============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 7 1.000 -3.685 -9.468 47.311 -99.200 -91.000 TYR 14 0.840 -5.861 -1.060 44.185 -99.200 -91.000 HIS 16 0.900 -12.643 -3.419 35.789 -99.200 -91.000 TYR 18 0.840 -4.622 3.058 39.552 -99.200 -91.000 PHE 20 1.000 -6.166 6.493 34.313 -99.200 -91.000 TRP 28 1.040 4.612 7.010 25.284 -99.200 -91.000 TRP6 28 1.020 5.752 4.943 25.054 -99.200 -91.000 HIS 41 0.900 15.752 -2.033 13.569 -99.200 -91.000 TYR 70 0.840 0.083 -1.592 31.126 -99.200 -91.000 HIS 73 0.900 0.264 -9.131 30.530 -99.200 -91.000 PHE 76 1.000 -2.419 -3.118 21.768 -99.200 -91.000 PHE 77 1.000 4.821 -2.413 20.573 -99.200 -91.000 TYR 87 0.840 10.867 -3.691 23.558 -99.200 -91.000 TYR 120 0.840 -17.220 8.802 26.626 -99.200 -91.000 HIS 121 0.900 -12.606 12.293 33.948 -99.200 -91.000 TRP 126 1.040 -25.441 11.747 28.475 -99.200 -91.000 TRP6 126 1.020 -25.342 9.412 28.830 -99.200 -91.000 TYR 128 0.840 -29.199 12.694 37.989 -99.200 -91.000 PHE 135 1.000 -18.231 13.363 22.051 -99.200 -91.000 PHE 143 1.000 -18.520 14.731 16.938 -99.200 -91.000 TRP 144 1.040 -23.537 15.457 13.749 -99.200 -91.000 TRP6 144 1.020 -21.804 13.930 13.170 -99.200 -91.000 PHE 146 1.000 -15.856 20.333 19.093 -99.200 -91.000 TYR 153 0.840 -11.224 18.781 18.714 -99.200 -91.000 PHE 157 1.000 -16.505 11.914 12.741 -99.200 -91.000 PHE 177 1.000 -27.099 -8.529 -0.849 -99.200 -91.000 PHE 179 1.000 -24.392 -1.024 -4.636 -99.200 -91.000 PHE 203 1.000 -22.199 -1.789 -8.773 -99.200 -91.000 PHE 211 1.000 -29.280 15.117 2.013 -99.200 -91.000 TYR 228 0.840 -19.430 15.382 -3.715 -99.200 -91.000 PHE 234 1.000 -32.504 14.475 12.122 -99.200 -91.000 TYR 247 0.840 -19.207 2.802 10.628 -99.200 -91.000 HIS 250 0.900 -22.782 4.111 14.879 -99.200 -91.000 TRP 252 1.040 -28.514 10.386 14.163 -99.200 -91.000 TRP6 252 1.020 -28.590 12.711 14.568 -99.200 -91.000 TRP 317 1.040 -30.447 -2.858 14.098 -99.200 -91.000 TRP6 317 1.020 -30.113 -0.635 13.316 -99.200 -91.000 PHE 321 1.000 -34.952 -1.749 10.430 -99.200 -91.000 PHE 326 1.000 -38.616 1.917 5.842 -99.200 -91.000 HIS 328 0.900 -40.010 -7.269 2.837 -99.200 -91.000 TYR 329 0.840 -36.024 -7.259 10.086 -99.200 -91.000 PHE 337 1.000 -15.794 -5.682 16.105 -99.200 -91.000 TYR 344 0.840 -36.288 -5.135 1.083 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1fp2A1 ARG 8 HA 0.01 -0.14 0.24 -0.75 4.34 3.70 1fp2A1 ARG 8 HB2 0.01 -0.02 0.07 -0.04 1.90 1.91 1fp2A1 ARG 8 HB3 0.01 -0.01 0.09 -0.04 1.80 1.84 1fp2A1 ARG 8 HG2 0.01 -0.02 -0.00 -0.04 1.67 1.61 1fp2A1 ARG 8 HG3 0.01 0.07 -0.12 -0.04 1.67 1.59 1fp2A1 ARG 8 HD2 0.01 -0.12 0.10 -0.04 3.22 3.17 1fp2A1 ARG 8 HD3 0.01 -0.02 0.03 -0.04 3.22 3.20 1fp2A1 LYS 9 H 0.01 0.05 0.08 -0.55 8.42 8.01 1fp2A1 LYS 9 HA 0.01 0.17 0.71 -0.75 4.32 4.45 1fp2A1 LYS 9 HB2 0.01 -0.10 0.07 -0.04 1.87 1.81 1fp2A1 LYS 9 HB3 0.01 -0.01 0.12 -0.04 1.79 1.87 1fp2A1 LYS 9 HG2 0.01 -0.01 -0.47 -0.04 1.46 0.95 1fp2A1 LYS 9 HG3 0.01 -0.03 -0.08 -0.04 1.46 1.32 1fp2A1 LYS 9 HD2 0.01 -0.06 -0.04 -0.04 1.69 1.56 1fp2A1 LYS 9 HD3 0.01 0.06 -0.09 -0.04 1.68 1.61 1fp2A1 LYS 9 HE2 0.01 0.09 -0.09 -0.04 2.99 2.96 1fp2A1 LYS 9 HE3 0.01 -0.03 -0.06 -0.04 2.99 2.87 1fp2A1 PRO 10 HA 0.01 0.25 0.66 -0.51 4.44 4.85 1fp2A1 PRO 10 HB2 0.02 -0.15 0.25 -0.04 2.28 2.35 1fp2A1 PRO 10 HB3 0.01 0.13 0.12 -0.04 2.02 2.24 1fp2A1 PRO 10 HG2 0.02 -0.16 -0.02 -0.04 2.03 1.83 1fp2A1 PRO 10 HG3 0.01 0.13 0.07 -0.04 2.03 2.20 1fp2A1 PRO 10 HD2 0.01 0.10 0.18 -0.04 3.68 3.93 1fp2A1 PRO 10 HD3 0.01 0.22 0.13 -0.04 3.65 3.97 1fp2A1 SER 11 H 0.03 0.23 0.14 -0.55 8.46 8.31 1fp2A1 SER 11 HA 0.05 0.09 0.51 -0.75 4.49 4.40 1fp2A1 SER 11 HB2 0.04 0.07 0.16 -0.04 3.95 4.18 1fp2A1 SER 11 HB3 0.05 0.05 0.14 -0.04 3.93 4.13 1fp2A1 GLU 12 H 0.03 0.23 -0.83 -0.55 8.60 7.49 1fp2A1 GLU 12 HA 0.02 0.13 0.66 -0.75 4.29 4.34 1fp2A1 GLU 12 HB2 0.01 0.04 0.05 -0.04 2.09 2.15 1fp2A1 GLU 12 HB3 0.01 0.05 0.06 -0.04 1.99 2.07 1fp2A1 GLU 12 HG2 0.02 -0.14 -0.06 -0.04 2.34 2.12 1fp2A1 GLU 12 HG3 0.02 0.06 -0.07 -0.04 2.34 2.30 1fp2A1 ILE 13 H 0.05 0.37 -0.08 -0.55 8.25 8.04 1fp2A1 ILE 13 HA 0.03 0.12 0.50 -0.75 4.18 4.08 1fp2A1 ILE 13 HB 0.04 -0.01 0.09 -0.04 1.89 1.98 1fp2A1 ILE 13 HG12 0.02 0.19 0.02 -0.04 1.49 1.69 1fp2A1 ILE 13 HG13 0.02 0.06 0.02 -0.04 1.21 1.27 1fp2A1 ILE 13 HG23 0.03 0.01 -0.14 -0.04 0.93 0.80 1fp2A1 ILE 13 HD13 0.02 -0.01 -0.01 -0.04 0.88 0.83 1fp2A1 PHE 14 H 0.17 0.15 -0.18 -0.55 8.34 7.93 1fp2A1 PHE 14 HA -0.06 0.08 0.44 -0.75 4.62 4.32 1fp2A1 PHE 14 HB2 -0.03 -0.00 0.11 -0.04 3.15 3.19 1fp2A1 PHE 14 HB3 -0.02 0.12 0.11 -0.04 3.06 3.23 1fp2A1 PHE 14 HD2 -0.05 -0.01 0.06 -0.04 7.28 7.23 1fp2A1 PHE 14 HE2 -0.04 0.02 -0.01 -0.04 7.38 7.31 1fp2A1 PHE 14 HZ -0.02 0.02 -0.01 -0.04 7.32 7.27 1fp2A1 LYS 15 H 0.02 0.19 -0.36 -0.55 8.42 7.71 1fp2A1 LYS 15 HA -0.23 0.07 0.44 -0.75 4.32 3.84 1fp2A1 LYS 15 HB2 -0.07 0.02 0.11 -0.04 1.87 1.88 1fp2A1 LYS 15 HB3 -0.03 0.11 0.12 -0.04 1.79 1.95 1fp2A1 LYS 15 HG2 -0.04 0.00 -0.22 -0.04 1.46 1.17 1fp2A1 LYS 15 HG3 -0.08 -0.01 0.03 -0.04 1.46 1.37 1fp2A1 LYS 15 HD2 -0.03 -0.01 0.02 -0.04 1.69 1.63 1fp2A1 LYS 15 HD3 -0.02 0.01 0.01 -0.04 1.68 1.64 1fp2A1 LYS 15 HE2 -0.03 0.00 -0.00 -0.04 2.99 2.92 1fp2A1 LYS 15 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.93 1fp2A1 ALA 16 H -0.00 0.42 -0.22 -0.55 8.40 8.05 1fp2A1 ALA 16 HA -0.00 0.03 0.51 -0.75 4.34 4.12 1fp2A1 ALA 16 HB3 0.01 0.03 0.11 -0.04 1.41 1.53 1fp2A1 GLN 17 H -0.00 0.53 -0.20 -0.55 8.47 8.26 1fp2A1 GLN 17 HA -0.06 0.02 0.50 -0.75 4.36 4.07 1fp2A1 GLN 17 HB2 -0.01 0.03 0.09 -0.04 2.15 2.22 1fp2A1 GLN 17 HB3 0.03 0.10 0.17 -0.04 2.02 2.27 1fp2A1 GLN 17 HG2 -0.76 -0.01 -0.17 -0.04 2.40 1.42 1fp2A1 GLN 17 HG3 -0.37 -0.03 0.05 -0.04 2.39 2.00 1fp2A1 GLN 17 HE21 -0.03 -0.01 -0.02 -0.04 6.97 6.87 1fp2A1 GLN 17 HE22 0.08 -0.00 -0.00 -0.04 7.69 7.72 1fp2A1 ALA 18 H -0.13 0.52 -0.17 -0.55 8.40 8.07 1fp2A1 ALA 18 HA -0.10 -0.00 0.41 -0.75 4.34 3.90 1fp2A1 ALA 18 HB3 -0.19 0.04 0.12 -0.04 1.41 1.34 1fp2A1 LEU 19 H -0.01 0.42 -0.21 -0.55 8.37 8.03 1fp2A1 LEU 19 HA 0.11 0.02 0.36 -0.75 4.35 4.08 1fp2A1 LEU 19 HB2 0.03 0.01 0.12 -0.04 1.64 1.77 1fp2A1 LEU 19 HB3 0.04 0.12 0.18 -0.04 1.64 1.94 1fp2A1 LEU 19 HG 0.09 -0.00 -0.25 -0.04 1.64 1.43 1fp2A1 LEU 19 HD13 0.17 -0.01 0.03 -0.04 0.93 1.07 1fp2A1 LEU 19 HD23 -0.00 -0.00 -0.01 -0.04 0.89 0.83 1fp2A1 LEU 20 H 0.07 0.63 -0.05 -0.55 8.37 8.48 1fp2A1 LEU 20 HA 0.15 0.00 0.44 -0.75 4.35 4.19 1fp2A1 LEU 20 HB2 0.09 0.02 0.14 -0.04 1.64 1.86 1fp2A1 LEU 20 HB3 0.15 0.09 0.21 -0.04 1.64 2.04 1fp2A1 LEU 20 HG 0.23 -0.03 -0.20 -0.04 1.64 1.60 1fp2A1 LEU 20 HD13 0.08 -0.01 0.05 -0.04 0.93 1.01 1fp2A1 LEU 20 HD23 0.14 -0.00 -0.00 -0.04 0.89 0.99 1fp2A1 TYR 21 H 0.28 0.67 -0.12 -0.55 8.29 8.57 1fp2A1 TYR 21 HA 0.17 -0.03 0.41 -0.75 4.56 4.36 1fp2A1 TYR 21 HB2 0.11 0.15 0.15 -0.04 3.06 3.43 1fp2A1 TYR 21 HB3 0.19 -0.05 -0.03 -0.04 2.98 3.06 1fp2A1 TYR 21 HD2 0.11 -0.06 -0.05 -0.04 7.15 7.12 1fp2A1 TYR 21 HE2 0.10 -0.02 -0.02 -0.04 6.85 6.87 1fp2A1 LYS 22 H 0.20 0.58 -0.18 -0.55 8.42 8.47 1fp2A1 LYS 22 HA 0.09 -0.01 0.36 -0.75 4.32 4.01 1fp2A1 LYS 22 HB2 0.06 0.03 0.12 -0.04 1.87 2.03 1fp2A1 LYS 22 HB3 0.08 0.19 0.18 -0.04 1.79 2.19 1fp2A1 LYS 22 HG2 -0.32 -0.02 -0.18 -0.04 1.46 0.90 1fp2A1 LYS 22 HG3 -0.05 -0.04 0.03 -0.04 1.46 1.36 1fp2A1 LYS 22 HD2 0.01 -0.01 -0.01 -0.04 1.69 1.63 1fp2A1 LYS 22 HD3 0.02 0.00 -0.01 -0.04 1.68 1.65 1fp2A1 LYS 22 HE2 -0.08 -0.01 -0.03 -0.04 2.99 2.82 1fp2A1 LYS 22 HE3 -0.03 -0.00 -0.01 -0.04 2.99 2.90 1fp2A1 HIS 23 H 0.24 0.46 -0.26 -0.55 8.41 8.31 1fp2A1 HIS 23 HA 0.06 0.05 0.67 -0.75 4.63 4.66 1fp2A1 HIS 23 HB2 0.06 0.12 0.17 -0.04 3.26 3.57 1fp2A1 HIS 23 HB3 0.04 -0.04 0.03 -0.04 3.20 3.18 1fp2A1 HIS 23 HD2 0.03 -0.02 0.01 -0.04 6.97 6.95 1fp2A1 HIS 23 HE1 0.03 -0.03 -0.02 -0.04 7.75 7.68 1fp2A1 ILE 24 H 0.12 0.62 0.09 -0.55 8.25 8.54 1fp2A1 ILE 24 HA -0.01 0.02 0.50 -0.75 4.18 3.94 1fp2A1 ILE 24 HB -0.22 0.05 0.17 -0.04 1.89 1.85 1fp2A1 ILE 24 HG12 -0.05 -0.03 0.06 -0.04 1.49 1.43 1fp2A1 ILE 24 HG13 0.05 0.13 0.06 -0.04 1.21 1.41 1fp2A1 ILE 24 HG23 -0.68 -0.02 -0.11 -0.04 0.93 0.08 1fp2A1 ILE 24 HD13 -0.03 -0.02 -0.05 -0.04 0.88 0.74 1fp2A1 TYR 25 H 0.10 0.56 -0.30 -0.55 8.29 8.09 1fp2A1 TYR 25 HA -0.23 0.11 0.65 -0.75 4.56 4.34 1fp2A1 TYR 25 HB2 -0.10 0.19 0.06 -0.04 3.06 3.17 1fp2A1 TYR 25 HB3 -0.28 -0.11 0.14 -0.04 2.98 2.69 1fp2A1 TYR 25 HD2 -0.12 0.10 0.04 -0.04 7.15 7.13 1fp2A1 TYR 25 HE2 -0.27 -0.02 -0.02 -0.04 6.85 6.51 1fp2A1 ALA 26 H 0.02 0.39 -0.43 -0.55 8.40 7.84 1fp2A1 ALA 26 HA -0.03 0.04 0.49 -0.75 4.34 4.08 1fp2A1 ALA 26 HB3 -0.03 0.04 0.14 -0.04 1.41 1.52 1fp2A1 PHE 27 H 0.15 0.26 -0.29 -0.55 8.34 7.90 1fp2A1 PHE 27 HA 0.00 0.03 0.37 -0.75 4.62 4.27 1fp2A1 PHE 27 HB2 0.00 -0.01 0.06 -0.04 3.15 3.17 1fp2A1 PHE 27 HB3 -0.02 0.07 0.08 -0.04 3.06 3.16 1fp2A1 PHE 27 HD2 -0.00 0.05 -0.08 -0.04 7.28 7.21 1fp2A1 PHE 27 HE2 -0.03 0.05 -0.01 -0.04 7.38 7.35 1fp2A1 PHE 27 HZ 0.10 -0.01 -0.01 -0.04 7.32 7.36 1fp2A1 ILE 28 H -0.73 0.55 -0.36 -0.55 8.25 7.17 1fp2A1 ILE 28 HA -0.19 -0.01 0.48 -0.75 4.18 3.71 1fp2A1 ILE 28 HB -0.32 0.20 0.10 -0.04 1.89 1.83 1fp2A1 ILE 28 HG12 -0.35 -0.04 0.03 -0.04 1.49 1.08 1fp2A1 ILE 28 HG13 -1.21 -0.02 0.05 -0.04 1.21 -0.02 1fp2A1 ILE 28 HG23 -0.44 -0.02 -0.06 -0.04 0.93 0.38 1fp2A1 ILE 28 HD13 -0.28 0.00 0.02 -0.04 0.88 0.58 1fp2A1 ASP 29 H -0.01 0.54 -0.19 -0.55 8.40 8.19 1fp2A1 ASP 29 HA 0.26 0.03 0.41 -0.75 4.63 4.58 1fp2A1 ASP 29 HB2 0.06 0.26 0.21 -0.04 2.71 3.20 1fp2A1 ASP 29 HB3 0.10 -0.04 0.00 -0.04 2.70 2.72 1fp2A1 SER 30 H 0.05 0.27 -0.17 -0.55 8.46 8.06 1fp2A1 SER 30 HA 0.02 0.04 0.37 -0.75 4.49 4.17 1fp2A1 SER 30 HB2 0.08 0.15 0.18 -0.04 3.95 4.31 1fp2A1 SER 30 HB3 0.03 -0.01 0.04 -0.04 3.93 3.96 1fp2A1 MET 31 H 0.07 0.52 -0.03 -0.55 8.47 8.48 1fp2A1 MET 31 HA 0.08 0.06 0.29 -0.75 4.52 4.21 1fp2A1 MET 31 HB2 0.07 0.02 0.10 -0.04 2.15 2.29 1fp2A1 MET 31 HB3 0.09 -0.03 0.03 -0.04 2.03 2.07 1fp2A1 MET 31 HG2 0.22 0.15 0.03 -0.04 2.63 3.00 1fp2A1 MET 31 HG3 0.24 -0.02 -0.03 -0.04 2.56 2.70 1fp2A1 MET 31 HE3 0.07 -0.01 -0.15 -0.04 2.10 1.97 1fp2A1 SER 32 H 0.04 0.64 -0.19 -0.55 8.46 8.40 1fp2A1 SER 32 HA 0.09 0.04 0.54 -0.75 4.49 4.40 1fp2A1 SER 32 HB2 0.10 -0.07 0.07 -0.04 3.95 4.01 1fp2A1 SER 32 HB3 -0.09 0.01 0.11 -0.04 3.93 3.91 1fp2A1 LEU 33 H 0.04 0.43 -0.29 -0.55 8.37 8.00 1fp2A1 LEU 33 HA -0.11 -0.00 0.42 -0.75 4.35 3.91 1fp2A1 LEU 33 HB2 -0.25 0.04 0.11 -0.04 1.64 1.50 1fp2A1 LEU 33 HB3 -0.07 0.17 0.19 -0.04 1.64 1.89 1fp2A1 LEU 33 HG -0.15 -0.02 -0.24 -0.04 1.64 1.18 1fp2A1 LEU 33 HD13 -0.72 -0.02 -0.00 -0.04 0.93 0.14 1fp2A1 LEU 33 HD23 -0.14 -0.00 -0.03 -0.04 0.89 0.67 1fp2A1 LYS 34 H 0.04 0.62 -0.02 -0.55 8.42 8.50 1fp2A1 LYS 34 HA 0.01 -0.02 0.40 -0.75 4.32 3.96 1fp2A1 LYS 34 HB2 0.04 0.04 0.09 -0.04 1.87 2.00 1fp2A1 LYS 34 HB3 0.09 0.09 0.16 -0.04 1.79 2.09 1fp2A1 LYS 34 HG2 0.08 -0.02 -0.26 -0.04 1.46 1.21 1fp2A1 LYS 34 HG3 0.03 -0.06 -0.02 -0.04 1.46 1.37 1fp2A1 LYS 34 HD2 0.04 0.09 -0.01 -0.04 1.69 1.77 1fp2A1 LYS 34 HD3 0.07 -0.03 -0.00 -0.04 1.68 1.67 1fp2A1 LYS 34 HE2 0.06 -0.05 -0.03 -0.04 2.99 2.93 1fp2A1 LYS 34 HE3 0.03 -0.05 -0.04 -0.04 2.99 2.89 1fp2A1 TRP 35 H 0.27 0.51 -0.32 -0.55 7.97 7.88 1fp2A1 TRP 35 HA -0.01 0.00 0.37 -0.75 4.62 4.23 1fp2A1 TRP 35 HB2 -0.01 0.04 0.12 -0.04 3.23 3.33 1fp2A1 TRP 35 HB3 -0.01 0.14 0.19 -0.04 3.23 3.52 1fp2A1 TRP 35 HD1 -0.01 0.00 -0.00 -0.04 7.22 7.17 1fp2A1 TRP 35 HE1 -0.02 -0.00 -0.04 -0.04 10.20 10.10 1fp2A1 TRP 35 HE3 0.01 0.17 -0.06 -0.04 7.59 7.68 1fp2A1 TRP 35 HZ2 -0.04 -0.02 -0.05 -0.04 7.44 7.29 1fp2A1 TRP 35 HZ3 -0.04 -0.02 -0.14 -0.04 7.13 6.89 1fp2A1 TRP 35 HH2 -0.09 -0.01 -0.02 -0.04 7.19 7.03 1fp2A1 ALA 36 H 0.26 0.54 -0.15 -0.55 8.40 8.50 1fp2A1 ALA 36 HA -0.54 -0.01 0.39 -0.75 4.34 3.43 1fp2A1 ALA 36 HB3 0.17 0.02 0.09 -0.04 1.41 1.64 1fp2A1 VAL 37 H -0.06 0.51 -0.17 -0.55 8.24 7.97 1fp2A1 VAL 37 HA -0.07 -0.02 0.51 -0.75 4.13 3.79 1fp2A1 VAL 37 HB -0.04 0.13 0.17 -0.04 2.12 2.33 1fp2A1 VAL 37 HG13 -0.04 -0.01 -0.08 -0.04 0.97 0.81 1fp2A1 VAL 37 HG23 -0.06 0.00 0.06 -0.04 0.95 0.91 1fp2A1 GLU 38 H -0.10 0.66 -0.01 -0.55 8.60 8.61 1fp2A1 GLU 38 HA -0.08 0.01 0.33 -0.75 4.29 3.80 1fp2A1 GLU 38 HB2 -0.09 0.05 0.12 -0.04 2.09 2.13 1fp2A1 GLU 38 HB3 -0.07 -0.03 0.01 -0.04 1.99 1.86 1fp2A1 GLU 38 HG2 -0.03 -0.05 0.02 -0.04 2.34 2.24 1fp2A1 GLU 38 HG3 -0.02 0.14 0.05 -0.04 2.34 2.47 1fp2A1 MET 39 H -0.42 0.55 -0.22 -0.55 8.47 7.83 1fp2A1 MET 39 HA -0.25 0.11 0.64 -0.75 4.52 4.26 1fp2A1 MET 39 HB2 -0.80 -0.01 0.05 -0.04 2.15 1.35 1fp2A1 MET 39 HB3 -0.49 -0.05 0.09 -0.04 2.03 1.53 1fp2A1 MET 39 HG2 -1.08 0.15 0.06 -0.04 2.63 1.72 1fp2A1 MET 39 HG3 -2.11 -0.10 -0.04 -0.04 2.56 0.26 1fp2A1 MET 39 HE3 -0.09 -0.01 -0.01 -0.04 2.10 1.95 1fp2A1 ASN 40 H -0.17 0.41 -0.53 -0.55 8.53 7.69 1fp2A1 ASN 40 HA -0.08 0.04 0.33 -0.75 4.76 4.29 1fp2A1 ASN 40 HB2 -0.08 0.08 -0.23 -0.04 2.88 2.61 1fp2A1 ASN 40 HB3 -0.08 0.14 0.09 -0.04 2.79 2.90 1fp2A1 ASN 40 HD21 -0.02 -0.04 0.01 -0.04 7.03 6.94 1fp2A1 ASN 40 HD22 -0.04 0.08 0.02 -0.04 7.74 7.76 1fp2A1 ILE 41 H -0.17 0.49 -0.09 -0.55 8.25 7.93 1fp2A1 ILE 41 HA -0.09 0.06 0.33 -0.75 4.18 3.72 1fp2A1 ILE 41 HB -0.10 0.06 0.10 -0.04 1.89 1.91 1fp2A1 ILE 41 HG12 -0.23 -0.01 -0.07 -0.04 1.49 1.14 1fp2A1 ILE 41 HG13 -0.35 0.08 -0.19 -0.04 1.21 0.70 1fp2A1 ILE 41 HG23 -0.19 -0.02 -0.13 -0.04 0.93 0.54 1fp2A1 ILE 41 HD13 -0.58 -0.02 -0.05 -0.04 0.88 0.20 1fp2A1 PRO 42 HA 0.19 0.03 0.35 -0.51 4.44 4.49 1fp2A1 PRO 42 HB2 0.03 0.08 -0.08 -0.04 2.28 2.27 1fp2A1 PRO 42 HB3 0.06 0.12 -0.01 -0.04 2.02 2.16 1fp2A1 PRO 42 HG2 0.01 0.05 -0.01 -0.04 2.03 2.04 1fp2A1 PRO 42 HG3 0.13 0.02 -0.00 -0.04 2.03 2.13 1fp2A1 PRO 42 HD2 -0.01 0.13 -0.04 -0.04 3.68 3.72 1fp2A1 PRO 42 HD3 0.07 0.11 0.02 -0.04 3.65 3.82 1fp2A1 ASN 43 H 0.01 0.21 -0.27 -0.55 8.53 7.93 1fp2A1 ASN 43 HA 0.03 0.01 0.42 -0.75 4.76 4.46 1fp2A1 ASN 43 HB2 -0.01 0.16 0.13 -0.04 2.88 3.11 1fp2A1 ASN 43 HB3 0.00 0.02 0.04 -0.04 2.79 2.82 1fp2A1 ASN 43 HD21 -0.01 -0.04 0.12 -0.04 7.03 7.06 1fp2A1 ASN 43 HD22 -0.01 0.09 0.08 -0.04 7.74 7.86 1fp2A1 ILE 44 H -0.01 0.53 -0.10 -0.55 8.25 8.12 1fp2A1 ILE 44 HA 0.00 0.03 0.38 -0.75 4.18 3.84 1fp2A1 ILE 44 HB -0.04 0.08 0.16 -0.04 1.89 2.04 1fp2A1 ILE 44 HG12 -0.03 -0.05 0.02 -0.04 1.49 1.39 1fp2A1 ILE 44 HG13 -0.04 0.07 0.07 -0.04 1.21 1.27 1fp2A1 ILE 44 HG23 -0.06 -0.02 -0.15 -0.04 0.93 0.66 1fp2A1 ILE 44 HD13 -0.08 -0.01 -0.11 -0.04 0.88 0.64 1fp2A1 ILE 45 H 0.04 0.58 -0.14 -0.55 8.25 8.19 1fp2A1 ILE 45 HA 0.07 0.04 0.50 -0.75 4.18 4.04 1fp2A1 ILE 45 HB 0.13 0.07 0.11 -0.04 1.89 2.17 1fp2A1 ILE 45 HG12 0.03 -0.05 0.05 -0.04 1.49 1.48 1fp2A1 ILE 45 HG13 0.01 0.11 0.04 -0.04 1.21 1.33 1fp2A1 ILE 45 HG23 0.14 -0.02 -0.06 -0.04 0.93 0.95 1fp2A1 ILE 45 HD13 0.06 -0.02 -0.18 -0.04 0.88 0.70 1fp2A1 GLN 46 H 0.07 0.56 -0.04 -0.55 8.47 8.52 1fp2A1 GLN 46 HA 0.06 -0.03 0.40 -0.75 4.36 4.05 1fp2A1 GLN 46 HB2 0.05 -0.05 0.11 -0.04 2.15 2.22 1fp2A1 GLN 46 HB3 0.04 0.08 0.19 -0.04 2.02 2.29 1fp2A1 GLN 46 HG2 0.03 -0.01 -0.04 -0.04 2.40 2.34 1fp2A1 GLN 46 HG3 0.03 0.05 -0.24 -0.04 2.39 2.19 1fp2A1 GLN 46 HE21 0.02 -0.03 -0.00 -0.04 6.97 6.92 1fp2A1 GLN 46 HE22 0.02 0.03 -0.04 -0.04 7.69 7.66 1fp2A1 ASN 47 H 0.05 0.68 -0.13 -0.55 8.53 8.58 1fp2A1 ASN 47 HA 0.04 0.00 0.37 -0.75 4.76 4.42 1fp2A1 ASN 47 HB2 0.04 0.10 0.13 -0.04 2.88 3.11 1fp2A1 ASN 47 HB3 0.04 -0.06 0.03 -0.04 2.79 2.76 1fp2A1 ASN 47 HD21 0.01 -0.08 -0.04 -0.04 7.03 6.88 1fp2A1 ASN 47 HD22 0.01 -0.02 -0.06 -0.04 7.74 7.63 1fp2A1 HIS 48 H 0.15 0.38 -0.31 -0.55 8.41 8.09 1fp2A1 HIS 48 HA 0.01 -0.01 0.47 -0.75 4.63 4.35 1fp2A1 HIS 48 HB2 0.02 0.09 0.16 -0.04 3.26 3.48 1fp2A1 HIS 48 HB3 0.02 0.18 0.18 -0.04 3.20 3.55 1fp2A1 HIS 48 HD2 0.02 0.28 -0.41 -0.04 6.97 6.81 1fp2A1 HIS 48 HE1 0.01 -0.06 0.01 -0.04 7.75 7.66 1fp2A1 GLY 49 H 0.08 0.39 -0.32 -0.55 8.43 8.03 1fp2A1 GLY 49 HA2 0.02 0.04 0.32 -0.51 4.01 3.88 1fp2A1 GLY 49 HA3 -0.03 0.05 0.48 -0.51 4.01 4.00 1fp2A1 LYS 50 H 0.06 0.30 -0.30 -0.55 8.42 7.92 1fp2A1 LYS 50 HA 0.03 0.06 0.49 -0.75 4.32 4.15 1fp2A1 LYS 50 HB2 -0.00 -0.05 0.09 -0.04 1.87 1.87 1fp2A1 LYS 50 HB3 -0.06 0.08 -0.23 -0.04 1.79 1.55 1fp2A1 LYS 50 HG2 -0.38 0.08 -0.21 -0.04 1.46 0.91 1fp2A1 LYS 50 HG3 0.05 0.20 -0.37 -0.04 1.46 1.30 1fp2A1 LYS 50 HD2 -0.03 -0.05 -0.04 -0.04 1.69 1.54 1fp2A1 LYS 50 HD3 -0.10 0.00 -0.07 -0.04 1.68 1.47 1fp2A1 LYS 50 HE2 0.01 -0.00 -0.04 -0.04 2.99 2.92 1fp2A1 LYS 50 HE3 -0.01 -0.09 -0.03 -0.04 2.99 2.83 1fp2A1 PRO 51 HA 0.11 0.18 0.39 -0.51 4.44 4.62 1fp2A1 PRO 51 HB2 0.03 -0.04 -0.11 -0.04 2.28 2.12 1fp2A1 PRO 51 HB3 0.05 -0.02 -0.34 -0.04 2.02 1.66 1fp2A1 PRO 51 HG2 0.03 0.02 -0.02 -0.04 2.03 2.03 1fp2A1 PRO 51 HG3 0.06 0.02 -0.02 -0.04 2.03 2.05 1fp2A1 PRO 51 HD2 0.03 0.09 0.14 -0.04 3.68 3.91 1fp2A1 PRO 51 HD3 0.04 0.14 0.14 -0.04 3.65 3.94 1fp2A1 ILE 52 H 0.09 0.50 0.33 -0.55 8.25 8.62 1fp2A1 ILE 52 HA 0.05 0.20 0.94 -0.75 4.18 4.61 1fp2A1 ILE 52 HB -0.15 0.14 0.08 -0.04 1.89 1.91 1fp2A1 ILE 52 HG12 -0.15 0.03 -0.13 -0.04 1.49 1.21 1fp2A1 ILE 52 HG13 -0.53 -0.05 0.05 -0.04 1.21 0.63 1fp2A1 ILE 52 HG23 0.03 0.02 0.02 -0.04 0.93 0.96 1fp2A1 ILE 52 HD13 -0.34 0.03 -0.16 -0.04 0.88 0.37 1fp2A1 SER 53 H -0.00 0.15 0.16 -0.55 8.46 8.23 1fp2A1 SER 53 HA -0.11 0.27 0.55 -0.75 4.49 4.45 1fp2A1 SER 53 HB2 -0.03 -0.03 0.11 -0.04 3.95 3.96 1fp2A1 SER 53 HB3 -0.01 0.12 0.07 -0.04 3.93 4.08 1fp2A1 LEU 54 H -0.07 0.47 0.31 -0.55 8.37 8.54 1fp2A1 LEU 54 HA 0.21 0.11 0.42 -0.75 4.35 4.33 1fp2A1 LEU 54 HB2 0.14 0.07 0.13 -0.04 1.64 1.95 1fp2A1 LEU 54 HB3 0.04 -0.05 0.18 -0.04 1.64 1.77 1fp2A1 LEU 54 HG 0.07 -0.02 -0.21 -0.04 1.64 1.44 1fp2A1 LEU 54 HD13 0.17 0.01 -0.01 -0.04 0.93 1.07 1fp2A1 LEU 54 HD23 0.07 0.01 -0.03 -0.04 0.89 0.90 1fp2A1 SER 55 H 0.01 0.08 -0.14 -0.55 8.46 7.87 1fp2A1 SER 55 HA 0.02 0.09 0.33 -0.75 4.49 4.18 1fp2A1 SER 55 HB2 0.01 0.07 0.03 -0.04 3.95 4.02 1fp2A1 SER 55 HB3 0.01 0.01 0.08 -0.04 3.93 3.98 1fp2A1 ASN 56 H -0.01 0.02 -0.24 -0.55 8.53 7.76 1fp2A1 ASN 56 HA -0.01 0.10 0.46 -0.75 4.76 4.54 1fp2A1 ASN 56 HB2 -0.07 -0.07 0.13 -0.04 2.88 2.83 1fp2A1 ASN 56 HB3 -0.13 0.09 -0.02 -0.04 2.79 2.70 1fp2A1 ASN 56 HD21 0.08 0.04 0.02 -0.04 7.03 7.13 1fp2A1 ASN 56 HD22 0.10 -0.03 0.06 -0.04 7.74 7.83 1fp2A1 LEU 57 H -0.02 0.58 -0.20 -0.55 8.37 8.18 1fp2A1 LEU 57 HA -0.07 0.07 0.44 -0.75 4.35 4.04 1fp2A1 LEU 57 HB2 0.01 0.03 -0.00 -0.04 1.64 1.64 1fp2A1 LEU 57 HB3 0.05 0.04 0.13 -0.04 1.64 1.82 1fp2A1 LEU 57 HG -0.03 -0.01 -0.29 -0.04 1.64 1.26 1fp2A1 LEU 57 HD13 -0.10 0.00 -0.01 -0.04 0.93 0.78 1fp2A1 LEU 57 HD23 -0.10 -0.01 -0.09 -0.04 0.89 0.66 1fp2A1 VAL 58 H 0.02 0.59 -0.03 -0.55 8.24 8.27 1fp2A1 VAL 58 HA 0.01 0.05 0.44 -0.75 4.13 3.88 1fp2A1 VAL 58 HB 0.03 -0.02 0.06 -0.04 2.12 2.15 1fp2A1 VAL 58 HG13 0.05 0.02 0.03 -0.04 0.97 1.03 1fp2A1 VAL 58 HG23 0.02 0.03 -0.04 -0.04 0.95 0.92 1fp2A1 SER 59 H -0.00 0.29 -0.49 -0.55 8.46 7.72 1fp2A1 SER 59 HA 0.00 0.01 0.43 -0.75 4.49 4.18 1fp2A1 SER 59 HB2 0.00 0.07 0.14 -0.04 3.95 4.13 1fp2A1 SER 59 HB3 -0.01 0.08 0.18 -0.04 3.93 4.14 1fp2A1 ILE 60 H -0.03 0.56 -0.00 -0.55 8.25 8.24 1fp2A1 ILE 60 HA -0.02 0.02 0.43 -0.75 4.18 3.86 1fp2A1 ILE 60 HB -0.05 0.07 0.17 -0.04 1.89 2.04 1fp2A1 ILE 60 HG12 -0.02 -0.04 0.05 -0.04 1.49 1.44 1fp2A1 ILE 60 HG13 -0.04 0.17 0.14 -0.04 1.21 1.43 1fp2A1 ILE 60 HG23 -0.03 -0.01 -0.08 -0.04 0.93 0.76 1fp2A1 ILE 60 HD13 -0.06 -0.03 -0.02 -0.04 0.88 0.74 1fp2A1 LEU 61 H -0.03 0.46 -0.19 -0.55 8.37 8.07 1fp2A1 LEU 61 HA -0.04 0.10 0.38 -0.75 4.35 4.03 1fp2A1 LEU 61 HB2 -0.01 -0.09 0.05 -0.04 1.64 1.55 1fp2A1 LEU 61 HB3 -0.03 -0.04 0.02 -0.04 1.64 1.55 1fp2A1 LEU 61 HG -0.06 0.22 0.05 -0.04 1.64 1.81 1fp2A1 LEU 61 HD13 -0.06 -0.06 -0.09 -0.04 0.93 0.68 1fp2A1 LEU 61 HD23 -0.13 -0.01 -0.02 -0.04 0.89 0.69 1fp2A1 GLN 62 H -0.00 0.33 -0.46 -0.55 8.47 7.79 1fp2A1 GLN 62 HA 0.00 0.03 0.33 -0.75 4.36 3.96 1fp2A1 GLN 62 HB2 -0.00 0.16 -0.12 -0.04 2.15 2.14 1fp2A1 GLN 62 HB3 0.00 -0.13 0.19 -0.04 2.02 2.04 1fp2A1 GLN 62 HG2 -0.01 0.26 -0.13 -0.04 2.40 2.48 1fp2A1 GLN 62 HG3 -0.00 -0.10 -0.02 -0.04 2.39 2.23 1fp2A1 GLN 62 HE21 0.00 -0.21 0.07 -0.04 6.97 6.80 1fp2A1 GLN 62 HE22 -0.00 1.09 0.28 -0.04 7.69 9.02 1fp2A1 VAL 63 H 0.02 0.11 -0.15 -0.55 8.24 7.67 1fp2A1 VAL 63 HA 0.03 0.16 0.60 -0.75 4.13 4.16 1fp2A1 VAL 63 HB 0.06 -0.03 -0.02 -0.04 2.12 2.08 1fp2A1 VAL 63 HG13 0.08 0.00 -0.08 -0.04 0.97 0.93 1fp2A1 VAL 63 HG23 0.04 -0.00 -0.15 -0.04 0.95 0.80 1fp2A1 PRO 64 HA 0.01 0.13 0.45 -0.51 4.44 4.53 1fp2A1 PRO 64 HB2 0.01 -0.14 0.03 -0.04 2.28 2.14 1fp2A1 PRO 64 HB3 0.01 0.12 0.11 -0.04 2.02 2.23 1fp2A1 PRO 64 HG2 0.02 -0.10 0.06 -0.04 2.03 1.97 1fp2A1 PRO 64 HG3 0.02 0.11 0.07 -0.04 2.03 2.18 1fp2A1 PRO 64 HD2 0.04 0.09 0.21 -0.04 3.68 3.98 1fp2A1 PRO 64 HD3 0.02 0.27 0.17 -0.04 3.65 4.07 1fp2A1 SER 65 H 0.01 0.20 0.17 -0.55 8.46 8.29 1fp2A1 SER 65 HA 0.01 0.11 0.38 -0.75 4.49 4.24 1fp2A1 SER 65 HB2 0.01 0.01 0.08 -0.04 3.95 4.01 1fp2A1 SER 65 HB3 0.01 0.08 0.14 -0.04 3.93 4.12 1fp2A1 SER 66 H 0.01 0.10 -0.25 -0.55 8.46 7.78 1fp2A1 SER 66 HA 0.00 0.09 0.40 -0.75 4.49 4.22 1fp2A1 SER 66 HB2 0.00 0.04 0.08 -0.04 3.95 4.03 1fp2A1 SER 66 HB3 0.00 0.01 0.07 -0.04 3.93 3.97 1fp2A1 LYS 67 H 0.01 0.50 -0.51 -0.55 8.42 7.87 1fp2A1 LYS 67 HA -0.00 0.17 0.95 -0.75 4.32 4.68 1fp2A1 LYS 67 HB2 0.03 0.13 0.02 -0.04 1.87 2.01 1fp2A1 LYS 67 HB3 0.03 -0.04 0.12 -0.04 1.79 1.85 1fp2A1 LYS 67 HG2 0.01 -0.09 -0.26 -0.04 1.46 1.08 1fp2A1 LYS 67 HG3 0.02 0.06 -0.03 -0.04 1.46 1.47 1fp2A1 LYS 67 HD2 -0.01 -0.01 0.01 -0.04 1.69 1.64 1fp2A1 LYS 67 HD3 -0.01 0.03 0.04 -0.04 1.68 1.70 1fp2A1 LYS 67 HE2 -0.02 0.00 -0.02 -0.04 2.99 2.91 1fp2A1 LYS 67 HE3 -0.01 0.00 -0.08 -0.04 2.99 2.86 1fp2A1 ILE 68 H 0.02 0.43 -0.13 -0.55 8.25 8.02 1fp2A1 ILE 68 HA 0.04 0.08 0.43 -0.75 4.18 3.97 1fp2A1 ILE 68 HB 0.02 0.12 0.14 -0.04 1.89 2.13 1fp2A1 ILE 68 HG12 0.03 -0.01 -0.04 -0.04 1.49 1.43 1fp2A1 ILE 68 HG13 0.02 0.12 -0.06 -0.04 1.21 1.26 1fp2A1 ILE 68 HG23 0.03 -0.01 -0.15 -0.04 0.93 0.76 1fp2A1 ILE 68 HD13 0.02 0.01 -0.00 -0.04 0.88 0.86 1fp2A1 GLY 69 H 0.01 0.23 -0.17 -0.55 8.43 7.95 1fp2A1 GLY 69 HA2 0.01 0.05 0.44 -0.51 4.01 4.00 1fp2A1 GLY 69 HA3 -0.00 0.10 0.25 -0.51 4.01 3.85 1fp2A1 ASN 70 H -0.02 0.14 -0.44 -0.55 8.53 7.66 1fp2A1 ASN 70 HA -0.09 0.04 0.47 -0.75 4.76 4.42 1fp2A1 ASN 70 HB2 -0.05 0.16 0.15 -0.04 2.88 3.10 1fp2A1 ASN 70 HB3 -0.13 0.01 0.03 -0.04 2.79 2.66 1fp2A1 ASN 70 HD21 -0.07 0.03 -0.01 -0.04 7.03 6.94 1fp2A1 ASN 70 HD22 -0.11 -0.02 0.02 -0.04 7.74 7.59 1fp2A1 VAL 71 H 0.01 0.46 -0.14 -0.55 8.24 8.02 1fp2A1 VAL 71 HA 0.04 0.04 0.42 -0.75 4.13 3.88 1fp2A1 VAL 71 HB 0.08 0.14 0.18 -0.04 2.12 2.47 1fp2A1 VAL 71 HG13 0.18 -0.02 -0.15 -0.04 0.97 0.95 1fp2A1 VAL 71 HG23 0.22 0.04 0.00 -0.04 0.95 1.17 1fp2A1 ARG 72 H 0.02 0.52 -0.12 -0.55 8.46 8.33 1fp2A1 ARG 72 HA 0.05 -0.01 0.44 -0.75 4.34 4.07 1fp2A1 ARG 72 HB2 0.07 -0.01 0.10 -0.04 1.90 2.03 1fp2A1 ARG 72 HB3 0.03 0.16 0.15 -0.04 1.80 2.10 1fp2A1 ARG 72 HG2 0.08 -0.01 -0.18 -0.04 1.67 1.52 1fp2A1 ARG 72 HG3 0.15 -0.05 0.02 -0.04 1.67 1.75 1fp2A1 ARG 72 HD2 0.05 -0.00 -0.04 -0.04 3.22 3.19 1fp2A1 ARG 72 HD3 0.06 -0.04 -0.00 -0.04 3.22 3.19 1fp2A1 ARG 73 H -0.04 0.54 -0.18 -0.55 8.46 8.23 1fp2A1 ARG 73 HA 0.00 0.01 0.42 -0.75 4.34 4.02 1fp2A1 ARG 73 HB2 -0.09 0.07 0.17 -0.04 1.90 2.00 1fp2A1 ARG 73 HB3 -0.08 -0.03 0.02 -0.04 1.80 1.67 1fp2A1 ARG 73 HG2 -0.02 -0.03 0.01 -0.04 1.67 1.59 1fp2A1 ARG 73 HG3 -0.02 -0.01 0.02 -0.04 1.67 1.62 1fp2A1 ARG 73 HD2 -0.03 -0.04 -0.06 -0.04 3.22 3.05 1fp2A1 ARG 73 HD3 -0.05 0.02 -0.22 -0.04 3.22 2.94 1fp2A1 LEU 74 H -0.18 0.57 -0.15 -0.55 8.37 8.07 1fp2A1 LEU 74 HA -0.14 0.01 0.50 -0.75 4.35 3.96 1fp2A1 LEU 74 HB2 -0.66 0.13 0.18 -0.04 1.64 1.25 1fp2A1 LEU 74 HB3 -0.73 -0.03 -0.00 -0.04 1.64 0.83 1fp2A1 LEU 74 HG -0.46 -0.01 0.04 -0.04 1.64 1.17 1fp2A1 LEU 74 HD13 -1.36 0.00 -0.05 -0.04 0.93 -0.51 1fp2A1 LEU 74 HD23 -0.50 -0.01 0.02 -0.04 0.89 0.36 1fp2A1 MET 75 H -0.05 0.65 -0.12 -0.55 8.47 8.41 1fp2A1 MET 75 HA 0.03 0.02 0.44 -0.75 4.52 4.26 1fp2A1 MET 75 HB2 -0.34 0.07 0.08 -0.04 2.15 1.93 1fp2A1 MET 75 HB3 -0.97 -0.07 -0.10 -0.04 2.03 0.85 1fp2A1 MET 75 HG2 -0.01 0.19 0.02 -0.04 2.63 2.78 1fp2A1 MET 75 HG3 -0.56 -0.05 -0.08 -0.04 2.56 1.83 1fp2A1 MET 75 HE3 -1.39 -0.01 -0.11 -0.04 2.10 0.55 1fp2A1 ARG 76 H 0.05 0.60 -0.19 -0.55 8.46 8.37 1fp2A1 ARG 76 HA 0.16 0.00 0.51 -0.75 4.34 4.26 1fp2A1 ARG 76 HB2 0.09 0.14 0.15 -0.04 1.90 2.23 1fp2A1 ARG 76 HB3 0.10 -0.04 0.03 -0.04 1.80 1.85 1fp2A1 ARG 76 HG2 0.18 -0.07 0.00 -0.04 1.67 1.74 1fp2A1 ARG 76 HG3 0.15 0.15 0.06 -0.04 1.67 1.99 1fp2A1 ARG 76 HD2 0.07 0.02 -0.09 -0.04 3.22 3.18 1fp2A1 ARG 76 HD3 0.07 -0.02 -0.02 -0.04 3.22 3.21 1fp2A1 TYR 77 H 0.18 0.44 -0.25 -0.55 8.29 8.11 1fp2A1 TYR 77 HA 0.07 0.02 0.36 -0.75 4.56 4.25 1fp2A1 TYR 77 HB2 -0.03 0.07 0.13 -0.04 3.06 3.19 1fp2A1 TYR 77 HB3 -0.01 0.11 0.19 -0.04 2.98 3.23 1fp2A1 TYR 77 HD2 -0.00 0.01 -0.10 -0.04 7.15 7.02 1fp2A1 TYR 77 HE2 -0.02 -0.01 -0.09 -0.04 6.85 6.69 1fp2A1 LEU 78 H 0.28 0.65 -0.07 -0.55 8.37 8.69 1fp2A1 LEU 78 HA 0.27 0.03 0.42 -0.75 4.35 4.32 1fp2A1 LEU 78 HB2 0.45 0.11 0.09 -0.04 1.64 2.25 1fp2A1 LEU 78 HB3 0.45 -0.10 -0.08 -0.04 1.64 1.87 1fp2A1 LEU 78 HG 0.34 -0.00 -0.01 -0.04 1.64 1.92 1fp2A1 LEU 78 HD13 0.50 0.03 -0.10 -0.04 0.93 1.33 1fp2A1 LEU 78 HD23 0.12 -0.03 -0.19 -0.04 0.89 0.75 1fp2A1 ALA 79 H 0.25 0.54 -0.35 -0.55 8.40 8.30 1fp2A1 ALA 79 HA 0.23 -0.19 0.55 -0.75 4.34 4.18 1fp2A1 ALA 79 HB3 0.24 0.02 0.03 -0.04 1.41 1.65 1fp2A1 HIS 80 H 0.15 0.58 -0.07 -0.55 8.41 8.53 1fp2A1 HIS 80 HA -0.02 0.01 0.41 -0.75 4.63 4.27 1fp2A1 HIS 80 HB2 -0.03 0.00 0.14 -0.04 3.26 3.34 1fp2A1 HIS 80 HB3 -0.14 0.12 0.15 -0.04 3.20 3.28 1fp2A1 HIS 80 HD2 -0.02 -0.02 0.05 -0.04 6.97 6.93 1fp2A1 HIS 80 HE1 -0.07 -0.03 -0.03 -0.04 7.75 7.58 1fp2A1 ASN 81 H -0.03 0.32 -0.40 -0.55 8.53 7.87 1fp2A1 ASN 81 HA -0.20 0.06 0.55 -0.75 4.76 4.43 1fp2A1 ASN 81 HB2 0.13 0.07 0.13 -0.04 2.88 3.17 1fp2A1 ASN 81 HB3 0.07 -0.07 0.07 -0.04 2.79 2.82 1fp2A1 ASN 81 HD21 -0.24 -0.06 -0.02 -0.04 7.03 6.67 1fp2A1 ASN 81 HD22 0.05 -0.02 -0.03 -0.04 7.74 7.70 1fp2A1 GLY 82 H -0.13 0.49 -0.38 -0.55 8.43 7.87 1fp2A1 GLY 82 HA2 -0.20 0.06 0.31 -0.51 4.01 3.66 1fp2A1 GLY 82 HA3 -0.39 0.11 0.81 -0.51 4.01 4.03 1fp2A1 PHE 83 H -0.09 0.57 0.10 -0.55 8.34 8.37 1fp2A1 PHE 83 HA -0.25 0.02 0.81 -0.75 4.62 4.45 1fp2A1 PHE 83 HB2 -0.26 0.08 -0.05 -0.04 3.15 2.88 1fp2A1 PHE 83 HB3 -0.60 -0.06 0.02 -0.04 3.06 2.37 1fp2A1 PHE 83 HD2 -0.10 -0.01 -0.12 -0.04 7.28 7.01 1fp2A1 PHE 83 HE2 -0.03 0.00 -0.09 -0.04 7.38 7.22 1fp2A1 PHE 83 HZ -0.02 -0.01 -0.07 -0.04 7.32 7.18 1fp2A1 PHE 84 H 0.06 0.33 0.03 -0.55 8.34 8.20 1fp2A1 PHE 84 HA 0.10 0.23 0.62 -0.75 4.62 4.81 1fp2A1 PHE 84 HB2 0.13 -0.05 -0.13 -0.04 3.15 3.05 1fp2A1 PHE 84 HB3 0.17 -0.00 -0.05 -0.04 3.06 3.14 1fp2A1 PHE 84 HD2 0.11 0.02 -0.25 -0.04 7.28 7.12 1fp2A1 PHE 84 HE2 0.07 -0.02 -0.15 -0.04 7.38 7.24 1fp2A1 PHE 84 HZ 0.00 -0.04 -0.12 -0.04 7.32 7.13 1fp2A1 GLU 85 H 0.25 0.64 0.18 -0.55 8.60 9.13 1fp2A1 GLU 85 HA 0.11 0.19 0.90 -0.75 4.29 4.74 1fp2A1 GLU 85 HB2 0.06 0.01 -0.06 -0.04 2.09 2.06 1fp2A1 GLU 85 HB3 0.10 -0.04 0.05 -0.04 1.99 2.06 1fp2A1 GLU 85 HG2 0.06 0.14 -0.31 -0.04 2.34 2.19 1fp2A1 GLU 85 HG3 0.04 0.00 0.01 -0.04 2.34 2.36 1fp2A1 ILE 86 H 0.12 0.17 0.09 -0.55 8.25 8.07 1fp2A1 ILE 86 HA 0.07 0.30 0.80 -0.75 4.18 4.60 1fp2A1 ILE 86 HB 0.08 -0.02 0.11 -0.04 1.89 2.03 1fp2A1 ILE 86 HG12 0.34 0.04 -0.10 -0.04 1.49 1.73 1fp2A1 ILE 86 HG13 0.24 -0.04 -0.10 -0.04 1.21 1.28 1fp2A1 ILE 86 HG23 -0.01 -0.01 -0.14 -0.04 0.93 0.73 1fp2A1 ILE 86 HD13 0.18 -0.01 -0.02 -0.04 0.88 0.99 1fp2A1 ILE 87 H -0.06 0.63 0.31 -0.55 8.25 8.58 1fp2A1 ILE 87 HA -0.00 0.13 0.77 -0.75 4.18 4.33 1fp2A1 ILE 87 HB -0.02 -0.06 0.01 -0.04 1.89 1.78 1fp2A1 ILE 87 HG12 0.02 0.07 -0.11 -0.04 1.49 1.43 1fp2A1 ILE 87 HG13 0.03 0.01 -0.49 -0.04 1.21 0.73 1fp2A1 ILE 87 HG23 -0.01 0.00 -0.14 -0.04 0.93 0.74 1fp2A1 ILE 87 HD13 0.03 -0.01 -0.09 -0.04 0.88 0.77 1fp2A1 THR 88 H -0.01 0.22 0.11 -0.55 8.28 8.06 1fp2A1 THR 88 HA -0.05 0.25 1.12 -0.75 4.39 4.96 1fp2A1 THR 88 HB -0.01 0.00 0.09 -0.04 4.32 4.36 1fp2A1 THR 88 HG23 -0.01 0.02 -0.15 -0.04 1.22 1.03 1fp2A1 LYS 89 H -0.03 0.52 0.04 -0.55 8.42 8.39 1fp2A1 LYS 89 HA -0.01 0.16 0.60 -0.75 4.32 4.32 1fp2A1 LYS 89 HB2 -0.01 -0.24 0.23 -0.04 1.87 1.81 1fp2A1 LYS 89 HB3 -0.01 0.05 0.16 -0.04 1.79 1.95 1fp2A1 LYS 89 HG2 -0.02 -0.09 -0.62 -0.04 1.46 0.70 1fp2A1 LYS 89 HG3 -0.01 0.01 -0.11 -0.04 1.46 1.31 1fp2A1 LYS 89 HD2 -0.01 -0.01 0.00 -0.04 1.69 1.64 1fp2A1 LYS 89 HD3 -0.01 0.11 -0.14 -0.04 1.68 1.61 1fp2A1 LYS 89 HE2 -0.00 -0.01 -0.10 -0.04 2.99 2.83 1fp2A1 LYS 89 HE3 -0.00 -0.00 -0.04 -0.04 2.99 2.90 1fp2A1 GLU 90 H -0.01 0.15 0.14 -0.55 8.60 8.34 1fp2A1 GLU 90 HA -0.01 0.11 0.41 -0.75 4.29 4.05 1fp2A1 GLU 90 HB2 -0.01 -0.03 0.14 -0.04 2.09 2.15 1fp2A1 GLU 90 HB3 -0.01 0.01 0.03 -0.04 1.99 1.98 1fp2A1 GLU 90 HG2 -0.00 -0.01 0.06 -0.04 2.34 2.34 1fp2A1 GLU 90 HG3 -0.00 0.02 0.04 -0.04 2.34 2.36 1fp2A1 GLU 91 H -0.02 0.06 -0.23 -0.55 8.60 7.86 1fp2A1 GLU 91 HA -0.02 0.25 0.86 -0.75 4.29 4.63 1fp2A1 GLU 91 HB2 -0.03 -0.02 -0.08 -0.04 2.09 1.92 1fp2A1 GLU 91 HB3 -0.04 -0.04 0.12 -0.04 1.99 1.98 1fp2A1 GLU 91 HG2 -0.01 0.07 0.00 -0.04 2.34 2.36 1fp2A1 GLU 91 HG3 -0.01 -0.01 -0.33 -0.04 2.34 1.95 1fp2A1 GLU 92 H -0.06 0.11 0.18 -0.55 8.60 8.28 1fp2A1 GLU 92 HA -0.12 0.21 0.82 -0.75 4.29 4.44 1fp2A1 GLU 92 HB2 -0.06 0.04 0.09 -0.04 2.09 2.12 1fp2A1 GLU 92 HB3 -0.10 -0.10 0.19 -0.04 1.99 1.94 1fp2A1 GLU 92 HG2 -0.51 -0.03 -0.23 -0.04 2.34 1.53 1fp2A1 GLU 92 HG3 -0.20 0.08 -0.02 -0.04 2.34 2.16 1fp2A1 SER 93 H -0.22 0.75 0.36 -0.55 8.46 8.81 1fp2A1 SER 93 HA -0.37 0.23 0.78 -0.75 4.49 4.38 1fp2A1 SER 93 HB2 -0.09 0.05 -0.07 -0.04 3.95 3.80 1fp2A1 SER 93 HB3 -0.06 -0.02 -0.41 -0.04 3.93 3.40 1fp2A1 TYR 94 H -0.10 0.56 0.21 -0.55 8.29 8.41 1fp2A1 TYR 94 HA 0.04 0.26 0.99 -0.75 4.56 5.10 1fp2A1 TYR 94 HB2 -0.14 -0.01 0.09 -0.04 3.06 2.96 1fp2A1 TYR 94 HB3 -0.18 0.03 -0.09 -0.04 2.98 2.70 1fp2A1 TYR 94 HD2 -0.04 0.06 -0.16 -0.04 7.15 6.96 1fp2A1 TYR 94 HE2 -0.01 -0.04 -0.15 -0.04 6.85 6.61 1fp2A1 ALA 95 H 0.21 0.65 0.32 -0.55 8.40 9.04 1fp2A1 ALA 95 HA 0.16 0.14 0.90 -0.75 4.34 4.78 1fp2A1 ALA 95 HB3 0.10 0.01 0.04 -0.04 1.41 1.51 1fp2A1 LEU 96 H 0.15 0.14 0.08 -0.55 8.37 8.19 1fp2A1 LEU 96 HA 0.21 0.12 0.52 -0.75 4.35 4.44 1fp2A1 LEU 96 HB2 0.08 0.00 -0.03 -0.04 1.64 1.66 1fp2A1 LEU 96 HB3 0.07 0.02 -0.00 -0.04 1.64 1.69 1fp2A1 LEU 96 HG 0.15 -0.02 -0.03 -0.04 1.64 1.71 1fp2A1 LEU 96 HD13 0.07 0.02 -0.05 -0.04 0.93 0.93 1fp2A1 LEU 96 HD23 0.19 0.02 -0.03 -0.04 0.89 1.03 1fp2A1 THR 97 H -0.00 0.11 0.14 -0.55 8.28 7.99 1fp2A1 THR 97 HA 0.01 0.25 0.68 -0.75 4.39 4.58 1fp2A1 THR 97 HB -0.06 -0.06 0.13 -0.04 4.32 4.29 1fp2A1 THR 97 HG23 -0.01 0.05 -0.45 -0.04 1.22 0.77 1fp2A1 VAL 98 H -0.03 0.23 0.13 -0.55 8.24 8.02 1fp2A1 VAL 98 HA 0.00 0.12 0.43 -0.75 4.13 3.93 1fp2A1 VAL 98 HB -0.03 0.01 0.10 -0.04 2.12 2.16 1fp2A1 VAL 98 HG13 -0.00 0.01 -0.03 -0.04 0.97 0.91 1fp2A1 VAL 98 HG23 -0.01 0.02 0.05 -0.04 0.95 0.97 1fp2A1 ALA 99 H -0.07 0.14 -0.15 -0.55 8.40 7.78 1fp2A1 ALA 99 HA 0.02 0.10 0.47 -0.75 4.34 4.17 1fp2A1 ALA 99 HB3 -0.15 0.06 0.04 -0.04 1.41 1.33 1fp2A1 SER 100 H -0.02 0.08 -0.13 -0.55 8.46 7.84 1fp2A1 SER 100 HA 0.05 0.15 0.62 -0.75 4.49 4.55 1fp2A1 SER 100 HB2 -0.10 -0.05 0.14 -0.04 3.95 3.90 1fp2A1 SER 100 HB3 -0.26 0.12 0.19 -0.04 3.93 3.94 1fp2A1 GLU 101 H 0.01 0.42 -0.32 -0.55 8.60 8.17 1fp2A1 GLU 101 HA 0.03 0.04 0.53 -0.75 4.29 4.14 1fp2A1 GLU 101 HB2 0.02 0.16 0.15 -0.04 2.09 2.37 1fp2A1 GLU 101 HB3 0.02 -0.04 0.06 -0.04 1.99 2.00 1fp2A1 GLU 101 HG2 0.03 -0.01 -0.01 -0.04 2.34 2.31 1fp2A1 GLU 101 HG3 0.03 0.12 -0.06 -0.04 2.34 2.38 1fp2A1 LEU 102 H 0.03 0.31 -0.43 -0.55 8.37 7.73 1fp2A1 LEU 102 HA 0.03 0.26 0.61 -0.75 4.35 4.49 1fp2A1 LEU 102 HB2 0.06 0.23 0.09 -0.04 1.64 1.98 1fp2A1 LEU 102 HB3 0.05 -0.17 0.14 -0.04 1.64 1.62 1fp2A1 LEU 102 HG 0.03 0.15 0.13 -0.04 1.64 1.91 1fp2A1 LEU 102 HD13 0.06 -0.02 0.04 -0.04 0.93 0.97 1fp2A1 LEU 102 HD23 0.04 -0.01 0.04 -0.04 0.89 0.91 1fp2A1 LEU 103 H 0.02 0.44 -0.72 -0.55 8.37 7.57 1fp2A1 LEU 103 HA 0.01 -0.03 0.79 -0.75 4.35 4.36 1fp2A1 LEU 103 HB2 0.00 0.14 0.09 -0.04 1.64 1.83 1fp2A1 LEU 103 HB3 -0.01 -0.06 0.14 -0.04 1.64 1.66 1fp2A1 LEU 103 HG 0.02 0.07 -0.09 -0.04 1.64 1.59 1fp2A1 LEU 103 HD13 -0.11 -0.01 -0.01 -0.04 0.93 0.76 1fp2A1 LEU 103 HD23 -0.02 -0.01 -0.15 -0.04 0.89 0.67 1fp2A1 VAL 104 H 0.02 0.39 -0.21 -0.55 8.24 7.88 1fp2A1 VAL 104 HA 0.02 -0.02 0.53 -0.75 4.13 3.90 1fp2A1 VAL 104 HB 0.02 0.13 0.18 -0.04 2.12 2.41 1fp2A1 VAL 104 HG13 0.02 0.03 -0.12 -0.04 0.97 0.87 1fp2A1 VAL 104 HG23 0.04 0.01 -0.07 -0.04 0.95 0.89 1fp2A1 ARG 105 H 0.01 0.10 0.16 -0.55 8.46 8.18 1fp2A1 ARG 105 HA 0.01 0.02 0.37 -0.75 4.34 3.98 1fp2A1 ARG 105 HB2 0.01 0.01 0.07 -0.04 1.90 1.94 1fp2A1 ARG 105 HB3 0.00 0.03 -0.01 -0.04 1.80 1.79 1fp2A1 ARG 105 HG2 -0.00 0.00 0.05 -0.04 1.67 1.68 1fp2A1 ARG 105 HG3 -0.00 -0.02 0.12 -0.04 1.67 1.73 1fp2A1 ARG 105 HD2 -0.00 0.01 0.02 -0.04 3.22 3.21 1fp2A1 ARG 105 HD3 -0.00 0.01 0.00 -0.04 3.22 3.19 1fp2A1 GLY 106 H 0.01 0.12 0.15 -0.55 8.43 8.17 1fp2A1 GLY 106 HA2 0.01 0.01 0.35 -0.51 4.01 3.87 1fp2A1 GLY 106 HA3 0.01 0.04 0.34 -0.51 4.01 3.89 1fp2A1 SER 107 H 0.01 0.23 -0.68 -0.55 8.46 7.48 1fp2A1 SER 107 HA 0.01 0.04 0.46 -0.75 4.49 4.25 1fp2A1 SER 107 HB2 0.02 -0.07 0.08 -0.04 3.95 3.94 1fp2A1 SER 107 HB3 0.02 0.42 0.03 -0.04 3.93 4.36 1fp2A1 ASP 108 H 0.01 0.09 0.07 -0.55 8.40 8.02 1fp2A1 ASP 108 HA 0.01 0.10 0.35 -0.75 4.63 4.33 1fp2A1 ASP 108 HB2 0.01 -0.05 0.14 -0.04 2.71 2.77 1fp2A1 ASP 108 HB3 0.01 -0.01 -0.09 -0.04 2.70 2.58 1fp2A1 LEU 109 H 0.02 0.13 -0.13 -0.55 8.37 7.84 1fp2A1 LEU 109 HA 0.03 0.19 0.85 -0.75 4.35 4.66 1fp2A1 LEU 109 HB2 0.03 -0.01 -0.03 -0.04 1.64 1.59 1fp2A1 LEU 109 HB3 0.03 -0.04 0.13 -0.04 1.64 1.72 1fp2A1 LEU 109 HG 0.04 0.00 -0.27 -0.04 1.64 1.37 1fp2A1 LEU 109 HD13 0.05 0.02 0.04 -0.04 0.93 0.99 1fp2A1 LEU 109 HD23 0.05 -0.02 -0.02 -0.04 0.89 0.85 1fp2A1 CYS 110 H 0.02 0.28 0.05 -0.55 8.50 8.30 1fp2A1 CYS 110 HA 0.02 0.34 0.95 -0.75 4.58 5.14 1fp2A1 CYS 110 HB2 0.02 0.10 -0.12 -0.04 2.97 2.92 1fp2A1 CYS 110 HB3 0.01 -0.02 0.13 -0.04 2.97 3.05 1fp2A1 LEU 111 H 0.03 0.82 0.30 -0.55 8.37 8.97 1fp2A1 LEU 111 HA 0.02 0.16 0.76 -0.75 4.35 4.54 1fp2A1 LEU 111 HB2 0.04 0.07 0.05 -0.04 1.64 1.76 1fp2A1 LEU 111 HB3 0.03 -0.09 0.13 -0.04 1.64 1.68 1fp2A1 LEU 111 HG 0.04 0.04 -0.25 -0.04 1.64 1.44 1fp2A1 LEU 111 HD13 0.07 -0.01 -0.04 -0.04 0.93 0.91 1fp2A1 LEU 111 HD23 0.05 0.03 -0.24 -0.04 0.89 0.69 1fp2A1 ALA 112 H 0.01 0.20 -0.15 -0.55 8.40 7.91 1fp2A1 ALA 112 HA -0.01 0.02 0.35 -0.75 4.34 3.95 1fp2A1 ALA 112 HB3 -0.01 0.04 0.09 -0.04 1.41 1.48 1fp2A1 PRO 113 HA -0.00 0.06 0.42 -0.51 4.44 4.40 1fp2A1 PRO 113 HB2 -0.00 0.12 -0.19 -0.04 2.28 2.16 1fp2A1 PRO 113 HB3 -0.00 0.00 -0.08 -0.04 2.02 1.90 1fp2A1 PRO 113 HG2 0.00 0.12 0.00 -0.04 2.03 2.12 1fp2A1 PRO 113 HG3 -0.00 0.02 -0.03 -0.04 2.03 1.98 1fp2A1 PRO 113 HD2 0.01 0.24 -0.11 -0.04 3.68 3.77 1fp2A1 PRO 113 HD3 0.00 0.04 -0.03 -0.04 3.65 3.61 1fp2A1 MET 114 H 0.00 0.35 -0.38 -0.55 8.47 7.89 1fp2A1 MET 114 HA 0.00 0.02 0.52 -0.75 4.52 4.31 1fp2A1 MET 114 HB2 0.01 0.01 0.13 -0.04 2.15 2.25 1fp2A1 MET 114 HB3 0.01 0.12 0.11 -0.04 2.03 2.23 1fp2A1 MET 114 HG2 0.00 -0.02 -0.07 -0.04 2.63 2.50 1fp2A1 MET 114 HG3 -0.01 -0.02 0.03 -0.04 2.56 2.52 1fp2A1 MET 114 HE3 0.01 0.02 -0.02 -0.04 2.10 2.08 1fp2A1 VAL 115 H -0.00 0.37 -0.05 -0.55 8.24 8.00 1fp2A1 VAL 115 HA -0.01 0.01 0.38 -0.75 4.13 3.76 1fp2A1 VAL 115 HB -0.02 0.15 0.18 -0.04 2.12 2.39 1fp2A1 VAL 115 HG13 -0.03 -0.00 -0.15 -0.04 0.97 0.75 1fp2A1 VAL 115 HG23 -0.03 0.02 -0.01 -0.04 0.95 0.89 1fp2A1 GLU 116 H -0.00 0.43 -0.18 -0.55 8.60 8.30 1fp2A1 GLU 116 HA 0.00 0.06 0.29 -0.75 4.29 3.89 1fp2A1 GLU 116 HB2 -0.01 0.05 0.05 -0.04 2.09 2.14 1fp2A1 GLU 116 HB3 -0.01 -0.02 -0.04 -0.04 1.99 1.88 1fp2A1 GLU 116 HG2 -0.01 -0.02 -0.05 -0.04 2.34 2.21 1fp2A1 GLU 116 HG3 -0.02 0.11 -0.00 -0.04 2.34 2.40 1fp2A1 CYS 117 H 0.02 0.51 -0.15 -0.55 8.50 8.34 1fp2A1 CYS 117 HA 0.05 0.01 0.53 -0.75 4.58 4.43 1fp2A1 CYS 117 HB2 0.06 0.13 0.08 -0.04 2.97 3.20 1fp2A1 CYS 117 HB3 0.06 0.01 0.19 -0.04 2.97 3.19 1fp2A1 VAL 118 H 0.04 0.55 -0.04 -0.55 8.24 8.25 1fp2A1 VAL 118 HA 0.09 -0.02 0.41 -0.75 4.13 3.85 1fp2A1 VAL 118 HB 0.01 0.14 0.11 -0.04 2.12 2.34 1fp2A1 VAL 118 HG13 -0.02 -0.02 -0.11 -0.04 0.97 0.77 1fp2A1 VAL 118 HG23 0.03 -0.02 0.05 -0.04 0.95 0.96 1fp2A1 LEU 119 H 0.03 0.48 -0.32 -0.55 8.37 8.01 1fp2A1 LEU 119 HA 0.03 0.14 0.78 -0.75 4.35 4.55 1fp2A1 LEU 119 HB2 0.02 0.11 0.08 -0.04 1.64 1.81 1fp2A1 LEU 119 HB3 0.03 -0.08 0.12 -0.04 1.64 1.67 1fp2A1 LEU 119 HG 0.01 0.02 -0.03 -0.04 1.64 1.59 1fp2A1 LEU 119 HD13 0.01 -0.03 -0.00 -0.04 0.93 0.87 1fp2A1 LEU 119 HD23 0.00 0.00 -0.11 -0.04 0.89 0.75 1fp2A1 ASP 120 H 0.06 0.34 -0.60 -0.55 8.40 7.66 1fp2A1 ASP 120 HA 0.02 0.10 0.51 -0.75 4.63 4.51 1fp2A1 ASP 120 HB2 0.03 0.17 0.18 -0.04 2.71 3.05 1fp2A1 ASP 120 HB3 0.12 -0.06 0.13 -0.04 2.70 2.85 1fp2A1 PRO 121 HA 0.05 0.11 0.39 -0.51 4.44 4.48 1fp2A1 PRO 121 HB2 0.04 -0.00 0.05 -0.04 2.28 2.33 1fp2A1 PRO 121 HB3 0.03 0.04 0.08 -0.04 2.02 2.14 1fp2A1 PRO 121 HG2 0.03 0.03 0.10 -0.04 2.03 2.15 1fp2A1 PRO 121 HG3 0.04 0.10 0.10 -0.04 2.03 2.22 1fp2A1 PRO 121 HD2 0.04 0.04 0.23 -0.04 3.68 3.95 1fp2A1 PRO 121 HD3 0.03 0.22 0.29 -0.04 3.65 4.15 1fp2A1 THR 122 H 0.10 0.11 -0.17 -0.55 8.28 7.76 1fp2A1 THR 122 HA 0.00 0.14 0.42 -0.75 4.39 4.19 1fp2A1 THR 122 HB 0.10 -0.05 0.06 -0.04 4.32 4.39 1fp2A1 THR 122 HG23 -0.15 0.02 -0.10 -0.04 1.22 0.95 1fp2A1 LEU 123 H 0.06 0.06 -0.18 -0.55 8.37 7.76 1fp2A1 LEU 123 HA -0.33 0.06 0.42 -0.75 4.35 3.75 1fp2A1 LEU 123 HB2 0.07 0.16 0.14 -0.04 1.64 1.97 1fp2A1 LEU 123 HB3 -0.02 -0.01 0.05 -0.04 1.64 1.62 1fp2A1 LEU 123 HG 0.19 -0.07 0.05 -0.04 1.64 1.77 1fp2A1 LEU 123 HD13 0.22 0.04 0.02 -0.04 0.93 1.17 1fp2A1 LEU 123 HD23 -0.76 -0.01 -0.06 -0.04 0.89 0.02 1fp2A1 SER 124 H 0.08 0.58 -0.04 -0.55 8.46 8.54 1fp2A1 SER 124 HA 0.19 0.03 0.44 -0.75 4.49 4.39 1fp2A1 SER 124 HB2 0.00 -0.10 0.06 -0.04 3.95 3.86 1fp2A1 SER 124 HB3 0.04 0.29 0.20 -0.04 3.93 4.42 1fp2A1 GLY 125 H 0.09 0.37 -0.40 -0.55 8.43 7.94 1fp2A1 GLY 125 HA2 0.22 -0.03 0.41 -0.51 4.01 4.10 1fp2A1 GLY 125 HA3 0.11 0.18 0.33 -0.51 4.01 4.11 1fp2A1 SER 126 H 0.10 0.44 -0.56 -0.55 8.46 7.89 1fp2A1 SER 126 HA -0.01 0.03 0.37 -0.75 4.49 4.12 1fp2A1 SER 126 HB2 0.03 0.15 0.09 -0.04 3.95 4.18 1fp2A1 SER 126 HB3 -0.10 -0.11 0.01 -0.04 3.93 3.70 1fp2A1 TYR 127 H 0.27 0.52 -0.43 -0.55 8.29 8.09 1fp2A1 TYR 127 HA -0.12 0.01 0.28 -0.75 4.56 3.98 1fp2A1 TYR 127 HB2 -0.12 0.19 0.10 -0.04 3.06 3.19 1fp2A1 TYR 127 HB3 -0.13 -0.05 0.12 -0.04 2.98 2.87 1fp2A1 TYR 127 HD2 -0.11 0.10 0.07 -0.04 7.15 7.17 1fp2A1 TYR 127 HE2 -0.16 0.04 0.03 -0.04 6.85 6.72 1fp2A1 HIS 128 H 0.11 0.54 -0.43 -0.55 8.41 8.09 1fp2A1 HIS 128 HA 0.02 0.05 0.61 -0.75 4.63 4.55 1fp2A1 HIS 128 HB2 -0.01 0.23 0.12 -0.04 3.26 3.55 1fp2A1 HIS 128 HB3 -0.01 -0.07 0.06 -0.04 3.20 3.14 1fp2A1 HIS 128 HD2 -0.02 0.12 0.16 -0.04 6.97 7.19 1fp2A1 HIS 128 HE1 -0.14 -0.02 0.03 -0.04 7.75 7.57 1fp2A1 GLU 129 H 0.03 0.58 -0.27 -0.55 8.60 8.40 1fp2A1 GLU 129 HA 0.07 0.12 0.74 -0.75 4.29 4.47 1fp2A1 GLU 129 HB2 -0.01 0.20 0.14 -0.04 2.09 2.38 1fp2A1 GLU 129 HB3 0.05 -0.12 0.17 -0.04 1.99 2.05 1fp2A1 GLU 129 HG2 0.04 0.05 -0.05 -0.04 2.34 2.34 1fp2A1 GLU 129 HG3 0.01 0.03 -0.02 -0.04 2.34 2.32 1fp2A1 LEU 130 H 0.05 0.36 -0.39 -0.55 8.37 7.85 1fp2A1 LEU 130 HA 0.22 0.05 0.33 -0.75 4.35 4.19 1fp2A1 LEU 130 HB2 0.10 0.02 0.09 -0.04 1.64 1.81 1fp2A1 LEU 130 HB3 0.21 -0.01 0.02 -0.04 1.64 1.82 1fp2A1 LEU 130 HG 0.01 0.17 0.12 -0.04 1.64 1.90 1fp2A1 LEU 130 HD13 0.09 -0.00 0.04 -0.04 0.93 1.02 1fp2A1 LEU 130 HD23 -0.13 -0.01 0.01 -0.04 0.89 0.72 1fp2A1 LYS 131 H 0.11 0.16 -0.20 -0.55 8.42 7.94 1fp2A1 LYS 131 HA 0.11 0.07 0.33 -0.75 4.32 4.08 1fp2A1 LYS 131 HB2 0.10 0.02 0.07 -0.04 1.87 2.02 1fp2A1 LYS 131 HB3 0.10 -0.01 0.07 -0.04 1.79 1.91 1fp2A1 LYS 131 HG2 0.15 0.02 -0.25 -0.04 1.46 1.34 1fp2A1 LYS 131 HG3 0.27 0.00 -0.03 -0.04 1.46 1.66 1fp2A1 LYS 131 HD2 0.10 -0.00 -0.01 -0.04 1.69 1.73 1fp2A1 LYS 131 HD3 0.06 0.01 -0.02 -0.04 1.68 1.70 1fp2A1 LYS 131 HE2 0.01 0.01 -0.05 -0.04 2.99 2.91 1fp2A1 LYS 131 HE3 0.12 0.00 -0.03 -0.04 2.99 3.04 1fp2A1 LYS 132 H 0.12 0.10 -0.13 -0.55 8.42 7.95 1fp2A1 LYS 132 HA 0.13 0.04 0.40 -0.75 4.32 4.13 1fp2A1 LYS 132 HB2 0.07 -0.03 0.11 -0.04 1.87 1.97 1fp2A1 LYS 132 HB3 0.10 0.10 0.11 -0.04 1.79 2.06 1fp2A1 LYS 132 HG2 0.08 0.00 -0.17 -0.04 1.46 1.33 1fp2A1 LYS 132 HG3 0.05 -0.02 0.04 -0.04 1.46 1.49 1fp2A1 LYS 132 HD2 0.03 -0.02 0.01 -0.04 1.69 1.67 1fp2A1 LYS 132 HD3 0.04 0.04 -0.02 -0.04 1.68 1.70 1fp2A1 LYS 132 HE2 0.03 -0.02 -0.02 -0.04 2.99 2.94 1fp2A1 LYS 132 HE3 0.02 -0.03 -0.00 -0.04 2.99 2.93 1fp2A1 TRP 133 H 0.27 0.50 -0.25 -0.55 7.97 7.94 1fp2A1 TRP 133 HA -0.04 -0.01 0.30 -0.75 4.62 4.11 1fp2A1 TRP 133 HB2 -0.09 -0.05 0.02 -0.04 3.23 3.07 1fp2A1 TRP 133 HB3 -0.08 0.11 0.14 -0.04 3.23 3.35 1fp2A1 TRP 133 HD1 -0.10 0.03 -0.54 -0.04 7.22 6.57 1fp2A1 TRP 133 HE1 -0.12 0.01 0.07 -0.04 10.20 10.12 1fp2A1 TRP 133 HE3 -0.10 0.10 0.05 -0.04 7.59 7.61 1fp2A1 TRP 133 HZ2 -0.12 -0.01 0.06 -0.04 7.44 7.33 1fp2A1 TRP 133 HZ3 -0.08 -0.02 0.01 -0.04 7.13 7.00 1fp2A1 TRP 133 HH2 -0.09 0.00 0.03 -0.04 7.19 7.09 1fp2A1 ILE 134 H -0.01 0.55 -0.07 -0.55 8.25 8.17 1fp2A1 ILE 134 HA -1.00 0.04 0.39 -0.75 4.18 2.85 1fp2A1 ILE 134 HB -0.19 0.03 0.11 -0.04 1.89 1.80 1fp2A1 ILE 134 HG12 -0.31 -0.06 0.02 -0.04 1.49 1.10 1fp2A1 ILE 134 HG13 -0.50 0.02 0.14 -0.04 1.21 0.83 1fp2A1 ILE 134 HG23 -0.45 0.05 -0.04 -0.04 0.93 0.45 1fp2A1 ILE 134 HD13 -0.50 -0.01 0.03 -0.04 0.88 0.35 1fp2A1 TYR 135 H -0.05 0.34 -0.52 -0.55 8.29 7.51 1fp2A1 TYR 135 HA -0.13 0.10 0.71 -0.75 4.56 4.48 1fp2A1 TYR 135 HB2 -0.06 0.12 0.10 -0.04 3.06 3.19 1fp2A1 TYR 135 HB3 -0.06 -0.10 0.12 -0.04 2.98 2.90 1fp2A1 TYR 135 HD2 -0.05 0.11 0.00 -0.04 7.15 7.17 1fp2A1 TYR 135 HE2 -0.04 -0.05 -0.03 -0.04 6.85 6.70 1fp2A1 GLU 136 H -0.20 0.51 -0.29 -0.55 8.60 8.07 1fp2A1 GLU 136 HA -0.02 0.01 0.72 -0.75 4.29 4.25 1fp2A1 GLU 136 HB2 -0.11 0.29 0.15 -0.04 2.09 2.39 1fp2A1 GLU 136 HB3 -0.02 -0.35 0.02 -0.04 1.99 1.61 1fp2A1 GLU 136 HG2 0.04 0.26 -0.05 -0.04 2.34 2.54 1fp2A1 GLU 136 HG3 0.07 -0.07 -0.05 -0.04 2.34 2.25 1fp2A1 GLU 137 H -0.03 0.10 0.18 -0.55 8.60 8.30 1fp2A1 GLU 137 HA -0.09 0.15 0.37 -0.75 4.29 3.97 1fp2A1 GLU 137 HB2 -0.02 -0.10 0.09 -0.04 2.09 2.01 1fp2A1 GLU 137 HB3 -0.03 0.00 0.01 -0.04 1.99 1.93 1fp2A1 GLU 137 HG2 -0.03 0.04 0.05 -0.04 2.34 2.36 1fp2A1 GLU 137 HG3 -0.02 0.02 0.12 -0.04 2.34 2.42 1fp2A1 ASP 138 H -0.02 -0.09 -0.06 -0.55 8.40 7.68 1fp2A1 ASP 138 HA 0.00 0.33 1.12 -0.75 4.63 5.33 1fp2A1 ASP 138 HB2 0.02 -0.04 0.00 -0.04 2.71 2.64 1fp2A1 ASP 138 HB3 0.03 -0.02 -0.01 -0.04 2.70 2.65 1fp2A1 LEU 139 H 0.02 -0.05 0.01 -0.55 8.37 7.80 1fp2A1 LEU 139 HA 0.06 -0.05 0.33 -0.75 4.35 3.93 1fp2A1 LEU 139 HB2 0.08 0.03 0.03 -0.04 1.64 1.74 1fp2A1 LEU 139 HB3 0.08 0.06 -0.05 -0.04 1.64 1.69 1fp2A1 LEU 139 HG 0.03 -0.08 0.02 -0.04 1.64 1.57 1fp2A1 LEU 139 HD13 0.03 0.03 -0.11 -0.04 0.93 0.83 1fp2A1 LEU 139 HD23 0.03 -0.01 -0.09 -0.04 0.89 0.78 1fp2A1 THR 140 H 0.05 -0.05 0.18 -0.55 8.28 7.91 1fp2A1 THR 140 HA 0.22 0.25 0.58 -0.75 4.39 4.68 1fp2A1 THR 140 HB -0.24 0.13 0.03 -0.04 4.32 4.20 1fp2A1 THR 140 HG23 -0.06 0.04 -0.10 -0.04 1.22 1.07 1fp2A1 LEU 141 H -0.68 0.55 0.19 -0.55 8.37 7.88 1fp2A1 LEU 141 HA -0.40 0.09 0.40 -0.75 4.35 3.69 1fp2A1 LEU 141 HB2 -1.83 0.06 -0.05 -0.04 1.64 -0.22 1fp2A1 LEU 141 HB3 -1.05 -0.06 -0.14 -0.04 1.64 0.35 1fp2A1 LEU 141 HG -0.54 -0.03 -0.30 -0.04 1.64 0.73 1fp2A1 LEU 141 HD13 -0.35 0.04 -0.13 -0.04 0.93 0.45 1fp2A1 LEU 141 HD23 -1.39 -0.01 -0.21 -0.04 0.89 -0.77 1fp2A1 PHE 142 H -0.44 0.56 0.17 -0.55 8.34 8.08 1fp2A1 PHE 142 HA -0.32 0.10 0.61 -0.75 4.62 4.25 1fp2A1 PHE 142 HB2 -0.37 0.07 0.18 -0.04 3.15 3.00 1fp2A1 PHE 142 HB3 -0.31 -0.03 0.03 -0.04 3.06 2.72 1fp2A1 PHE 142 HD2 -0.70 -0.04 -0.01 -0.04 7.28 6.49 1fp2A1 PHE 142 HE2 -0.57 0.11 0.02 -0.04 7.38 6.91 1fp2A1 PHE 142 HZ -0.16 0.04 -0.01 -0.04 7.32 7.16 1fp2A1 GLY 143 H -0.05 0.08 -0.41 -0.55 8.43 7.50 1fp2A1 GLY 143 HA2 -0.03 0.21 0.34 -0.51 4.01 4.01 1fp2A1 GLY 143 HA3 -0.00 -0.07 0.23 -0.51 4.01 3.65 1fp2A1 VAL 144 H 0.00 0.42 -0.25 -0.55 8.24 7.87 1fp2A1 VAL 144 HA 0.02 0.03 0.46 -0.75 4.13 3.88 1fp2A1 VAL 144 HB 0.02 0.19 0.16 -0.04 2.12 2.45 1fp2A1 VAL 144 HG13 0.04 -0.02 -0.16 -0.04 0.97 0.79 1fp2A1 VAL 144 HG23 0.15 0.01 -0.08 -0.04 0.95 0.99 1fp2A1 THR 145 H -0.06 0.28 -0.14 -0.55 8.28 7.80 1fp2A1 THR 145 HA -0.06 0.16 0.64 -0.75 4.39 4.38 1fp2A1 THR 145 HB -0.10 -0.01 0.05 -0.04 4.32 4.23 1fp2A1 THR 145 HG23 -0.05 -0.00 0.05 -0.04 1.22 1.18 1fp2A1 LEU 146 H -0.16 0.62 0.09 -0.55 8.37 8.39 1fp2A1 LEU 146 HA -0.24 0.13 0.66 -0.75 4.35 4.15 1fp2A1 LEU 146 HB2 -0.31 0.09 0.01 -0.04 1.64 1.40 1fp2A1 LEU 146 HB3 -0.59 -0.06 0.04 -0.04 1.64 0.99 1fp2A1 LEU 146 HG -0.51 0.07 0.10 -0.04 1.64 1.25 1fp2A1 LEU 146 HD13 -1.34 -0.04 -0.06 -0.04 0.93 -0.54 1fp2A1 LEU 146 HD23 -0.76 0.01 -0.15 -0.04 0.89 -0.06 1fp2A1 GLY 147 H -0.07 0.27 -0.24 -0.55 8.43 7.85 1fp2A1 GLY 147 HA2 -0.02 0.05 0.28 -0.51 4.01 3.81 1fp2A1 GLY 147 HA3 -0.02 0.10 0.43 -0.51 4.01 4.01 1fp2A1 SER 148 H -0.05 0.28 -0.24 -0.55 8.46 7.91 1fp2A1 SER 148 HA 0.01 0.09 0.40 -0.75 4.49 4.24 1fp2A1 SER 148 HB2 0.03 -0.12 0.12 -0.04 3.95 3.95 1fp2A1 SER 148 HB3 0.03 0.16 -0.20 -0.04 3.93 3.88 1fp2A1 GLY 149 H 0.04 0.12 0.12 -0.55 8.43 8.15 1fp2A1 GLY 149 HA2 -0.01 0.11 0.51 -0.51 4.01 4.11 1fp2A1 GLY 149 HA3 0.04 0.02 0.35 -0.51 4.01 3.91 1fp2A1 PHE 150 H -0.10 0.18 0.16 -0.55 8.34 8.03 1fp2A1 PHE 150 HA -0.28 0.15 0.29 -0.75 4.62 4.03 1fp2A1 PHE 150 HB2 -0.36 0.05 0.13 -0.04 3.15 2.94 1fp2A1 PHE 150 HB3 -1.14 -0.01 0.13 -0.04 3.06 2.00 1fp2A1 PHE 150 HD2 -1.46 0.00 -0.03 -0.04 7.28 5.76 1fp2A1 PHE 150 HE2 -0.87 0.03 -0.03 -0.04 7.38 6.47 1fp2A1 PHE 150 HZ -0.30 0.04 -0.03 -0.04 7.32 6.99 1fp2A1 TRP 151 H -0.44 0.10 -0.06 -0.55 7.97 7.02 1fp2A1 TRP 151 HA -0.23 0.13 0.48 -0.75 4.62 4.25 1fp2A1 TRP 151 HB2 0.08 -0.01 0.06 -0.04 3.23 3.32 1fp2A1 TRP 151 HB3 0.03 0.03 0.06 -0.04 3.23 3.31 1fp2A1 TRP 151 HD1 0.23 -0.00 0.06 -0.04 7.22 7.47 1fp2A1 TRP 151 HE1 -0.21 0.11 0.06 -0.04 10.20 10.12 1fp2A1 TRP 151 HE3 -0.12 -0.01 0.01 -0.04 7.59 7.43 1fp2A1 TRP 151 HZ2 -0.02 0.08 0.05 -0.04 7.44 7.51 1fp2A1 TRP 151 HZ3 -0.21 0.03 -0.01 -0.04 7.13 6.89 1fp2A1 TRP 151 HH2 0.23 0.06 0.02 -0.04 7.19 7.45 1fp2A1 ASP 152 H 0.12 0.05 -0.23 -0.55 8.40 7.80 1fp2A1 ASP 152 HA 0.06 0.06 0.42 -0.75 4.63 4.41 1fp2A1 ASP 152 HB2 0.05 0.06 0.04 -0.04 2.71 2.82 1fp2A1 ASP 152 HB3 0.03 0.08 -0.05 -0.04 2.70 2.73 1fp2A1 PHE 153 H 0.03 0.43 -0.32 -0.55 8.34 7.93 1fp2A1 PHE 153 HA -0.15 0.06 0.34 -0.75 4.62 4.11 1fp2A1 PHE 153 HB2 -0.19 0.06 -0.08 -0.04 3.15 2.89 1fp2A1 PHE 153 HB3 -0.37 0.11 0.11 -0.04 3.06 2.86 1fp2A1 PHE 153 HD2 -0.37 0.05 -0.09 -0.04 7.28 6.82 1fp2A1 PHE 153 HE2 -0.59 0.01 -0.04 -0.04 7.38 6.71 1fp2A1 PHE 153 HZ -1.34 -0.03 -0.03 -0.04 7.32 5.87 1fp2A1 LEU 154 H -0.28 0.48 -0.15 -0.55 8.37 7.87 1fp2A1 LEU 154 HA -0.34 0.01 0.29 -0.75 4.35 3.55 1fp2A1 LEU 154 HB2 -0.14 0.09 0.13 -0.04 1.64 1.68 1fp2A1 LEU 154 HB3 -0.10 -0.05 0.00 -0.04 1.64 1.45 1fp2A1 LEU 154 HG -1.21 0.17 0.03 -0.04 1.64 0.59 1fp2A1 LEU 154 HD13 -0.46 -0.02 -0.02 -0.04 0.93 0.39 1fp2A1 LEU 154 HD23 -0.26 -0.01 -0.19 -0.04 0.89 0.39 1fp2A1 ASP 155 H -0.08 0.36 -0.35 -0.55 8.40 7.77 1fp2A1 ASP 155 HA -0.04 0.02 0.30 -0.75 4.63 4.16 1fp2A1 ASP 155 HB2 -0.02 0.16 0.13 -0.04 2.71 2.94 1fp2A1 ASP 155 HB3 -0.02 -0.03 0.02 -0.04 2.70 2.63 1fp2A1 LYS 156 H -0.19 0.37 -0.36 -0.55 8.42 7.69 1fp2A1 LYS 156 HA -0.09 0.10 0.67 -0.75 4.32 4.24 1fp2A1 LYS 156 HB2 -0.21 0.08 0.08 -0.04 1.87 1.79 1fp2A1 LYS 156 HB3 -0.13 -0.05 0.10 -0.04 1.79 1.67 1fp2A1 LYS 156 HG2 -0.05 -0.03 -0.00 -0.04 1.46 1.34 1fp2A1 LYS 156 HG3 -0.06 0.02 -0.05 -0.04 1.46 1.33 1fp2A1 LYS 156 HD2 -0.04 -0.01 -0.11 -0.04 1.69 1.50 1fp2A1 LYS 156 HD3 -0.05 -0.00 -0.02 -0.04 1.68 1.57 1fp2A1 LYS 156 HE2 -0.02 -0.01 -0.03 -0.04 2.99 2.89 1fp2A1 LYS 156 HE3 -0.01 -0.06 -0.05 -0.04 2.99 2.83 1fp2A1 ASN 157 H -0.27 0.37 -0.38 -0.55 8.53 7.70 1fp2A1 ASN 157 HA -0.13 0.18 0.92 -0.75 4.76 4.97 1fp2A1 ASN 157 HB2 -0.78 0.09 0.13 -0.04 2.88 2.27 1fp2A1 ASN 157 HB3 -0.14 -0.18 0.11 -0.04 2.79 2.54 1fp2A1 ASN 157 HD21 -0.50 0.00 -0.09 -0.04 7.03 6.41 1fp2A1 ASN 157 HD22 -1.13 0.40 0.01 -0.04 7.74 6.98 1fp2A1 PRO 158 HA -0.02 0.10 0.43 -0.51 4.44 4.44 1fp2A1 PRO 158 HB2 -0.02 -0.02 0.07 -0.04 2.28 2.27 1fp2A1 PRO 158 HB3 -0.01 0.06 0.07 -0.04 2.02 2.09 1fp2A1 PRO 158 HG2 -0.03 0.05 0.06 -0.04 2.03 2.07 1fp2A1 PRO 158 HG3 -0.03 0.12 0.03 -0.04 2.03 2.11 1fp2A1 PRO 158 HD2 -0.04 0.06 0.16 -0.04 3.68 3.83 1fp2A1 PRO 158 HD3 -0.07 0.32 -0.26 -0.04 3.65 3.60 1fp2A1 GLU 159 H -0.00 0.18 -0.13 -0.55 8.60 8.10 1fp2A1 GLU 159 HA -0.02 0.09 0.50 -0.75 4.29 4.10 1fp2A1 GLU 159 HB2 -0.04 0.00 0.07 -0.04 2.09 2.08 1fp2A1 GLU 159 HB3 -0.11 0.03 0.03 -0.04 1.99 1.90 1fp2A1 GLU 159 HG2 -0.03 0.03 0.04 -0.04 2.34 2.34 1fp2A1 GLU 159 HG3 -0.02 -0.03 0.05 -0.04 2.34 2.30 1fp2A1 TYR 160 H 0.14 0.27 -0.22 -0.55 8.29 7.92 1fp2A1 TYR 160 HA 0.05 0.06 0.54 -0.75 4.56 4.46 1fp2A1 TYR 160 HB2 -0.22 0.20 0.14 -0.04 3.06 3.14 1fp2A1 TYR 160 HB3 0.03 -0.04 -0.03 -0.04 2.98 2.91 1fp2A1 TYR 160 HD2 0.06 -0.01 0.02 -0.04 7.15 7.18 1fp2A1 TYR 160 HE2 0.06 -0.03 0.01 -0.04 6.85 6.85 1fp2A1 ASN 161 H 0.04 0.49 -0.04 -0.55 8.53 8.48 1fp2A1 ASN 161 HA 0.12 -0.02 0.48 -0.75 4.76 4.58 1fp2A1 ASN 161 HB2 -0.01 0.25 0.09 -0.04 2.88 3.17 1fp2A1 ASN 161 HB3 0.03 0.11 0.15 -0.04 2.79 3.04 1fp2A1 ASN 161 HD21 0.07 -0.01 -0.07 -0.04 7.03 6.98 1fp2A1 ASN 161 HD22 0.04 0.05 -0.09 -0.04 7.74 7.70 1fp2A1 THR 162 H 0.05 0.61 -0.10 -0.55 8.28 8.28 1fp2A1 THR 162 HA 0.06 0.02 0.39 -0.75 4.39 4.10 1fp2A1 THR 162 HB 0.01 0.09 0.19 -0.04 4.32 4.56 1fp2A1 THR 162 HG23 0.01 -0.01 -0.09 -0.04 1.22 1.09 1fp2A1 SER 163 H 0.04 0.54 -0.12 -0.55 8.46 8.38 1fp2A1 SER 163 HA 0.03 0.01 0.42 -0.75 4.49 4.20 1fp2A1 SER 163 HB2 -0.04 0.06 0.16 -0.04 3.95 4.09 1fp2A1 SER 163 HB3 0.05 0.07 0.23 -0.04 3.93 4.23 1fp2A1 PHE 164 H 0.28 0.63 -0.16 -0.55 8.34 8.54 1fp2A1 PHE 164 HA 0.14 -0.01 0.43 -0.75 4.62 4.43 1fp2A1 PHE 164 HB2 0.23 0.04 0.12 -0.04 3.15 3.50 1fp2A1 PHE 164 HB3 0.15 0.11 0.17 -0.04 3.06 3.44 1fp2A1 PHE 164 HD2 0.28 0.03 -0.05 -0.04 7.28 7.50 1fp2A1 PHE 164 HE2 0.33 -0.01 -0.02 -0.04 7.38 7.64 1fp2A1 PHE 164 HZ 0.49 0.03 0.00 -0.04 7.32 7.80 1fp2A1 ASN 165 H 0.19 0.72 -0.05 -0.55 8.53 8.84 1fp2A1 ASN 165 HA -0.03 -0.04 0.44 -0.75 4.76 4.38 1fp2A1 ASN 165 HB2 0.07 0.13 0.16 -0.04 2.88 3.20 1fp2A1 ASN 165 HB3 0.05 -0.07 -0.01 -0.04 2.79 2.72 1fp2A1 ASN 165 HD21 0.11 -0.02 -0.05 -0.04 7.03 7.03 1fp2A1 ASN 165 HD22 0.08 0.01 -0.05 -0.04 7.74 7.73 1fp2A1 ASP 166 H 0.02 0.72 -0.11 -0.55 8.40 8.48 1fp2A1 ASP 166 HA 0.00 0.01 0.46 -0.75 4.63 4.35 1fp2A1 ASP 166 HB2 0.01 0.13 0.13 -0.04 2.71 2.94 1fp2A1 ASP 166 HB3 0.00 -0.08 0.01 -0.04 2.70 2.59 1fp2A1 ALA 167 H -0.04 0.55 -0.23 -0.55 8.40 8.13 1fp2A1 ALA 167 HA -0.03 -0.07 0.25 -0.75 4.34 3.74 1fp2A1 ALA 167 HB3 -0.06 0.04 0.08 -0.04 1.41 1.43 1fp2A1 MET 168 H -0.29 0.66 -0.01 -0.55 8.47 8.28 1fp2A1 MET 168 HA -0.13 -0.01 0.44 -0.75 4.52 4.06 1fp2A1 MET 168 HB2 -0.18 0.11 0.15 -0.04 2.15 2.19 1fp2A1 MET 168 HB3 -0.05 -0.08 0.02 -0.04 2.03 1.88 1fp2A1 MET 168 HG2 -1.19 0.18 0.06 -0.04 2.63 1.64 1fp2A1 MET 168 HG3 -0.30 -0.04 0.01 -0.04 2.56 2.19 1fp2A1 MET 168 HE3 -0.06 -0.01 0.02 -0.04 2.10 2.01 1fp2A1 ALA 169 H -0.04 0.53 -0.32 -0.55 8.40 8.03 1fp2A1 ALA 169 HA 0.03 -0.05 0.44 -0.75 4.34 4.01 1fp2A1 ALA 169 HB3 0.01 0.03 0.10 -0.04 1.41 1.51 1fp2A1 SER 170 H -0.00 0.43 -0.33 -0.55 8.46 8.01 1fp2A1 SER 170 HA 0.02 0.03 0.37 -0.75 4.49 4.16 1fp2A1 SER 170 HB2 0.02 0.19 0.24 -0.04 3.95 4.36 1fp2A1 SER 170 HB3 0.00 0.08 0.21 -0.04 3.93 4.18 1fp2A1 ASP 171 H 0.06 0.28 -0.20 -0.55 8.40 7.99 1fp2A1 ASP 171 HA 0.06 0.22 0.99 -0.75 4.63 5.15 1fp2A1 ASP 171 HB2 0.11 -0.09 0.15 -0.04 2.71 2.84 1fp2A1 ASP 171 HB3 0.09 0.02 -0.00 -0.04 2.70 2.77 1fp2A1 SER 172 H 0.06 0.61 -0.31 -0.55 8.46 8.27 1fp2A1 SER 172 HA 0.08 -0.00 0.23 -0.75 4.49 4.04 1fp2A1 SER 172 HB2 0.06 -0.11 0.00 -0.04 3.95 3.86 1fp2A1 SER 172 HB3 0.07 0.15 0.15 -0.04 3.93 4.25 1fp2A1 LYS 173 H 0.03 0.27 -0.10 -0.55 8.42 8.07 1fp2A1 LYS 173 HA 0.02 0.06 0.35 -0.75 4.32 4.00 1fp2A1 LYS 173 HB2 0.02 0.01 0.07 -0.04 1.87 1.93 1fp2A1 LYS 173 HB3 0.01 0.03 -0.01 -0.04 1.79 1.78 1fp2A1 LYS 173 HG2 0.01 0.00 0.03 -0.04 1.46 1.47 1fp2A1 LYS 173 HG3 0.02 0.00 0.08 -0.04 1.46 1.52 1fp2A1 LYS 173 HD2 0.02 0.12 0.07 -0.04 1.69 1.85 1fp2A1 LYS 173 HD3 0.01 -0.01 0.02 -0.04 1.68 1.66 1fp2A1 LYS 173 HE2 0.01 -0.01 0.03 -0.04 2.99 2.98 1fp2A1 LYS 173 HE3 0.01 0.05 0.03 -0.04 2.99 3.04 1fp2A1 LEU 174 H 0.03 0.17 -0.26 -0.55 8.37 7.77 1fp2A1 LEU 174 HA 0.02 0.07 0.34 -0.75 4.35 4.03 1fp2A1 LEU 174 HB2 0.04 0.04 0.08 -0.04 1.64 1.77 1fp2A1 LEU 174 HB3 0.04 0.01 -0.09 -0.04 1.64 1.55 1fp2A1 LEU 174 HG 0.03 0.03 -0.01 -0.04 1.64 1.65 1fp2A1 LEU 174 HD13 0.04 -0.01 -0.04 -0.04 0.93 0.88 1fp2A1 LEU 174 HD23 0.02 0.00 -0.00 -0.04 0.89 0.87 1fp2A1 ILE 175 H 0.04 0.40 -0.16 -0.55 8.25 7.97 1fp2A1 ILE 175 HA 0.01 0.05 0.41 -0.75 4.18 3.90 1fp2A1 ILE 175 HB 0.02 0.08 0.06 -0.04 1.89 2.01 1fp2A1 ILE 175 HG12 0.00 -0.05 -0.04 -0.04 1.49 1.36 1fp2A1 ILE 175 HG13 0.05 0.07 0.04 -0.04 1.21 1.33 1fp2A1 ILE 175 HG23 -0.09 -0.02 -0.14 -0.04 0.93 0.64 1fp2A1 ILE 175 HD13 0.06 -0.02 -0.11 -0.04 0.88 0.77 1fp2A1 ASN 176 H 0.02 0.73 -0.04 -0.55 8.53 8.69 1fp2A1 ASN 176 HA 0.03 -0.01 0.34 -0.75 4.76 4.36 1fp2A1 ASN 176 HB2 0.02 0.10 0.07 -0.04 2.88 3.04 1fp2A1 ASN 176 HB3 0.02 -0.01 0.01 -0.04 2.79 2.76 1fp2A1 ASN 176 HD21 0.05 -0.15 -0.18 -0.04 7.03 6.71 1fp2A1 ASN 176 HD22 0.03 0.05 -0.24 -0.04 7.74 7.54 1fp2A1 LEU 177 H 0.01 0.64 -0.15 -0.55 8.37 8.32 1fp2A1 LEU 177 HA -0.01 0.05 0.46 -0.75 4.35 4.09 1fp2A1 LEU 177 HB2 0.00 0.06 0.10 -0.04 1.64 1.76 1fp2A1 LEU 177 HB3 -0.01 -0.03 -0.02 -0.04 1.64 1.55 1fp2A1 LEU 177 HG -0.00 0.05 0.06 -0.04 1.64 1.70 1fp2A1 LEU 177 HD13 -0.00 -0.02 -0.07 -0.04 0.93 0.79 1fp2A1 LEU 177 HD23 -0.03 -0.00 -0.03 -0.04 0.89 0.79 1fp2A1 ALA 178 H 0.01 0.41 -0.28 -0.55 8.40 8.00 1fp2A1 ALA 178 HA 0.02 0.02 0.37 -0.75 4.34 4.00 1fp2A1 ALA 178 HB3 0.02 0.03 0.06 -0.04 1.41 1.47 1fp2A1 LEU 179 H 0.03 0.53 -0.22 -0.55 8.37 8.16 1fp2A1 LEU 179 HA 0.04 0.01 0.37 -0.75 4.35 4.02 1fp2A1 LEU 179 HB2 0.03 -0.06 0.02 -0.04 1.64 1.59 1fp2A1 LEU 179 HB3 0.07 0.10 0.12 -0.04 1.64 1.88 1fp2A1 LEU 179 HG 0.35 0.07 -0.42 -0.04 1.64 1.61 1fp2A1 LEU 179 HD13 -0.02 -0.02 -0.07 -0.04 0.93 0.78 1fp2A1 LEU 179 HD23 0.11 -0.03 -0.11 -0.04 0.89 0.82 1fp2A1 ARG 180 H 0.04 0.58 -0.10 -0.55 8.46 8.43 1fp2A1 ARG 180 HA 0.05 0.03 0.32 -0.75 4.34 3.99 1fp2A1 ARG 180 HB2 -0.20 0.01 0.03 -0.04 1.90 1.70 1fp2A1 ARG 180 HB3 -0.07 -0.04 -0.01 -0.04 1.80 1.63 1fp2A1 ARG 180 HG2 -0.09 -0.07 -0.06 -0.04 1.67 1.41 1fp2A1 ARG 180 HG3 -0.04 0.14 0.10 -0.04 1.67 1.84 1fp2A1 ARG 180 HD2 -0.09 0.04 -0.63 -0.04 3.22 2.49 1fp2A1 ARG 180 HD3 -0.23 -0.01 -0.12 -0.04 3.22 2.83 1fp2A1 ASP 181 H 0.04 0.37 -0.60 -0.55 8.40 7.66 1fp2A1 ASP 181 HA 0.03 0.06 0.50 -0.75 4.63 4.47 1fp2A1 ASP 181 HB2 0.03 0.15 0.08 -0.04 2.71 2.92 1fp2A1 ASP 181 HB3 0.04 -0.12 0.10 -0.04 2.70 2.68 1fp2A1 CYS 182 H 0.09 0.54 -0.45 -0.55 8.50 8.13 1fp2A1 CYS 182 HA 0.03 0.06 0.77 -0.75 4.58 4.69 1fp2A1 CYS 182 HB2 -0.19 0.24 0.24 -0.04 2.97 3.22 1fp2A1 CYS 182 HB3 -1.05 -0.21 0.08 -0.04 2.97 1.75 1fp2A1 ASP 183 H 0.12 0.32 0.05 -0.55 8.40 8.33 1fp2A1 ASP 183 HA 0.18 0.13 0.28 -0.75 4.63 4.48 1fp2A1 ASP 183 HB2 0.14 -0.03 0.11 -0.04 2.71 2.89 1fp2A1 ASP 183 HB3 0.12 -0.02 0.00 -0.04 2.70 2.76 1fp2A1 PHE 184 H 0.21 0.09 -0.22 -0.55 8.34 7.86 1fp2A1 PHE 184 HA 0.00 0.07 0.29 -0.75 4.62 4.23 1fp2A1 PHE 184 HB2 -0.00 0.04 0.02 -0.04 3.15 3.17 1fp2A1 PHE 184 HB3 0.01 -0.03 0.05 -0.04 3.06 3.05 1fp2A1 PHE 184 HD2 -0.00 0.00 -0.16 -0.04 7.28 7.08 1fp2A1 PHE 184 HE2 -0.02 0.02 -0.08 -0.04 7.38 7.26 1fp2A1 PHE 184 HZ -0.02 0.02 -0.07 -0.04 7.32 7.21 1fp2A1 VAL 185 H -0.78 0.31 -0.45 -0.55 8.24 6.76 1fp2A1 VAL 185 HA -0.36 0.06 0.52 -0.75 4.13 3.60 1fp2A1 VAL 185 HB -0.76 0.22 0.07 -0.04 2.12 1.61 1fp2A1 VAL 185 HG13 -1.05 -0.02 -0.19 -0.04 0.97 -0.34 1fp2A1 VAL 185 HG23 -0.78 -0.05 -0.05 -0.04 0.95 0.04 1fp2A1 PHE 186 H -0.15 0.24 -0.11 -0.55 8.34 7.77 1fp2A1 PHE 186 HA -0.26 0.20 0.69 -0.75 4.62 4.49 1fp2A1 PHE 186 HB2 -0.67 0.04 0.01 -0.04 3.15 2.49 1fp2A1 PHE 186 HB3 -0.98 -0.03 0.01 -0.04 3.06 2.02 1fp2A1 PHE 186 HD2 -0.25 0.10 -0.10 -0.04 7.28 6.99 1fp2A1 PHE 186 HE2 -0.07 0.07 -0.19 -0.04 7.38 7.15 1fp2A1 PHE 186 HZ -0.04 -0.11 -0.19 -0.04 7.32 6.95 1fp2A1 ASP 187 H -0.04 0.49 -0.06 -0.55 8.40 8.25 1fp2A1 ASP 187 HA -0.01 -0.06 0.35 -0.75 4.63 4.16 1fp2A1 ASP 187 HB2 0.02 0.07 0.05 -0.04 2.71 2.81 1fp2A1 ASP 187 HB3 0.02 -0.03 -0.07 -0.04 2.70 2.58 1fp2A1 GLY 188 H -0.01 0.09 0.17 -0.55 8.43 8.12 1fp2A1 GLY 188 HA2 -0.01 -0.05 0.35 -0.51 4.01 3.79 1fp2A1 GLY 188 HA3 -0.01 0.08 0.40 -0.51 4.01 3.97 1fp2A1 LEU 189 H -0.06 0.51 -0.47 -0.55 8.37 7.81 1fp2A1 LEU 189 HA -0.04 0.03 0.52 -0.75 4.35 4.10 1fp2A1 LEU 189 HB2 -0.05 0.04 -0.02 -0.04 1.64 1.57 1fp2A1 LEU 189 HB3 -0.04 -0.10 -0.06 -0.04 1.64 1.40 1fp2A1 LEU 189 HG -0.12 0.17 -0.12 -0.04 1.64 1.53 1fp2A1 LEU 189 HD13 -0.17 -0.01 -0.09 -0.04 0.93 0.62 1fp2A1 LEU 189 HD23 -0.07 -0.02 -0.08 -0.04 0.89 0.68 1fp2A1 GLU 190 H -0.02 0.04 0.29 -0.55 8.60 8.36 1fp2A1 GLU 190 HA -0.01 0.26 1.00 -0.75 4.29 4.79 1fp2A1 GLU 190 HB2 -0.01 -0.04 0.13 -0.04 2.09 2.13 1fp2A1 GLU 190 HB3 -0.01 -0.02 0.13 -0.04 1.99 2.06 1fp2A1 GLU 190 HG2 -0.00 0.03 -0.02 -0.04 2.34 2.30 1fp2A1 GLU 190 HG3 -0.01 0.12 -0.19 -0.04 2.34 2.22 1fp2A1 SER 191 H -0.02 0.09 0.27 -0.55 8.46 8.26 1fp2A1 SER 191 HA -0.01 0.39 0.84 -0.75 4.49 4.96 1fp2A1 SER 191 HB2 -0.02 0.08 0.08 -0.04 3.95 4.05 1fp2A1 SER 191 HB3 -0.01 0.08 -0.09 -0.04 3.93 3.87 1fp2A1 ILE 192 H -0.01 0.67 0.36 -0.55 8.25 8.72 1fp2A1 ILE 192 HA -0.04 0.17 0.76 -0.75 4.18 4.32 1fp2A1 ILE 192 HB 0.01 0.07 -0.20 -0.04 1.89 1.73 1fp2A1 ILE 192 HG12 -0.00 -0.10 -0.35 -0.04 1.49 0.99 1fp2A1 ILE 192 HG13 -0.05 0.08 -0.22 -0.04 1.21 0.98 1fp2A1 ILE 192 HG23 0.06 0.01 -0.13 -0.04 0.93 0.83 1fp2A1 ILE 192 HD13 -0.02 -0.00 -0.22 -0.04 0.88 0.60 1fp2A1 VAL 193 H -0.04 0.65 0.33 -0.55 8.24 8.63 1fp2A1 VAL 193 HA -0.01 0.17 1.02 -0.75 4.13 4.56 1fp2A1 VAL 193 HB -0.06 0.07 -0.08 -0.04 2.12 2.00 1fp2A1 VAL 193 HG13 -0.10 0.05 0.03 -0.04 0.97 0.92 1fp2A1 VAL 193 HG23 -0.07 -0.03 -0.18 -0.04 0.95 0.63 1fp2A1 ASP 194 H 0.03 0.70 0.29 -0.55 8.40 8.87 1fp2A1 ASP 194 HA 0.02 0.09 0.84 -0.75 4.63 4.84 1fp2A1 ASP 194 HB2 0.03 0.04 0.03 -0.04 2.71 2.77 1fp2A1 ASP 194 HB3 0.04 -0.07 0.27 -0.04 2.70 2.90 1fp2A1 VAL 195 H 0.03 0.64 0.35 -0.55 8.24 8.71 1fp2A1 VAL 195 HA 0.27 0.04 0.70 -0.75 4.13 4.38 1fp2A1 VAL 195 HB 0.02 0.09 0.16 -0.04 2.12 2.34 1fp2A1 VAL 195 HG13 0.09 -0.02 -0.14 -0.04 0.97 0.85 1fp2A1 VAL 195 HG23 -0.08 0.03 -0.06 -0.04 0.95 0.80 1fp2A1 GLY 196 H 0.16 0.35 0.32 -0.55 8.43 8.70 1fp2A1 GLY 196 HA2 -0.01 -0.09 0.47 -0.51 4.01 3.86 1fp2A1 GLY 196 HA3 0.05 0.09 0.74 -0.51 4.01 4.38 1fp2A1 GLY 197 H 0.09 0.56 0.06 -0.55 8.43 8.59 1fp2A1 GLY 197 HA2 0.08 0.04 0.18 -0.51 4.01 3.80 1fp2A1 GLY 197 HA3 0.08 0.04 0.26 -0.51 4.01 3.87 1fp2A1 GLY 198 H 0.06 0.04 -0.61 -0.55 8.43 7.37 1fp2A1 GLY 198 HA2 0.09 0.04 0.24 -0.51 4.01 3.87 1fp2A1 GLY 198 HA3 0.11 0.02 0.37 -0.51 4.01 3.99 1fp2A1 THR 199 H 0.10 0.10 0.17 -0.55 8.28 8.10 1fp2A1 THR 199 HA 0.11 0.28 0.62 -0.75 4.39 4.65 1fp2A1 THR 199 HB 0.05 0.09 0.13 -0.04 4.32 4.54 1fp2A1 THR 199 HG23 0.05 0.03 -0.04 -0.04 1.22 1.22 1fp2A1 GLY 200 H 0.14 0.37 -0.26 -0.55 8.43 8.13 1fp2A1 GLY 200 HA2 0.08 -0.03 0.19 -0.51 4.01 3.73 1fp2A1 GLY 200 HA3 0.18 0.25 0.49 -0.51 4.01 4.42 1fp2A1 THR 201 H 0.09 0.07 -0.04 -0.55 8.28 7.84 1fp2A1 THR 201 HA 0.05 0.16 0.24 -0.75 4.39 4.09 1fp2A1 THR 201 HB 0.06 -0.06 0.09 -0.04 4.32 4.37 1fp2A1 THR 201 HG23 0.04 0.02 -0.11 -0.04 1.22 1.14 1fp2A1 THR 202 H 0.06 0.10 -0.09 -0.55 8.28 7.80 1fp2A1 THR 202 HA 0.04 0.10 0.40 -0.75 4.39 4.17 1fp2A1 THR 202 HB 0.05 -0.04 0.03 -0.04 4.32 4.33 1fp2A1 THR 202 HG23 0.06 0.02 -0.16 -0.04 1.22 1.10 1fp2A1 ALA 203 H 0.03 0.03 -0.28 -0.55 8.40 7.63 1fp2A1 ALA 203 HA 0.02 0.05 0.25 -0.75 4.34 3.90 1fp2A1 ALA 203 HB3 -0.03 0.03 -0.05 -0.04 1.41 1.32 1fp2A1 LYS 204 H 0.02 0.55 -0.28 -0.55 8.42 8.16 1fp2A1 LYS 204 HA -0.00 0.07 0.43 -0.75 4.32 4.07 1fp2A1 LYS 204 HB2 0.02 0.10 0.10 -0.04 1.87 2.05 1fp2A1 LYS 204 HB3 0.01 -0.03 -0.01 -0.04 1.79 1.72 1fp2A1 LYS 204 HG2 0.04 -0.00 -0.00 -0.04 1.46 1.46 1fp2A1 LYS 204 HG3 0.04 0.06 0.03 -0.04 1.46 1.55 1fp2A1 LYS 204 HD2 0.06 -0.06 -0.18 -0.04 1.69 1.47 1fp2A1 LYS 204 HD3 0.04 -0.04 -0.05 -0.04 1.68 1.60 1fp2A1 LYS 204 HE2 0.10 0.01 -0.04 -0.04 2.99 3.02 1fp2A1 LYS 204 HE3 0.16 0.04 -0.04 -0.04 2.99 3.10 1fp2A1 ILE 205 H 0.00 0.34 -0.19 -0.55 8.25 7.85 1fp2A1 ILE 205 HA -0.04 0.04 0.36 -0.75 4.18 3.78 1fp2A1 ILE 205 HB -0.01 0.07 0.12 -0.04 1.89 2.03 1fp2A1 ILE 205 HG12 -0.02 -0.00 -0.03 -0.04 1.49 1.40 1fp2A1 ILE 205 HG13 0.00 0.08 0.03 -0.04 1.21 1.28 1fp2A1 ILE 205 HG23 -0.05 -0.01 -0.23 -0.04 0.93 0.60 1fp2A1 ILE 205 HD13 0.01 -0.03 -0.07 -0.04 0.88 0.74 1fp2A1 ILE 206 H -0.02 0.44 -0.17 -0.55 8.25 7.95 1fp2A1 ILE 206 HA -0.11 0.03 0.37 -0.75 4.18 3.72 1fp2A1 ILE 206 HB 0.01 0.06 0.07 -0.04 1.89 1.99 1fp2A1 ILE 206 HG12 -0.07 0.01 -0.09 -0.04 1.49 1.30 1fp2A1 ILE 206 HG13 0.03 0.07 -0.07 -0.04 1.21 1.21 1fp2A1 ILE 206 HG23 -0.03 0.01 -0.23 -0.04 0.93 0.64 1fp2A1 ILE 206 HD13 0.20 -0.04 -0.19 -0.04 0.88 0.81 1fp2A1 CYS 207 H -0.02 0.56 -0.19 -0.55 8.50 8.30 1fp2A1 CYS 207 HA 0.02 0.17 0.27 -0.75 4.58 4.28 1fp2A1 CYS 207 HB2 -0.01 0.01 0.10 -0.04 2.97 3.02 1fp2A1 CYS 207 HB3 -0.01 0.03 -0.03 -0.04 2.97 2.92 1fp2A1 GLU 208 H -0.06 0.48 -0.23 -0.55 8.60 8.24 1fp2A1 GLU 208 HA -0.06 0.01 0.40 -0.75 4.29 3.90 1fp2A1 GLU 208 HB2 -0.07 0.06 0.12 -0.04 2.09 2.15 1fp2A1 GLU 208 HB3 -0.07 -0.08 -0.00 -0.04 1.99 1.80 1fp2A1 GLU 208 HG2 -0.03 -0.06 0.01 -0.04 2.34 2.22 1fp2A1 GLU 208 HG3 -0.03 0.10 0.03 -0.04 2.34 2.40 1fp2A1 THR 209 H -0.20 0.35 -0.42 -0.55 8.28 7.46 1fp2A1 THR 209 HA -0.34 0.01 0.53 -0.75 4.39 3.84 1fp2A1 THR 209 HB -0.76 0.12 0.11 -0.04 4.32 3.75 1fp2A1 THR 209 HG23 -1.05 -0.02 -0.05 -0.04 1.22 0.06 1fp2A1 PHE 210 H -0.13 0.54 -0.12 -0.55 8.34 8.08 1fp2A1 PHE 210 HA -0.07 0.10 0.80 -0.75 4.62 4.70 1fp2A1 PHE 210 HB2 -0.15 0.07 0.14 -0.04 3.15 3.18 1fp2A1 PHE 210 HB3 -0.07 -0.09 0.06 -0.04 3.06 2.92 1fp2A1 PHE 210 HD2 -0.31 0.03 -0.01 -0.04 7.28 6.95 1fp2A1 PHE 210 HE2 -0.58 -0.06 -0.05 -0.04 7.38 6.65 1fp2A1 PHE 210 HZ -0.12 0.07 -0.07 -0.04 7.32 7.15 1fp2A1 PRO 211 HA 0.01 0.24 0.40 -0.51 4.44 4.58 1fp2A1 PRO 211 HB2 0.00 -0.07 -0.02 -0.04 2.28 2.15 1fp2A1 PRO 211 HB3 -0.01 -0.01 0.09 -0.04 2.02 2.05 1fp2A1 PRO 211 HG2 -0.03 -0.05 0.01 -0.04 2.03 1.92 1fp2A1 PRO 211 HG3 -0.05 0.19 -0.06 -0.04 2.03 2.08 1fp2A1 PRO 211 HD2 0.01 -0.02 0.10 -0.04 3.68 3.72 1fp2A1 PRO 211 HD3 -0.09 0.39 -0.40 -0.04 3.65 3.51 1fp2A1 LYS 212 H 0.06 0.05 -0.41 -0.55 8.42 7.57 1fp2A1 LYS 212 HA 0.02 0.20 0.87 -0.75 4.32 4.65 1fp2A1 LYS 212 HB2 0.04 0.01 -0.02 -0.04 1.87 1.86 1fp2A1 LYS 212 HB3 0.02 -0.02 0.11 -0.04 1.79 1.86 1fp2A1 LYS 212 HG2 0.02 -0.01 -0.05 -0.04 1.46 1.38 1fp2A1 LYS 212 HG3 0.02 -0.05 -0.18 -0.04 1.46 1.22 1fp2A1 LYS 212 HD2 0.04 0.02 -0.03 -0.04 1.69 1.67 1fp2A1 LYS 212 HD3 0.02 -0.00 -0.01 -0.04 1.68 1.64 1fp2A1 LYS 212 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.92 1fp2A1 LYS 212 HE3 0.01 0.01 -0.04 -0.04 2.99 2.93 1fp2A1 LEU 213 H 0.07 0.43 -0.17 -0.55 8.37 8.14 1fp2A1 LEU 213 HA 0.01 0.12 0.52 -0.75 4.35 4.25 1fp2A1 LEU 213 HB2 0.02 -0.06 -0.03 -0.04 1.64 1.53 1fp2A1 LEU 213 HB3 0.06 0.14 0.02 -0.04 1.64 1.83 1fp2A1 LEU 213 HG 0.02 0.05 -0.51 -0.04 1.64 1.15 1fp2A1 LEU 213 HD13 -0.01 0.03 -0.51 -0.04 0.93 0.41 1fp2A1 LEU 213 HD23 -0.00 -0.02 -0.19 -0.04 0.89 0.63 1fp2A1 LYS 214 H 0.00 0.51 0.28 -0.55 8.42 8.66 1fp2A1 LYS 214 HA -0.00 0.18 0.69 -0.75 4.32 4.43 1fp2A1 LYS 214 HB2 -0.00 0.00 0.18 -0.04 1.87 2.01 1fp2A1 LYS 214 HB3 -0.01 -0.04 0.35 -0.04 1.79 2.06 1fp2A1 LYS 214 HG2 -0.01 -0.02 -0.32 -0.04 1.46 1.07 1fp2A1 LYS 214 HG3 -0.01 0.01 0.02 -0.04 1.46 1.44 1fp2A1 LYS 214 HD2 -0.01 -0.01 -0.01 -0.04 1.69 1.63 1fp2A1 LYS 214 HD3 -0.01 -0.05 -0.03 -0.04 1.68 1.55 1fp2A1 LYS 214 HE2 -0.01 -0.02 -0.14 -0.04 2.99 2.78 1fp2A1 LYS 214 HE3 -0.00 -0.02 -0.09 -0.04 2.99 2.84 1fp2A1 CYS 215 H -0.02 0.79 0.39 -0.55 8.50 9.12 1fp2A1 CYS 215 HA -0.01 0.26 1.10 -0.75 4.58 5.18 1fp2A1 CYS 215 HB2 0.01 0.08 -0.21 -0.04 2.97 2.80 1fp2A1 CYS 215 HB3 -0.03 -0.01 0.10 -0.04 2.97 2.98 1fp2A1 ILE 216 H -0.02 0.61 0.42 -0.55 8.25 8.71 1fp2A1 ILE 216 HA -0.06 0.20 0.95 -0.75 4.18 4.52 1fp2A1 ILE 216 HB -0.01 -0.04 0.13 -0.04 1.89 1.93 1fp2A1 ILE 216 HG12 -0.00 -0.01 -0.12 -0.04 1.49 1.31 1fp2A1 ILE 216 HG13 -0.02 -0.01 -0.26 -0.04 1.21 0.89 1fp2A1 ILE 216 HG23 0.07 -0.03 -0.34 -0.04 0.93 0.59 1fp2A1 ILE 216 HD13 -0.02 0.01 -0.12 -0.04 0.88 0.71 1fp2A1 VAL 217 H -0.17 0.77 0.32 -0.55 8.24 8.61 1fp2A1 VAL 217 HA 0.01 0.02 0.75 -0.75 4.13 4.17 1fp2A1 VAL 217 HB -0.37 0.03 0.15 -0.04 2.12 1.90 1fp2A1 VAL 217 HG13 0.16 -0.03 -0.35 -0.04 0.97 0.71 1fp2A1 VAL 217 HG23 -0.24 0.01 -0.09 -0.04 0.95 0.59 1fp2A1 PHE 218 H 0.18 0.61 0.33 -0.55 8.34 8.91 1fp2A1 PHE 218 HA 0.03 0.40 1.02 -0.75 4.62 5.32 1fp2A1 PHE 218 HB2 -0.01 0.04 -0.12 -0.04 3.15 3.03 1fp2A1 PHE 218 HB3 -0.01 -0.03 0.11 -0.04 3.06 3.10 1fp2A1 PHE 218 HD2 -0.01 -0.09 -0.08 -0.04 7.28 7.06 1fp2A1 PHE 218 HE2 -0.02 -0.05 -0.23 -0.04 7.38 7.04 1fp2A1 PHE 218 HZ -0.01 -0.00 -0.28 -0.04 7.32 6.99 1fp2A1 ASP 219 H -0.34 0.65 0.35 -0.55 8.40 8.52 1fp2A1 ASP 219 HA -0.26 -0.01 0.60 -0.75 4.63 4.21 1fp2A1 ASP 219 HB2 -0.01 0.01 -0.32 -0.04 2.71 2.36 1fp2A1 ASP 219 HB3 -0.05 0.14 -0.01 -0.04 2.70 2.74 1fp2A1 ARG 220 H -0.14 0.08 0.20 -0.55 8.46 8.05 1fp2A1 ARG 220 HA -0.14 0.43 0.69 -0.75 4.34 4.57 1fp2A1 ARG 220 HB2 -0.03 -0.07 0.14 -0.04 1.90 1.91 1fp2A1 ARG 220 HB3 -0.01 0.03 0.14 -0.04 1.80 1.92 1fp2A1 ARG 220 HG2 -0.04 0.10 0.15 -0.04 1.67 1.84 1fp2A1 ARG 220 HG3 -0.12 -0.07 0.17 -0.04 1.67 1.60 1fp2A1 ARG 220 HD2 0.09 0.03 0.04 -0.04 3.22 3.33 1fp2A1 ARG 220 HD3 -0.04 -0.01 0.06 -0.04 3.22 3.19 1fp2A1 PRO 221 HA -0.03 0.07 0.40 -0.51 4.44 4.36 1fp2A1 PRO 221 HB2 -0.00 0.02 0.08 -0.04 2.28 2.33 1fp2A1 PRO 221 HB3 -0.01 0.08 0.07 -0.04 2.02 2.12 1fp2A1 PRO 221 HG2 -0.00 0.07 0.02 -0.04 2.03 2.08 1fp2A1 PRO 221 HG3 -0.02 0.06 -0.09 -0.04 2.03 1.93 1fp2A1 PRO 221 HD2 -0.02 0.07 0.23 -0.04 3.68 3.92 1fp2A1 PRO 221 HD3 -0.08 0.37 0.34 -0.04 3.65 4.24 1fp2A1 GLN 222 H -0.00 0.08 -0.18 -0.55 8.47 7.83 1fp2A1 GLN 222 HA -0.01 0.13 0.41 -0.75 4.36 4.14 1fp2A1 GLN 222 HB2 0.01 -0.01 0.07 -0.04 2.15 2.18 1fp2A1 GLN 222 HB3 0.01 -0.05 -0.01 -0.04 2.02 1.93 1fp2A1 GLN 222 HG2 0.00 0.02 -0.11 -0.04 2.40 2.28 1fp2A1 GLN 222 HG3 -0.01 0.03 0.13 -0.04 2.39 2.50 1fp2A1 GLN 222 HE21 -0.02 0.35 0.13 -0.04 6.97 7.39 1fp2A1 GLN 222 HE22 -0.01 -0.04 0.03 -0.04 7.69 7.63 1fp2A1 VAL 223 H -0.01 0.14 -0.37 -0.55 8.24 7.45 1fp2A1 VAL 223 HA 0.02 0.12 0.48 -0.75 4.13 4.00 1fp2A1 VAL 223 HB -0.01 0.04 0.07 -0.04 2.12 2.18 1fp2A1 VAL 223 HG13 0.05 0.01 -0.22 -0.04 0.97 0.76 1fp2A1 VAL 223 HG23 0.05 -0.03 -0.01 -0.04 0.95 0.91 1fp2A1 VAL 224 H -0.02 0.27 -0.17 -0.55 8.24 7.76 1fp2A1 VAL 224 HA -0.09 0.28 0.68 -0.75 4.13 4.25 1fp2A1 VAL 224 HB 0.04 -0.02 -0.02 -0.04 2.12 2.07 1fp2A1 VAL 224 HG13 0.11 0.00 -0.21 -0.04 0.97 0.82 1fp2A1 VAL 224 HG23 0.01 0.02 -0.34 -0.04 0.95 0.60 1fp2A1 GLU 225 H -0.03 0.21 -0.38 -0.55 8.60 7.85 1fp2A1 GLU 225 HA -0.04 -0.04 0.39 -0.75 4.29 3.85 1fp2A1 GLU 225 HB2 -0.02 -0.07 0.06 -0.04 2.09 2.02 1fp2A1 GLU 225 HB3 -0.02 0.09 0.10 -0.04 1.99 2.12 1fp2A1 GLU 225 HG2 -0.02 0.22 0.05 -0.04 2.34 2.55 1fp2A1 GLU 225 HG3 -0.03 0.00 -0.13 -0.04 2.34 2.15 1fp2A1 ASN 226 H -0.04 0.09 0.18 -0.55 8.53 8.21 1fp2A1 ASN 226 HA -0.04 -0.02 0.33 -0.75 4.76 4.27 1fp2A1 ASN 226 HB2 -0.05 0.26 0.01 -0.04 2.88 3.06 1fp2A1 ASN 226 HB3 -0.04 -0.05 0.15 -0.04 2.79 2.81 1fp2A1 ASN 226 HD21 -0.02 -0.05 -0.12 -0.04 7.03 6.80 1fp2A1 ASN 226 HD22 -0.03 0.15 -0.23 -0.04 7.74 7.59 1fp2A1 LEU 227 H -0.18 0.41 -0.45 -0.55 8.37 7.60 1fp2A1 LEU 227 HA -0.21 0.11 0.79 -0.75 4.35 4.28 1fp2A1 LEU 227 HB2 -0.83 0.04 0.03 -0.04 1.64 0.84 1fp2A1 LEU 227 HB3 -1.06 -0.01 -0.06 -0.04 1.64 0.47 1fp2A1 LEU 227 HG -0.22 0.13 -0.20 -0.04 1.64 1.31 1fp2A1 LEU 227 HD13 -0.27 -0.01 -0.01 -0.04 0.93 0.59 1fp2A1 LEU 227 HD23 -0.14 -0.00 -0.03 -0.04 0.89 0.68 1fp2A1 SER 228 H -0.10 0.20 0.14 -0.55 8.46 8.15 1fp2A1 SER 228 HA 0.04 0.12 0.99 -0.75 4.49 4.88 1fp2A1 SER 228 HB2 0.01 -0.02 0.11 -0.04 3.95 4.01 1fp2A1 SER 228 HB3 0.04 0.10 0.01 -0.04 3.93 4.03 1fp2A1 GLY 229 H 0.18 0.05 0.09 -0.55 8.43 8.20 1fp2A1 GLY 229 HA2 0.27 0.16 0.61 -0.51 4.01 4.54 1fp2A1 GLY 229 HA3 0.15 0.16 0.31 -0.51 4.01 4.12 1fp2A1 SER 230 H 0.03 0.47 0.21 -0.55 8.46 8.62 1fp2A1 SER 230 HA 0.03 -0.06 0.38 -0.75 4.49 4.09 1fp2A1 SER 230 HB2 0.02 -0.04 0.04 -0.04 3.95 3.93 1fp2A1 SER 230 HB3 0.04 0.21 0.21 -0.04 3.93 4.34 1fp2A1 ASN 231 H 0.02 0.10 0.11 -0.55 8.53 8.21 1fp2A1 ASN 231 HA 0.01 -0.06 0.43 -0.75 4.76 4.38 1fp2A1 ASN 231 HB2 0.01 -0.04 0.11 -0.04 2.88 2.91 1fp2A1 ASN 231 HB3 0.01 0.05 -0.04 -0.04 2.79 2.77 1fp2A1 ASN 231 HD21 0.00 0.09 0.00 -0.04 7.03 7.09 1fp2A1 ASN 231 HD22 0.00 -0.02 0.01 -0.04 7.74 7.69 1fp2A1 ASN 232 H 0.00 0.02 0.01 -0.55 8.53 8.02 1fp2A1 ASN 232 HA -0.00 -0.07 0.33 -0.75 4.76 4.26 1fp2A1 ASN 232 HB2 0.00 0.33 0.02 -0.04 2.88 3.19 1fp2A1 ASN 232 HB3 0.00 0.15 0.08 -0.04 2.79 2.98 1fp2A1 ASN 232 HD21 0.01 -0.12 -0.01 -0.04 7.03 6.86 1fp2A1 ASN 232 HD22 0.01 0.38 -0.08 -0.04 7.74 8.02 1fp2A1 LEU 233 H -0.01 0.54 -0.61 -0.55 8.37 7.75 1fp2A1 LEU 233 HA -0.07 0.31 1.00 -0.75 4.35 4.84 1fp2A1 LEU 233 HB2 -0.04 0.11 0.06 -0.04 1.64 1.73 1fp2A1 LEU 233 HB3 -0.03 -0.12 0.17 -0.04 1.64 1.61 1fp2A1 LEU 233 HG -0.16 0.01 -0.03 -0.04 1.64 1.43 1fp2A1 LEU 233 HD13 -0.05 0.00 -0.18 -0.04 0.93 0.66 1fp2A1 LEU 233 HD23 -0.38 -0.01 -0.33 -0.04 0.89 0.13 1fp2A1 THR 234 H -0.11 0.60 0.38 -0.55 8.28 8.59 1fp2A1 THR 234 HA -0.00 0.11 0.84 -0.75 4.39 4.59 1fp2A1 THR 234 HB 0.03 0.03 0.07 -0.04 4.32 4.41 1fp2A1 THR 234 HG23 0.01 -0.01 -0.24 -0.04 1.22 0.95 1fp2A1 TYR 235 H 0.18 0.22 0.16 -0.55 8.29 8.30 1fp2A1 TYR 235 HA 0.05 0.21 0.99 -0.75 4.56 5.06 1fp2A1 TYR 235 HB2 0.02 0.03 0.05 -0.04 3.06 3.12 1fp2A1 TYR 235 HB3 0.02 0.01 -0.06 -0.04 2.98 2.91 1fp2A1 TYR 235 HD2 0.02 -0.04 -0.23 -0.04 7.15 6.86 1fp2A1 TYR 235 HE2 0.02 0.05 -0.59 -0.04 6.85 6.29 1fp2A1 VAL 236 H 0.16 0.73 0.28 -0.55 8.24 8.86 1fp2A1 VAL 236 HA 0.12 0.14 0.87 -0.75 4.13 4.50 1fp2A1 VAL 236 HB 0.31 -0.04 0.01 -0.04 2.12 2.36 1fp2A1 VAL 236 HG13 0.24 -0.01 -0.20 -0.04 0.97 0.97 1fp2A1 VAL 236 HG23 0.10 -0.00 -0.21 -0.04 0.95 0.79 1fp2A1 GLY 237 H 0.05 0.17 0.11 -0.55 8.43 8.22 1fp2A1 GLY 237 HA2 -0.13 0.26 0.76 -0.51 4.01 4.39 1fp2A1 GLY 237 HA3 -0.03 -0.04 0.29 -0.51 4.01 3.72 1fp2A1 GLY 238 H -0.38 0.62 0.32 -0.55 8.43 8.46 1fp2A1 GLY 238 HA2 0.02 0.09 0.46 -0.51 4.01 4.07 1fp2A1 GLY 238 HA3 0.12 0.10 0.32 -0.51 4.01 4.03 1fp2A1 ASP 239 H 0.23 0.37 0.13 -0.55 8.40 8.58 1fp2A1 ASP 239 HA 0.05 0.09 0.80 -0.75 4.63 4.83 1fp2A1 ASP 239 HB2 0.08 0.09 -0.06 -0.04 2.71 2.78 1fp2A1 ASP 239 HB3 0.12 0.05 0.14 -0.04 2.70 2.97 1fp2A1 MET 240 H 0.10 0.17 0.05 -0.55 8.47 8.24 1fp2A1 MET 240 HA 0.17 0.18 0.18 -0.75 4.52 4.30 1fp2A1 MET 240 HB2 -0.13 0.10 0.01 -0.04 2.15 2.09 1fp2A1 MET 240 HB3 0.18 -0.03 0.01 -0.04 2.03 2.15 1fp2A1 MET 240 HG2 -0.19 -0.11 0.03 -0.04 2.63 2.32 1fp2A1 MET 240 HG3 -0.90 0.07 -0.24 -0.04 2.56 1.45 1fp2A1 MET 240 HE3 -0.35 0.00 -0.06 -0.04 2.10 1.65 1fp2A1 PHE 241 H 0.20 -0.03 -0.43 -0.55 8.34 7.53 1fp2A1 PHE 241 HA -0.07 0.20 0.45 -0.75 4.62 4.45 1fp2A1 PHE 241 HB2 -0.03 -0.06 -0.04 -0.04 3.15 2.98 1fp2A1 PHE 241 HB3 -0.04 0.07 0.03 -0.04 3.06 3.07 1fp2A1 PHE 241 HD2 -0.12 -0.02 -0.02 -0.04 7.28 7.08 1fp2A1 PHE 241 HE2 -0.54 0.01 0.01 -0.04 7.38 6.82 1fp2A1 PHE 241 HZ -1.93 0.00 -0.05 -0.04 7.32 5.29 1fp2A1 THR 242 H 0.12 0.26 -0.35 -0.55 8.28 7.76 1fp2A1 THR 242 HA 0.07 0.20 0.83 -0.75 4.39 4.73 1fp2A1 THR 242 HB 0.10 0.00 0.13 -0.04 4.32 4.51 1fp2A1 THR 242 HG23 0.05 0.01 -0.07 -0.04 1.22 1.17 1fp2A1 SER 243 H 0.09 0.43 0.09 -0.55 8.46 8.52 1fp2A1 SER 243 HA -0.03 0.11 0.52 -0.75 4.49 4.34 1fp2A1 SER 243 HB2 0.02 0.15 -0.17 -0.04 3.95 3.90 1fp2A1 SER 243 HB3 0.05 -0.11 -0.08 -0.04 3.93 3.75 1fp2A1 ILE 244 H -0.13 0.28 0.06 -0.55 8.25 7.91 1fp2A1 ILE 244 HA -0.83 0.10 0.79 -0.75 4.18 3.49 1fp2A1 ILE 244 HB -0.21 0.12 -0.01 -0.04 1.89 1.75 1fp2A1 ILE 244 HG12 -0.34 -0.11 -0.11 -0.04 1.49 0.89 1fp2A1 ILE 244 HG13 -0.17 -0.03 -0.27 -0.04 1.21 0.70 1fp2A1 ILE 244 HG23 -0.39 0.05 -0.17 -0.04 0.93 0.38 1fp2A1 ILE 244 HD13 -0.14 -0.01 -0.21 -0.04 0.88 0.48 1fp2A1 PRO 245 HA -0.11 -0.01 0.38 -0.51 4.44 4.18 1fp2A1 PRO 245 HB2 -0.12 0.05 -0.09 -0.04 2.28 2.08 1fp2A1 PRO 245 HB3 -0.06 0.03 0.01 -0.04 2.02 1.96 1fp2A1 PRO 245 HG2 -0.05 -0.01 -0.05 -0.04 2.03 1.88 1fp2A1 PRO 245 HG3 -0.06 0.04 -0.04 -0.04 2.03 1.93 1fp2A1 PRO 245 HD2 -0.87 0.05 0.07 -0.04 3.68 2.89 1fp2A1 PRO 245 HD3 -1.04 0.13 0.08 -0.04 3.65 2.79 1fp2A1 ASN 246 H -0.07 0.01 0.15 -0.55 8.53 8.08 1fp2A1 ASN 246 HA -0.07 0.27 0.61 -0.75 4.76 4.82 1fp2A1 ASN 246 HB2 -0.04 -0.10 0.06 -0.04 2.88 2.77 1fp2A1 ASN 246 HB3 -0.04 0.08 0.03 -0.04 2.79 2.82 1fp2A1 ASN 246 HD21 -0.03 -0.04 0.02 -0.04 7.03 6.94 1fp2A1 ASN 246 HD22 -0.03 -0.02 0.01 -0.04 7.74 7.66 1fp2A1 ALA 247 H -0.06 0.64 0.26 -0.55 8.40 8.70 1fp2A1 ALA 247 HA -0.04 0.03 0.25 -0.75 4.34 3.83 1fp2A1 ALA 247 HB3 -0.05 0.02 -0.19 -0.04 1.41 1.15 1fp2A1 ASP 248 H -0.03 0.14 0.10 -0.55 8.40 8.06 1fp2A1 ASP 248 HA -0.03 0.11 0.49 -0.75 4.63 4.44 1fp2A1 ASP 248 HB2 -0.04 0.20 0.31 -0.04 2.71 3.14 1fp2A1 ASP 248 HB3 -0.03 0.05 0.18 -0.04 2.70 2.86 1fp2A1 ALA 249 H -0.05 0.14 -0.04 -0.55 8.40 7.90 1fp2A1 ALA 249 HA -0.08 0.30 0.83 -0.75 4.34 4.64 1fp2A1 ALA 249 HB3 -0.12 0.00 -0.03 -0.04 1.41 1.23 1fp2A1 VAL 250 H -0.10 0.51 0.43 -0.55 8.24 8.52 1fp2A1 VAL 250 HA -0.07 0.23 1.04 -0.75 4.13 4.58 1fp2A1 VAL 250 HB -0.08 -0.02 0.17 -0.04 2.12 2.14 1fp2A1 VAL 250 HG13 -0.07 -0.04 -0.15 -0.04 0.97 0.67 1fp2A1 VAL 250 HG23 -0.08 0.01 -0.09 -0.04 0.95 0.75 1fp2A1 LEU 251 H -0.04 0.64 0.41 -0.55 8.37 8.84 1fp2A1 LEU 251 HA -0.09 0.32 1.01 -0.75 4.35 4.83 1fp2A1 LEU 251 HB2 -0.03 0.07 -0.04 -0.04 1.64 1.59 1fp2A1 LEU 251 HB3 0.00 -0.11 0.12 -0.04 1.64 1.60 1fp2A1 LEU 251 HG -0.01 -0.11 -0.29 -0.04 1.64 1.20 1fp2A1 LEU 251 HD13 -0.07 0.06 -0.11 -0.04 0.93 0.77 1fp2A1 LEU 251 HD23 0.04 -0.01 -0.12 -0.04 0.89 0.76 1fp2A1 LEU 252 H -0.06 0.70 0.28 -0.55 8.37 8.74 1fp2A1 LEU 252 HA 0.04 0.30 0.88 -0.75 4.35 4.81 1fp2A1 LEU 252 HB2 -0.03 0.00 0.23 -0.04 1.64 1.80 1fp2A1 LEU 252 HB3 0.07 -0.19 0.10 -0.04 1.64 1.58 1fp2A1 LEU 252 HG -0.04 0.03 -0.40 -0.04 1.64 1.19 1fp2A1 LEU 252 HD13 -0.04 -0.00 -0.12 -0.04 0.93 0.73 1fp2A1 LEU 252 HD23 0.01 0.04 -0.01 -0.04 0.89 0.89 1fp2A1 LYS 253 H 0.07 0.31 -0.01 -0.55 8.42 8.23 1fp2A1 LYS 253 HA -0.04 0.12 0.99 -0.75 4.32 4.64 1fp2A1 LYS 253 HB2 -0.01 0.02 -0.02 -0.04 1.87 1.82 1fp2A1 LYS 253 HB3 0.06 0.02 0.07 -0.04 1.79 1.91 1fp2A1 LYS 253 HG2 0.06 0.03 -0.26 -0.04 1.46 1.25 1fp2A1 LYS 253 HG3 -0.21 -0.01 -0.03 -0.04 1.46 1.17 1fp2A1 LYS 253 HD2 -0.01 0.03 -0.09 -0.04 1.69 1.57 1fp2A1 LYS 253 HD3 0.06 -0.04 -0.07 -0.04 1.68 1.59 1fp2A1 LYS 253 HE2 -0.10 -0.00 -0.10 -0.04 2.99 2.75 1fp2A1 LYS 253 HE3 0.02 -0.01 -0.09 -0.04 2.99 2.87 1fp2A1 TYR 254 H -0.02 0.69 0.32 -0.55 8.29 8.73 1fp2A1 TYR 254 HA -0.11 -0.04 0.37 -0.75 4.56 4.02 1fp2A1 TYR 254 HB2 0.13 0.19 -0.27 -0.04 3.06 3.07 1fp2A1 TYR 254 HB3 0.26 -0.00 0.25 -0.04 2.98 3.44 1fp2A1 TYR 254 HD2 -0.16 -0.00 -0.03 -0.04 7.15 6.91 1fp2A1 TYR 254 HE2 0.01 -0.01 -0.05 -0.04 6.85 6.76 1fp2A1 ILE 255 H 0.27 0.04 -0.35 -0.55 8.25 7.65 1fp2A1 ILE 255 HA 0.42 0.26 0.86 -0.75 4.18 4.96 1fp2A1 ILE 255 HB 0.20 -0.10 0.03 -0.04 1.89 1.99 1fp2A1 ILE 255 HG12 0.17 -0.11 -0.30 -0.04 1.49 1.20 1fp2A1 ILE 255 HG13 0.12 0.22 0.08 -0.04 1.21 1.58 1fp2A1 ILE 255 HG23 0.23 0.00 -0.15 -0.04 0.93 0.97 1fp2A1 ILE 255 HD13 0.18 0.04 0.01 -0.04 0.88 1.07 1fp2A1 LEU 256 H 0.35 0.12 0.05 -0.55 8.37 8.34 1fp2A1 LEU 256 HA 0.51 0.11 0.25 -0.75 4.35 4.46 1fp2A1 LEU 256 HB2 0.61 -0.02 0.05 -0.04 1.64 2.24 1fp2A1 LEU 256 HB3 0.42 0.06 0.03 -0.04 1.64 2.11 1fp2A1 LEU 256 HG 0.22 -0.07 0.03 -0.04 1.64 1.79 1fp2A1 LEU 256 HD13 0.32 0.02 -0.06 -0.04 0.93 1.17 1fp2A1 LEU 256 HD23 0.13 0.01 -0.07 -0.04 0.89 0.93 1fp2A1 HIS 257 H 0.58 0.01 -0.35 -0.55 8.41 8.10 1fp2A1 HIS 257 HA 0.09 0.23 0.46 -0.75 4.63 4.67 1fp2A1 HIS 257 HB2 0.11 0.15 0.17 -0.04 3.26 3.65 1fp2A1 HIS 257 HB3 0.26 -0.12 0.13 -0.04 3.20 3.43 1fp2A1 HIS 257 HD2 0.28 -0.05 -0.48 -0.04 6.97 6.67 1fp2A1 HIS 257 HE1 -0.00 0.01 -0.06 -0.04 7.75 7.65 1fp2A1 ASN 258 H 0.32 0.51 -0.52 -0.55 8.53 8.28 1fp2A1 ASN 258 HA -0.33 0.06 0.67 -0.75 4.76 4.41 1fp2A1 ASN 258 HB2 -0.23 0.12 0.05 -0.04 2.88 2.79 1fp2A1 ASN 258 HB3 -0.35 -0.10 0.19 -0.04 2.79 2.49 1fp2A1 ASN 258 HD21 0.44 0.10 0.13 -0.04 7.03 7.66 1fp2A1 ASN 258 HD22 0.40 -0.03 0.16 -0.04 7.74 8.22 1fp2A1 TRP 259 H 0.21 0.43 -0.25 -0.55 7.97 7.81 1fp2A1 TRP 259 HA 0.12 0.22 0.85 -0.75 4.62 5.06 1fp2A1 TRP 259 HB2 0.15 0.03 -0.07 -0.04 3.23 3.30 1fp2A1 TRP 259 HB3 0.19 -0.12 -0.03 -0.04 3.23 3.22 1fp2A1 TRP 259 HD1 0.19 0.09 -0.22 -0.04 7.22 7.23 1fp2A1 TRP 259 HE1 0.16 -0.03 -0.08 -0.04 10.20 10.21 1fp2A1 TRP 259 HE3 0.24 -0.03 0.05 -0.04 7.59 7.81 1fp2A1 TRP 259 HZ2 0.15 -0.06 -0.00 -0.04 7.44 7.49 1fp2A1 TRP 259 HZ3 0.13 -0.03 0.03 -0.04 7.13 7.23 1fp2A1 TRP 259 HH2 0.40 -0.09 0.02 -0.04 7.19 7.48 1fp2A1 THR 260 H 0.30 0.09 0.15 -0.55 8.28 8.27 1fp2A1 THR 260 HA 0.09 0.28 0.56 -0.75 4.39 4.56 1fp2A1 THR 260 HB 0.08 -0.08 0.19 -0.04 4.32 4.47 1fp2A1 THR 260 HG23 0.10 0.08 0.15 -0.04 1.22 1.50 1fp2A1 ASP 261 H 0.04 0.21 0.16 -0.55 8.40 8.26 1fp2A1 ASP 261 HA 0.02 0.11 0.37 -0.75 4.63 4.38 1fp2A1 ASP 261 HB2 0.01 -0.03 0.12 -0.04 2.71 2.78 1fp2A1 ASP 261 HB3 0.00 0.05 -0.01 -0.04 2.70 2.71 1fp2A1 LYS 262 H 0.07 0.10 -0.15 -0.55 8.42 7.89 1fp2A1 LYS 262 HA 0.06 0.12 0.35 -0.75 4.32 4.10 1fp2A1 LYS 262 HB2 0.05 0.04 0.08 -0.04 1.87 2.01 1fp2A1 LYS 262 HB3 0.08 -0.04 0.07 -0.04 1.79 1.86 1fp2A1 LYS 262 HG2 0.08 -0.00 -0.25 -0.04 1.46 1.24 1fp2A1 LYS 262 HG3 0.06 0.03 0.01 -0.04 1.46 1.51 1fp2A1 LYS 262 HD2 0.04 0.01 0.00 -0.04 1.69 1.70 1fp2A1 LYS 262 HD3 0.05 0.01 -0.02 -0.04 1.68 1.68 1fp2A1 LYS 262 HE2 0.04 -0.00 -0.03 -0.04 2.99 2.95 1fp2A1 LYS 262 HE3 0.04 0.01 -0.02 -0.04 2.99 2.98 1fp2A1 ASP 263 H 0.19 0.06 -0.26 -0.55 8.40 7.85 1fp2A1 ASP 263 HA 0.22 0.08 0.51 -0.75 4.63 4.69 1fp2A1 ASP 263 HB2 0.46 -0.02 0.10 -0.04 2.71 3.22 1fp2A1 ASP 263 HB3 0.37 0.01 -0.02 -0.04 2.70 3.01 1fp2A1 CYS 264 H 0.17 0.68 -0.23 -0.55 8.50 8.57 1fp2A1 CYS 264 HA 0.04 -0.04 0.36 -0.75 4.58 4.19 1fp2A1 CYS 264 HB2 0.10 0.10 0.10 -0.04 2.97 3.23 1fp2A1 CYS 264 HB3 0.13 -0.06 -0.07 -0.04 2.97 2.93 1fp2A1 LEU 265 H 0.08 0.54 -0.23 -0.55 8.37 8.22 1fp2A1 LEU 265 HA 0.09 0.03 0.38 -0.75 4.35 4.10 1fp2A1 LEU 265 HB2 0.07 0.12 0.12 -0.04 1.64 1.90 1fp2A1 LEU 265 HB3 0.07 0.02 -0.04 -0.04 1.64 1.65 1fp2A1 LEU 265 HG 0.06 0.10 0.03 -0.04 1.64 1.79 1fp2A1 LEU 265 HD13 0.05 -0.02 -0.06 -0.04 0.93 0.86 1fp2A1 LEU 265 HD23 0.09 -0.01 -0.08 -0.04 0.89 0.85 1fp2A1 ARG 266 H 0.08 0.35 -0.23 -0.55 8.46 8.11 1fp2A1 ARG 266 HA 0.05 0.07 0.46 -0.75 4.34 4.16 1fp2A1 ARG 266 HB2 0.22 0.09 0.17 -0.04 1.90 2.34 1fp2A1 ARG 266 HB3 0.21 -0.01 0.03 -0.04 1.80 2.00 1fp2A1 ARG 266 HG2 0.10 -0.00 0.04 -0.04 1.67 1.76 1fp2A1 ARG 266 HG3 0.11 0.22 0.11 -0.04 1.67 2.07 1fp2A1 ARG 266 HD2 0.16 -0.08 -0.00 -0.04 3.22 3.25 1fp2A1 ARG 266 HD3 0.16 -0.01 0.01 -0.04 3.22 3.34 1fp2A1 ILE 267 H -0.17 0.49 -0.12 -0.55 8.25 7.91 1fp2A1 ILE 267 HA -0.39 0.07 0.34 -0.75 4.18 3.45 1fp2A1 ILE 267 HB -0.20 0.09 0.10 -0.04 1.89 1.83 1fp2A1 ILE 267 HG12 -1.17 -0.10 -0.11 -0.04 1.49 0.07 1fp2A1 ILE 267 HG13 -0.92 0.13 0.00 -0.04 1.21 0.39 1fp2A1 ILE 267 HG23 -0.20 -0.03 -0.20 -0.04 0.93 0.46 1fp2A1 ILE 267 HD13 -0.92 -0.03 -0.16 -0.04 0.88 -0.27 1fp2A1 LEU 268 H -0.00 0.76 -0.08 -0.55 8.37 8.50 1fp2A1 LEU 268 HA 0.04 -0.06 0.35 -0.75 4.35 3.93 1fp2A1 LEU 268 HB2 0.14 0.11 0.08 -0.04 1.64 1.93 1fp2A1 LEU 268 HB3 0.26 0.02 -0.05 -0.04 1.64 1.82 1fp2A1 LEU 268 HG 0.08 0.02 -0.01 -0.04 1.64 1.69 1fp2A1 LEU 268 HD13 0.23 -0.02 -0.20 -0.04 0.93 0.90 1fp2A1 LEU 268 HD23 -0.11 -0.02 -0.09 -0.04 0.89 0.63 1fp2A1 LYS 269 H 0.05 0.56 -0.25 -0.55 8.42 8.22 1fp2A1 LYS 269 HA 0.05 0.11 0.53 -0.75 4.32 4.27 1fp2A1 LYS 269 HB2 0.04 0.04 0.13 -0.04 1.87 2.04 1fp2A1 LYS 269 HB3 0.02 0.10 0.16 -0.04 1.79 2.03 1fp2A1 LYS 269 HG2 -0.00 -0.04 -0.25 -0.04 1.46 1.13 1fp2A1 LYS 269 HG3 0.00 0.01 0.03 -0.04 1.46 1.46 1fp2A1 LYS 269 HD2 0.02 0.01 -0.00 -0.04 1.69 1.68 1fp2A1 LYS 269 HD3 0.02 -0.01 -0.01 -0.04 1.68 1.64 1fp2A1 LYS 269 HE2 0.00 -0.02 -0.03 -0.04 2.99 2.90 1fp2A1 LYS 269 HE3 0.00 0.02 -0.02 -0.04 2.99 2.95 1fp2A1 LYS 270 H -0.04 0.49 -0.12 -0.55 8.42 8.19 1fp2A1 LYS 270 HA -0.04 0.02 0.47 -0.75 4.32 4.02 1fp2A1 LYS 270 HB2 -0.12 0.13 0.14 -0.04 1.87 1.98 1fp2A1 LYS 270 HB3 -0.09 -0.18 -0.05 -0.04 1.79 1.43 1fp2A1 LYS 270 HG2 -0.03 0.08 0.01 -0.04 1.46 1.47 1fp2A1 LYS 270 HG3 -0.05 -0.01 -0.23 -0.04 1.46 1.13 1fp2A1 LYS 270 HD2 -0.02 -0.11 -0.36 -0.04 1.69 1.15 1fp2A1 LYS 270 HD3 -0.02 -0.05 -0.09 -0.04 1.68 1.48 1fp2A1 LYS 270 HE2 0.02 -0.05 -0.05 -0.04 2.99 2.87 1fp2A1 LYS 270 HE3 0.03 0.14 -0.19 -0.04 2.99 2.92 1fp2A1 CYS 271 H -0.02 0.50 -0.22 -0.55 8.50 8.21 1fp2A1 CYS 271 HA -0.06 0.01 0.41 -0.75 4.58 4.19 1fp2A1 CYS 271 HB2 0.05 0.12 0.06 -0.04 2.97 3.16 1fp2A1 CYS 271 HB3 -0.01 -0.05 -0.08 -0.04 2.97 2.79 1fp2A1 LYS 272 H 0.11 0.63 -0.15 -0.55 8.42 8.45 1fp2A1 LYS 272 HA 0.02 -0.01 0.30 -0.75 4.32 3.87 1fp2A1 LYS 272 HB2 -0.22 0.03 0.05 -0.04 1.87 1.69 1fp2A1 LYS 272 HB3 -0.09 0.11 0.13 -0.04 1.79 1.91 1fp2A1 LYS 272 HG2 -0.18 -0.04 -0.21 -0.04 1.46 0.98 1fp2A1 LYS 272 HG3 -0.36 -0.08 -0.02 -0.04 1.46 0.96 1fp2A1 LYS 272 HD2 -0.39 0.05 -0.01 -0.04 1.69 1.29 1fp2A1 LYS 272 HD3 -0.94 -0.00 -0.14 -0.04 1.68 0.55 1fp2A1 LYS 272 HE2 -0.15 -0.02 0.04 -0.04 2.99 2.82 1fp2A1 LYS 272 HE3 -0.15 -0.11 -0.01 -0.04 2.99 2.68 1fp2A1 GLU 273 H -0.03 0.53 -0.24 -0.55 8.60 8.32 1fp2A1 GLU 273 HA -0.05 0.02 0.32 -0.75 4.29 3.83 1fp2A1 GLU 273 HB2 -0.04 0.14 0.16 -0.04 2.09 2.31 1fp2A1 GLU 273 HB3 -0.04 -0.07 -0.05 -0.04 1.99 1.78 1fp2A1 GLU 273 HG2 -0.03 -0.06 0.02 -0.04 2.34 2.22 1fp2A1 GLU 273 HG3 -0.03 0.14 0.04 -0.04 2.34 2.45 1fp2A1 ALA 274 H -0.06 0.47 -0.25 -0.55 8.40 8.01 1fp2A1 ALA 274 HA -0.07 -0.06 0.28 -0.75 4.34 3.73 1fp2A1 ALA 274 HB3 -0.10 0.05 -0.03 -0.04 1.41 1.29 1fp2A1 VAL 275 H -0.04 0.41 -0.46 -0.55 8.24 7.60 1fp2A1 VAL 275 HA -0.04 0.31 1.01 -0.75 4.13 4.66 1fp2A1 VAL 275 HB -0.03 -0.12 0.11 -0.04 2.12 2.04 1fp2A1 VAL 275 HG13 -0.05 0.06 -0.25 -0.04 0.97 0.69 1fp2A1 VAL 275 HG23 0.00 0.02 -0.20 -0.04 0.95 0.73 1fp2A1 THR 276 H -0.04 0.44 -0.21 -0.55 8.28 7.92 1fp2A1 THR 276 HA -0.03 0.41 0.91 -0.75 4.39 4.92 1fp2A1 THR 276 HB -0.05 -0.08 0.20 -0.04 4.32 4.35 1fp2A1 THR 276 HG23 -0.07 -0.01 -0.08 -0.04 1.22 1.02 1fp2A1 ASN 277 H -0.03 0.15 -0.12 -0.55 8.53 7.98 1fp2A1 ASN 277 HA -0.03 0.04 0.49 -0.75 4.76 4.50 1fp2A1 ASN 277 HB2 -0.03 0.08 0.09 -0.04 2.88 2.98 1fp2A1 ASN 277 HB3 -0.03 0.04 0.02 -0.04 2.79 2.77 1fp2A1 ASN 277 HD21 -0.02 -0.03 0.04 -0.04 7.03 6.98 1fp2A1 ASN 277 HD22 -0.02 0.05 0.06 -0.04 7.74 7.79 1fp2A1 ASP 278 H -0.02 0.09 0.15 -0.55 8.40 8.08 1fp2A1 ASP 278 HA -0.01 -0.01 0.36 -0.75 4.63 4.22 1fp2A1 ASP 278 HB2 -0.01 -0.05 -0.00 -0.04 2.71 2.61 1fp2A1 ASP 278 HB3 -0.01 0.13 -0.02 -0.04 2.70 2.75 1fp2A1 GLY 279 H -0.02 0.10 -0.19 -0.55 8.43 7.78 1fp2A1 GLY 279 HA2 -0.01 0.00 0.30 -0.51 4.01 3.78 1fp2A1 GLY 279 HA3 -0.01 -0.03 0.30 -0.51 4.01 3.76 1fp2A1 LYS 280 H -0.02 0.43 -0.78 -0.55 8.42 7.50 1fp2A1 LYS 280 HA -0.01 0.01 0.50 -0.75 4.32 4.06 1fp2A1 LYS 280 HB2 -0.02 0.07 -0.11 -0.04 1.87 1.77 1fp2A1 LYS 280 HB3 -0.01 -0.07 0.01 -0.04 1.79 1.68 1fp2A1 LYS 280 HG2 -0.01 -0.08 0.00 -0.04 1.46 1.34 1fp2A1 LYS 280 HG3 -0.01 0.18 0.00 -0.04 1.46 1.58 1fp2A1 LYS 280 HD2 -0.02 0.05 -0.11 -0.04 1.69 1.57 1fp2A1 LYS 280 HD3 -0.02 -0.05 -0.07 -0.04 1.68 1.50 1fp2A1 LYS 280 HE2 -0.01 0.03 -0.03 -0.04 2.99 2.93 1fp2A1 LYS 280 HE3 -0.02 -0.07 -0.08 -0.04 2.99 2.78 1fp2A1 ARG 281 H -0.00 0.10 0.08 -0.55 8.46 8.09 1fp2A1 ARG 281 HA -0.01 0.17 0.89 -0.75 4.34 4.63 1fp2A1 ARG 281 HB2 0.01 -0.06 0.26 -0.04 1.90 2.07 1fp2A1 ARG 281 HB3 0.02 -0.04 0.14 -0.04 1.80 1.88 1fp2A1 ARG 281 HG2 -0.00 0.04 -0.25 -0.04 1.67 1.42 1fp2A1 ARG 281 HG3 0.00 -0.09 -0.01 -0.04 1.67 1.54 1fp2A1 ARG 281 HD2 -0.02 0.44 -0.15 -0.04 3.22 3.46 1fp2A1 ARG 281 HD3 -0.01 -0.06 -0.10 -0.04 3.22 3.01 1fp2A1 GLY 282 H -0.01 0.72 0.16 -0.55 8.43 8.75 1fp2A1 GLY 282 HA2 0.00 0.05 0.73 -0.51 4.01 4.28 1fp2A1 GLY 282 HA3 -0.02 0.15 0.56 -0.51 4.01 4.20 1fp2A1 LYS 283 H -0.05 0.40 0.43 -0.55 8.42 8.65 1fp2A1 LYS 283 HA -0.05 0.18 0.92 -0.75 4.32 4.61 1fp2A1 LYS 283 HB2 -0.38 0.00 0.13 -0.04 1.87 1.59 1fp2A1 LYS 283 HB3 0.00 0.06 -0.20 -0.04 1.79 1.62 1fp2A1 LYS 283 HG2 -0.06 0.05 0.02 -0.04 1.46 1.43 1fp2A1 LYS 283 HG3 -0.15 -0.10 -0.20 -0.04 1.46 0.97 1fp2A1 LYS 283 HD2 -0.20 -0.08 -0.11 -0.04 1.69 1.26 1fp2A1 LYS 283 HD3 0.03 0.01 -0.06 -0.04 1.68 1.62 1fp2A1 LYS 283 HE2 -0.13 0.03 -0.02 -0.04 2.99 2.84 1fp2A1 LYS 283 HE3 -0.22 -0.13 -0.07 -0.04 2.99 2.54 1fp2A1 VAL 284 H -0.29 0.57 0.38 -0.55 8.24 8.35 1fp2A1 VAL 284 HA -0.16 0.15 1.04 -0.75 4.13 4.41 1fp2A1 VAL 284 HB -0.40 -0.04 0.10 -0.04 2.12 1.74 1fp2A1 VAL 284 HG13 -0.21 -0.02 -0.16 -0.04 0.97 0.54 1fp2A1 VAL 284 HG23 0.01 0.01 -0.24 -0.04 0.95 0.69 1fp2A1 THR 285 H -0.19 0.79 0.42 -0.55 8.28 8.76 1fp2A1 THR 285 HA -0.26 0.27 1.10 -0.75 4.39 4.75 1fp2A1 THR 285 HB -0.19 -0.04 0.20 -0.04 4.32 4.25 1fp2A1 THR 285 HG23 -0.20 -0.02 -0.14 -0.04 1.22 0.82 1fp2A1 ILE 286 H -0.24 0.82 0.41 -0.55 8.25 8.70 1fp2A1 ILE 286 HA -0.12 0.17 0.96 -0.75 4.18 4.43 1fp2A1 ILE 286 HB -0.35 0.03 0.14 -0.04 1.89 1.66 1fp2A1 ILE 286 HG12 -0.09 -0.05 -0.06 -0.04 1.49 1.25 1fp2A1 ILE 286 HG13 -0.24 -0.01 -0.41 -0.04 1.21 0.52 1fp2A1 ILE 286 HG23 -0.30 -0.03 -0.20 -0.04 0.93 0.36 1fp2A1 ILE 286 HD13 -0.28 0.01 -0.14 -0.04 0.88 0.43 1fp2A1 ILE 287 H -0.09 0.65 0.40 -0.55 8.25 8.66 1fp2A1 ILE 287 HA -0.13 0.43 1.08 -0.75 4.18 4.80 1fp2A1 ILE 287 HB -0.14 -0.15 0.25 -0.04 1.89 1.81 1fp2A1 ILE 287 HG12 -0.09 0.11 -0.00 -0.04 1.49 1.47 1fp2A1 ILE 287 HG13 -0.10 -0.04 -0.32 -0.04 1.21 0.70 1fp2A1 ILE 287 HG23 -0.23 0.00 -0.08 -0.04 0.93 0.58 1fp2A1 ILE 287 HD13 -0.06 -0.00 -0.10 -0.04 0.88 0.68 1fp2A1 ASP 288 H -0.09 0.62 0.28 -0.55 8.40 8.65 1fp2A1 ASP 288 HA -0.05 0.02 0.40 -0.75 4.63 4.24 1fp2A1 ASP 288 HB2 0.16 -0.01 -0.18 -0.04 2.71 2.64 1fp2A1 ASP 288 HB3 0.45 0.12 0.11 -0.04 2.70 3.33 1fp2A1 MET 289 H 0.18 0.09 0.15 -0.55 8.47 8.35 1fp2A1 MET 289 HA 0.16 0.17 0.73 -0.75 4.52 4.82 1fp2A1 MET 289 HB2 0.20 -0.08 0.07 -0.04 2.15 2.30 1fp2A1 MET 289 HB3 0.18 0.02 -0.05 -0.04 2.03 2.14 1fp2A1 MET 289 HG2 0.20 0.26 0.02 -0.04 2.63 3.06 1fp2A1 MET 289 HG3 0.16 -0.09 0.03 -0.04 2.56 2.62 1fp2A1 MET 289 HE3 -0.10 0.01 -0.04 -0.04 2.10 1.92 1fp2A1 VAL 290 H 0.18 0.30 0.11 -0.55 8.24 8.28 1fp2A1 VAL 290 HA 0.49 0.36 0.87 -0.75 4.13 5.09 1fp2A1 VAL 290 HB 0.13 -0.02 0.07 -0.04 2.12 2.26 1fp2A1 VAL 290 HG13 0.22 0.00 -0.19 -0.04 0.97 0.96 1fp2A1 VAL 290 HG23 0.03 0.02 -0.21 -0.04 0.95 0.75 1fp2A1 ILE 291 H 0.17 0.55 -0.02 -0.55 8.25 8.40 1fp2A1 ILE 291 HA 0.11 0.08 0.49 -0.75 4.18 4.10 1fp2A1 ILE 291 HB 0.05 -0.06 -0.19 -0.04 1.89 1.65 1fp2A1 ILE 291 HG12 0.08 -0.01 -0.13 -0.04 1.49 1.39 1fp2A1 ILE 291 HG13 0.09 0.00 -0.31 -0.04 1.21 0.94 1fp2A1 ILE 291 HG23 0.05 -0.02 -0.17 -0.04 0.93 0.74 1fp2A1 ILE 291 HD13 0.02 0.06 -0.21 -0.04 0.88 0.72 1fp2A1 ASP 292 H 0.08 0.22 -0.02 -0.55 8.40 8.13 1fp2A1 ASP 292 HA 0.07 0.06 0.63 -0.75 4.63 4.64 1fp2A1 ASP 292 HB2 0.08 0.16 -0.21 -0.04 2.71 2.70 1fp2A1 ASP 292 HB3 0.06 -0.01 0.16 -0.04 2.70 2.87 1fp2A1 LYS 293 H 0.04 0.18 0.06 -0.55 8.42 8.16 1fp2A1 LYS 293 HA 0.04 0.09 0.39 -0.75 4.32 4.09 1fp2A1 LYS 293 HB2 0.03 0.00 0.07 -0.04 1.87 1.93 1fp2A1 LYS 293 HB3 0.03 0.09 0.06 -0.04 1.79 1.92 1fp2A1 LYS 293 HG2 0.03 0.02 0.02 -0.04 1.46 1.49 1fp2A1 LYS 293 HG3 0.03 -0.10 0.04 -0.04 1.46 1.39 1fp2A1 LYS 293 HD2 0.02 0.00 0.01 -0.04 1.69 1.68 1fp2A1 LYS 293 HD3 0.02 0.05 0.00 -0.04 1.68 1.71 1fp2A1 LYS 293 HE2 0.02 0.01 -0.02 -0.04 2.99 2.97 1fp2A1 LYS 293 HE3 0.02 -0.04 -0.01 -0.04 2.99 2.91 1fp2A1 LYS 294 H 0.04 -0.04 -0.25 -0.55 8.42 7.62 1fp2A1 LYS 294 HA 0.02 0.29 0.80 -0.75 4.32 4.68 1fp2A1 LYS 294 HB2 0.02 0.07 0.04 -0.04 1.87 1.97 1fp2A1 LYS 294 HB3 0.02 0.01 0.02 -0.04 1.79 1.80 1fp2A1 LYS 294 HG2 0.04 -0.20 0.06 -0.04 1.46 1.31 1fp2A1 LYS 294 HG3 0.03 0.06 -0.06 -0.04 1.46 1.45 1fp2A1 LYS 294 HD2 0.03 0.06 -0.01 -0.04 1.69 1.73 1fp2A1 LYS 294 HD3 0.03 0.02 -0.01 -0.04 1.68 1.68 1fp2A1 LYS 294 HE2 0.04 -0.10 0.02 -0.04 2.99 2.91 1fp2A1 LYS 294 HE3 0.04 0.01 0.01 -0.04 2.99 3.01 1fp2A1 LYS 295 H 0.04 -0.04 -0.18 -0.55 8.42 7.68 1fp2A1 LYS 295 HA 0.02 0.24 0.85 -0.75 4.32 4.68 1fp2A1 LYS 295 HB2 0.04 -0.03 0.02 -0.04 1.87 1.86 1fp2A1 LYS 295 HB3 0.03 0.04 0.00 -0.04 1.79 1.82 1fp2A1 LYS 295 HG2 0.04 -0.18 -0.05 -0.04 1.46 1.23 1fp2A1 LYS 295 HG3 0.04 0.03 -0.02 -0.04 1.46 1.47 1fp2A1 LYS 295 HD2 0.02 0.04 -0.04 -0.04 1.69 1.68 1fp2A1 LYS 295 HD3 0.02 0.12 -0.24 -0.04 1.68 1.55 1fp2A1 LYS 295 HE2 0.03 -0.09 -0.10 -0.04 2.99 2.79 1fp2A1 LYS 295 HE3 0.03 -0.00 -0.04 -0.04 2.99 2.94 1fp2A1 ASP 296 H 0.04 0.38 0.11 -0.55 8.40 8.38 1fp2A1 ASP 296 HA 0.02 0.06 0.54 -0.75 4.63 4.50 1fp2A1 ASP 296 HB2 0.05 0.06 0.05 -0.04 2.71 2.83 1fp2A1 ASP 296 HB3 0.05 -0.03 0.00 -0.04 2.70 2.68 1fp2A1 GLU 297 H 0.01 0.08 0.18 -0.55 8.60 8.33 1fp2A1 GLU 297 HA 0.01 0.17 0.48 -0.75 4.29 4.20 1fp2A1 GLU 297 HB2 -0.00 0.15 0.14 -0.04 2.09 2.34 1fp2A1 GLU 297 HB3 0.00 -0.05 0.17 -0.04 1.99 2.07 1fp2A1 GLU 297 HG2 0.01 -0.26 -0.10 -0.04 2.34 1.95 1fp2A1 GLU 297 HG3 0.01 -0.02 0.09 -0.04 2.34 2.37 1fp2A1 ASN 298 H 0.02 0.22 0.17 -0.55 8.53 8.39 1fp2A1 ASN 298 HA 0.03 0.13 0.29 -0.75 4.76 4.46 1fp2A1 ASN 298 HB2 0.02 0.10 0.14 -0.04 2.88 3.10 1fp2A1 ASN 298 HB3 0.02 -0.02 0.11 -0.04 2.79 2.86 1fp2A1 ASN 298 HD21 0.02 0.03 -0.07 -0.04 7.03 6.97 1fp2A1 ASN 298 HD22 0.02 0.01 -0.08 -0.04 7.74 7.65 1fp2A1 GLN 299 H 0.02 0.12 -0.13 -0.55 8.47 7.93 1fp2A1 GLN 299 HA 0.04 0.10 0.40 -0.75 4.36 4.15 1fp2A1 GLN 299 HB2 0.02 0.06 0.09 -0.04 2.15 2.27 1fp2A1 GLN 299 HB3 0.02 -0.05 0.04 -0.04 2.02 2.00 1fp2A1 GLN 299 HG2 0.08 -0.02 -0.29 -0.04 2.40 2.13 1fp2A1 GLN 299 HG3 0.04 0.05 0.00 -0.04 2.39 2.44 1fp2A1 GLN 299 HE21 -0.01 0.03 -0.01 -0.04 6.97 6.94 1fp2A1 GLN 299 HE22 0.00 0.02 -0.00 -0.04 7.69 7.67 1fp2A1 VAL 300 H 0.05 0.14 -0.34 -0.55 8.24 7.54 1fp2A1 VAL 300 HA 0.23 0.07 0.43 -0.75 4.13 4.11 1fp2A1 VAL 300 HB 0.05 0.08 0.11 -0.04 2.12 2.31 1fp2A1 VAL 300 HG13 0.09 0.01 -0.10 -0.04 0.97 0.92 1fp2A1 VAL 300 HG23 -0.06 -0.00 0.02 -0.04 0.95 0.86 1fp2A1 THR 301 H 0.07 0.56 -0.12 -0.55 8.28 8.24 1fp2A1 THR 301 HA 0.09 -0.05 0.42 -0.75 4.39 4.10 1fp2A1 THR 301 HB 0.05 0.15 0.10 -0.04 4.32 4.58 1fp2A1 THR 301 HG23 0.04 -0.02 -0.12 -0.04 1.22 1.08 1fp2A1 GLN 302 H 0.07 0.60 -0.20 -0.55 8.47 8.39 1fp2A1 GLN 302 HA 0.04 0.01 0.37 -0.75 4.36 4.02 1fp2A1 GLN 302 HB2 0.05 0.13 0.14 -0.04 2.15 2.43 1fp2A1 GLN 302 HB3 0.04 -0.02 0.00 -0.04 2.02 2.00 1fp2A1 GLN 302 HG2 0.04 0.20 0.03 -0.04 2.40 2.63 1fp2A1 GLN 302 HG3 0.03 -0.02 -0.02 -0.04 2.39 2.34 1fp2A1 GLN 302 HE21 0.03 -0.00 -0.05 -0.04 6.97 6.91 1fp2A1 GLN 302 HE22 0.03 0.01 -0.04 -0.04 7.69 7.65 1fp2A1 ILE 303 H 0.12 0.42 -0.17 -0.55 8.25 8.07 1fp2A1 ILE 303 HA -0.01 0.08 0.57 -0.75 4.18 4.06 1fp2A1 ILE 303 HB 0.24 0.09 0.15 -0.04 1.89 2.33 1fp2A1 ILE 303 HG12 0.17 0.19 0.09 -0.04 1.49 1.90 1fp2A1 ILE 303 HG13 0.24 -0.03 0.02 -0.04 1.21 1.40 1fp2A1 ILE 303 HG23 -0.54 -0.02 -0.11 -0.04 0.93 0.22 1fp2A1 ILE 303 HD13 0.03 -0.01 -0.02 -0.04 0.88 0.85 1fp2A1 LYS 304 H 0.10 0.54 -0.10 -0.55 8.42 8.41 1fp2A1 LYS 304 HA -0.01 0.02 0.46 -0.75 4.32 4.04 1fp2A1 LYS 304 HB2 0.09 0.08 0.14 -0.04 1.87 2.14 1fp2A1 LYS 304 HB3 0.09 -0.08 -0.03 -0.04 1.79 1.72 1fp2A1 LYS 304 HG2 0.18 -0.03 0.02 -0.04 1.46 1.58 1fp2A1 LYS 304 HG3 0.26 0.23 0.07 -0.04 1.46 1.98 1fp2A1 LYS 304 HD2 0.14 -0.10 -0.06 -0.04 1.69 1.63 1fp2A1 LYS 304 HD3 0.16 -0.09 -0.22 -0.04 1.68 1.48 1fp2A1 LYS 304 HE2 0.27 0.17 0.09 -0.04 2.99 3.48 1fp2A1 LYS 304 HE3 0.26 -0.05 -0.02 -0.04 2.99 3.14 1fp2A1 LEU 305 H 0.03 0.61 -0.13 -0.55 8.37 8.33 1fp2A1 LEU 305 HA 0.01 0.01 0.39 -0.75 4.35 4.01 1fp2A1 LEU 305 HB2 0.02 0.13 0.12 -0.04 1.64 1.87 1fp2A1 LEU 305 HB3 0.01 -0.01 0.02 -0.04 1.64 1.62 1fp2A1 LEU 305 HG 0.03 0.06 0.04 -0.04 1.64 1.74 1fp2A1 LEU 305 HD13 0.02 -0.01 -0.07 -0.04 0.93 0.83 1fp2A1 LEU 305 HD23 0.02 -0.02 -0.00 -0.04 0.89 0.84 1fp2A1 LEU 306 H -0.00 0.41 -0.32 -0.55 8.37 7.91 1fp2A1 LEU 306 HA -0.02 0.03 0.47 -0.75 4.35 4.09 1fp2A1 LEU 306 HB2 -0.01 0.02 0.14 -0.04 1.64 1.75 1fp2A1 LEU 306 HB3 -0.03 0.11 0.28 -0.04 1.64 1.95 1fp2A1 LEU 306 HG -0.06 -0.02 -0.27 -0.04 1.64 1.24 1fp2A1 LEU 306 HD13 -0.04 -0.01 0.03 -0.04 0.93 0.87 1fp2A1 LEU 306 HD23 -0.03 -0.01 -0.00 -0.04 0.89 0.81 1fp2A1 MET 307 H -0.05 0.63 -0.07 -0.55 8.47 8.43 1fp2A1 MET 307 HA -0.06 0.02 0.39 -0.75 4.52 4.11 1fp2A1 MET 307 HB2 -0.03 0.10 0.17 -0.04 2.15 2.35 1fp2A1 MET 307 HB3 0.01 -0.06 -0.04 -0.04 2.03 1.90 1fp2A1 MET 307 HG2 -0.15 0.11 0.03 -0.04 2.63 2.58 1fp2A1 MET 307 HG3 -0.13 -0.07 -0.01 -0.04 2.56 2.31 1fp2A1 MET 307 HE3 -0.01 -0.01 -0.01 -0.04 2.10 2.03 1fp2A1 ASP 308 H -0.01 0.49 -0.30 -0.55 8.40 8.03 1fp2A1 ASP 308 HA -0.01 -0.06 0.37 -0.75 4.63 4.17 1fp2A1 ASP 308 HB2 0.00 -0.03 0.17 -0.04 2.71 2.81 1fp2A1 ASP 308 HB3 -0.00 0.17 0.20 -0.04 2.70 3.02 1fp2A1 VAL 309 H -0.02 0.44 -0.16 -0.55 8.24 7.95 1fp2A1 VAL 309 HA 0.00 0.05 0.46 -0.75 4.13 3.88 1fp2A1 VAL 309 HB -0.02 0.10 0.18 -0.04 2.12 2.34 1fp2A1 VAL 309 HG13 0.01 -0.01 -0.09 -0.04 0.97 0.83 1fp2A1 VAL 309 HG23 0.01 0.02 0.06 -0.04 0.95 0.99 1fp2A1 ASN 310 H -0.06 0.53 -0.16 -0.55 8.53 8.30 1fp2A1 ASN 310 HA -0.05 0.01 0.42 -0.75 4.76 4.39 1fp2A1 ASN 310 HB2 -0.13 0.01 0.10 -0.04 2.88 2.82 1fp2A1 ASN 310 HB3 -0.09 0.12 0.16 -0.04 2.79 2.93 1fp2A1 ASN 310 HD21 -0.15 -0.01 0.02 -0.04 7.03 6.85 1fp2A1 ASN 310 HD22 -0.38 0.02 0.09 -0.04 7.74 7.42 1fp2A1 MET 311 H -0.09 0.46 -0.49 -0.55 8.47 7.80 1fp2A1 MET 311 HA -0.26 -0.01 0.37 -0.75 4.52 3.87 1fp2A1 MET 311 HB2 -0.10 0.24 -0.19 -0.04 2.15 2.07 1fp2A1 MET 311 HB3 -0.18 -0.19 -0.08 -0.04 2.03 1.54 1fp2A1 MET 311 HG2 -0.06 0.28 -0.09 -0.04 2.63 2.71 1fp2A1 MET 311 HG3 -0.11 0.01 -0.15 -0.04 2.56 2.27 1fp2A1 MET 311 HE3 -0.47 0.00 -0.06 -0.04 2.10 1.53 1fp2A1 ALA 312 H -0.23 0.53 -0.61 -0.55 8.40 7.55 1fp2A1 ALA 312 HA -0.33 0.07 0.41 -0.75 4.34 3.74 1fp2A1 ALA 312 HB3 -1.08 0.04 0.08 -0.04 1.41 0.41 1fp2A1 CYS 313 H -0.56 0.51 -0.23 -0.55 8.50 7.66 1fp2A1 CYS 313 HA -1.20 -0.06 0.42 -0.75 4.58 2.99 1fp2A1 CYS 313 HB2 -2.79 -0.07 0.04 -0.04 2.97 0.12 1fp2A1 CYS 313 HB3 -1.10 0.12 0.12 -0.04 2.97 2.07 1fp2A1 LEU 314 H -0.51 0.48 -0.24 -0.55 8.37 7.56 1fp2A1 LEU 314 HA -0.39 0.04 0.97 -0.75 4.35 4.21 1fp2A1 LEU 314 HB2 -0.41 0.04 0.09 -0.04 1.64 1.32 1fp2A1 LEU 314 HB3 -0.46 0.13 0.26 -0.04 1.64 1.52 1fp2A1 LEU 314 HG -0.69 -0.07 -0.19 -0.04 1.64 0.65 1fp2A1 LEU 314 HD13 -0.35 0.01 0.03 -0.04 0.93 0.58 1fp2A1 LEU 314 HD23 -0.61 0.01 0.05 -0.04 0.89 0.31 1fp2A1 ASN 315 H -0.26 0.33 -0.05 -0.55 8.53 8.00 1fp2A1 ASN 315 HA 0.12 0.05 0.34 -0.75 4.76 4.52 1fp2A1 ASN 315 HB2 0.02 0.11 -0.02 -0.04 2.88 2.95 1fp2A1 ASN 315 HB3 0.08 -0.08 0.24 -0.04 2.79 2.99 1fp2A1 ASN 315 HD21 0.17 0.37 -0.50 -0.04 7.03 7.03 1fp2A1 ASN 315 HD22 0.09 -0.07 -0.10 -0.04 7.74 7.62 1fp2A1 GLY 316 H -0.20 0.30 -0.27 -0.55 8.43 7.71 1fp2A1 GLY 316 HA2 -0.05 0.07 0.13 -0.51 4.01 3.65 1fp2A1 GLY 316 HA3 -0.17 0.11 0.27 -0.51 4.01 3.71 1fp2A1 LYS 317 H -0.03 0.54 0.24 -0.55 8.42 8.62 1fp2A1 LYS 317 HA -0.04 0.11 0.59 -0.75 4.32 4.23 1fp2A1 LYS 317 HB2 -0.04 0.18 -0.32 -0.04 1.87 1.65 1fp2A1 LYS 317 HB3 -0.09 -0.01 -0.15 -0.04 1.79 1.50 1fp2A1 LYS 317 HG2 -0.14 -0.01 -0.43 -0.04 1.46 0.84 1fp2A1 LYS 317 HG3 -0.07 0.02 -0.00 -0.04 1.46 1.37 1fp2A1 LYS 317 HD2 -0.20 -0.05 -0.16 -0.04 1.69 1.25 1fp2A1 LYS 317 HD3 -0.14 -0.07 -0.09 -0.04 1.68 1.34 1fp2A1 LYS 317 HE2 -0.05 0.07 -0.04 -0.04 2.99 2.93 1fp2A1 LYS 317 HE3 -0.06 0.01 -0.07 -0.04 2.99 2.82 1fp2A1 GLU 318 H -0.02 0.21 0.16 -0.55 8.60 8.40 1fp2A1 GLU 318 HA 0.07 0.12 0.84 -0.75 4.29 4.56 1fp2A1 GLU 318 HB2 0.03 0.02 0.08 -0.04 2.09 2.18 1fp2A1 GLU 318 HB3 0.10 -0.04 -0.01 -0.04 1.99 1.99 1fp2A1 GLU 318 HG2 0.06 0.01 -0.28 -0.04 2.34 2.08 1fp2A1 GLU 318 HG3 0.07 0.03 -0.09 -0.04 2.34 2.30 1fp2A1 ARG 319 H -0.15 0.25 0.06 -0.55 8.46 8.06 1fp2A1 ARG 319 HA -0.24 0.17 0.83 -0.75 4.34 4.35 1fp2A1 ARG 319 HB2 -1.91 0.05 -0.00 -0.04 1.90 -0.00 1fp2A1 ARG 319 HB3 -0.98 -0.01 -0.06 -0.04 1.80 0.71 1fp2A1 ARG 319 HG2 -0.46 -0.00 -0.18 -0.04 1.67 0.99 1fp2A1 ARG 319 HG3 -0.50 -0.01 -0.42 -0.04 1.67 0.70 1fp2A1 ARG 319 HD2 -1.55 0.00 -0.15 -0.04 3.22 1.48 1fp2A1 ARG 319 HD3 -0.99 -0.01 -0.25 -0.04 3.22 1.93 1fp2A1 ASN 320 H -0.13 0.11 0.18 -0.55 8.53 8.14 1fp2A1 ASN 320 HA 0.11 0.28 0.86 -0.75 4.76 5.25 1fp2A1 ASN 320 HB2 0.05 0.03 0.21 -0.04 2.88 3.13 1fp2A1 ASN 320 HB3 0.02 0.03 0.07 -0.04 2.79 2.87 1fp2A1 ASN 320 HD21 -0.02 0.07 0.02 -0.04 7.03 7.06 1fp2A1 ASN 320 HD22 -0.00 0.05 0.03 -0.04 7.74 7.77 1fp2A1 GLU 321 H 0.13 0.28 0.19 -0.55 8.60 8.66 1fp2A1 GLU 321 HA 0.28 0.12 0.42 -0.75 4.29 4.35 1fp2A1 GLU 321 HB2 0.17 0.07 0.12 -0.04 2.09 2.40 1fp2A1 GLU 321 HB3 0.13 -0.02 0.14 -0.04 1.99 2.19 1fp2A1 GLU 321 HG2 0.19 0.01 -0.19 -0.04 2.34 2.31 1fp2A1 GLU 321 HG3 0.20 -0.00 0.03 -0.04 2.34 2.53 1fp2A1 GLU 322 H 0.05 0.08 -0.10 -0.55 8.60 8.09 1fp2A1 GLU 322 HA 0.04 0.14 0.35 -0.75 4.29 4.07 1fp2A1 GLU 322 HB2 0.01 -0.06 0.05 -0.04 2.09 2.06 1fp2A1 GLU 322 HB3 0.01 0.08 -0.03 -0.04 1.99 2.01 1fp2A1 GLU 322 HG2 0.05 -0.07 0.02 -0.04 2.34 2.30 1fp2A1 GLU 322 HG3 0.03 0.05 0.01 -0.04 2.34 2.40 1fp2A1 GLU 323 H -0.07 0.03 -0.34 -0.55 8.60 7.68 1fp2A1 GLU 323 HA -0.12 0.11 0.47 -0.75 4.29 3.99 1fp2A1 GLU 323 HB2 -0.28 -0.02 0.13 -0.04 2.09 1.88 1fp2A1 GLU 323 HB3 -0.30 0.07 -0.02 -0.04 1.99 1.70 1fp2A1 GLU 323 HG2 -0.11 0.09 0.01 -0.04 2.34 2.29 1fp2A1 GLU 323 HG3 -0.09 -0.09 -0.00 -0.04 2.34 2.12 1fp2A1 TRP 324 H -0.08 0.46 -0.15 -0.55 7.97 7.66 1fp2A1 TRP 324 HA -0.55 0.03 0.33 -0.75 4.62 3.67 1fp2A1 TRP 324 HB2 -0.31 0.06 0.10 -0.04 3.23 3.05 1fp2A1 TRP 324 HB3 -0.69 0.01 -0.11 -0.04 3.23 2.40 1fp2A1 TRP 324 HD1 -0.05 -0.08 -0.40 -0.04 7.22 6.65 1fp2A1 TRP 324 HE1 0.02 0.32 0.12 -0.04 10.20 10.61 1fp2A1 TRP 324 HE3 -0.42 -0.00 -0.05 -0.04 7.59 7.08 1fp2A1 TRP 324 HZ2 0.06 0.01 -0.04 -0.04 7.44 7.42 1fp2A1 TRP 324 HZ3 0.09 0.01 -0.09 -0.04 7.13 7.10 1fp2A1 TRP 324 HH2 0.10 -0.13 -0.10 -0.04 7.19 7.02 1fp2A1 LYS 325 H -0.15 0.63 -0.11 -0.55 8.42 8.24 1fp2A1 LYS 325 HA -0.30 0.02 0.29 -0.75 4.32 3.57 1fp2A1 LYS 325 HB2 -0.04 0.01 0.07 -0.04 1.87 1.88 1fp2A1 LYS 325 HB3 0.00 0.05 0.12 -0.04 1.79 1.92 1fp2A1 LYS 325 HG2 0.13 0.02 -0.20 -0.04 1.46 1.36 1fp2A1 LYS 325 HG3 0.35 0.01 -0.02 -0.04 1.46 1.76 1fp2A1 LYS 325 HD2 0.35 -0.02 -0.04 -0.04 1.69 1.94 1fp2A1 LYS 325 HD3 0.14 -0.04 -0.04 -0.04 1.68 1.71 1fp2A1 LYS 325 HE2 0.14 0.01 -0.05 -0.04 2.99 3.06 1fp2A1 LYS 325 HE3 0.25 0.04 -0.03 -0.04 2.99 3.21 1fp2A1 LYS 326 H -0.09 0.45 -0.25 -0.55 8.42 7.98 1fp2A1 LYS 326 HA 0.01 0.03 0.34 -0.75 4.32 3.95 1fp2A1 LYS 326 HB2 -0.03 0.05 0.14 -0.04 1.87 1.99 1fp2A1 LYS 326 HB3 -0.07 0.07 0.13 -0.04 1.79 1.88 1fp2A1 LYS 326 HG2 -0.01 -0.00 -0.09 -0.04 1.46 1.32 1fp2A1 LYS 326 HG3 0.00 -0.01 0.04 -0.04 1.46 1.46 1fp2A1 LYS 326 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.60 1fp2A1 LYS 326 HD3 -0.04 -0.02 -0.01 -0.04 1.68 1.57 1fp2A1 LYS 326 HE2 -0.01 0.01 -0.03 -0.04 2.99 2.92 1fp2A1 LYS 326 HE3 -0.00 0.01 -0.02 -0.04 2.99 2.94 1fp2A1 LEU 327 H -0.19 0.43 -0.26 -0.55 8.37 7.80 1fp2A1 LEU 327 HA 0.00 0.02 0.38 -0.75 4.35 3.99 1fp2A1 LEU 327 HB2 -0.24 0.13 0.12 -0.04 1.64 1.61 1fp2A1 LEU 327 HB3 0.05 -0.03 -0.11 -0.04 1.64 1.50 1fp2A1 LEU 327 HG -0.15 0.09 0.02 -0.04 1.64 1.56 1fp2A1 LEU 327 HD13 -0.09 -0.03 -0.08 -0.04 0.93 0.69 1fp2A1 LEU 327 HD23 0.00 -0.03 -0.01 -0.04 0.89 0.81 1fp2A1 PHE 328 H -0.34 0.53 -0.09 -0.55 8.34 7.88 1fp2A1 PHE 328 HA 0.06 0.00 0.27 -0.75 4.62 4.21 1fp2A1 PHE 328 HB2 0.02 0.09 0.04 -0.04 3.15 3.26 1fp2A1 PHE 328 HB3 0.07 -0.01 -0.12 -0.04 3.06 2.96 1fp2A1 PHE 328 HD2 -0.32 -0.02 -0.18 -0.04 7.28 6.72 1fp2A1 PHE 328 HE2 -0.25 -0.05 -0.16 -0.04 7.38 6.87 1fp2A1 PHE 328 HZ -0.60 -0.06 -0.14 -0.04 7.32 6.48 1fp2A1 ILE 329 H 0.18 0.56 -0.18 -0.55 8.25 8.25 1fp2A1 ILE 329 HA 0.21 0.21 0.44 -0.75 4.18 4.29 1fp2A1 ILE 329 HB 0.10 0.02 0.12 -0.04 1.89 2.10 1fp2A1 ILE 329 HG12 0.19 0.08 -0.00 -0.04 1.49 1.71 1fp2A1 ILE 329 HG13 0.22 0.02 0.00 -0.04 1.21 1.42 1fp2A1 ILE 329 HG23 0.09 -0.01 -0.11 -0.04 0.93 0.86 1fp2A1 ILE 329 HD13 0.13 -0.04 -0.08 -0.04 0.88 0.85 1fp2A1 GLU 330 H 0.10 0.48 -0.14 -0.55 8.60 8.50 1fp2A1 GLU 330 HA 0.08 0.01 0.32 -0.75 4.29 3.95 1fp2A1 GLU 330 HB2 0.05 0.01 0.14 -0.04 2.09 2.25 1fp2A1 GLU 330 HB3 0.07 0.03 0.10 -0.04 1.99 2.16 1fp2A1 GLU 330 HG2 0.06 0.01 -0.05 -0.04 2.34 2.32 1fp2A1 GLU 330 HG3 0.05 -0.01 0.10 -0.04 2.34 2.43 1fp2A1 ALA 331 H 0.21 0.45 -0.37 -0.55 8.40 8.15 1fp2A1 ALA 331 HA 0.13 0.07 0.61 -0.75 4.34 4.39 1fp2A1 ALA 331 HB3 0.34 -0.04 -0.01 -0.04 1.41 1.65 1fp2A1 GLY 332 H 0.15 0.44 -0.46 -0.55 8.43 8.01 1fp2A1 GLY 332 HA2 0.03 0.02 0.28 -0.51 4.01 3.83 1fp2A1 GLY 332 HA3 -0.05 0.05 0.45 -0.51 4.01 3.94 1fp2A1 PHE 333 H 0.35 0.45 -0.01 -0.55 8.34 8.58 1fp2A1 PHE 333 HA 0.03 0.15 0.74 -0.75 4.62 4.79 1fp2A1 PHE 333 HB2 0.08 -0.02 -0.06 -0.04 3.15 3.12 1fp2A1 PHE 333 HB3 -0.03 -0.07 -0.12 -0.04 3.06 2.80 1fp2A1 PHE 333 HD2 -0.03 -0.02 -0.44 -0.04 7.28 6.74 1fp2A1 PHE 333 HE2 -0.06 0.02 -0.19 -0.04 7.38 7.11 1fp2A1 PHE 333 HZ -0.07 -0.02 -0.11 -0.04 7.32 7.08 1fp2A1 GLN 334 H 0.17 0.61 0.41 -0.55 8.47 9.11 1fp2A1 GLN 334 HA 0.16 0.14 0.55 -0.75 4.36 4.45 1fp2A1 GLN 334 HB2 0.26 -0.01 0.10 -0.04 2.15 2.46 1fp2A1 GLN 334 HB3 0.16 -0.08 0.03 -0.04 2.02 2.09 1fp2A1 GLN 334 HG2 0.07 -0.02 -0.05 -0.04 2.40 2.36 1fp2A1 GLN 334 HG3 0.06 0.30 0.07 -0.04 2.39 2.77 1fp2A1 GLN 334 HE21 0.03 -0.04 -0.01 -0.04 6.97 6.91 1fp2A1 GLN 334 HE22 0.05 -0.03 -0.00 -0.04 7.69 7.67 1fp2A1 HIS 335 H 0.17 0.31 0.25 -0.55 8.41 8.59 1fp2A1 HIS 335 HA 0.19 0.10 0.30 -0.75 4.63 4.46 1fp2A1 HIS 335 HB2 -0.01 -0.04 0.19 -0.04 3.26 3.37 1fp2A1 HIS 335 HB3 0.04 0.15 0.06 -0.04 3.20 3.41 1fp2A1 HIS 335 HD2 -0.08 0.03 -0.13 -0.04 6.97 6.74 1fp2A1 HIS 335 HE1 -0.22 0.03 -0.05 -0.04 7.75 7.47 1fp2A1 TYR 336 H -0.07 0.24 0.21 -0.55 8.29 8.12 1fp2A1 TYR 336 HA -0.07 0.31 0.88 -0.75 4.56 4.92 1fp2A1 TYR 336 HB2 -0.20 0.05 0.04 -0.04 3.06 2.91 1fp2A1 TYR 336 HB3 -0.12 -0.01 -0.17 -0.04 2.98 2.64 1fp2A1 TYR 336 HD2 0.17 0.02 -0.28 -0.04 7.15 7.02 1fp2A1 TYR 336 HE2 0.14 -0.02 -0.07 -0.04 6.85 6.86 1fp2A1 LYS 337 H 0.10 0.61 0.36 -0.55 8.42 8.93 1fp2A1 LYS 337 HA -0.02 0.11 0.88 -0.75 4.32 4.53 1fp2A1 LYS 337 HB2 0.12 -0.02 0.09 -0.04 1.87 2.02 1fp2A1 LYS 337 HB3 0.01 0.04 0.00 -0.04 1.79 1.80 1fp2A1 LYS 337 HG2 0.01 0.06 -0.05 -0.04 1.46 1.44 1fp2A1 LYS 337 HG3 0.19 -0.08 -0.57 -0.04 1.46 0.96 1fp2A1 LYS 337 HD2 0.13 0.02 -0.10 -0.04 1.69 1.70 1fp2A1 LYS 337 HD3 -0.01 -0.00 -0.05 -0.04 1.68 1.57 1fp2A1 LYS 337 HE2 -0.03 -0.01 -0.04 -0.04 2.99 2.86 1fp2A1 LYS 337 HE3 0.02 0.00 -0.11 -0.04 2.99 2.87 1fp2A1 ILE 338 H 0.06 0.20 0.19 -0.55 8.25 8.15 1fp2A1 ILE 338 HA 0.02 0.29 1.09 -0.75 4.18 4.82 1fp2A1 ILE 338 HB 0.10 -0.03 0.09 -0.04 1.89 2.01 1fp2A1 ILE 338 HG12 0.01 0.05 -0.09 -0.04 1.49 1.41 1fp2A1 ILE 338 HG13 0.34 -0.06 -0.28 -0.04 1.21 1.17 1fp2A1 ILE 338 HG23 0.02 -0.01 -0.15 -0.04 0.93 0.75 1fp2A1 ILE 338 HD13 0.15 -0.01 -0.07 -0.04 0.88 0.90 1fp2A1 SER 339 H 0.01 0.66 0.36 -0.55 8.46 8.94 1fp2A1 SER 339 HA -0.00 0.15 0.81 -0.75 4.49 4.69 1fp2A1 SER 339 HB2 0.10 -0.03 0.02 -0.04 3.95 4.01 1fp2A1 SER 339 HB3 0.02 0.10 0.08 -0.04 3.93 4.09 1fp2A1 PRO 340 HA 0.02 0.04 0.56 -0.51 4.44 4.55 1fp2A1 PRO 340 HB2 0.02 0.06 -0.02 -0.04 2.28 2.30 1fp2A1 PRO 340 HB3 0.01 0.01 0.04 -0.04 2.02 2.04 1fp2A1 PRO 340 HG2 0.01 0.05 0.06 -0.04 2.03 2.10 1fp2A1 PRO 340 HG3 0.02 0.01 0.02 -0.04 2.03 2.03 1fp2A1 PRO 340 HD2 0.01 0.13 0.22 -0.04 3.68 4.00 1fp2A1 PRO 340 HD3 0.00 0.13 0.20 -0.04 3.65 3.94 1fp2A1 LEU 341 H 0.02 0.44 0.29 -0.55 8.37 8.57 1fp2A1 LEU 341 HA 0.04 0.26 0.96 -0.75 4.35 4.85 1fp2A1 LEU 341 HB2 0.01 -0.04 -0.31 -0.04 1.64 1.26 1fp2A1 LEU 341 HB3 -0.00 -0.04 -0.14 -0.04 1.64 1.42 1fp2A1 LEU 341 HG 0.01 -0.01 -0.30 -0.04 1.64 1.29 1fp2A1 LEU 341 HD13 0.02 0.01 -0.22 -0.04 0.93 0.70 1fp2A1 LEU 341 HD23 -0.04 -0.01 -0.15 -0.04 0.89 0.66 1fp2A1 THR 342 H 0.01 0.36 0.12 -0.55 8.28 8.23 1fp2A1 THR 342 HA 0.00 0.09 0.44 -0.75 4.39 4.17 1fp2A1 THR 342 HB 0.01 0.24 -0.03 -0.04 4.32 4.50 1fp2A1 THR 342 HG23 0.01 -0.03 -0.18 -0.04 1.22 0.98 1fp2A1 GLY 343 H -0.03 0.17 0.09 -0.55 8.43 8.12 1fp2A1 GLY 343 HA2 -0.16 0.05 0.33 -0.51 4.01 3.73 1fp2A1 GLY 343 HA3 -0.05 -0.01 0.41 -0.51 4.01 3.85 1fp2A1 PHE 344 H 0.15 0.12 0.22 -0.55 8.34 8.27 1fp2A1 PHE 344 HA 0.05 0.11 0.57 -0.75 4.62 4.59 1fp2A1 PHE 344 HB2 0.08 0.02 0.08 -0.04 3.15 3.29 1fp2A1 PHE 344 HB3 0.08 -0.04 0.10 -0.04 3.06 3.15 1fp2A1 PHE 344 HD2 0.06 0.01 0.04 -0.04 7.28 7.35 1fp2A1 PHE 344 HE2 0.04 0.02 0.03 -0.04 7.38 7.43 1fp2A1 PHE 344 HZ 0.03 0.02 -0.02 -0.04 7.32 7.31 1fp2A1 LEU 345 H 0.09 0.57 -0.17 -0.55 8.37 8.32 1fp2A1 LEU 345 HA 0.09 0.13 0.77 -0.75 4.35 4.59 1fp2A1 LEU 345 HB2 -0.01 0.04 0.05 -0.04 1.64 1.68 1fp2A1 LEU 345 HB3 -0.06 0.08 -0.05 -0.04 1.64 1.57 1fp2A1 LEU 345 HG 0.12 -0.09 -0.10 -0.04 1.64 1.53 1fp2A1 LEU 345 HD13 -0.20 0.01 -0.08 -0.04 0.93 0.62 1fp2A1 LEU 345 HD23 0.05 0.00 -0.25 -0.04 0.89 0.65 1fp2A1 SER 346 H 0.01 0.54 0.29 -0.55 8.46 8.76 1fp2A1 SER 346 HA 0.01 0.07 1.01 -0.75 4.49 4.83 1fp2A1 SER 346 HB2 -0.03 0.04 -0.02 -0.04 3.95 3.89 1fp2A1 SER 346 HB3 -0.02 0.08 0.03 -0.04 3.93 3.99 1fp2A1 LEU 347 H -0.01 0.76 0.28 -0.55 8.37 8.86 1fp2A1 LEU 347 HA -0.08 0.21 0.91 -0.75 4.35 4.64 1fp2A1 LEU 347 HB2 0.02 -0.02 -0.10 -0.04 1.64 1.49 1fp2A1 LEU 347 HB3 0.08 -0.03 0.08 -0.04 1.64 1.74 1fp2A1 LEU 347 HG 0.04 0.02 -0.08 -0.04 1.64 1.57 1fp2A1 LEU 347 HD13 0.03 0.02 -0.30 -0.04 0.93 0.64 1fp2A1 LEU 347 HD23 -0.10 0.01 -0.07 -0.04 0.89 0.69 1fp2A1 ILE 348 H -0.18 0.75 0.39 -0.55 8.25 8.65 1fp2A1 ILE 348 HA -0.10 0.32 1.22 -0.75 4.18 4.87 1fp2A1 ILE 348 HB -0.40 -0.08 0.09 -0.04 1.89 1.45 1fp2A1 ILE 348 HG12 -0.25 -0.01 -0.18 -0.04 1.49 1.01 1fp2A1 ILE 348 HG13 -0.32 -0.01 -0.31 -0.04 1.21 0.53 1fp2A1 ILE 348 HG23 -0.23 0.00 -0.18 -0.04 0.93 0.49 1fp2A1 ILE 348 HD13 -1.17 -0.02 -0.16 -0.04 0.88 -0.51 1fp2A1 GLU 349 H -0.10 0.61 0.40 -0.55 8.60 8.96 1fp2A1 GLU 349 HA -0.36 0.33 1.25 -0.75 4.29 4.75 1fp2A1 GLU 349 HB2 -0.05 -0.07 0.11 -0.04 2.09 2.04 1fp2A1 GLU 349 HB3 -0.46 0.08 0.03 -0.04 1.99 1.61 1fp2A1 GLU 349 HG2 -0.17 0.03 -0.07 -0.04 2.34 2.09 1fp2A1 GLU 349 HG3 0.02 -0.07 -0.26 -0.04 2.34 1.99 1fp2A1 ILE 350 H -0.62 0.70 0.42 -0.55 8.25 8.19 1fp2A1 ILE 350 HA -0.50 0.22 1.13 -0.75 4.18 4.27 1fp2A1 ILE 350 HB -0.79 0.05 0.01 -0.04 1.89 1.11 1fp2A1 ILE 350 HG12 -0.75 0.06 0.06 -0.04 1.49 0.82 1fp2A1 ILE 350 HG13 -0.84 0.00 -0.01 -0.04 1.21 0.32 1fp2A1 ILE 350 HG23 -1.61 -0.03 -0.23 -0.04 0.93 -0.99 1fp2A1 ILE 350 HD13 -1.54 -0.01 -0.11 -0.04 0.88 -0.82 1fp2A1 TYR 351 H -0.07 0.54 0.31 -0.55 8.29 8.51 1fp2A1 TYR 351 HA 0.01 0.31 0.99 -0.75 4.56 5.12 1fp2A1 TYR 351 HB2 -0.53 -0.10 0.15 -0.04 3.06 2.54 1fp2A1 TYR 351 HB3 -0.05 0.09 0.04 -0.04 2.98 3.02 1fp2A1 TYR 351 HD2 -0.45 0.13 -0.16 -0.04 7.15 6.62 1fp2A1 TYR 351 HE2 -0.10 0.00 -0.16 -0.04 6.85 6.56 1fp2A1 PRO 352 HA -0.27 0.11 0.49 -0.51 4.44 4.26 1fp2A1 PRO 352 HB2 -0.17 0.06 0.06 -0.04 2.28 2.20 1fp2A1 PRO 352 HB3 -0.43 -0.00 0.01 -0.04 2.02 1.56 1fp2A1 PRO 352 HG2 -0.00 0.04 0.05 -0.04 2.03 2.07 1fp2A1 PRO 352 HG3 -0.03 0.04 -0.09 -0.04 2.03 1.91 1fp2A1 PRO 352 HD2 0.10 0.39 0.38 -0.04 3.68 4.50 1fp2A1 PRO 352 HD3 0.19 0.03 0.07 -0.04 3.65 3.90