8.19 1fpiA1 LEU 256 HA -0.01 0.01 0.36 -0.75 4.35 3.96 1fpiA1 LEU 256 HB2 0.03 -0.03 -0.02 -0.04 1.64 1.58 1fpiA1 LEU 256 HB3 -0.06 0.09 0.04 -0.04 1.64 1.67 1fpiA1 LEU 256 HG -0.03 0.04 -0.42 -0.04 1.64 1.20 1fpiA1 LEU 256 HD13 0.01 0.00 -0.14 -0.04 0.93 0.77 1fpiA1 LEU 256 HD23 0.13 -0.02 -0.16 -0.04 0.89 0.79 1fpiA1 VAL 257 H -0.15 0.34 -0.37 -0.55 8.24 7.50 1fpiA1 VAL 257 HA -0.06 0.15 0.71 -0.75 4.13 4.17 1fpiA1 VAL 257 HB -0.15 0.01 0.06 -0.04 2.12 2.00 1fpiA1 VAL 257 HG13 -0.01 -0.01 -0.12 -0.04 0.97 0.79 1fpiA1 VAL 257 HG23 -0.42 0.02 -0.05 -0.04 0.95 0.46 1fpiA1 TYR 258 H 0.07 0.76 0.09 -0.55 8.29 8.66 1fpiA1 TYR 258 HA -0.04 0.16 0.93 -0.75 4.56 4.86 1fpiA1 TYR 258 HB2 -0.04 -0.09 0.07 -0.04 3.06 2.95 1fpiA1 TYR 258 HB3 -0.03 0.08 0.05 -0.04 2.98 3.03 1fpiA1 TYR 258 HD2 -0.03 0.04 0.01 -0.04 7.15 7.12 1fpiA1 TYR 258 HE2 -0.04 -0.01 0.00 -0.04 6.85 6.76 1fpiA1 GLY 259 H 0.01 0.38 -0.08 -0.55 8.43 8.21 1fpiA1 GLY 259 HA2 -0.01 0.07 0.42 -0.51 4.01 3.98 1fpiA1 GLY 259 HA3 -0.09 0.06 0.54 -0.51 4.01 4.00 1fpiA1 GLY 260 H 0.03 0.14 0.26 -0.55 8.43 8.32 1fpiA1 GLY 260 HA2 0.08 -0.08 0.38 -0.51 4.01 3.88 1fpiA1 GLY 260 HA3 0.10 0.27 0.86 -0.51 4.01 4.73 1fpiA1 ILE 261 H 0.22 0.59 0.30 -0.55 8.25 8.81 1fpiA1 ILE 261 HA 0.16 0.24 1.04 -0.75 4.18 4.87 1fpiA1 ILE 261 HB 0.20 -0.04 -0.23 -0.04 1.89 1.77 1fpiA1 ILE 261 HG12 0.09 -0.03 -0.28 -0.04 1.49 1.23 1fpiA1 ILE 261 HG13 0.08 0.19 -0.01 -0.04 1.21 1.43 1fpiA1 ILE 261 HG23 0.39 0.00 0.03 -0.04 0.93 1.31 1fpiA1 ILE 261 HD13 -0.09 -0.03 -0.27 -0.04 0.88 0.45 1fpiA1 PHE 262 H 0.25 0.65 0.33 -0.55 8.34 9.02 1fpiA1 PHE 262 HA 0.14 0.18 1.00 -0.75 4.62 5.18 1fpiA1 PHE 262 HB2 0.07 0.00 -0.11 -0.04 3.15 3.07 1fpiA1 PHE 262 HB3 0.06 -0.01 0.02 -0.04 3.06 3.10 1fpiA1 PHE 262 HD2 0.11 0.00 -0.16 -0.04 7.28 7.19 1fpiA1 PHE 262 HE2 0.14 -0.05 -0.15 -0.04 7.38 7.27 1fpiA1 PHE 262 HZ 0.21 -0.07 -0.12 -0.04 7.32 7.30 1fpiA1 MET 263 H -0.55 0.56 0.34 -0.55 8.47 8.28 1fpiA1 MET 263 HA -0.24 0.24 1.10 -0.75 4.52 4.87 1fpiA1 MET 263 HB2 -0.19 -0.01 0.09 -0.04 2.15 1.99 1fpiA1 MET 263 HB3 -0.18 -0.02 0.04 -0.04 2.03 1.83 1fpiA1 MET 263 HG2 -0.09 0.02 -0.14 -0.04 2.63 2.38 1fpiA1 MET 263 HG3 -0.00 -0.06 -0.58 -0.04 2.56 1.87 1fpiA1 MET 263 HE3 0.27 0.01 -0.15 -0.04 2.10 2.19 1fpiA1 TYR 264 H -0.10 0.71 0.15 -0.55 8.29 8.50 1fpiA1 TYR 264 HA -0.11 0.10 0.67 -0.75 4.56 4.46 1fpiA1 TYR 264 HB2 -0.14 -0.03 -0.07 -0.04 3.06 2.78 1fpiA1 TYR 264 HB3 0.00 -0.05 0.27 -0.04 2.98 3.16 1fpiA1 TYR 264 HD2 0.12 0.01 -0.04 -0.04 7.15 7.20 1fpiA1 TYR 264 HE2 0.13 0.05 0.00 -0.04 6.85 6.99 1fpiA1 PRO 265 HA 0.01 0.03 0.65 -0.51 4.44 4.62 1fpiA1 PRO 265 HB2 -0.03 0.12 0.08 -0.04 2.28 2.40 1fpiA1 PRO 265 HB3 -0.07 -0.00 0.06 -0.04 2.02 1.97 1fpiA1 PRO 265 HG2 -0.20 0.12 -0.08 -0.04 2.03 1.82 1fpiA1 PRO 265 HG3 -0.41 0.00 -0.02 -0.04 2.03 1.56 1fpiA1 PRO 265 HD2 -0.34 0.08 0.03 -0.04 3.68 3.41 1fpiA1 PRO 265 HD3 -0.24 0.06 -0.10 -0.04 3.65 3.32 1fpiA1 ALA 266 H 0.03 0.10 0.13 -0.55 8.40 8.11 1fpiA1 ALA 266 HA 0.05 0.09 0.47 -0.75 4.34 4.20 1fpiA1 ALA 266 HB3 0.03 -0.02 -0.01 -0.04 1.41 1.37 1fpiA1 ASN 267 H 0.00 0.55 0.00 -0.55 8.53 8.54 1fpiA1 ASN 267 HA 0.02 0.19 0.32 -0.75 4.76 4.53 1fpiA1 ASN 267 HB2 -0.03 -0.11 0.11 -0.04 2.88 2.80 1fpiA1 ASN 267 HB3 0.07 0.24 -0.17 -0.04 2.79 2.89 1fpiA1 ASN 267 HD21 -0.42 -0.06 -0.09 -0.04 7.03 6.42 1fpiA1 ASN 267 HD22 -0.08 0.24 -0.41 -0.04 7.74 7.46 1fpiA1 LYS 268 H -0.04 0.19 0.07 -0.55 8.42 8.09 1fpiA1 LYS 268 HA -0.01 0.10 0.41 -0.75 4.32 4.07 1fpiA1 LYS 268 HB2 -0.01 -0.02 0.08 -0.04 1.87 1.88 1fpiA1 LYS 268 HB3 0.00 0.01 0.00 -0.04 1.79 1.76 1fpiA1 LYS 268 HG2 0.00 0.02 0.03 -0.04 1.46 1.48 1fpiA1 LYS 268 HG3 -0.00 0.04 0.03 -0.04 1.46 1.49 1fpiA1 LYS 268 HD2 0.01 -0.01 0.03 -0.04 1.69 1.68 1fpiA1 LYS 268 HD3 0.01 0.03 0.01 -0.04 1.68 1.68 1fpiA1 LYS 268 HE2 0.01 0.02 -0.01 -0.04 2.99 2.97 1fpiA1 LYS 268 HE3 0.02 -0.03 -0.02 -0.04 2.99 2.92 1fpiA1 LYS 269 H -0.14 0.04 -0.47 -0.55 8.42 7.29 1fpiA1 LYS 269 HA -0.01 0.08 0.47 -0.75 4.32 4.10 1fpiA1 LYS 269 HB2 -0.31 -0.04 0.03 -0.04 1.87 1.51 1fpiA1 LYS 269 HB3 -0.13 0.02 0.10 -0.04 1.79 1.73 1fpiA1 LYS 269 HG2 0.05 0.02 -0.01 -0.04 1.46 1.48 1fpiA1 LYS 269 HG3 0.08 -0.04 -0.01 -0.04 1.46 1.45 1fpiA1 LYS 269 HD2 0.08 -0.07 -0.06 -0.04 1.69 1.60 1fpiA1 LYS 269 HD3 0.07 0.02 -0.18 -0.04 1.68 1.55 1fpiA1 LYS 269 HE2 0.02 0.06 -0.20 -0.04 2.99 2.84 1fpiA1 LYS 269 HE3 0.04 -0.03 -0.06 -0.04 2.99 2.90 1fpiA1 SER 270 H 0.00 0.49 -0.09 -0.55 8.46 8.31 1fpiA1 SER 270 HA 0.01 0.07 0.39 -0.75 4.49 4.20 1fpiA1 SER 270 HB2 0.01 -0.05 -0.14 -0.04 3.95 3.73 1fpiA1 SER 270 HB3 0.02 0.38 0.06 -0.04 3.93 4.34 1fpiA1 PRO 271 HA 0.01 0.09 0.47 -0.51 4.44 4.50 1fpiA1 PRO 271 HB2 0.01 0.02 -0.02 -0.04 2.28 2.24 1fpiA1 PRO 271 HB3 0.01 0.04 0.10 -0.04 2.02 2.13 1fpiA1 PRO 271 HG2 0.01 0.03 0.06 -0.04 2.03 2.09 1fpiA1 PRO 271 HG3 0.01 0.08 0.03 -0.04 2.03 2.11 1fpiA1 PRO 271 HD2 0.01 0.09 0.17 -0.04 3.68 3.91 1fpiA1 PRO 271 HD3 0.01 0.11 0.20 -0.04 3.65 3.92 1fpiA1 LYS 272 H 0.01 0.05 -0.63 -0.55 8.42 7.30 1fpiA1 LYS 272 HA 0.01 0.18 0.77 -0.75 4.32 4.52 1fpiA1 LYS 272 HB2 0.00 0.02 -0.06 -0.04 1.87 1.80 1fpiA1 LYS 272 HB3 -0.00 0.08 -0.04 -0.04 1.79 1.79 1fpiA1 LYS 272 HG2 0.00 -0.00 -0.01 -0.04 1.46 1.41 1fpiA1 LYS 272 HG3 0.00 0.05 -0.11 -0.04 1.46 1.37 1fpiA1 LYS 272 HD2 0.01 -0.12 -0.12 -0.04 1.69 1.42 1fpiA1 LYS 272 HD3 0.01 0.01 -0.02 -0.04 1.68 1.64 1fpiA1 LYS 272 HE2 0.00 -0.00 -0.02 -0.04 2.99 2.93 1fpiA1 LYS 272 HE3 0.01 0.03 -0.07 -0.04 2.99 2.92 1fpiA1 GLY 273 H 0.03 0.43 -0.22 -0.55 8.43 8.13 1fpiA1 GLY 273 HA2 0.11 0.10 0.17 -0.51 4.01 3.88 1fpiA1 GLY 273 HA3 0.06 0.06 0.32 -0.51 4.01 3.94 1fpiA1 LYS 274 H -0.10 0.03 0.10 -0.55 8.42 7.89 1fpiA1 LYS 274 HA -0.05 0.23 0.83 -0.75 4.32 4.57 1fpiA1 LYS 274 HB2 -0.04 0.07 -0.01 -0.04 1.87 1.85 1fpiA1 LYS 274 HB3 -0.84 -0.08 0.09 -0.04 1.79 0.92 1fpiA1 LYS 274 HG2 -0.13 -0.04 -0.22 -0.04 1.46 1.03 1fpiA1 LYS 274 HG3 -0.03 0.03 -0.00 -0.04 1.46 1.42 1fpiA1 LYS 274 HD2 0.10 0.03 -0.02 -0.04 1.69 1.77 1fpiA1 LYS 274 HD3 -0.25 -0.05 -0.04 -0.04 1.68 1.29 1fpiA1 LYS 274 HE2 0.00 -0.05 -0.03 -0.04 2.99 2.87 1fpiA1 LYS 274 HE3 0.06 0.04 -0.02 -0.04 2.99 3.03 1fpiA1 LEU 275 H -0.27 0.03 0.12 -0.55 8.37 7.70 1fpiA1 LEU 275 HA -0.10 -0.02 0.47 -0.75 4.35 3.96 1fpiA1 LEU 275 HB2 -0.04 0.20 0.09 -0.04 1.64 1.84 1fpiA1 LEU 275 HB3 -0.04 -0.04 0.03 -0.04 1.64 1.56 1fpiA1 LEU 275 HG -0.35 -0.01 0.12 -0.04 1.64 1.36 1fpiA1 LEU 275 HD13 0.19 0.00 -0.05 -0.04 0.93 1.03 1fpiA1 LEU 275 HD23 -0.16 -0.02 -0.05 -0.04 0.89 0.62 1fpiA1 ARG 276 H -0.08 0.02 0.14 -0.55 8.46 7.99 1fpiA1 ARG 276 HA -0.13 0.30 0.62 -0.75 4.34 4.37 1fpiA1 ARG 276 HB2 -0.28 -0.09 0.05 -0.04 1.90 1.54 1fpiA1 ARG 276 HB3 -0.82 -0.13 -0.13 -0.04 1.80 0.68 1fpiA1 ARG 276 HG2 0.03 -0.01 -0.03 -0.04 1.67 1.62 1fpiA1 ARG 276 HG3 -0.09 0.10 -0.22 -0.04 1.67 1.42 1fpiA1 ARG 276 HD2 -0.03 0.12 -0.22 -0.04 3.22 3.05 1fpiA1 ARG 276 HD3 0.05 -0.11 0.00 -0.04 3.22 3.12 1fpiA1 LEU 277 H -0.16 0.85 0.22 -0.55 8.37 8.74 1fpiA1 LEU 277 HA -0.07 0.03 0.42 -0.75 4.35 3.98 1fpiA1 LEU 277 HB2 -0.05 0.12 -0.13 -0.04 1.64 1.53 1fpiA1 LEU 277 HB3 -0.08 -0.04 0.11 -0.04 1.64 1.59 1fpiA1 LEU 277 HG -0.01 0.00 -0.25 -0.04 1.64 1.34 1fpiA1 LEU 277 HD13 -0.01 0.00 -0.06 -0.04 0.93 0.82 1fpiA1 LEU 277 HD23 -0.02 0.02 -0.14 -0.04 0.89 0.72 1fpiA1 LEU 278 H -0.19 0.20 0.05 -0.55 8.37 7.88 1fpiA1 LEU 278 HA 0.04 0.14 0.39 -0.75 4.35 4.17 1fpiA1 LEU 278 HB2 -0.06 0.01 0.11 -0.04 1.64 1.65 1fpiA1 LEU 278 HB3 0.14 0.03 -0.04 -0.04 1.64 1.73 1fpiA1 LEU 278 HG -0.05 -0.04 0.08 -0.04 1.64 1.59 1fpiA1 LEU 278 HD13 0.01 0.02 -0.04 -0.04 0.93 0.88 1fpiA1 LEU 278 HD23 0.04 0.01 -0.01 -0.04 0.89 0.89 1fpiA1 TYR 279 H -0.76 0.08 -0.23 -0.55 8.29 6.84 1fpiA1 TYR 279 HA 0.05 0.35 0.83 -0.75 4.56 5.03 1fpiA1 TYR 279 HB2 0.05 -0.07 -0.19 -0.04 3.06 2.81 1fpiA1 TYR 279 HB3 0.03 0.01 -0.28 -0.04 2.98 2.70 1fpiA1 TYR 279 HD2 0.00 -0.02 -0.19 -0.04 7.15 6.90 1fpiA1 TYR 279 HE2 0.03 0.08 -0.07 -0.04 6.85 6.85 1fpiA1 GLU 280 H -0.09 0.16 -0.49 -0.55 8.60 7.64 1fpiA1 GLU 280 HA 0.04 0.14 0.74 -0.75 4.29 4.46 1fpiA1 GLU 280 HB2 -0.07 0.22 0.10 -0.04 2.09 2.29 1fpiA1 GLU 280 HB3 -0.00 -0.04 -0.04 -0.04 1.99 1.86 1fpiA1 GLU 280 HG2 0.11 0.04 -0.04 -0.04 2.34 2.41 1fpiA1 GLU 280 HG3 0.21 -0.04 -0.48 -0.04 2.34 1.98 1fpiA1 CYS 281 H -0.05 0.73 0.18 -0.55 8.50 8.80 1fpiA1 CYS 281 HA 0.02 0.00 0.34 -0.75 4.58 4.19 1fpiA1 CYS 281 HB2 -0.03 0.03 0.16 -0.04 2.97 3.10 1fpiA1 CYS 281 HB3 0.01 -0.03 -0.10 -0.04 2.97 2.81 1fpiA1 ASN 282 H -0.00 0.66 0.05 -0.55 8.53 8.69 1fpiA1 ASN 282 HA 0.05 -0.04 0.33 -0.75 4.76 4.35 1fpiA1 ASN 282 HB2 0.04 0.22 0.16 -0.04 2.88 3.25 1fpiA1 ASN 282 HB3 0.05 0.01 -0.03 -0.04 2.79 2.77 1fpiA1 ASN 282 HD21 0.06 -0.01 -0.07 -0.04 7.03 6.96 1fpiA1 ASN 282 HD22 0.08 0.03 -0.16 -0.04 7.74 7.65 1fpiA1 PRO 283 HA -0.05 0.08 0.43 -0.51 4.44 4.39 1fpiA1 PRO 283 HB2 -0.02 0.01 -0.13 -0.04 2.28 2.10 1fpiA1 PRO 283 HB3 -0.12 0.16 0.06 -0.04 2.02 2.09 1fpiA1 PRO 283 HG2 0.05 0.00 -0.37 -0.04 2.03 1.67 1fpiA1 PRO 283 HG3 -0.03 0.07 -0.13 -0.04 2.03 1.90 1fpiA1 PRO 283 HD2 0.01 -0.10 -0.65 -0.04 3.68 2.90 1fpiA1 PRO 283 HD3 0.02 0.37 -0.08 -0.04 3.65 3.91 1fpiA1 MET 284 H 0.01 0.43 -0.42 -0.55 8.47 7.95 1fpiA1 MET 284 HA 0.05 0.04 0.43 -0.75 4.52 4.29 1fpiA1 MET 284 HB2 0.00 0.14 0.00 -0.04 2.15 2.26 1fpiA1 MET 284 HB3 -0.03 -0.08 -0.08 -0.04 2.03 1.80 1fpiA1 MET 284 HG2 -0.04 0.18 -0.02 -0.04 2.63 2.71 1fpiA1 MET 284 HG3 -0.11 -0.12 -0.11 -0.04 2.56 2.18 1fpiA1 MET 284 HE3 -0.44 -0.02 -0.19 -0.04 2.10 1.40 1fpiA1 ALA 285 H 0.05 0.56 -0.15 -0.55 8.40 8.32 1fpiA1 ALA 285 HA 0.04 0.02 0.51 -0.75 4.34 4.16 1fpiA1 ALA 285 HB3 0.05 0.01 0.03 -0.04 1.41 1.45 1fpiA1 TYR 286 H 0.16 0.68 -0.13 -0.55 8.29 8.45 1fpiA1 TYR 286 HA 0.00 0.03 0.36 -0.75 4.56 4.20 1fpiA1 TYR 286 HB2 -0.02 0.07 0.05 -0.04 3.06 3.12 1fpiA1 TYR 286 HB3 -0.03 0.08 0.05 -0.04 2.98 3.04 1fpiA1 TYR 286 HD2 -0.01 0.02 -0.24 -0.04 7.15 6.88 1fpiA1 TYR 286 HE2 0.00 0.07 -0.35 -0.04 6.85 6.53 1fpiA1 VAL 287 H 0.16 0.42 -0.28 -0.55 8.24 7.98 1fpiA1 VAL 287 HA 0.10 0.05 0.30 -0.75 4.13 3.83 1fpiA1 VAL 287 HB 0.12 0.04 0.02 -0.04 2.12 2.25 1fpiA1 VAL 287 HG13 0.13 -0.02 -0.24 -0.04 0.97 0.80 1fpiA1 VAL 287 HG23 0.09 0.09 -0.08 -0.04 0.95 1.01 1fpiA1 MET 288 H 0.05 0.40 -0.43 -0.55 8.47 7.94 1fpiA1 MET 288 HA 0.02 0.03 0.35 -0.75 4.52 4.16 1fpiA1 MET 288 HB2 0.03 0.09 0.13 -0.04 2.15 2.36 1fpiA1 MET 288 HB3 0.01 -0.05 -0.26 -0.04 2.03 1.69 1fpiA1 MET 288 HG2 0.03 0.10 0.00 -0.04 2.63 2.73 1fpiA1 MET 288 HG3 0.04 -0.10 -0.03 -0.04 2.56 2.43 1fpiA1 MET 288 HE3 0.02 -0.02 -0.14 -0.04 2.10 1.92 1fpiA1 GLU 289 H -0.04 0.68 -0.12 -0.55 8.60 8.58 1fpiA1 GLU 289 HA -0.04 0.22 0.52 -0.75 4.29 4.23 1fpiA1 GLU 289 HB2 -0.14 0.07 0.07 -0.04 2.09 2.05 1fpiA1 GLU 289 HB3 -0.08 -0.01 0.01 -0.04 1.99 1.87 1fpiA1 GLU 289 HG2 -0.03 0.03 0.02 -0.04 2.34 2.33 1fpiA1 GLU 289 HG3 -0.02 0.15 0.02 -0.04 2.34 2.44 1fpiA1 LYS 290 H -0.15 0.48 -0.29 -0.55 8.42 7.91 1fpiA1 LYS 290 HA -0.12 0.06 0.43 -0.75 4.32 3.94 1fpiA1 LYS 290 HB2 -0.09 0.07 0.03 -0.04 1.87 1.84 1fpiA1 LYS 290 HB3 -0.06 -0.10 -0.11 -0.04 1.79 1.48 1fpiA1 LYS 290 HG2 -0.63 0.08 -0.03 -0.04 1.46 0.83 1fpiA1 LYS 290 HG3 -0.26 -0.07 -0.18 -0.04 1.46 0.91 1fpiA1 LYS 290 HD2 -0.09 0.08 -0.06 -0.04 1.69 1.57 1fpiA1 LYS 290 HD3 -0.17 -0.02 -0.03 -0.04 1.68 1.42 1fpiA1 LYS 290 HE2 -0.49 -0.04 -0.10 -0.04 2.99 2.32 1fpiA1 LYS 290 HE3 -0.21 -0.07 -0.24 -0.04 2.99 2.43 1fpiA1 ALA 291 H -0.04 0.22 -0.53 -0.55 8.40 7.51 1fpiA1 ALA 291 HA -0.02 0.34 0.76 -0.75 4.34 4.67 1fpiA1 ALA 291 HB3 -0.01 -0.04 0.05 -0.04 1.41 1.38 1fpiA1 GLY 292 H -0.03 0.32 -0.35 -0.55 8.43 7.82 1fpiA1 GLY 292 HA2 -0.02 0.04 0.33 -0.51 4.01 3.84 1fpiA1 GLY 292 HA3 -0.02 0.11 0.82 -0.51 4.01 4.42 1fpiA1 GLY 293 H -0.01 0.43 0.15 -0.55 8.43 8.46 1fpiA1 GLY 293 HA2 0.00 0.16 0.93 -0.51 4.01 4.59 1fpiA1 GLY 293 HA3 0.01 0.02 0.29 -0.51 4.01 3.82 1fpiA1 LEU 294 H 0.01 0.45 0.18 -0.55 8.37 8.46 1fpiA1 LEU 294 HA -0.01 0.22 0.90 -0.75 4.35 4.72 1fpiA1 LEU 294 HB2 -0.00 -0.03 -0.05 -0.04 1.64 1.51 1fpiA1 LEU 294 HB3 -0.01 -0.06 -0.01 -0.04 1.64 1.52 1fpiA1 LEU 294 HG -0.00 -0.02 -0.24 -0.04 1.64 1.34 1fpiA1 LEU 294 HD13 -0.01 -0.01 -0.08 -0.04 0.93 0.80 1fpiA1 LEU 294 HD23 -0.01 0.07 -0.10 -0.04 0.89 0.81 1fpiA1 ALA 295 H -0.00 0.24 0.08 -0.55 8.40 8.17 1fpiA1 ALA 295 HA 0.02 0.32 0.87 -0.75 4.34 4.79 1fpiA1 ALA 295 HB3 0.02 0.00 0.07 -0.04 1.41 1.47 1fpiA1 THR 296 H -0.02 0.76 0.35 -0.55 8.28 8.82 1fpiA1 THR 296 HA -0.04 0.11 0.99 -0.75 4.39 4.70 1fpiA1 THR 296 HB -0.06 0.05 -0.20 -0.04 4.32 4.08 1fpiA1 THR 296 HG23 -0.09 0.04 -0.12 -0.04 1.22 1.01 1fpiA1 THR 297 H -0.09 0.56 0.26 -0.55 8.28 8.47 1fpiA1 THR 297 HA -0.07 0.24 0.54 -0.75 4.39 4.35 1fpiA1 THR 297 HB -0.06 0.06 0.14 -0.04 4.32 4.42 1fpiA1 THR 297 HG23 -0.03 0.10 -0.04 -0.04 1.22 1.21 1fpiA1 GLY 298 H -0.20 0.05 -0.20 -0.55 8.43 7.54 1fpiA1 GLY 298 HA2 -0.58 0.04 0.21 -0.51 4.01 3.17 1fpiA1 GLY 298 HA3 -0.90 0.21 0.68 -0.51 4.01 3.48 1fpiA1 LYS 299 H -0.19 -0.03 -0.45 -0.55 8.42 7.21 1fpiA1 LYS 299 HA -0.10 0.26 0.79 -0.75 4.32 4.51 1fpiA1 LYS 299 HB2 -0.07 -0.07 0.02 -0.04 1.87 1.70 1fpiA1 LYS 299 HB3 -0.04 0.04 -0.05 -0.04 1.79 1.70 1fpiA1 LYS 299 HG2 -0.02 0.06 -0.07 -0.04 1.46 1.39 1fpiA1 LYS 299 HG3 -0.12 -0.05 -0.25 -0.04 1.46 1.00 1fpiA1 LYS 299 HD2 -0.02 0.00 -0.03 -0.04 1.69 1.60 1fpiA1 LYS 299 HD3 -0.00 0.03 -0.03 -0.04 1.68 1.63 1fpiA1 LYS 299 HE2 -0.07 0.09 -0.04 -0.04 2.99 2.93 1fpiA1 LYS 299 HE3 -0.06 -0.10 -0.03 -0.04 2.99 2.75 1fpiA1 GLU 300 H -0.08 -0.03 0.09 -0.55 8.60 8.04 1fpiA1 GLU 300 HA -0.04 0.29 0.84 -0.75 4.29 4.62 1fpiA1 GLU 300 HB2 -0.02 0.03 0.03 -0.04 2.09 2.09 1fpiA1 GLU 300 HB3 -0.03 0.07 -0.15 -0.04 1.99 1.84 1fpiA1 GLU 300 HG2 -0.04 -0.20 -0.14 -0.04 2.34 1.92 1fpiA1 GLU 300 HG3 -0.02 0.15 -0.33 -0.04 2.34 2.10 1fpiA1 ALA 301 H -0.02 0.21 0.11 -0.55 8.40 8.16 1fpiA1 ALA 301 HA -0.02 0.17 0.61 -0.75 4.34 4.34 1fpiA1 ALA 301 HB3 -0.01 0.03 0.11 -0.04 1.41 1.50 1fpiA1 VAL 302 H -0.01 0.44 0.22 -0.55 8.24 8.34 1fpiA1 VAL 302 HA -0.00 0.08 0.33 -0.75 4.13 3.79 1fpiA1 VAL 302 HB 0.02 -0.01 -0.01 -0.04 2.12 2.07 1fpiA1 VAL 302 HG13 0.02 0.01 -0.26 -0.04 0.97 0.69 1fpiA1 VAL 302 HG23 0.00 0.03 -0.27 -0.04 0.95 0.67 1fpiA1 LEU 303 H 0.02 0.15 -0.20 -0.55 8.37 7.80 1fpiA1 LEU 303 HA 0.06 0.04 0.39 -0.75 4.35 4.08 1fpiA1 LEU 303 HB2 0.04 0.04 -0.10 -0.04 1.64 1.57 1fpiA1 LEU 303 HB3 0.08 0.02 -0.14 -0.04 1.64 1.56 1fpiA1 LEU 303 HG 0.05 -0.09 -0.10 -0.04 1.64 1.46 1fpiA1 LEU 303 HD13 0.04 0.04 -0.20 -0.04 0.93 0.77 1fpiA1 LEU 303 HD23 0.14 0.04 -0.14 -0.04 0.89 0.89 1fpiA1 ASP 304 H 0.02 0.40 -0.55 -0.55 8.40 7.72 1fpiA1 ASP 304 HA 0.03 0.18 0.91 -0.75 4.63 5.00 1fpiA1 ASP 304 HB2 0.00 0.04 0.03 -0.04 2.71 2.74 1fpiA1 ASP 304 HB3 0.01 0.01 0.09 -0.04 2.70 2.76 1fpiA1 ILE 305 H 0.01 0.30 -0.10 -0.55 8.25 7.91 1fpiA1 ILE 305 HA -0.00 0.02 0.42 -0.75 4.18 3.87 1fpiA1 ILE 305 HB 0.00 0.02 0.07 -0.04 1.89 1.94 1fpiA1 ILE 305 HG12 -0.01 -0.03 -0.04 -0.04 1.49 1.37 1fpiA1 ILE 305 HG13 -0.00 0.06 0.05 -0.04 1.21 1.28 1fpiA1 ILE 305 HG23 -0.01 -0.00 -0.22 -0.04 0.93 0.65 1fpiA1 ILE 305 HD13 -0.01 -0.01 -0.02 -0.04 0.88 0.79 1fpiA1 VAL 306 H -0.00 0.12 0.13 -0.55 8.24 7.93 1fpiA1 VAL 306 HA -0.01 0.17 0.67 -0.75 4.13 4.20 1fpiA1 VAL 306 HB -0.01 -0.08 0.16 -0.04 2.12 2.15 1fpiA1 VAL 306 HG13 -0.02 0.04 -0.08 -0.04 0.97 0.87 1fpiA1 VAL 306 HG23 -0.00 0.02 0.02 -0.04 0.95 0.94 1fpiA1 PRO 307 HA -0.02 -0.05 0.39 -0.51 4.44 4.24 1fpiA1 PRO 307 HB2 -0.05 -0.00 -0.16 -0.04 2.28 2.02 1fpiA1 PRO 307 HB3 -0.04 -0.01 -0.01 -0.04 2.02 1.92 1fpiA1 PRO 307 HG2 -0.03 0.17 -0.13 -0.04 2.03 2.00 1fpiA1 PRO 307 HG3 -0.01 -0.04 -0.11 -0.04 2.03 1.83 1fpiA1 PRO 307 HD2 -0.04 0.13 -0.33 -0.04 3.68 3.40 1fpiA1 PRO 307 HD3 -0.01 0.46 0.09 -0.04 3.65 4.15 1fpiA1 THR 308 H -0.02 -0.04 0.22 -0.55 8.28 7.89 1fpiA1 THR 308 HA -0.02 0.24 0.81 -0.75 4.39 4.67 1fpiA1 THR 308 HB -0.01 -0.06 0.10 -0.04 4.32 4.31 1fpiA1 THR 308 HG23 -0.01 -0.01 -0.07 -0.04 1.22 1.09 1fpiA1 ASP 309 H -0.03 0.07 0.20 -0.55 8.40 8.09 1fpiA1 ASP 309 HA -0.03 0.19 0.68 -0.75 4.63 4.72 1fpiA1 ASP 309 HB2 -0.00 0.13 -0.16 -0.04 2.71 2.63 1fpiA1 ASP 309 HB3 0.00 -0.05 -0.03 -0.04 2.70 2.58 1fpiA1 ILE 310 H -0.09 0.21 0.11 -0.55 8.25 7.93 1fpiA1 ILE 310 HA -0.09 0.15 0.51 -0.75 4.18 4.00 1fpiA1 ILE 310 HB -0.23 0.02 0.03 -0.04 1.89 1.67 1fpiA1 ILE 310 HG12 -0.18 -0.06 0.12 -0.04 1.49 1.34 1fpiA1 ILE 310 HG13 -0.78 0.09 -0.06 -0.04 1.21 0.41 1fpiA1 ILE 310 HG23 -0.08 0.00 -0.03 -0.04 0.93 0.78 1fpiA1 ILE 310 HD13 -0.17 0.04 0.00 -0.04 0.88 0.71 1fpiA1 HIS 311 H -0.03 0.06 -0.25 -0.55 8.41 7.64 1fpiA1 HIS 311 HA 0.04 0.18 0.81 -0.75 4.63 4.90 1fpiA1 HIS 311 HB2 0.03 -0.01 0.06 -0.04 3.26 3.30 1fpiA1 HIS 311 HB3 0.06 0.02 0.14 -0.04 3.20 3.39 1fpiA1 HIS 311 HD2 0.03 -0.02 0.06 -0.04 6.97 6.99 1fpiA1 HIS 311 HE1 -0.04 0.31 0.02 -0.04 7.75 7.99 1fpiA1 GLN 312 H -0.02 0.23 -0.46 -0.55 8.47 7.67 1fpiA1 GLN 312 HA 0.01 0.07 0.53 -0.75 4.36 4.21 1fpiA1 GLN 312 HB2 -0.01 -0.13 0.15 -0.04 2.15 2.11 1fpiA1 GLN 312 HB3 -0.04 0.01 0.15 -0.04 2.02 2.10 1fpiA1 GLN 312 HG2 -0.03 0.19 -0.25 -0.04 2.40 2.27 1fpiA1 GLN 312 HG3 -0.01 0.03 0.08 -0.04 2.39 2.45 1fpiA1 GLN 312 HE21 -0.02 0.04 -0.12 -0.04 6.97 6.84 1fpiA1 GLN 312 HE22 -0.02 0.12 -0.07 -0.04 7.69 7.68 1fpiA1 ARG 313 H -0.01 0.10 0.17 -0.55 8.46 8.17 1fpiA1 ARG 313 HA -0.05 0.09 0.68 -0.75 4.34 4.31 1fpiA1 ARG 313 HB2 -0.01 -0.08 -0.12 -0.04 1.90 1.64 1fpiA1 ARG 313 HB3 -0.03 0.07 -0.42 -0.04 1.80 1.39 1fpiA1 ARG 313 HG2 -0.02 -0.01 -0.25 -0.04 1.67 1.35 1fpiA1 ARG 313 HG3 0.00 -0.05 -0.03 -0.04 1.67 1.55 1fpiA1 ARG 313 HD2 -0.00 -0.05 -0.05 -0.04 3.22 3.08 1fpiA1 ARG 313 HD3 -0.02 0.08 -0.01 -0.04 3.22 3.24 1fpiA1 ALA 314 H -0.03 0.53 0.09 -0.55 8.40 8.44 1fpiA1 ALA 314 HA -0.01 0.13 0.62 -0.75 4.34 4.32 1fpiA1 ALA 314 HB3 -0.02 -0.02 -0.15 -0.04 1.41 1.18 1fpiA1 PRO 315 HA 0.06 0.15 0.57 -0.51 4.44 4.70 1fpiA1 PRO 315 HB2 -0.02 0.05 0.09 -0.04 2.28 2.35 1fpiA1 PRO 315 HB3 0.02 -0.17 0.19 -0.04 2.02 2.01 1fpiA1 PRO 315 HG2 -0.00 0.07 0.05 -0.04 2.03 2.11 1fpiA1 PRO 315 HG3 0.02 -0.02 -0.37 -0.04 2.03 1.62 1fpiA1 PRO 315 HD2 -0.01 0.02 0.20 -0.04 3.68 3.84 1fpiA1 PRO 315 HD3 -0.00 0.23 0.14 -0.04 3.65 3.98 1fpiA1 ILE 316 H 0.05 0.40 0.17 -0.55 8.25 8.32 1fpiA1 ILE 316 HA 0.00 0.29 0.69 -0.75 4.18 4.40 1fpiA1 ILE 316 HB 0.05 0.12 -0.32 -0.04 1.89 1.69 1fpiA1 ILE 316 HG12 0.10 -0.02 -0.29 -0.04 1.49 1.24 1fpiA1 ILE 316 HG13 0.04 0.03 -0.02 -0.04 1.21 1.21 1fpiA1 ILE 316 HG23 0.16 -0.03 -0.09 -0.04 0.93 0.94 1fpiA1 ILE 316 HD13 0.07 -0.03 -0.12 -0.04 0.88 0.76 1fpiA1 ILE 317 H -0.01 0.70 0.31 -0.55 8.25 8.70 1fpiA1 ILE 317 HA -0.02 0.23 0.93 -0.75 4.18 4.56 1fpiA1 ILE 317 HB -0.08 -0.07 0.02 -0.04 1.89 1.72 1fpiA1 ILE 317 HG12 -0.09 0.01 -0.12 -0.04 1.49 1.25 1fpiA1 ILE 317 HG13 -0.09 0.02 -0.01 -0.04 1.21 1.08 1fpiA1 ILE 317 HG23 -0.08 0.01 -0.16 -0.04 0.93 0.67 1fpiA1 ILE 317 HD13 -0.10 -0.06 -0.47 -0.04 0.88 0.21 1fpiA1 LEU 318 H 0.12 0.69 0.34 -0.55 8.37 8.97 1fpiA1 LEU 318 HA 0.05 0.31 0.87 -0.75 4.35 4.83 1fpiA1 LEU 318 HB2 0.08 0.06 0.16 -0.04 1.64 1.89 1fpiA1 LEU 318 HB3 0.08 -0.05 -0.04 -0.04 1.64 1.60 1fpiA1 LEU 318 HG 0.34 -0.03 -0.16 -0.04 1.64 1.76 1fpiA1 LEU 318 HD13 0.15 -0.04 -0.19 -0.04 0.93 0.81 1fpiA1 LEU 318 HD23 0.09 0.01 -0.19 -0.04 0.89 0.76 1fpiA1 GLY 319 H 0.05 0.44 0.29 -0.55 8.43 8.67 1fpiA1 GLY 319 HA2 0.06 -0.01 0.23 -0.51 4.01 3.79 1fpiA1 GLY 319 HA3 0.09 0.24 1.11 -0.51 4.01 4.94 1fpiA1 SER 320 H 0.06 0.52 0.35 -0.55 8.46 8.85 1fpiA1 SER 320 HA 0.02 0.31 0.50 -0.75 4.49 4.56 1fpiA1 SER 320 HB2 0.07 -0.18 0.16 -0.04 3.95 3.95 1fpiA1 SER 320 HB3 0.03 0.33 -0.36 -0.04 3.93 3.90 1fpiA1 PRO 321 HA 0.01 -0.03 0.49 -0.51 4.44 4.39 1fpiA1 PRO 321 HB2 0.01 -0.02 0.05 -0.04 2.28 2.28 1fpiA1 PRO 321 HB3 0.00 0.11 0.14 -0.04 2.02 2.23 1fpiA1 PRO 321 HG2 0.01 -0.09 0.34 -0.04 2.03 2.25 1fpiA1 PRO 321 HG3 0.00 0.18 0.20 -0.04 2.03 2.37 1fpiA1 PRO 321 HD2 0.01 0.36 0.39 -0.04 3.68 4.40 1fpiA1 PRO 321 HD3 0.01 0.26 0.37 -0.04 3.65 4.24 1fpiA1 GLU 322 H 0.03 0.54 0.11 -0.55 8.60 8.72 1fpiA1 GLU 322 HA 0.03 0.03 0.41 -0.75 4.29 4.00 1fpiA1 GLU 322 HB2 0.05 0.11 -0.03 -0.04 2.09 2.18 1fpiA1 GLU 322 HB3 0.05 -0.01 -0.01 -0.04 1.99 1.99 1fpiA1 GLU 322 HG2 0.02 -0.01 0.01 -0.04 2.34 2.33 1fpiA1 GLU 322 HG3 0.02 0.02 0.03 -0.04 2.34 2.37 1fpiA1 ASP 323 H 0.08 0.25 -0.41 -0.55 8.40 7.77 1fpiA1 ASP 323 HA 0.16 0.13 0.61 -0.75 4.63 4.78 1fpiA1 ASP 323 HB2 0.13 0.15 0.02 -0.04 2.71 2.97 1fpiA1 ASP 323 HB3 0.24 -0.02 -0.13 -0.04 2.70 2.76 1fpiA1 VAL 324 H 0.04 0.58 -0.06 -0.55 8.24 8.24 1fpiA1 VAL 324 HA -0.07 0.02 0.37 -0.75 4.13 3.70 1fpiA1 VAL 324 HB -0.00 0.11 -0.01 -0.04 2.12 2.18 1fpiA1 VAL 324 HG13 -0.04 -0.04 -0.24 -0.04 0.97 0.62 1fpiA1 VAL 324 HG23 0.02 0.07 -0.30 -0.04 0.95 0.70 1fpiA1 THR 325 H 0.01 0.58 -0.16 -0.55 8.28 8.17 1fpiA1 THR 325 HA -0.01 0.04 0.43 -0.75 4.39 4.09 1fpiA1 THR 325 HB 0.01 -0.02 -0.06 -0.04 4.32 4.21 1fpiA1 THR 325 HG23 0.00 0.03 -0.04 -0.04 1.22 1.18 1fpiA1 GLU 326 H 0.03 0.32 -0.38 -0.55 8.60 8.02 1fpiA1 GLU 326 HA 0.05 0.04 0.36 -0.75 4.29 3.98 1fpiA1 GLU 326 HB2 0.09 0.16 0.16 -0.04 2.09 2.46 1fpiA1 GLU 326 HB3 0.17 0.12 0.11 -0.04 1.99 2.35 1fpiA1 GLU 326 HG2 0.19 -0.04 -0.20 -0.04 2.34 2.25 1fpiA1 GLU 326 HG3 0.07 -0.03 0.03 -0.04 2.34 2.37 1fpiA1 LEU 327 H -0.12 0.36 -0.33 -0.55 8.37 7.74 1fpiA1 LEU 327 HA -0.11 0.05 0.44 -0.75 4.35 3.98 1fpiA1 LEU 327 HB2 -1.02 0.03 0.02 -0.04 1.64 0.63 1fpiA1 LEU 327 HB3 -0.27 0.13 0.03 -0.04 1.64 1.49 1fpiA1 LEU 327 HG 0.14 0.00 -0.37 -0.04 1.64 1.38 1fpiA1 LEU 327 HD13 -0.19 -0.03 -0.10 -0.04 0.93 0.57 1fpiA1 LEU 327 HD23 -0.21 -0.01 -0.11 -0.04 0.89 0.52 1fpiA1 LEU 328 H -0.03 0.42 -0.27 -0.55 8.37 7.95 1fpiA1 LEU 328 HA 0.06 0.02 0.41 -0.75 4.35 4.08 1fpiA1 LEU 328 HB2 -0.01 0.13 0.16 -0.04 1.64 1.88 1fpiA1 LEU 328 HB3 -0.00 -0.02 -0.04 -0.04 1.64 1.54 1fpiA1 LEU 328 HG -0.06 0.18 0.02 -0.04 1.64 1.73 1fpiA1 LEU 328 HD13 -0.03 -0.04 -0.15 -0.04 0.93 0.67 1fpiA1 LEU 328 HD23 -0.12 -0.04 -0.06 -0.04 0.89 0.62 1fpiA1 GLU 329 H 0.03 0.44 -0.40 -0.55 8.60 8.14 1fpiA1 GLU 329 HA 0.05 0.05 0.50 -0.75 4.29 4.13 1fpiA1 GLU 329 HB2 0.04 0.18 0.12 -0.04 2.09 2.39 1fpiA1 GLU 329 HB3 0.04 -0.04 -0.02 -0.04 1.99 1.92 1fpiA1 GLU 329 HG2 0.02 -0.05 -0.01 -0.04 2.34 2.27 1fpiA1 GLU 329 HG3 0.03 0.25 0.02 -0.04 2.34 2.59 1fpiA1 ILE 330 H 0.05 0.40 -0.08 -0.55 8.25 8.07 1fpiA1 ILE 330 HA 0.09 0.03 0.41 -0.75 4.18 3.96 1fpiA1 ILE 330 HB -0.03 0.11 0.13 -0.04 1.89 2.07 1fpiA1 ILE 330 HG12 0.06 -0.03 0.02 -0.04 1.49 1.51 1fpiA1 ILE 330 HG13 0.06 0.18 0.12 -0.04 1.21 1.53 1fpiA1 ILE 330 HG23 -0.08 -0.03 -0.01 -0.04 0.93 0.77 1fpiA1 ILE 330 HD13 0.12 -0.03 -0.08 -0.04 0.88 0.85 1fpiA1 TYR 331 H 0.14 0.46 -0.43 -0.55 8.29 7.91 1fpiA1 TYR 331 HA -0.03 -0.08 0.39 -0.75 4.56 4.09 1fpiA1 TYR 331 HB2 -0.04 0.08 0.15 -0.04 3.06 3.21 1fpiA1 TYR 331 HB3 -0.02 0.08 -0.07 -0.04 2.98 2.93 1fpiA1 TYR 331 HD2 -0.07 0.10 -0.14 -0.04 7.15 7.00 1fpiA1 TYR 331 HE2 -0.10 -0.02 -0.08 -0.04 6.85 6.62 1fpiA1 GLN 332 H 0.12 0.36 -0.23 -0.55 8.47 8.18 1fpiA1 GLN 332 HA 0.08 0.01 0.45 -0.75 4.36 4.16 1fpiA1 GLN 332 HB2 0.05 0.13 0.20 -0.04 2.15 2.49 1fpiA1 GLN 332 HB3 0.04 -0.05 -0.00 -0.04 2.02 1.96 1fpiA1 GLN 332 HG2 0.04 -0.05 0.04 -0.04 2.40 2.39 1fpiA1 GLN 332 HG3 0.06 0.26 0.12 -0.04 2.39 2.78 1fpiA1 GLN 332 HE21 0.02 -0.05 -0.04 -0.04 6.97 6.85 1fpiA1 GLN 332 HE22 0.03 0.04 -0.11 -0.04 7.69 7.61 1fpiA1 LYS 333 H 0.09 0.52 -0.12 -0.55 8.42 8.36 1fpiA1 LYS 333 HA -0.01 0.01 0.41 -0.75 4.32 3.98 1fpiA1 LYS 333 HB2 0.02 -0.03 0.08 -0.04 1.87 1.89 1fpiA1 LYS 333 HB3 0.15 0.13 0.14 -0.04 1.79 2.17 1fpiA1 LYS 333 HG2 -0.44 0.02 -0.47 -0.04 1.46 0.54 1fpiA1 LYS 333 HG3 -0.13 -0.04 -0.02 -0.04 1.46 1.24 1fpiA1 LYS 333 HD2 0.11 0.01 -0.02 -0.04 1.69 1.75 1fpiA1 LYS 333 HD3 -0.22 -0.03 -0.07 -0.04 1.68 1.32 1fpiA1 LYS 333 HE2 -0.05 -0.01 -0.02 -0.04 2.99 2.87 1fpiA1 LYS 333 HE3 0.01 0.00 -0.02 -0.04 2.99 2.94 1fpiA1 HIS 334 H 0.27 0.34 -0.39 -0.55 8.41 8.08 1fpiA1 HIS 334 HA -0.02 0.11 0.64 -0.75 4.63 4.60 1fpiA1 HIS 334 HB2 -0.08 0.05 0.07 -0.04 3.26 3.25 1fpiA1 HIS 334 HB3 -0.05 -0.08 0.17 -0.04 3.20 3.20 1fpiA1 HIS 334 HD2 -0.05 -0.04 -0.04 -0.04 6.97 6.80 1fpiA1 HIS 334 HE1 -0.05 -0.03 -0.03 -0.04 7.75 7.60 1fpiA1 ALA 335 H 0.05 0.51 -0.78 -0.55 8.40 7.63 1fpiA1 ALA 335 HA 0.06 0.13 0.68 -0.75 4.34 4.46 1fpiA1 ALA 335 HB3 0.06 0.06 0.09 -0.04 1.41 1.57