============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. TYR 31 0.840 26.271 -33.602 65.561 -99.200 -91.000 TYR 32 0.840 28.663 -34.891 69.379 -99.200 -91.000 PHE 36 1.000 24.869 -28.297 63.683 -99.200 -91.000 TRP 39 1.040 16.444 -17.829 61.596 -99.200 -91.000 TRP6 39 1.020 14.164 -17.964 60.923 -99.200 -91.000 PHE 40 1.000 20.772 -18.998 54.501 -99.200 -91.000 TYR 53 0.840 27.447 -18.461 62.895 -99.200 -91.000 PHE 66 1.000 18.016 -8.020 60.147 -99.200 -91.000 PHE 75 1.000 15.984 -24.062 66.450 -99.200 -91.000 HIS 78 0.900 13.248 -13.285 68.114 -99.200 -91.000 HIS 80 0.900 12.618 -3.065 68.700 -99.200 -91.000 TYR 90 0.840 13.656 -11.203 56.524 -99.200 -91.000 PHE 91 1.000 13.040 -18.338 51.500 -99.200 -91.000 TRP 100 1.040 22.843 -28.302 54.212 -99.200 -91.000 TRP6 100 1.020 24.238 -29.913 53.173 -99.200 -91.000 PHE 102 1.000 17.317 -23.855 51.797 -99.200 -91.000 PHE 122 1.000 -1.826 4.322 29.908 -99.200 -91.000 PHE 139 1.000 0.705 0.833 33.353 -99.200 -91.000 PHE 143 1.000 -2.165 -0.982 44.944 -99.200 -91.000 TYR 144 0.840 0.639 -1.086 53.173 -99.200 -91.000 TRP 152 1.040 -10.003 -4.961 32.819 -99.200 -91.000 TRP6 152 1.020 -9.365 -3.033 31.630 -99.200 -91.000 TRP 167 1.040 -1.085 -6.552 43.221 -99.200 -91.000 TRP6 167 1.020 -2.654 -7.870 42.046 -99.200 -91.000 TYR 177 0.840 2.672 -4.162 48.425 -99.200 -91.000 TYR 190 0.840 -10.796 -0.982 20.878 -99.200 -91.000 HIS 193 0.900 -18.527 -4.809 22.544 -99.200 -91.000 TYR 196 0.840 -13.501 -0.927 24.914 -99.200 -91.000 HIS 202 0.900 -6.200 0.411 48.653 -99.200 -91.000 PHE 213 1.000 -10.374 3.038 26.023 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2hrpM1 ASP 1 HA -0.04 -0.01 0.06 -0.75 4.63 3.89 2hrpM1 ASP 1 HB2 -0.00 -0.02 -0.24 -0.04 2.71 2.40 2hrpM1 ASP 1 HB3 -0.02 0.06 -0.05 -0.04 2.70 2.66 2hrpM1 THR 2 H -0.04 0.17 -0.02 -0.55 8.28 7.84 2hrpM1 THR 2 HA -0.01 0.11 0.82 -0.75 4.39 4.56 2hrpM1 THR 2 HB -0.02 -0.02 0.04 -0.04 4.32 4.28 2hrpM1 THR 2 HG23 -0.07 0.03 -0.02 -0.04 1.22 1.12 2hrpM1 VAL 3 H 0.01 0.16 0.14 -0.55 8.24 7.99 2hrpM1 VAL 3 HA 0.02 0.15 0.73 -0.75 4.13 4.28 2hrpM1 VAL 3 HB 0.02 -0.04 0.14 -0.04 2.12 2.20 2hrpM1 VAL 3 HG13 0.04 0.00 -0.12 -0.04 0.97 0.85 2hrpM1 VAL 3 HG23 0.02 0.05 -0.08 -0.04 0.95 0.90 2hrpM1 LEU 4 H 0.04 0.26 0.09 -0.55 8.37 8.22 2hrpM1 LEU 4 HA 0.04 0.27 0.92 -0.75 4.35 4.83 2hrpM1 LEU 4 HB2 0.04 0.03 -0.22 -0.04 1.64 1.45 2hrpM1 LEU 4 HB3 0.01 -0.04 -0.22 -0.04 1.64 1.35 2hrpM1 LEU 4 HG -0.02 0.09 -0.29 -0.04 1.64 1.38 2hrpM1 LEU 4 HD13 -0.10 -0.03 -0.31 -0.04 0.93 0.44 2hrpM1 LEU 4 HD23 -0.02 -0.00 -0.29 -0.04 0.89 0.54 2hrpM1 THR 5 H 0.07 0.89 0.32 -0.55 8.28 9.01 2hrpM1 THR 5 HA 0.07 0.09 0.91 -0.75 4.39 4.71 2hrpM1 THR 5 HB 0.06 0.07 0.20 -0.04 4.32 4.61 2hrpM1 THR 5 HG23 0.06 -0.01 -0.15 -0.04 1.22 1.08 2hrpM1 GLN 6 H 0.09 0.12 0.21 -0.55 8.47 8.35 2hrpM1 GLN 6 HA 0.15 0.39 1.05 -0.75 4.36 5.19 2hrpM1 GLN 6 HB2 0.13 -0.17 0.04 -0.04 2.15 2.11 2hrpM1 GLN 6 HB3 0.12 -0.04 0.17 -0.04 2.02 2.23 2hrpM1 GLN 6 HG2 0.16 0.19 -0.32 -0.04 2.40 2.39 2hrpM1 GLN 6 HG3 0.29 0.19 -0.07 -0.04 2.39 2.77 2hrpM1 GLN 6 HE21 0.35 0.16 -0.42 -0.04 6.97 7.02 2hrpM1 GLN 6 HE22 0.35 0.05 -0.24 -0.04 7.69 7.81 2hrpM1 SER 7 H 0.14 0.60 0.31 -0.55 8.46 8.96 2hrpM1 SER 7 HA 0.07 0.10 0.68 -0.75 4.49 4.59 2hrpM1 SER 7 HB2 0.05 -0.04 0.10 -0.04 3.95 4.02 2hrpM1 SER 7 HB3 0.06 0.01 -0.12 -0.04 3.93 3.84 2hrpM1 PRO 8 HA 0.04 0.02 0.43 -0.51 4.44 4.43 2hrpM1 PRO 8 HB2 0.03 0.08 -0.05 -0.04 2.28 2.29 2hrpM1 PRO 8 HB3 0.03 0.03 0.23 -0.04 2.02 2.26 2hrpM1 PRO 8 HG2 0.02 0.06 0.13 -0.04 2.03 2.20 2hrpM1 PRO 8 HG3 0.03 -0.02 0.09 -0.04 2.03 2.09 2hrpM1 PRO 8 HD2 0.02 0.06 0.33 -0.04 3.68 4.05 2hrpM1 PRO 8 HD3 0.03 0.20 0.53 -0.04 3.65 4.38 2hrpM1 ALA 9 H 0.03 0.11 0.23 -0.55 8.40 8.23 2hrpM1 ALA 9 HA 0.04 0.35 0.79 -0.75 4.34 4.76 2hrpM1 ALA 9 HB3 0.03 -0.00 0.16 -0.04 1.41 1.55 2hrpM1 SER 10 H 0.03 0.12 0.01 -0.55 8.46 8.07 2hrpM1 SER 10 HA 0.04 0.27 0.59 -0.75 4.49 4.63 2hrpM1 SER 10 HB2 0.01 -0.09 -0.02 -0.04 3.95 3.81 2hrpM1 SER 10 HB3 0.02 0.01 0.04 -0.04 3.93 3.96 2hrpM1 LEU 11 H 0.05 0.64 0.26 -0.55 8.37 8.78 2hrpM1 LEU 11 HA 0.04 0.01 0.39 -0.75 4.35 4.04 2hrpM1 LEU 11 HB2 0.02 0.02 0.11 -0.04 1.64 1.74 2hrpM1 LEU 11 HB3 0.02 0.14 0.12 -0.04 1.64 1.89 2hrpM1 LEU 11 HG 0.01 -0.04 -0.09 -0.04 1.64 1.49 2hrpM1 LEU 11 HD13 -0.02 0.02 -0.06 -0.04 0.93 0.83 2hrpM1 LEU 11 HD23 0.01 -0.00 -0.31 -0.04 0.89 0.55 2hrpM1 ALA 12 H 0.06 0.22 0.15 -0.55 8.40 8.28 2hrpM1 ALA 12 HA 0.10 0.35 0.74 -0.75 4.34 4.77 2hrpM1 ALA 12 HB3 0.16 -0.01 -0.07 -0.04 1.41 1.45 2hrpM1 VAL 13 H 0.04 0.60 0.24 -0.55 8.24 8.57 2hrpM1 VAL 13 HA 0.02 0.16 0.97 -0.75 4.13 4.53 2hrpM1 VAL 13 HB -0.01 -0.01 -0.07 -0.04 2.12 1.99 2hrpM1 VAL 13 HG13 -0.01 0.07 -0.28 -0.04 0.97 0.71 2hrpM1 VAL 13 HG23 -0.01 -0.02 -0.23 -0.04 0.95 0.66 2hrpM1 SER 14 H 0.01 0.14 0.16 -0.55 8.46 8.22 2hrpM1 SER 14 HA -0.02 0.20 0.68 -0.75 4.49 4.59 2hrpM1 SER 14 HB2 -0.00 -0.02 0.08 -0.04 3.95 3.97 2hrpM1 SER 14 HB3 -0.01 0.05 0.13 -0.04 3.93 4.05 2hrpM1 LEU 15 H -0.04 0.15 0.14 -0.55 8.37 8.07 2hrpM1 LEU 15 HA -0.05 0.07 0.27 -0.75 4.35 3.88 2hrpM1 LEU 15 HB2 -0.04 -0.01 0.10 -0.04 1.64 1.65 2hrpM1 LEU 15 HB3 -0.05 0.05 0.03 -0.04 1.64 1.63 2hrpM1 LEU 15 HG -0.05 0.02 0.03 -0.04 1.64 1.59 2hrpM1 LEU 15 HD13 -0.04 0.01 0.01 -0.04 0.93 0.86 2hrpM1 LEU 15 HD23 -0.04 -0.01 -0.19 -0.04 0.89 0.61 2hrpM1 GLY 16 H -0.08 0.67 0.24 -0.55 8.43 8.71 2hrpM1 GLY 16 HA2 -0.13 -0.01 0.41 -0.51 4.01 3.76 2hrpM1 GLY 16 HA3 -0.06 0.09 0.54 -0.51 4.01 4.07 2hrpM1 GLN 17 H -0.03 0.48 -0.65 -0.55 8.47 7.73 2hrpM1 GLN 17 HA 0.09 0.08 0.52 -0.75 4.36 4.29 2hrpM1 GLN 17 HB2 0.00 0.19 0.12 -0.04 2.15 2.42 2hrpM1 GLN 17 HB3 0.02 -0.01 0.20 -0.04 2.02 2.20 2hrpM1 GLN 17 HG2 0.02 -0.01 0.01 -0.04 2.40 2.38 2hrpM1 GLN 17 HG3 0.00 0.10 -0.09 -0.04 2.39 2.36 2hrpM1 GLN 17 HE21 0.01 -0.02 0.04 -0.04 6.97 6.96 2hrpM1 GLN 17 HE22 0.01 0.02 0.01 -0.04 7.69 7.68 2hrpM1 ARG 18 H 0.08 0.09 0.21 -0.55 8.46 8.28 2hrpM1 ARG 18 HA 0.07 0.42 1.16 -0.75 4.34 5.23 2hrpM1 ARG 18 HB2 0.09 -0.02 0.05 -0.04 1.90 1.98 2hrpM1 ARG 18 HB3 -0.01 -0.07 0.07 -0.04 1.80 1.75 2hrpM1 ARG 18 HG2 -0.00 0.03 -0.24 -0.04 1.67 1.41 2hrpM1 ARG 18 HG3 0.03 0.04 -0.21 -0.04 1.67 1.49 2hrpM1 ARG 18 HD2 -0.02 -0.00 -0.14 -0.04 3.22 3.02 2hrpM1 ARG 18 HD3 -0.10 0.01 -0.11 -0.04 3.22 2.99 2hrpM1 ALA 19 H -0.05 0.59 0.32 -0.55 8.40 8.71 2hrpM1 ALA 19 HA -0.04 0.10 0.76 -0.75 4.34 4.40 2hrpM1 ALA 19 HB3 -0.11 0.00 -0.06 -0.04 1.41 1.20 2hrpM1 THR 20 H -0.05 0.24 0.12 -0.55 8.28 8.04 2hrpM1 THR 20 HA -0.16 0.44 1.04 -0.75 4.39 4.96 2hrpM1 THR 20 HB 0.02 -0.05 0.05 -0.04 4.32 4.30 2hrpM1 THR 20 HG23 0.04 0.00 -0.17 -0.04 1.22 1.06 2hrpM1 ILE 21 H -0.35 0.66 0.34 -0.55 8.25 8.35 2hrpM1 ILE 21 HA -0.03 0.23 1.03 -0.75 4.18 4.66 2hrpM1 ILE 21 HB -0.43 -0.07 0.07 -0.04 1.89 1.42 2hrpM1 ILE 21 HG12 -0.03 0.07 -0.12 -0.04 1.49 1.38 2hrpM1 ILE 21 HG13 -0.17 -0.11 -0.44 -0.04 1.21 0.45 2hrpM1 ILE 21 HG23 0.26 0.02 -0.22 -0.04 0.93 0.95 2hrpM1 ILE 21 HD13 -0.22 -0.00 -0.14 -0.04 0.88 0.47 2hrpM1 SER 22 H 0.11 0.93 0.46 -0.55 8.46 9.41 2hrpM1 SER 22 HA 0.23 0.28 1.19 -0.75 4.49 5.44 2hrpM1 SER 22 HB2 0.10 0.02 0.13 -0.04 3.95 4.17 2hrpM1 SER 22 HB3 0.13 -0.03 0.05 -0.04 3.93 4.04 2hrpM1 CYS 23 H 0.31 0.67 0.38 -0.55 8.50 9.31 2hrpM1 CYS 23 HA 0.17 0.24 0.85 -0.75 4.58 5.09 2hrpM1 CYS 23 HB2 0.24 -0.00 -0.34 -0.04 2.97 2.83 2hrpM1 CYS 23 HB3 0.25 -0.02 -0.01 -0.04 2.97 3.15 2hrpM1 ARG 24 H 0.11 0.64 0.33 -0.55 8.46 8.99 2hrpM1 ARG 24 HA 0.13 0.53 1.16 -0.75 4.34 5.40 2hrpM1 ARG 24 HB2 0.08 -0.03 0.08 -0.04 1.90 1.99 2hrpM1 ARG 24 HB3 0.07 -0.07 0.13 -0.04 1.80 1.89 2hrpM1 ARG 24 HG2 0.04 -0.06 -0.02 -0.04 1.67 1.60 2hrpM1 ARG 24 HG3 0.05 0.08 -0.03 -0.04 1.67 1.74 2hrpM1 ARG 24 HD2 0.02 -0.09 -0.07 -0.04 3.22 3.04 2hrpM1 ARG 24 HD3 0.06 0.33 0.18 -0.04 3.22 3.74 2hrpM1 ALA 25 H 0.13 0.47 0.32 -0.55 8.40 8.77 2hrpM1 ALA 25 HA 0.06 0.27 1.00 -0.75 4.34 4.92 2hrpM1 ALA 25 HB3 0.10 -0.03 0.03 -0.04 1.41 1.47 2hrpM1 SER 26 H 0.03 0.50 0.28 -0.55 8.46 8.72 2hrpM1 SER 26 HA 0.03 0.04 0.40 -0.75 4.49 4.20 2hrpM1 SER 26 HB2 0.01 0.03 0.12 -0.04 3.95 4.07 2hrpM1 SER 26 HB3 0.02 0.03 0.21 -0.04 3.93 4.15 2hrpM1 GLU 27 H 0.03 0.13 -0.16 -0.55 8.60 8.05 2hrpM1 GLU 27 HA 0.02 0.13 0.72 -0.75 4.29 4.40 2hrpM1 SER 27 H 0.03 0.10 0.08 -0.55 8.46 8.12 2hrpM1 SER 27 HA 0.10 0.15 0.17 -0.75 4.49 4.15 2hrpM1 SER 27 HB2 0.04 -0.00 0.09 -0.04 3.95 4.03 2hrpM1 SER 27 HB3 0.03 0.06 0.12 -0.04 3.93 4.10 2hrpM1 VAL 27 H 0.21 0.58 0.28 -0.55 8.24 8.77 2hrpM1 VAL 27 HA 0.03 0.23 0.82 -0.75 4.13 4.45 2hrpM1 VAL 27 HB 0.04 -0.08 0.12 -0.04 2.12 2.16 2hrpM1 VAL 27 HG13 0.03 0.05 -0.10 -0.04 0.97 0.90 2hrpM1 VAL 27 HG23 0.10 0.02 -0.22 -0.04 0.95 0.81 2hrpM1 ASP 27 H 0.14 -0.01 -0.04 -0.55 8.40 7.94 2hrpM1 ASP 27 HA 0.26 0.23 0.79 -0.75 4.63 5.15 2hrpM1 ASP 27 HB2 0.09 -0.01 0.06 -0.04 2.71 2.81 2hrpM1 ASP 27 HB3 0.11 0.00 -0.05 -0.04 2.70 2.73 2hrpM1 TYR 27 H 0.30 0.71 0.25 -0.55 8.29 9.00 2hrpM1 TYR 27 HA 0.01 0.06 0.71 -0.75 4.56 4.58 2hrpM1 TYR 27 HB2 -0.35 0.11 -0.25 -0.04 3.06 2.53 2hrpM1 TYR 27 HB3 -0.52 -0.01 0.03 -0.04 2.98 2.44 2hrpM1 TYR 27 HD2 -0.03 0.01 -0.03 -0.04 7.15 7.06 2hrpM1 TYR 27 HE2 -0.01 -0.00 -0.02 -0.04 6.85 6.78 2hrpM1 TYR 28 H -0.33 0.17 0.11 -0.55 8.29 7.69 2hrpM1 TYR 28 HA -0.18 0.03 0.36 -0.75 4.56 4.02 2hrpM1 TYR 28 HB2 -0.38 0.07 -0.24 -0.04 3.06 2.46 2hrpM1 TYR 28 HB3 -0.12 0.04 0.24 -0.04 2.98 3.10 2hrpM1 TYR 28 HD2 -1.15 -0.02 0.00 -0.04 7.15 5.94 2hrpM1 TYR 28 HE2 -0.16 0.01 0.01 -0.04 6.85 6.67 2hrpM1 GLY 29 H 0.03 0.02 -0.17 -0.55 8.43 7.77 2hrpM1 GLY 29 HA2 0.06 -0.03 0.29 -0.51 4.01 3.82 2hrpM1 GLY 29 HA3 0.08 0.17 0.60 -0.51 4.01 4.35 2hrpM1 LYS 30 H 0.25 0.41 -0.27 -0.55 8.42 8.26 2hrpM1 LYS 30 HA 0.14 0.22 0.90 -0.75 4.32 4.83 2hrpM1 LYS 30 HB2 0.47 0.08 0.00 -0.04 1.87 2.38 2hrpM1 LYS 30 HB3 0.03 -0.02 -0.00 -0.04 1.79 1.75 2hrpM1 LYS 30 HG2 0.06 0.01 -0.02 -0.04 1.46 1.47 2hrpM1 LYS 30 HG3 0.13 0.02 -0.31 -0.04 1.46 1.25 2hrpM1 LYS 30 HD2 0.21 -0.04 -0.04 -0.04 1.69 1.78 2hrpM1 LYS 30 HD3 0.13 -0.02 -0.03 -0.04 1.68 1.72 2hrpM1 LYS 30 HE2 0.18 0.16 0.02 -0.04 2.99 3.31 2hrpM1 LYS 30 HE3 0.35 0.18 -0.01 -0.04 2.99 3.47 2hrpM1 SER 31 H 0.14 0.31 0.09 -0.55 8.46 8.45 2hrpM1 SER 31 HA 0.33 0.09 0.74 -0.75 4.49 4.90 2hrpM1 SER 31 HB2 0.30 0.08 0.02 -0.04 3.95 4.30 2hrpM1 SER 31 HB3 0.57 -0.02 -0.13 -0.04 3.93 4.30 2hrpM1 PHE 32 H 0.46 0.67 0.05 -0.55 8.34 8.98 2hrpM1 PHE 32 HA -0.01 0.10 0.58 -0.75 4.62 4.54 2hrpM1 PHE 32 HB2 -0.05 0.15 0.19 -0.04 3.15 3.40 2hrpM1 PHE 32 HB3 -0.07 -0.22 0.04 -0.04 3.06 2.77 2hrpM1 PHE 32 HD2 0.03 0.05 -0.22 -0.04 7.28 7.09 2hrpM1 PHE 32 HE2 0.11 0.07 -0.03 -0.04 7.38 7.49 2hrpM1 PHE 32 HZ 0.19 0.01 -0.05 -0.04 7.32 7.43 2hrpM1 MET 33 H -0.20 0.48 -0.20 -0.55 8.47 8.00 2hrpM1 MET 33 HA -0.33 0.31 1.06 -0.75 4.52 4.81 2hrpM1 MET 33 HB2 -1.36 -0.04 -0.24 -0.04 2.15 0.47 2hrpM1 MET 33 HB3 -0.72 -0.02 -0.07 -0.04 2.03 1.18 2hrpM1 MET 33 HG2 -0.55 0.00 -0.22 -0.04 2.63 1.82 2hrpM1 MET 33 HG3 -0.61 0.05 -0.43 -0.04 2.56 1.53 2hrpM1 MET 33 HE3 -0.45 -0.01 -0.23 -0.04 2.10 1.37 2hrpM1 ASN 34 H -0.28 0.74 0.38 -0.55 8.53 8.82 2hrpM1 ASN 34 HA -0.10 0.20 0.86 -0.75 4.76 4.96 2hrpM1 ASN 34 HB2 -0.02 -0.00 -0.04 -0.04 2.88 2.77 2hrpM1 ASN 34 HB3 -0.21 0.11 0.13 -0.04 2.79 2.78 2hrpM1 ASN 34 HD21 0.10 -0.04 -0.17 -0.04 7.03 6.87 2hrpM1 ASN 34 HD22 0.12 0.05 -0.21 -0.04 7.74 7.65 2hrpM1 TRP 35 H -0.05 0.70 0.40 -0.55 7.97 8.48 2hrpM1 TRP 35 HA 0.08 0.31 1.06 -0.75 4.62 5.32 2hrpM1 TRP 35 HB2 -0.05 -0.10 0.08 -0.04 3.23 3.13 2hrpM1 TRP 35 HB3 0.07 0.08 -0.00 -0.04 3.23 3.34 2hrpM1 TRP 35 HD1 -0.04 0.01 -0.26 -0.04 7.22 6.89 2hrpM1 TRP 35 HE1 0.03 0.03 -0.26 -0.04 10.20 9.96 2hrpM1 TRP 35 HE3 0.17 0.08 -0.29 -0.04 7.59 7.51 2hrpM1 TRP 35 HZ2 0.08 0.02 -0.41 -0.04 7.44 7.09 2hrpM1 TRP 35 HZ3 0.10 0.01 -0.33 -0.04 7.13 6.87 2hrpM1 TRP 35 HH2 0.06 0.04 -0.50 -0.04 7.19 6.74 2hrpM1 PHE 36 H 0.56 0.61 0.37 -0.55 8.34 9.32 2hrpM1 PHE 36 HA 0.17 0.19 1.02 -0.75 4.62 5.24 2hrpM1 PHE 36 HB2 0.28 -0.01 -0.04 -0.04 3.15 3.34 2hrpM1 PHE 36 HB3 0.14 -0.02 -0.04 -0.04 3.06 3.10 2hrpM1 PHE 36 HD2 0.14 0.04 -0.42 -0.04 7.28 7.00 2hrpM1 PHE 36 HE2 0.04 -0.01 -0.20 -0.04 7.38 7.16 2hrpM1 PHE 36 HZ 0.04 -0.01 -0.14 -0.04 7.32 7.16 2hrpM1 GLN 37 H 0.23 0.47 0.38 -0.55 8.47 9.01 2hrpM1 GLN 37 HA -0.20 0.27 0.99 -0.75 4.36 4.66 2hrpM1 GLN 37 HB2 -0.01 -0.01 -0.11 -0.04 2.15 1.98 2hrpM1 GLN 37 HB3 -0.03 -0.03 0.08 -0.04 2.02 2.01 2hrpM1 GLN 37 HG2 -0.16 -0.03 -0.26 -0.04 2.40 1.91 2hrpM1 GLN 37 HG3 -0.55 0.06 -0.07 -0.04 2.39 1.78 2hrpM1 GLN 37 HE21 -0.03 -0.01 -0.08 -0.04 6.97 6.81 2hrpM1 GLN 37 HE22 -0.04 -0.05 -0.11 -0.04 7.69 7.46 2hrpM1 GLN 38 H -0.20 0.66 0.22 -0.55 8.47 8.60 2hrpM1 GLN 38 HA 0.01 0.23 0.72 -0.75 4.36 4.56 2hrpM1 GLN 38 HB2 0.13 -0.08 -0.21 -0.04 2.15 1.95 2hrpM1 GLN 38 HB3 0.16 -0.07 0.05 -0.04 2.02 2.12 2hrpM1 GLN 38 HG2 0.03 0.03 -0.32 -0.04 2.40 2.10 2hrpM1 GLN 38 HG3 0.02 0.20 -0.25 -0.04 2.39 2.32 2hrpM1 GLN 38 HE21 0.09 -0.04 -0.06 -0.04 6.97 6.93 2hrpM1 GLN 38 HE22 0.26 -0.05 -0.07 -0.04 7.69 7.79 2hrpM1 LYS 39 H -0.02 0.17 0.02 -0.55 8.42 8.04 2hrpM1 LYS 39 HA -0.02 0.13 0.81 -0.75 4.32 4.49 2hrpM1 LYS 39 HB2 -0.01 -0.02 0.06 -0.04 1.87 1.86 2hrpM1 LYS 39 HB3 -0.00 0.05 0.14 -0.04 1.79 1.94 2hrpM1 LYS 39 HG2 -0.02 0.14 -0.04 -0.04 1.46 1.51 2hrpM1 LYS 39 HG3 -0.03 -0.11 -0.08 -0.04 1.46 1.21 2hrpM1 LYS 39 HD2 0.01 -0.07 0.00 -0.04 1.69 1.58 2hrpM1 LYS 39 HD3 0.01 0.00 0.04 -0.04 1.68 1.69 2hrpM1 LYS 39 HE2 0.05 0.20 -0.04 -0.04 2.99 3.16 2hrpM1 LYS 39 HE3 0.02 -0.12 -0.05 -0.04 2.99 2.80 2hrpM1 PRO 40 HA 0.02 -0.03 0.48 -0.51 4.44 4.40 2hrpM1 PRO 40 HB2 0.01 0.01 0.08 -0.04 2.28 2.35 2hrpM1 PRO 40 HB3 0.03 -0.02 0.09 -0.04 2.02 2.08 2hrpM1 PRO 40 HG2 0.02 0.04 0.09 -0.04 2.03 2.13 2hrpM1 PRO 40 HG3 0.03 0.02 0.11 -0.04 2.03 2.15 2hrpM1 PRO 40 HD2 0.01 0.12 0.22 -0.04 3.68 3.99 2hrpM1 PRO 40 HD3 0.01 0.17 0.29 -0.04 3.65 4.08 2hrpM1 GLY 41 H 0.01 0.10 0.18 -0.55 8.43 8.18 2hrpM1 GLY 41 HA2 0.00 -0.02 0.33 -0.51 4.01 3.81 2hrpM1 GLY 41 HA3 0.00 -0.01 0.33 -0.51 4.01 3.83 2hrpM1 GLN 42 H 0.00 0.35 -0.21 -0.55 8.47 8.07 2hrpM1 GLN 42 HA -0.01 0.12 0.83 -0.75 4.36 4.54 2hrpM1 GLN 42 HB2 -0.00 0.11 -0.05 -0.04 2.15 2.16 2hrpM1 GLN 42 HB3 -0.00 0.05 0.04 -0.04 2.02 2.07 2hrpM1 GLN 42 HG2 -0.00 0.18 -0.35 -0.04 2.40 2.19 2hrpM1 GLN 42 HG3 -0.00 -0.10 -0.07 -0.04 2.39 2.18 2hrpM1 GLN 42 HE21 -0.01 -0.13 0.08 -0.04 6.97 6.88 2hrpM1 GLN 42 HE22 -0.00 0.19 -0.03 -0.04 7.69 7.80 2hrpM1 PRO 43 HA -0.04 0.08 0.57 -0.51 4.44 4.54 2hrpM1 PRO 43 HB2 -0.03 0.12 0.07 -0.04 2.28 2.39 2hrpM1 PRO 43 HB3 -0.04 -0.04 0.10 -0.04 2.02 2.00 2hrpM1 PRO 43 HG2 -0.01 0.05 0.02 -0.04 2.03 2.06 2hrpM1 PRO 43 HG3 -0.02 -0.01 0.06 -0.04 2.03 2.03 2hrpM1 PRO 43 HD2 -0.01 0.09 0.23 -0.04 3.68 3.95 2hrpM1 PRO 43 HD3 -0.02 0.11 0.11 -0.04 3.65 3.81 2hrpM1 PRO 44 HA 0.06 0.34 0.60 -0.51 4.44 4.93 2hrpM1 PRO 44 HB2 -0.11 -0.05 -0.04 -0.04 2.28 2.04 2hrpM1 PRO 44 HB3 0.01 -0.02 -0.04 -0.04 2.02 1.92 2hrpM1 PRO 44 HG2 -0.29 0.00 0.01 -0.04 2.03 1.71 2hrpM1 PRO 44 HG3 -0.12 0.06 -0.01 -0.04 2.03 1.93 2hrpM1 PRO 44 HD2 -0.11 0.05 0.18 -0.04 3.68 3.77 2hrpM1 PRO 44 HD3 -0.10 0.12 0.20 -0.04 3.65 3.83 2hrpM1 LYS 45 H 0.15 0.61 0.44 -0.55 8.42 9.07 2hrpM1 LYS 45 HA 0.10 0.14 0.90 -0.75 4.32 4.71 2hrpM1 LYS 45 HB2 0.03 0.07 -0.01 -0.04 1.87 1.92 2hrpM1 LYS 45 HB3 0.02 -0.06 0.12 -0.04 1.79 1.83 2hrpM1 LYS 45 HG2 0.01 0.13 -0.30 -0.04 1.46 1.27 2hrpM1 LYS 45 HG3 0.01 -0.03 -0.01 -0.04 1.46 1.38 2hrpM1 LYS 45 HD2 -0.03 -0.01 -0.08 -0.04 1.69 1.54 2hrpM1 LYS 45 HD3 -0.08 -0.02 -0.18 -0.04 1.68 1.35 2hrpM1 LYS 45 HE2 -0.01 -0.04 -0.06 -0.04 2.99 2.83 2hrpM1 LYS 45 HE3 -0.05 0.02 -0.08 -0.04 2.99 2.85 2hrpM1 LEU 46 H 0.14 0.14 0.09 -0.55 8.37 8.19 2hrpM1 LEU 46 HA -0.24 0.09 0.55 -0.75 4.35 3.99 2hrpM1 LEU 46 HB2 0.13 0.01 0.05 -0.04 1.64 1.79 2hrpM1 LEU 46 HB3 0.04 -0.05 0.12 -0.04 1.64 1.71 2hrpM1 LEU 46 HG -0.04 0.01 -0.50 -0.04 1.64 1.08 2hrpM1 LEU 46 HD13 -0.45 0.05 -0.05 -0.04 0.93 0.44 2hrpM1 LEU 46 HD23 0.02 -0.02 -0.10 -0.04 0.89 0.75 2hrpM1 LEU 47 H -0.18 0.63 0.41 -0.55 8.37 8.69 2hrpM1 LEU 47 HA -0.10 0.13 0.73 -0.75 4.35 4.36 2hrpM1 LEU 47 HB2 0.04 0.00 -0.19 -0.04 1.64 1.46 2hrpM1 LEU 47 HB3 0.04 -0.01 -0.13 -0.04 1.64 1.50 2hrpM1 LEU 47 HG -0.43 0.01 -0.13 -0.04 1.64 1.05 2hrpM1 LEU 47 HD13 -0.37 0.01 -0.15 -0.04 0.93 0.37 2hrpM1 LEU 47 HD23 0.24 -0.01 -0.28 -0.04 0.89 0.81 2hrpM1 ILE 48 H 0.00 0.34 0.29 -0.55 8.25 8.33 2hrpM1 ILE 48 HA 0.00 0.44 0.89 -0.75 4.18 4.76 2hrpM1 ILE 48 HB 0.35 -0.13 -0.02 -0.04 1.89 2.05 2hrpM1 ILE 48 HG12 0.04 -0.10 -0.54 -0.04 1.49 0.85 2hrpM1 ILE 48 HG13 -0.02 0.05 -0.38 -0.04 1.21 0.83 2hrpM1 ILE 48 HG23 0.10 0.02 -0.40 -0.04 0.93 0.61 2hrpM1 ILE 48 HD13 0.02 0.06 -0.36 -0.04 0.88 0.55 2hrpM1 TYR 49 H -0.22 0.74 0.24 -0.55 8.29 8.50 2hrpM1 TYR 49 HA -0.09 0.08 0.81 -0.75 4.56 4.60 2hrpM1 TYR 49 HB2 -0.07 -0.04 0.03 -0.04 3.06 2.93 2hrpM1 TYR 49 HB3 -0.07 -0.00 -0.14 -0.04 2.98 2.72 2hrpM1 TYR 49 HD2 -0.06 -0.02 -0.30 -0.04 7.15 6.73 2hrpM1 TYR 49 HE2 -0.02 0.09 -0.14 -0.04 6.85 6.74 2hrpM1 ALA 50 H 0.01 0.10 0.03 -0.55 8.40 7.99 2hrpM1 ALA 50 HA -0.15 0.11 0.45 -0.75 4.34 4.00 2hrpM1 ALA 50 HB3 -0.05 0.02 0.07 -0.04 1.41 1.41 2hrpM1 ALA 51 H -0.07 0.81 -0.02 -0.55 8.40 8.57 2hrpM1 ALA 51 HA 0.07 0.02 0.25 -0.75 4.34 3.93 2hrpM1 ALA 51 HB3 0.20 0.01 -0.11 -0.04 1.41 1.47 2hrpM1 SER 52 H -0.05 0.55 -0.01 -0.55 8.46 8.41 2hrpM1 SER 52 HA 0.03 0.05 0.82 -0.75 4.49 4.63 2hrpM1 SER 52 HB2 0.03 -0.00 0.29 -0.04 3.95 4.23 2hrpM1 SER 52 HB3 0.08 0.06 -0.30 -0.04 3.93 3.72 2hrpM1 ASN 53 H -0.25 0.30 -0.00 -0.55 8.53 8.03 2hrpM1 ASN 53 HA -0.19 0.18 1.10 -0.75 4.76 5.09 2hrpM1 ASN 53 HB2 -1.44 0.18 0.13 -0.04 2.88 1.71 2hrpM1 ASN 53 HB3 -0.89 0.04 -0.01 -0.04 2.79 1.89 2hrpM1 ASN 53 HD21 -0.11 -0.04 0.01 -0.04 7.03 6.85 2hrpM1 ASN 53 HD22 -0.34 0.12 0.05 -0.04 7.74 7.54 2hrpM1 GLN 54 H -0.06 0.13 0.17 -0.55 8.47 8.16 2hrpM1 GLN 54 HA 0.00 0.14 0.56 -0.75 4.36 4.31 2hrpM1 GLN 54 HB2 0.04 -0.04 0.14 -0.04 2.15 2.25 2hrpM1 GLN 54 HB3 0.04 0.18 0.15 -0.04 2.02 2.34 2hrpM1 GLN 54 HG2 -0.00 -0.15 0.18 -0.04 2.40 2.39 2hrpM1 GLN 54 HG3 0.03 -0.04 0.10 -0.04 2.39 2.43 2hrpM1 GLN 54 HE21 0.06 0.51 0.30 -0.04 6.97 7.80 2hrpM1 GLN 54 HE22 0.02 -0.16 0.03 -0.04 7.69 7.53 2hrpM1 GLY 55 H 0.04 0.58 0.19 -0.55 8.43 8.69 2hrpM1 GLY 55 HA2 0.18 0.00 0.40 -0.51 4.01 4.09 2hrpM1 GLY 55 HA3 0.06 0.05 0.13 -0.51 4.01 3.73 2hrpM1 SER 56 H 0.04 0.04 0.07 -0.55 8.46 8.05 2hrpM1 SER 56 HA 0.04 0.09 0.17 -0.75 4.49 4.04 2hrpM1 SER 56 HB2 0.01 -0.01 0.17 -0.04 3.95 4.09 2hrpM1 SER 56 HB3 0.02 -0.02 0.12 -0.04 3.93 4.01 2hrpM1 GLY 57 H 0.01 0.07 0.03 -0.55 8.43 8.00 2hrpM1 GLY 57 HA2 0.02 0.13 0.55 -0.51 4.01 4.20 2hrpM1 GLY 57 HA3 0.02 -0.04 0.38 -0.51 4.01 3.86 2hrpM1 VAL 58 H 0.02 0.73 -0.59 -0.55 8.24 7.86 2hrpM1 VAL 58 HA -0.02 0.09 0.70 -0.75 4.13 4.14 2hrpM1 VAL 58 HB 0.01 0.24 0.07 -0.04 2.12 2.40 2hrpM1 VAL 58 HG13 -0.04 0.06 -0.04 -0.04 0.97 0.90 2hrpM1 VAL 58 HG23 -0.06 -0.06 -0.13 -0.04 0.95 0.66 2hrpM1 PRO 59 HA 0.08 0.07 0.41 -0.51 4.44 4.49 2hrpM1 PRO 59 HB2 0.12 -0.13 0.06 -0.04 2.28 2.30 2hrpM1 PRO 59 HB3 0.09 0.04 0.11 -0.04 2.02 2.23 2hrpM1 PRO 59 HG2 0.55 -0.01 0.04 -0.04 2.03 2.57 2hrpM1 PRO 59 HG3 0.23 0.04 0.05 -0.04 2.03 2.31 2hrpM1 PRO 59 HD2 0.06 0.10 0.25 -0.04 3.68 4.04 2hrpM1 PRO 59 HD3 0.08 0.19 0.13 -0.04 3.65 4.02 2hrpM1 ALA 60 H 0.06 0.09 0.18 -0.55 8.40 8.19 2hrpM1 ALA 60 HA 0.06 0.23 0.50 -0.75 4.34 4.38 2hrpM1 ALA 60 HB3 0.03 -0.01 0.13 -0.04 1.41 1.52 2hrpM1 ARG 61 H 0.05 -0.07 -0.48 -0.55 8.46 7.41 2hrpM1 ARG 61 HA -0.08 0.26 0.42 -0.75 4.34 4.20 2hrpM1 ARG 61 HB2 -0.25 -0.05 -0.13 -0.04 1.90 1.43 2hrpM1 ARG 61 HB3 -0.41 -0.06 -0.25 -0.04 1.80 1.04 2hrpM1 ARG 61 HG2 -0.12 0.09 -0.06 -0.04 1.67 1.54 2hrpM1 ARG 61 HG3 -0.06 -0.11 -0.04 -0.04 1.67 1.42 2hrpM1 ARG 61 HD2 -0.23 0.40 -0.19 -0.04 3.22 3.16 2hrpM1 ARG 61 HD3 -0.13 -0.10 -0.09 -0.04 3.22 2.86 2hrpM1 PHE 62 H 0.24 0.28 -0.27 -0.55 8.34 8.03 2hrpM1 PHE 62 HA -0.06 0.36 1.00 -0.75 4.62 5.17 2hrpM1 PHE 62 HB2 -0.01 0.11 0.03 -0.04 3.15 3.25 2hrpM1 PHE 62 HB3 -0.05 -0.04 -0.07 -0.04 3.06 2.86 2hrpM1 PHE 62 HD2 -0.04 0.03 -0.07 -0.04 7.28 7.16 2hrpM1 PHE 62 HE2 0.07 -0.01 -0.09 -0.04 7.38 7.31 2hrpM1 PHE 62 HZ 0.10 -0.00 -0.09 -0.04 7.32 7.29 2hrpM1 SER 63 H 0.02 0.49 0.33 -0.55 8.46 8.75 2hrpM1 SER 63 HA 0.05 0.13 0.62 -0.75 4.49 4.53 2hrpM1 SER 63 HB2 0.05 -0.02 0.12 -0.04 3.95 4.06 2hrpM1 SER 63 HB3 0.04 0.15 -0.25 -0.04 3.93 3.83 2hrpM1 GLY 64 H 0.05 0.20 0.22 -0.55 8.43 8.35 2hrpM1 GLY 64 HA2 -0.05 0.30 1.17 -0.51 4.01 4.92 2hrpM1 GLY 64 HA3 0.08 0.23 0.53 -0.51 4.01 4.34 2hrpM1 SER 65 H 0.20 0.48 0.39 -0.55 8.46 8.99 2hrpM1 SER 65 HA 0.14 0.11 0.63 -0.75 4.49 4.62 2hrpM1 SER 65 HB2 0.10 -0.06 0.06 -0.04 3.95 4.00 2hrpM1 SER 65 HB3 0.15 0.08 -0.17 -0.04 3.93 3.95 2hrpM1 GLY 66 H 0.09 0.12 0.15 -0.55 8.43 8.24 2hrpM1 GLY 66 HA2 -0.10 -0.03 0.44 -0.51 4.01 3.81 2hrpM1 GLY 66 HA3 -0.10 0.26 1.15 -0.51 4.01 4.82 2hrpM1 SER 67 H -0.56 0.50 0.36 -0.55 8.46 8.21 2hrpM1 SER 67 HA -0.05 0.09 0.56 -0.75 4.49 4.33 2hrpM1 SER 67 HB2 -0.09 -0.01 -0.04 -0.04 3.95 3.77 2hrpM1 SER 67 HB3 -0.01 -0.08 0.08 -0.04 3.93 3.88 2hrpM1 GLY 68 H 0.08 0.15 0.10 -0.55 8.43 8.21 2hrpM1 GLY 68 HA2 0.08 -0.04 0.44 -0.51 4.01 3.98 2hrpM1 GLY 68 HA3 -0.02 0.09 0.50 -0.51 4.01 4.07 2hrpM1 THR 69 H -0.06 0.18 0.38 -0.55 8.28 8.23 2hrpM1 THR 69 HA 0.21 0.17 0.85 -0.75 4.39 4.87 2hrpM1 THR 69 HB 0.06 0.20 0.20 -0.04 4.32 4.75 2hrpM1 THR 69 HG23 0.05 0.01 -0.52 -0.04 1.22 0.73 2hrpM1 ASP 70 H -0.34 0.51 0.27 -0.55 8.40 8.30 2hrpM1 ASP 70 HA -0.01 0.30 1.21 -0.75 4.63 5.37 2hrpM1 ASP 70 HB2 -0.18 -0.02 0.26 -0.04 2.71 2.73 2hrpM1 ASP 70 HB3 -0.08 0.03 0.01 -0.04 2.70 2.61 2hrpM1 PHE 71 H 0.22 0.60 0.38 -0.55 8.34 8.98 2hrpM1 PHE 71 HA 0.16 0.23 1.02 -0.75 4.62 5.28 2hrpM1 PHE 71 HB2 0.20 -0.04 -0.10 -0.04 3.15 3.18 2hrpM1 PHE 71 HB3 0.33 0.08 -0.02 -0.04 3.06 3.41 2hrpM1 PHE 71 HD2 0.10 0.13 -0.42 -0.04 7.28 7.05 2hrpM1 PHE 71 HE2 0.06 0.11 -0.44 -0.04 7.38 7.07 2hrpM1 PHE 71 HZ 0.08 -0.15 -0.35 -0.04 7.32 6.85 2hrpM1 SER 72 H 0.33 0.61 0.40 -0.55 8.46 9.26 2hrpM1 SER 72 HA 0.13 0.31 1.10 -0.75 4.49 5.28 2hrpM1 SER 72 HB2 0.14 -0.08 -0.06 -0.04 3.95 3.92 2hrpM1 SER 72 HB3 -0.32 0.03 -0.14 -0.04 3.93 3.46 2hrpM1 LEU 73 H -0.76 0.68 0.39 -0.55 8.37 8.14 2hrpM1 LEU 73 HA -0.88 0.29 0.98 -0.75 4.35 3.98 2hrpM1 LEU 73 HB2 -2.99 -0.04 -0.03 -0.04 1.64 -1.47 2hrpM1 LEU 73 HB3 -1.34 -0.08 0.12 -0.04 1.64 0.30 2hrpM1 LEU 73 HG -0.49 0.04 -0.31 -0.04 1.64 0.84 2hrpM1 LEU 73 HD13 -0.37 0.04 -0.05 -0.04 0.93 0.52 2hrpM1 LEU 73 HD23 -0.33 -0.02 -0.13 -0.04 0.89 0.37 2hrpM1 HIS 74 H -0.39 0.65 0.36 -0.55 8.41 8.49 2hrpM1 HIS 74 HA -0.18 0.31 1.10 -0.75 4.63 5.09 2hrpM1 HIS 74 HB2 -0.10 0.00 0.02 -0.04 3.26 3.15 2hrpM1 HIS 74 HB3 -0.10 -0.01 0.02 -0.04 3.20 3.06 2hrpM1 HIS 74 HD2 -0.07 0.02 -0.38 -0.04 6.97 6.50 2hrpM1 HIS 74 HE1 -0.04 -0.03 -0.19 -0.04 7.75 7.44 2hrpM1 ILE 75 H -0.10 0.53 0.27 -0.55 8.25 8.40 2hrpM1 ILE 75 HA -0.35 0.46 0.85 -0.75 4.18 4.39 2hrpM1 ILE 75 HB -0.25 -0.12 0.09 -0.04 1.89 1.57 2hrpM1 ILE 75 HG12 -0.30 0.08 -0.21 -0.04 1.49 1.02 2hrpM1 ILE 75 HG13 -0.30 -0.07 -0.55 -0.04 1.21 0.26 2hrpM1 ILE 75 HG23 -0.73 0.01 -0.21 -0.04 0.93 -0.04 2hrpM1 ILE 75 HD13 -0.40 -0.01 -0.15 -0.04 0.88 0.27 2hrpM1 HIS 76 H -0.13 0.69 0.13 -0.55 8.41 8.56 2hrpM1 HIS 76 HA -0.12 0.06 0.45 -0.75 4.63 4.26 2hrpM1 HIS 76 HB2 -0.08 -0.06 -0.02 -0.04 3.26 3.06 2hrpM1 HIS 76 HB3 -0.08 0.01 -0.01 -0.04 3.20 3.08 2hrpM1 HIS 76 HD2 -0.06 -0.01 -0.22 -0.04 6.97 6.64 2hrpM1 HIS 76 HE1 -0.04 0.01 0.03 -0.04 7.75 7.70 2hrpM1 PRO 77 HA -0.57 0.24 0.19 -0.51 4.44 3.78 2hrpM1 PRO 77 HB2 -0.24 -0.01 -0.04 -0.04 2.28 1.95 2hrpM1 PRO 77 HB3 -0.39 0.27 0.19 -0.04 2.02 2.05 2hrpM1 PRO 77 HG2 -0.24 -0.02 0.07 -0.04 2.03 1.80 2hrpM1 PRO 77 HG3 -0.64 0.05 0.03 -0.04 2.03 1.42 2hrpM1 PRO 77 HD2 -0.22 -0.01 0.20 -0.04 3.68 3.61 2hrpM1 PRO 77 HD3 -0.24 0.15 0.40 -0.04 3.65 3.92 2hrpM1 MET 78 H -0.13 0.72 0.01 -0.55 8.47 8.53 2hrpM1 MET 78 HA -0.14 0.05 0.36 -0.75 4.52 4.03 2hrpM1 MET 78 HB2 -0.07 0.10 -0.14 -0.04 2.15 2.00 2hrpM1 MET 78 HB3 -0.06 -0.07 -0.02 -0.04 2.03 1.84 2hrpM1 MET 78 HG2 -0.03 0.07 -0.36 -0.04 2.63 2.27 2hrpM1 MET 78 HG3 -0.04 -0.07 -0.40 -0.04 2.56 2.01 2hrpM1 MET 78 HE3 0.03 0.02 -0.37 -0.04 2.10 1.73 2hrpM1 GLU 79 H -0.07 0.22 0.12 -0.55 8.60 8.33 2hrpM1 GLU 79 HA -0.05 0.16 0.81 -0.75 4.29 4.45 2hrpM1 GLU 79 HB2 -0.03 0.05 -0.01 -0.04 2.09 2.06 2hrpM1 GLU 79 HB3 -0.01 -0.09 -0.00 -0.04 1.99 1.84 2hrpM1 GLU 79 HG2 -0.06 0.02 0.00 -0.04 2.34 2.26 2hrpM1 GLU 79 HG3 -0.09 0.17 -0.29 -0.04 2.34 2.09 2hrpM1 GLU 80 H -0.02 0.19 0.10 -0.55 8.60 8.32 2hrpM1 GLU 80 HA -0.02 0.06 0.28 -0.75 4.29 3.86 2hrpM1 ASP 81 H 0.02 0.06 -0.24 -0.55 8.40 7.69 2hrpM1 ASP 81 HA 0.03 0.18 0.57 -0.75 4.63 4.65 2hrpM1 ASP 82 H 0.06 0.62 -0.37 -0.55 8.40 8.16 2hrpM1 ASP 82 HA 0.25 0.12 0.51 -0.75 4.63 4.75 2hrpM1 ASP 82 HB2 0.04 0.09 0.04 -0.04 2.71 2.84 2hrpM1 ASP 82 HB3 0.14 -0.01 0.03 -0.04 2.70 2.82 2hrpM1 SER 83 H 0.07 0.16 -0.40 -0.55 8.46 7.74 2hrpM1 SER 83 HA 0.12 0.09 0.28 -0.75 4.49 4.23 2hrpM1 SER 83 HB2 0.03 -0.07 0.08 -0.04 3.95 3.95 2hrpM1 SER 83 HB3 0.02 0.03 0.15 -0.04 3.93 4.08 2hrpM1 ALA 84 H 0.18 0.38 0.41 -0.55 8.40 8.82 2hrpM1 ALA 84 HA -0.00 -0.01 0.48 -0.75 4.34 4.05 2hrpM1 ALA 84 HB3 -0.19 0.07 -0.18 -0.04 1.41 1.07 2hrpM1 MET 85 H -0.12 0.57 0.32 -0.55 8.47 8.69 2hrpM1 MET 85 HA -0.07 0.24 0.87 -0.75 4.52 4.81 2hrpM1 MET 85 HB2 -0.02 0.15 0.23 -0.04 2.15 2.46 2hrpM1 MET 85 HB3 -0.27 -0.02 -0.04 -0.04 2.03 1.65 2hrpM1 MET 85 HG2 -0.01 -0.06 -0.00 -0.04 2.63 2.52 2hrpM1 MET 85 HG3 0.03 -0.02 -0.00 -0.04 2.56 2.53 2hrpM1 MET 85 HE3 0.03 0.02 -0.02 -0.04 2.10 2.08 2hrpM1 TYR 86 H -0.01 0.41 0.38 -0.55 8.29 8.51 2hrpM1 TYR 86 HA 0.14 0.29 1.05 -0.75 4.56 5.29 2hrpM1 TYR 86 HB2 0.08 -0.03 0.09 -0.04 3.06 3.16 2hrpM1 TYR 86 HB3 0.25 -0.00 0.01 -0.04 2.98 3.20 2hrpM1 TYR 86 HD2 0.09 0.07 -0.07 -0.04 7.15 7.20 2hrpM1 TYR 86 HE2 0.11 0.02 -0.06 -0.04 6.85 6.88 2hrpM1 PHE 87 H 0.54 0.44 0.20 -0.55 8.34 8.98 2hrpM1 PHE 87 HA 0.26 0.08 0.92 -0.75 4.62 5.12 2hrpM1 PHE 87 HB2 0.29 -0.08 -0.01 -0.04 3.15 3.32 2hrpM1 PHE 87 HB3 0.26 0.15 0.01 -0.04 3.06 3.44 2hrpM1 PHE 87 HD2 0.10 0.14 -0.18 -0.04 7.28 7.29 2hrpM1 PHE 87 HE2 -0.01 0.08 -0.19 -0.04 7.38 7.23 2hrpM1 PHE 87 HZ -0.02 -0.00 -0.08 -0.04 7.32 7.17 2hrpM1 CYS 88 H 0.05 0.04 0.16 -0.55 8.50 8.20 2hrpM1 CYS 88 HA -0.97 0.30 0.89 -0.75 4.58 4.05 2hrpM1 CYS 88 HB2 -1.06 0.03 0.02 -0.04 2.97 1.92 2hrpM1 CYS 88 HB3 -2.71 0.04 -0.06 -0.04 2.97 0.19 2hrpM1 GLN 89 H -0.38 0.54 0.34 -0.55 8.47 8.42 2hrpM1 GLN 89 HA -0.19 0.23 0.71 -0.75 4.36 4.36 2hrpM1 GLN 89 HB2 -0.16 0.03 -0.10 -0.04 2.15 1.88 2hrpM1 GLN 89 HB3 0.17 -0.08 -0.11 -0.04 2.02 1.96 2hrpM1 GLN 89 HG2 -0.20 0.12 -0.21 -0.04 2.40 2.06 2hrpM1 GLN 89 HG3 -1.14 -0.02 -0.18 -0.04 2.39 1.01 2hrpM1 GLN 89 HE21 -0.07 -0.03 -0.13 -0.04 6.97 6.70 2hrpM1 GLN 89 HE22 -0.76 0.01 -0.16 -0.04 7.69 6.75 2hrpM1 GLN 90 H -0.17 0.52 0.34 -0.55 8.47 8.61 2hrpM1 GLN 90 HA -0.12 0.35 1.16 -0.75 4.36 4.99 2hrpM1 GLN 90 HB2 -0.08 -0.05 0.15 -0.04 2.15 2.12 2hrpM1 GLN 90 HB3 -0.11 -0.02 0.01 -0.04 2.02 1.86 2hrpM1 GLN 90 HG2 -0.08 0.04 0.02 -0.04 2.40 2.34 2hrpM1 GLN 90 HG3 -0.11 -0.01 0.27 -0.04 2.39 2.50 2hrpM1 GLN 90 HE21 -0.24 0.50 0.16 -0.04 6.97 7.35 2hrpM1 GLN 90 HE22 -0.12 -0.06 0.19 -0.04 7.69 7.67 2hrpM1 SER 91 H 0.05 0.49 0.24 -0.55 8.46 8.70 2hrpM1 SER 91 HA -0.26 0.25 0.97 -0.75 4.49 4.69 2hrpM1 SER 91 HB2 0.37 0.01 0.14 -0.04 3.95 4.43 2hrpM1 SER 91 HB3 0.33 0.00 -0.10 -0.04 3.93 4.11 2hrpM1 LYS 92 H -0.15 0.04 -0.03 -0.55 8.42 7.73 2hrpM1 LYS 92 HA -0.49 0.18 0.84 -0.75 4.32 4.09 2hrpM1 LYS 92 HB2 -0.31 0.03 0.08 -0.04 1.87 1.63 2hrpM1 LYS 92 HB3 -0.17 -0.05 0.14 -0.04 1.79 1.67 2hrpM1 LYS 92 HG2 -0.26 0.01 -0.28 -0.04 1.46 0.89 2hrpM1 LYS 92 HG3 -0.56 -0.02 -0.02 -0.04 1.46 0.82 2hrpM1 LYS 92 HD2 -0.21 -0.04 -0.36 -0.04 1.69 1.04 2hrpM1 LYS 92 HD3 -0.09 -0.13 -0.22 -0.04 1.68 1.20 2hrpM1 LYS 92 HE2 -0.08 -0.07 -0.07 -0.04 2.99 2.72 2hrpM1 LYS 92 HE3 0.03 0.16 -0.06 -0.04 2.99 3.07 2hrpM1 GLU 93 H -0.29 0.04 0.03 -0.55 8.60 7.84 2hrpM1 GLU 93 HA -0.32 0.18 0.85 -0.75 4.29 4.26 2hrpM1 GLU 93 HB2 -0.18 -0.00 -0.04 -0.04 2.09 1.83 2hrpM1 GLU 93 HB3 -0.17 0.11 -0.02 -0.04 1.99 1.86 2hrpM1 GLU 93 HG2 -0.16 -0.12 -0.14 -0.04 2.34 1.87 2hrpM1 GLU 93 HG3 -0.11 0.00 -0.08 -0.04 2.34 2.12 2hrpM1 VAL 94 H -0.29 0.19 0.11 -0.55 8.24 7.70 2hrpM1 VAL 94 HA -0.46 0.02 0.46 -0.75 4.13 3.39 2hrpM1 VAL 94 HB -0.18 0.00 0.07 -0.04 2.12 1.97 2hrpM1 VAL 94 HG13 0.02 -0.00 -0.07 -0.04 0.97 0.87 2hrpM1 VAL 94 HG23 -0.60 0.01 -0.10 -0.04 0.95 0.22 2hrpM1 PRO 95 HA 0.08 -0.04 0.36 -0.51 4.44 4.33 2hrpM1 PRO 95 HB2 0.10 0.19 0.04 -0.04 2.28 2.56 2hrpM1 PRO 95 HB3 0.07 -0.02 0.11 -0.04 2.02 2.14 2hrpM1 PRO 95 HG2 0.00 0.01 -0.05 -0.04 2.03 1.95 2hrpM1 PRO 95 HG3 0.02 0.03 0.05 -0.04 2.03 2.09 2hrpM1 PRO 95 HD2 -0.05 0.08 0.06 -0.04 3.68 3.74 2hrpM1 PRO 95 HD3 -0.02 0.08 0.31 -0.04 3.65 3.98 2hrpM1 TRP 96 H 0.52 0.03 0.19 -0.55 7.97 8.16 2hrpM1 TRP 96 HA -0.13 0.25 0.72 -0.75 4.62 4.71 2hrpM1 TRP 96 HB2 -0.09 -0.08 0.15 -0.04 3.23 3.17 2hrpM1 TRP 96 HB3 -0.31 0.02 -0.00 -0.04 3.23 2.90 2hrpM1 TRP 96 HD1 -0.12 0.03 -0.01 -0.04 7.22 7.07 2hrpM1 TRP 96 HE1 -0.01 -0.01 -0.00 -0.04 10.20 10.14 2hrpM1 TRP 96 HE3 -0.03 -0.08 0.10 -0.04 7.59 7.53 2hrpM1 TRP 96 HZ2 -0.01 0.01 -0.04 -0.04 7.44 7.35 2hrpM1 TRP 96 HZ3 -0.02 -0.02 -0.00 -0.04 7.13 7.04 2hrpM1 TRP 96 HH2 -0.02 -0.01 -0.03 -0.04 7.19 7.08 2hrpM1 THR 97 H -0.12 0.29 0.34 -0.55 8.28 8.24 2hrpM1 THR 97 HA 0.04 0.20 0.97 -0.75 4.39 4.84 2hrpM1 THR 97 HB 0.02 -0.00 0.04 -0.04 4.32 4.33 2hrpM1 THR 97 HG23 0.03 0.01 -0.19 -0.04 1.22 1.03 2hrpM1 PHE 98 H 0.28 0.21 0.20 -0.55 8.34 8.48 2hrpM1 PHE 98 HA 0.02 0.20 1.12 -0.75 4.62 5.21 2hrpM1 PHE 98 HB2 -0.05 -0.00 0.05 -0.04 3.15 3.10 2hrpM1 PHE 98 HB3 -0.00 0.11 0.14 -0.04 3.06 3.26 2hrpM1 PHE 98 HD2 -0.09 0.02 -0.08 -0.04 7.28 7.10 2hrpM1 PHE 98 HE2 -0.31 0.00 -0.13 -0.04 7.38 6.90 2hrpM1 PHE 98 HZ -0.25 -0.02 -0.11 -0.04 7.32 6.90 2hrpM1 GLY 99 H 0.19 0.46 0.24 -0.55 8.43 8.77 2hrpM1 GLY 99 HA2 0.12 0.30 0.70 -0.51 4.01 4.62 2hrpM1 GLY 99 HA3 0.12 -0.09 0.29 -0.51 4.01 3.83 2hrpM1 GLY 100 H 0.13 0.09 0.25 -0.55 8.43 8.37 2hrpM1 GLY 100 HA2 0.20 0.06 0.32 -0.51 4.01 4.07 2hrpM1 GLY 100 HA3 0.12 0.02 0.43 -0.51 4.01 4.07 2hrpM1 GLY 101 H 0.16 -0.14 -0.40 -0.55 8.43 7.51 2hrpM1 GLY 101 HA2 -0.35 0.29 0.47 -0.51 4.01 3.91 2hrpM1 GLY 101 HA3 -0.57 0.09 0.64 -0.51 4.01 3.66 2hrpM1 THR 102 H -0.14 0.27 0.31 -0.55 8.28 8.17 2hrpM1 THR 102 HA 0.01 0.25 0.49 -0.75 4.39 4.38 2hrpM1 THR 102 HB 0.06 0.53 0.20 -0.04 4.32 5.07 2hrpM1 THR 102 HG23 0.14 -0.07 -0.21 -0.04 1.22 1.04 2hrpM1 LYS 103 H 0.03 0.58 0.14 -0.55 8.42 8.62 2hrpM1 LYS 103 HA 0.05 0.17 0.88 -0.75 4.32 4.67 2hrpM1 LYS 103 HB2 0.02 0.01 0.13 -0.04 1.87 1.99 2hrpM1 LYS 103 HB3 0.04 -0.06 0.25 -0.04 1.79 1.97 2hrpM1 LYS 103 HG2 0.06 -0.06 -0.00 -0.04 1.46 1.42 2hrpM1 LYS 103 HG3 0.09 0.01 -0.17 -0.04 1.46 1.35 2hrpM1 LYS 103 HD2 0.03 0.09 -0.12 -0.04 1.69 1.66 2hrpM1 LYS 103 HD3 0.04 -0.04 -0.03 -0.04 1.68 1.60 2hrpM1 LYS 103 HE2 0.09 -0.11 -0.04 -0.04 2.99 2.89 2hrpM1 LYS 103 HE3 0.07 0.18 -0.11 -0.04 2.99 3.09 2hrpM1 LEU 104 H 0.19 0.75 0.33 -0.55 8.37 9.10 2hrpM1 LEU 104 HA 0.09 0.17 0.86 -0.75 4.35 4.70 2hrpM1 LEU 104 HB2 0.09 -0.05 0.01 -0.04 1.64 1.64 2hrpM1 LEU 104 HB3 0.38 0.11 0.23 -0.04 1.64 2.32 2hrpM1 LEU 104 HG 0.11 -0.05 -0.35 -0.04 1.64 1.30 2hrpM1 LEU 104 HD13 0.01 0.01 -0.08 -0.04 0.93 0.83 2hrpM1 LEU 104 HD23 -0.09 0.00 -0.12 -0.04 0.89 0.64 2hrpM1 GLU 105 H 0.09 0.70 0.44 -0.55 8.60 9.28 2hrpM1 GLU 105 HA 0.10 0.14 0.86 -0.75 4.29 4.63 2hrpM1 GLU 105 HB2 0.22 0.03 0.09 -0.04 2.09 2.39 2hrpM1 GLU 105 HB3 0.19 -0.01 -0.10 -0.04 1.99 2.04 2hrpM1 GLU 105 HG2 0.13 0.20 -0.03 -0.04 2.34 2.61 2hrpM1 GLU 105 HG3 0.18 -0.10 -0.24 -0.04 2.34 2.14 2hrpM1 ILE 106 H 0.03 0.17 0.14 -0.55 8.25 8.03 2hrpM1 ILE 106 HA -0.00 0.24 0.67 -0.75 4.18 4.34 2hrpM1 ILE 106 HB -0.09 0.01 0.02 -0.04 1.89 1.79 2hrpM1 ILE 106 HG12 -0.00 -0.08 0.00 -0.04 1.49 1.37 2hrpM1 ILE 106 HG13 -0.04 0.07 0.01 -0.04 1.21 1.21 2hrpM1 ILE 106 HG23 -0.07 0.01 -0.18 -0.04 0.93 0.66 2hrpM1 ILE 106 HD13 -0.01 0.00 -0.28 -0.04 0.88 0.55 2hrpM1 LYS 107 H -0.01 0.62 -0.14 -0.55 8.42 8.33 2hrpM1 LYS 107 HA -0.01 0.12 0.68 -0.75 4.32 4.35 2hrpM1 LYS 107 HB2 0.07 -0.07 -0.46 -0.04 1.87 1.37 2hrpM1 LYS 107 HB3 0.02 -0.08 -0.13 -0.04 1.79 1.55 2hrpM1 LYS 107 HG2 0.13 0.19 -0.13 -0.04 1.46 1.61 2hrpM1 LYS 107 HG3 0.21 -0.04 -0.06 -0.04 1.46 1.53 2hrpM1 LYS 107 HD2 0.05 -0.03 -0.07 -0.04 1.69 1.60 2hrpM1 LYS 107 HD3 0.10 -0.01 -0.05 -0.04 1.68 1.68 2hrpM1 LYS 107 HE2 0.05 -0.08 -0.11 -0.04 2.99 2.80 2hrpM1 LYS 107 HE3 0.04 -0.03 0.01 -0.04 2.99 2.97 2hrpM1 ARG 108 H -0.88 0.22 0.03 -0.55 8.46 7.28 2hrpM1 ARG 108 HA -0.15 0.09 0.73 -0.75 4.34 4.26 2hrpM1 ARG 108 HB2 -0.17 -0.08 0.12 -0.04 1.90 1.73 2hrpM1 ARG 108 HB3 -0.25 -0.04 -0.05 -0.04 1.80 1.42 2hrpM1 ARG 108 HG2 -0.82 0.09 0.02 -0.04 1.67 0.93 2hrpM1 ARG 108 HG3 -0.88 0.02 -0.18 -0.04 1.67 0.58 2hrpM1 ARG 108 HD2 -0.16 0.14 -0.06 -0.04 3.22 3.10 2hrpM1 ARG 108 HD3 -0.09 -0.05 -0.25 -0.04 3.22 2.79 2hrpM1 ALA 109 H -0.06 0.08 0.08 -0.55 8.40 7.95 2hrpM1 ALA 109 HA 0.06 0.04 0.46 -0.75 4.34 4.14 2hrpM1 ALA 109 HB3 0.03 0.01 0.07 -0.04 1.41 1.48 2hrpM1 ASP 110 H 0.13 0.03 0.13 -0.55 8.40 8.15 2hrpM1 ASP 110 HA 0.36 0.18 0.36 -0.75 4.63 4.78 2hrpM1 ASP 110 HB2 0.13 -0.06 0.11 -0.04 2.71 2.84 2hrpM1 ASP 110 HB3 0.19 0.02 0.00 -0.04 2.70 2.88 2hrpM1 ALA 111 H 0.34 0.79 0.41 -0.55 8.40 9.39 2hrpM1 ALA 111 HA 0.13 0.07 0.84 -0.75 4.34 4.63 2hrpM1 ALA 111 HB3 0.13 0.01 -0.01 -0.04 1.41 1.51 2hrpM1 ALA 112 H 0.09 0.11 0.14 -0.55 8.40 8.19 2hrpM1 ALA 112 HA -0.03 0.05 0.67 -0.75 4.34 4.27 2hrpM1 ALA 112 HB3 0.05 0.01 0.06 -0.04 1.41 1.49 2hrpM1 PRO 113 HA 0.12 0.41 0.45 -0.51 4.44 4.90 2hrpM1 PRO 113 HB2 -0.03 -0.10 -0.33 -0.04 2.28 1.77 2hrpM1 PRO 113 HB3 -0.08 0.03 -0.26 -0.04 2.02 1.66 2hrpM1 PRO 113 HG2 -0.12 -0.01 -0.02 -0.04 2.03 1.84 2hrpM1 PRO 113 HG3 -0.35 0.02 -0.10 -0.04 2.03 1.56 2hrpM1 PRO 113 HD2 -0.11 0.04 0.16 -0.04 3.68 3.73 2hrpM1 PRO 113 HD3 -0.46 0.16 0.10 -0.04 3.65 3.40 2hrpM1 THR 114 H 0.08 0.60 0.20 -0.55 8.28 8.61 2hrpM1 THR 114 HA 0.02 0.11 0.66 -0.75 4.39 4.43 2hrpM1 THR 114 HB 0.05 -0.07 0.20 -0.04 4.32 4.45 2hrpM1 THR 114 HG23 0.04 -0.01 -0.08 -0.04 1.22 1.13 2hrpM1 VAL 115 H 0.00 0.22 0.13 -0.55 8.24 8.04 2hrpM1 VAL 115 HA 0.04 0.55 0.98 -0.75 4.13 4.95 2hrpM1 VAL 115 HB -0.04 -0.03 0.00 -0.04 2.12 2.02 2hrpM1 VAL 115 HG13 -0.09 -0.00 -0.20 -0.04 0.97 0.64 2hrpM1 VAL 115 HG23 -0.07 0.03 -0.14 -0.04 0.95 0.73 2hrpM1 SER 116 H 0.10 0.53 0.40 -0.55 8.46 8.94 2hrpM1 SER 116 HA -0.08 0.13 0.80 -0.75 4.49 4.59 2hrpM1 SER 116 HB2 0.41 -0.09 0.06 -0.04 3.95 4.29 2hrpM1 SER 116 HB3 -0.16 0.04 0.03 -0.04 3.93 3.79 2hrpM1 ILE 117 H -0.27 0.23 0.18 -0.55 8.25 7.84 2hrpM1 ILE 117 HA 0.03 0.31 1.08 -0.75 4.18 4.85 2hrpM1 ILE 117 HB 0.00 -0.03 -0.16 -0.04 1.89 1.67 2hrpM1 ILE 117 HG12 0.45 0.00 -0.33 -0.04 1.49 1.57 2hrpM1 ILE 117 HG13 0.35 0.04 -0.12 -0.04 1.21 1.44 2hrpM1 ILE 117 HG23 0.06 -0.01 -0.15 -0.04 0.93 0.78 2hrpM1 ILE 117 HD13 0.33 -0.04 -0.27 -0.04 0.88 0.86 2hrpM1 PHE 118 H 0.23 0.66 0.33 -0.55 8.34 9.02 2hrpM1 PHE 118 HA -0.13 0.22 0.97 -0.75 4.62 4.93 2hrpM1 PHE 118 HB2 -0.10 -0.11 0.12 -0.04 3.15 3.03 2hrpM1 PHE 118 HB3 -0.09 0.07 0.08 -0.04 3.06 3.08 2hrpM1 PHE 118 HD2 -0.09 0.08 -0.11 -0.04 7.28 7.13 2hrpM1 PHE 118 HE2 0.20 -0.03 -0.11 -0.04 7.38 7.40 2hrpM1 PHE 118 HZ 0.20 -0.01 -0.08 -0.04 7.32 7.39 2hrpM1 PRO 119 HA -0.41 0.09 0.54 -0.51 4.44 4.15 2hrpM1 PRO 119 HB2 -0.28 0.08 0.01 -0.04 2.28 2.05 2hrpM1 PRO 119 HB3 -0.63 0.02 0.09 -0.04 2.02 1.47 2hrpM1 PRO 119 HG2 -0.43 0.02 0.07 -0.04 2.03 1.65 2hrpM1 PRO 119 HG3 -1.51 0.02 -0.03 -0.04 2.03 0.48 2hrpM1 PRO 119 HD2 -0.14 0.08 0.20 -0.04 3.68 3.79 2hrpM1 PRO 119 HD3 -0.30 0.23 0.22 -0.04 3.65 3.75 2hrpM1 PRO 120 HA -0.19 0.09 0.58 -0.51 4.44 4.41 2hrpM1 PRO 120 HB2 -0.42 0.01 -0.01 -0.04 2.28 1.83 2hrpM1 PRO 120 HB3 -0.34 -0.08 0.17 -0.04 2.02 1.73 2hrpM1 PRO 120 HG2 -1.49 0.02 -0.03 -0.04 2.03 0.48 2hrpM1 PRO 120 HG3 -0.48 0.14 -0.19 -0.04 2.03 1.46 2hrpM1 PRO 120 HD2 -0.36 0.08 0.15 -0.04 3.68 3.50 2hrpM1 PRO 120 HD3 -0.19 0.11 0.13 -0.04 3.65 3.66 2hrpM1 SER 121 H -0.11 0.04 0.23 -0.55 8.46 8.08 2hrpM1 SER 121 HA -0.06 0.22 0.60 -0.75 4.49 4.49 2hrpM1 SER 121 HB2 -0.04 0.02 0.18 -0.04 3.95 4.07 2hrpM1 SER 121 HB3 -0.06 0.16 0.15 -0.04 3.93 4.14 2hrpM1 SER 122 H -0.03 0.23 0.20 -0.55 8.46 8.31 2hrpM1 SER 122 HA -0.02 0.14 0.46 -0.75 4.49 4.31 2hrpM1 SER 122 HB2 -0.01 0.01 0.00 -0.04 3.95 3.91 2hrpM1 SER 122 HB3 -0.01 0.07 0.10 -0.04 3.93 4.05 2hrpM1 GLU 123 H -0.03 0.03 -0.21 -0.55 8.60 7.84 2hrpM1 GLU 123 HA -0.02 0.13 0.40 -0.75 4.29 4.05 2hrpM1 GLU 123 HB2 -0.02 0.03 0.08 -0.04 2.09 2.14 2hrpM1 GLU 123 HB3 -0.03 -0.06 0.07 -0.04 1.99 1.92 2hrpM1 GLU 123 HG2 -0.03 0.02 -0.18 -0.04 2.34 2.12 2hrpM1 GLU 123 HG3 -0.02 0.03 0.02 -0.04 2.34 2.33 2hrpM1 GLN 124 H -0.06 0.05 -0.18 -0.55 8.47 7.73 2hrpM1 GLN 124 HA -0.04 0.11 0.49 -0.75 4.36 4.16 2hrpM1 GLN 124 HB2 -0.07 -0.03 0.09 -0.04 2.15 2.10 2hrpM1 GLN 124 HB3 -0.10 0.05 0.15 -0.04 2.02 2.08 2hrpM1 GLN 124 HG2 -0.08 0.14 -0.35 -0.04 2.40 2.07 2hrpM1 GLN 124 HG3 -0.06 0.02 -0.04 -0.04 2.39 2.27 2hrpM1 GLN 124 HE21 -0.10 0.02 -0.11 -0.04 6.97 6.74 2hrpM1 GLN 124 HE22 -0.07 0.04 -0.17 -0.04 7.69 7.45 2hrpM1 LEU 125 H -0.07 0.48 -0.12 -0.55 8.37 8.12 2hrpM1 LEU 125 HA -0.05 0.17 0.37 -0.75 4.35 4.08 2hrpM1 LEU 125 HB2 -0.03 0.04 0.12 -0.04 1.64 1.73 2hrpM1 LEU 125 HB3 -0.01 -0.03 0.02 -0.04 1.64 1.58 2hrpM1 LEU 125 HG -0.14 0.07 -0.02 -0.04 1.64 1.51 2hrpM1 LEU 125 HD13 -0.02 -0.02 -0.12 -0.04 0.93 0.73 2hrpM1 LEU 125 HD23 -0.18 0.03 -0.03 -0.04 0.89 0.66 2hrpM1 THR 126 H -0.02 0.41 -0.39 -0.55 8.28 7.73 2hrpM1 THR 126 HA -0.01 0.01 0.39 -0.75 4.39 4.02 2hrpM1 THR 126 HB -0.02 0.15 0.20 -0.04 4.32 4.61 2hrpM1 THR 126 HG23 -0.01 -0.02 -0.11 -0.04 1.22 1.04 2hrpM1 SER 127 H -0.02 0.29 -0.37 -0.55 8.46 7.81 2hrpM1 SER 127 HA -0.01 0.08 0.57 -0.75 4.49 4.38 2hrpM1 SER 127 HB2 -0.02 -0.07 0.17 -0.04 3.95 3.99 2hrpM1 SER 127 HB3 -0.02 -0.04 0.10 -0.04 3.93 3.94 2hrpM1 GLY 128 H -0.02 0.57 -0.53 -0.55 8.43 7.91 2hrpM1 GLY 128 HA2 -0.00 0.00 0.34 -0.51 4.01 3.84 2hrpM1 GLY 128 HA3 -0.01 0.08 0.60 -0.51 4.01 4.17 2hrpM1 GLY 129 H -0.04 0.46 -0.10 -0.55 8.43 8.20 2hrpM1 GLY 129 HA2 -0.04 0.10 1.02 -0.51 4.01 4.59 2hrpM1 GLY 129 HA3 -0.05 0.02 0.19 -0.51 4.01 3.66 2hrpM1 ALA 130 H -0.09 0.66 0.14 -0.55 8.40 8.57 2hrpM1 ALA 130 HA -0.23 0.03 0.67 -0.75 4.34 4.06 2hrpM1 ALA 130 HB3 -0.35 0.03 -0.19 -0.04 1.41 0.85 2hrpM1 SER 131 H -0.18 0.08 0.12 -0.55 8.46 7.93 2hrpM1 SER 131 HA -0.18 0.36 1.10 -0.75 4.49 5.01 2hrpM1 SER 131 HB2 -0.11 -0.06 -0.01 -0.04 3.95 3.73 2hrpM1 SER 131 HB3 -0.12 0.04 -0.11 -0.04 3.93 3.70 2hrpM1 VAL 132 H -0.27 0.66 0.33 -0.55 8.24 8.40 2hrpM1 VAL 132 HA -0.01 0.29 0.86 -0.75 4.13 4.52 2hrpM1 VAL 132 HB -0.49 -0.08 0.15 -0.04 2.12 1.65 2hrpM1 VAL 132 HG13 0.58 0.01 -0.12 -0.04 0.97 1.40 2hrpM1 VAL 132 HG23 -0.13 0.01 -0.17 -0.04 0.95 0.62 2hrpM1 VAL 133 H 0.13 0.46 0.24 -0.55 8.24 8.52 2hrpM1 VAL 133 HA 0.17 0.34 1.24 -0.75 4.13 5.13 2hrpM1 VAL 133 HB -0.14 -0.02 0.04 -0.04 2.12 1.95 2hrpM1 VAL 133 HG13 -0.55 -0.01 -0.20 -0.04 0.97 0.17 2hrpM1 VAL 133 HG23 -0.10 -0.01 -0.21 -0.04 0.95 0.59 2hrpM1 CYS 134 H 0.16 0.63 0.38 -0.55 8.50 9.12 2hrpM1 CYS 134 HA 0.04 0.40 1.17 -0.75 4.58 5.44 2hrpM1 CYS 134 HB2 -0.18 -0.03 0.08 -0.04 2.97 2.80 2hrpM1 CYS 134 HB3 -0.17 0.00 -0.10 -0.04 2.97 2.66 2hrpM1 PHE 135 H 0.17 0.55 0.33 -0.55 8.34 8.83 2hrpM1 PHE 135 HA 0.03 0.20 0.98 -0.75 4.62 5.09 2hrpM1 PHE 135 HB2 0.18 -0.02 0.18 -0.04 3.15 3.45 2hrpM1 PHE 135 HB3 0.08 0.00 0.02 -0.04 3.06 3.12 2hrpM1 PHE 135 HD2 0.18 0.05 -0.02 -0.04 7.28 7.45 2hrpM1 PHE 135 HE2 -0.27 -0.00 -0.08 -0.04 7.38 6.99 2hrpM1 PHE 135 HZ -0.14 -0.01 -0.08 -0.04 7.32 7.05 2hrpM1 LEU 136 H 0.15 0.71 0.22 -0.55 8.37 8.90 2hrpM1 LEU 136 HA 0.03 0.12 0.49 -0.75 4.35 4.23 2hrpM1 LEU 136 HB2 -0.05 -0.07 0.16 -0.04 1.64 1.65 2hrpM1 LEU 136 HB3 -0.22 0.02 -0.09 -0.04 1.64 1.32 2hrpM1 LEU 136 HG -0.26 -0.01 -0.19 -0.04 1.64 1.14 2hrpM1 LEU 136 HD13 -0.17 0.01 -0.21 -0.04 0.93 0.52 2hrpM1 LEU 136 HD23 -0.12 -0.04 -0.49 -0.04 0.89 0.20 2hrpM1 ASN 137 H 0.12 0.68 0.04 -0.55 8.53 8.82 2hrpM1 ASN 137 HA 0.14 0.10 1.12 -0.75 4.76 5.37 2hrpM1 ASN 137 HB2 0.05 0.11 0.13 -0.04 2.88 3.13 2hrpM1 ASN 137 HB3 0.02 -0.00 0.07 -0.04 2.79 2.84 2hrpM1 ASN 137 HD21 -0.28 -0.02 -0.05 -0.04 7.03 6.64 2hrpM1 ASN 137 HD22 -0.06 0.03 -0.02 -0.04 7.74 7.65 2hrpM1 ASN 138 H 0.00 0.09 0.26 -0.55 8.53 8.34 2hrpM1 ASN 138 HA -0.06 0.04 0.40 -0.75 4.76 4.38 2hrpM1 ASN 138 HB2 0.04 0.09 -0.10 -0.04 2.88 2.87 2hrpM1 ASN 138 HB3 0.01 0.02 0.08 -0.04 2.79 2.85 2hrpM1 ASN 138 HD21 -0.03 -0.03 -0.03 -0.04 7.03 6.89 2hrpM1 ASN 138 HD22 -0.03 -0.01 -0.03 -0.04 7.74 7.63 2hrpM1 PHE 139 H -0.47 0.42 0.18 -0.55 8.34 7.92 2hrpM1 PHE 139 HA 0.02 0.27 0.80 -0.75 4.62 4.95 2hrpM1 PHE 139 HB2 -0.43 0.16 -0.01 -0.04 3.15 2.83 2hrpM1 PHE 139 HB3 -0.14 -0.04 -0.50 -0.04 3.06 2.34 2hrpM1 PHE 139 HD2 -0.01 0.13 -0.45 -0.04 7.28 6.90 2hrpM1 PHE 139 HE2 0.09 0.17 -0.10 -0.04 7.38 7.50 2hrpM1 PHE 139 HZ 0.02 -0.01 -0.22 -0.04 7.32 7.06 2hrpM1 TYR 140 H 0.31 0.62 0.29 -0.55 8.29 8.96 2hrpM1 TYR 140 HA 0.35 -0.04 0.30 -0.75 4.56 4.41 2hrpM1 TYR 140 HB2 0.11 0.05 -0.18 -0.04 3.06 3.00 2hrpM1 TYR 140 HB3 0.15 0.13 0.04 -0.04 2.98 3.26 2hrpM1 TYR 140 HD2 0.18 0.06 -0.18 -0.04 7.15 7.17 2hrpM1 TYR 140 HE2 0.20 0.00 0.01 -0.04 6.85 7.02 2hrpM1 PRO 141 HA -1.10 0.09 0.33 -0.51 4.44 3.24 2hrpM1 PRO 141 HB2 -0.08 0.05 0.02 -0.04 2.28 2.23 2hrpM1 PRO 141 HB3 -0.23 -0.01 0.12 -0.04 2.02 1.86 2hrpM1 PRO 141 HG2 -0.09 0.03 0.09 -0.04 2.03 2.02 2hrpM1 PRO 141 HG3 -0.13 0.07 0.05 -0.04 2.03 1.98 2hrpM1 PRO 141 HD2 -0.14 0.01 0.24 -0.04 3.68 3.74 2hrpM1 PRO 141 HD3 0.13 0.16 0.45 -0.04 3.65 4.35 2hrpM1 LYS 142 H -0.32 0.13 0.10 -0.55 8.42 7.78 2hrpM1 LYS 142 HA 0.02 0.10 0.32 -0.75 4.32 4.01 2hrpM1 LYS 142 HB2 -1.45 0.03 0.08 -0.04 1.87 0.48 2hrpM1 LYS 142 HB3 -0.40 -0.05 0.07 -0.04 1.79 1.36 2hrpM1 LYS 142 HG2 -0.44 -0.01 -0.21 -0.04 1.46 0.76 2hrpM1 LYS 142 HG3 -0.25 0.01 0.02 -0.04 1.46 1.21 2hrpM1 LYS 142 HD2 -0.99 0.01 -0.00 -0.04 1.69 0.66 2hrpM1 LYS 142 HD3 -0.46 -0.01 -0.02 -0.04 1.68 1.14 2hrpM1 LYS 142 HE2 -0.71 -0.03 -0.02 -0.04 2.99 2.19 2hrpM1 LYS 142 HE3 -0.55 -0.00 0.01 -0.04 2.99 2.40 2hrpM1 ASP 143 H -0.03 -0.05 -0.20 -0.55 8.40 7.58 2hrpM1 ASP 143 HA 0.05 0.02 0.37 -0.75 4.63 4.32 2hrpM1 ASP 143 HB2 -0.03 -0.03 0.04 -0.04 2.71 2.65 2hrpM1 ASP 143 HB3 -0.01 0.04 -0.03 -0.04 2.70 2.65 2hrpM1 ILE 144 H 0.24 0.22 0.24 -0.55 8.25 8.40 2hrpM1 ILE 144 HA 0.08 0.18 0.73 -0.75 4.18 4.41 2hrpM1 ILE 144 HB -0.07 0.12 -0.37 -0.04 1.89 1.53 2hrpM1 ILE 144 HG12 -0.17 -0.00 -0.20 -0.04 1.49 1.07 2hrpM1 ILE 144 HG13 -0.08 0.15 -0.03 -0.04 1.21 1.21 2hrpM1 ILE 144 HG23 0.18 0.00 -0.14 -0.04 0.93 0.94 2hrpM1 ILE 144 HD13 -0.78 -0.02 -0.18 -0.04 0.88 -0.14 2hrpM1 ASN 145 H 0.00 0.60 0.33 -0.55 8.53 8.92 2hrpM1 ASN 145 HA 0.09 0.17 0.99 -0.75 4.76 5.25 2hrpM1 ASN 145 HB2 0.03 0.00 -0.03 -0.04 2.88 2.84 2hrpM1 ASN 145 HB3 -0.00 -0.04 0.12 -0.04 2.79 2.83 2hrpM1 ASN 145 HD21 0.04 0.01 -0.01 -0.04 7.03 7.02 2hrpM1 ASN 145 HD22 0.05 -0.01 0.02 -0.04 7.74 7.76 2hrpM1 VAL 146 H 0.01 0.24 0.18 -0.55 8.24 8.13 2hrpM1 VAL 146 HA -0.16 0.47 1.04 -0.75 4.13 4.74 2hrpM1 VAL 146 HB -0.09 -0.05 0.01 -0.04 2.12 1.96 2hrpM1 VAL 146 HG13 -0.46 -0.01 -0.23 -0.04 0.97 0.22 2hrpM1 VAL 146 HG23 -0.19 -0.00 -0.26 -0.04 0.95 0.45 2hrpM1 LYS 147 H -0.20 0.55 0.31 -0.55 8.42 8.53 2hrpM1 LYS 147 HA 0.01 0.16 0.92 -0.75 4.32 4.65 2hrpM1 LYS 147 HB2 -0.03 -0.00 -0.12 -0.04 1.87 1.67 2hrpM1 LYS 147 HB3 -0.06 -0.05 0.05 -0.04 1.79 1.68 2hrpM1 LYS 147 HG2 0.03 0.15 -0.04 -0.04 1.46 1.55 2hrpM1 LYS 147 HG3 0.03 0.01 0.05 -0.04 1.46 1.50 2hrpM1 LYS 147 HD2 -0.01 -0.02 -0.11 -0.04 1.69 1.50 2hrpM1 LYS 147 HD3 0.01 -0.01 -0.04 -0.04 1.68 1.59 2hrpM1 LYS 147 HE2 0.00 0.00 -0.05 -0.04 2.99 2.91 2hrpM1 LYS 147 HE3 -0.02 -0.01 -0.09 -0.04 2.99 2.83 2hrpM1 TRP 148 H 0.23 0.22 0.22 -0.55 7.97 8.09 2hrpM1 TRP 148 HA -0.00 0.36 1.08 -0.75 4.62 5.31 2hrpM1 TRP 148 HB2 0.01 0.08 0.19 -0.04 3.23 3.47 2hrpM1 TRP 148 HB3 0.02 0.00 0.04 -0.04 3.23 3.25 2hrpM1 TRP 148 HD1 0.01 0.01 -0.11 -0.04 7.22 7.09 2hrpM1 TRP 148 HE1 -0.01 -0.06 -0.28 -0.04 10.20 9.82 2hrpM1 TRP 148 HE3 0.06 0.06 0.01 -0.04 7.59 7.67 2hrpM1 TRP 148 HZ2 -0.02 0.17 -0.13 -0.04 7.44 7.43 2hrpM1 TRP 148 HZ3 0.13 -0.04 -0.25 -0.04 7.13 6.93 2hrpM1 TRP 148 HH2 0.06 -0.04 -0.51 -0.04 7.19 6.66 2hrpM1 LYS 149 H 0.26 0.55 0.29 -0.55 8.42 8.97 2hrpM1 LYS 149 HA 0.06 0.34 0.51 -0.75 4.32 4.48 2hrpM1 LYS 149 HB2 0.00 -0.03 -0.11 -0.04 1.87 1.70 2hrpM1 LYS 149 HB3 -0.02 -0.16 -0.35 -0.04 1.79 1.22 2hrpM1 LYS 149 HG2 0.01 0.05 -0.41 -0.04 1.46 1.07 2hrpM1 LYS 149 HG3 0.01 -0.03 -0.59 -0.04 1.46 0.81 2hrpM1 LYS 149 HD2 -0.02 -0.04 -0.21 -0.04 1.69 1.37 2hrpM1 LYS 149 HD3 -0.02 0.05 -0.19 -0.04 1.68 1.48 2hrpM1 LYS 149 HE2 -0.01 0.04 -0.08 -0.04 2.99 2.90 2hrpM1 LYS 149 HE3 -0.01 -0.03 -0.16 -0.04 2.99 2.74 2hrpM1 ILE 150 H -0.05 0.81 0.10 -0.55 8.25 8.56 2hrpM1 ILE 150 HA -0.34 0.28 1.00 -0.75 4.18 4.37 2hrpM1 ILE 150 HB -0.21 0.05 0.12 -0.04 1.89 1.81 2hrpM1 ILE 150 HG12 0.00 0.05 -0.09 -0.04 1.49 1.41 2hrpM1 ILE 150 HG13 0.00 -0.05 -0.27 -0.04 1.21 0.85 2hrpM1 ILE 150 HG23 -0.59 0.00 -0.08 -0.04 0.93 0.22 2hrpM1 ILE 150 HD13 -0.03 0.01 -0.10 -0.04 0.88 0.72 2hrpM1 ASP 151 H -0.28 0.68 0.25 -0.55 8.40 8.50 2hrpM1 ASP 151 HA -0.11 -0.04 0.38 -0.75 4.63 4.11 2hrpM1 ASP 151 HB2 0.01 0.20 -0.06 -0.04 2.71 2.82 2hrpM1 ASP 151 HB3 -0.02 0.04 0.29 -0.04 2.70 2.97 2hrpM1 GLY 152 H -0.08 0.07 -0.43 -0.55 8.43 7.44 2hrpM1 GLY 152 HA2 -0.04 -0.01 0.17 -0.51 4.01 3.63 2hrpM1 GLY 152 HA3 -0.03 0.15 0.44 -0.51 4.01 4.06 2hrpM1 SER 153 H -0.05 0.58 -0.62 -0.55 8.46 7.82 2hrpM1 SER 153 HA -0.01 0.10 0.72 -0.75 4.49 4.54 2hrpM1 SER 153 HB2 -0.04 0.08 0.11 -0.04 3.95 4.06 2hrpM1 SER 153 HB3 -0.02 0.05 -0.01 -0.04 3.93 3.91 2hrpM1 GLU 154 H 0.00 0.12 0.18 -0.55 8.60 8.36 2hrpM1 GLU 154 HA 0.05 0.31 0.62 -0.75 4.29 4.51 2hrpM1 ARG 155 H 0.11 0.51 0.20 -0.55 8.46 8.73 2hrpM1 ARG 155 HA 0.02 0.13 0.83 -0.75 4.34 4.56 2hrpM1 ARG 155 HB2 0.00 0.04 -0.07 -0.04 1.90 1.83 2hrpM1 ARG 155 HB3 0.10 -0.07 0.03 -0.04 1.80 1.81 2hrpM1 ARG 155 HG2 -0.06 -0.01 -0.07 -0.04 1.67 1.48 2hrpM1 ARG 155 HG3 -0.02 -0.04 -0.19 -0.04 1.67 1.38 2hrpM1 ARG 155 HD2 -0.01 -0.06 -0.11 -0.04 3.22 3.00 2hrpM1 ARG 155 HD3 -0.02 0.03 0.02 -0.04 3.22 3.20 2hrpM1 GLN 156 H 0.02 0.24 -0.03 -0.55 8.47 8.15 2hrpM1 GLN 156 HA 0.07 0.14 0.86 -0.75 4.36 4.68 2hrpM1 GLN 156 HB2 0.03 0.01 0.20 -0.04 2.15 2.35 2hrpM1 GLN 156 HB3 0.04 0.00 0.12 -0.04 2.02 2.15 2hrpM1 GLN 156 HG2 0.06 0.07 -0.11 -0.04 2.40 2.39 2hrpM1 GLN 156 HG3 0.04 -0.02 -0.36 -0.04 2.39 2.01 2hrpM1 GLN 156 HE21 0.03 -0.01 -0.01 -0.04 6.97 6.94 2hrpM1 GLN 156 HE22 0.04 0.00 -0.04 -0.04 7.69 7.65 2hrpM1 ASN 157 H 0.02 0.22 -0.12 -0.55 8.53 8.10 2hrpM1 ASN 157 HA 0.01 -0.00 0.35 -0.75 4.76 4.37 2hrpM1 ASN 157 HB2 -0.00 -0.03 0.15 -0.04 2.88 2.96 2hrpM1 ASN 157 HB3 0.01 0.28 0.55 -0.04 2.79 3.58 2hrpM1 ASN 157 HD21 -0.01 -0.01 -0.06 -0.04 7.03 6.91 2hrpM1 ASN 157 HD22 -0.01 -0.00 -0.08 -0.04 7.74 7.61 2hrpM1 GLY 158 H -0.01 0.17 0.18 -0.55 8.43 8.22 2hrpM1 GLY 158 HA2 -0.04 0.02 0.37 -0.51 4.01 3.85 2hrpM1 GLY 158 HA3 -0.07 0.25 0.61 -0.51 4.01 4.29 2hrpM1 VAL 159 H -0.01 -0.00 -0.12 -0.55 8.24 7.56 2hrpM1 VAL 159 HA -0.11 0.51 1.24 -0.75 4.13 5.02 2hrpM1 VAL 159 HB 0.13 0.03 -0.07 -0.04 2.12 2.16 2hrpM1 VAL 159 HG13 -0.12 -0.01 -0.19 -0.04 0.97 0.61 2hrpM1 VAL 159 HG23 0.12 -0.02 -0.04 -0.04 0.95 0.96 2hrpM1 LEU 160 H 0.02 0.61 0.40 -0.55 8.37 8.86 2hrpM1 LEU 160 HA 0.07 0.17 1.01 -0.75 4.35 4.85 2hrpM1 LEU 160 HB2 0.03 -0.06 0.11 -0.04 1.64 1.68 2hrpM1 LEU 160 HB3 0.05 0.06 0.00 -0.04 1.64 1.71 2hrpM1 LEU 160 HG -0.00 -0.00 -0.22 -0.04 1.64 1.37 2hrpM1 LEU 160 HD13 0.01 -0.00 -0.05 -0.04 0.93 0.84 2hrpM1 LEU 160 HD23 0.03 0.06 -0.05 -0.04 0.89 0.89 2hrpM1 ASN 161 H 0.14 0.20 0.23 -0.55 8.53 8.55 2hrpM1 ASN 161 HA 0.06 0.42 1.23 -0.75 4.76 5.72 2hrpM1 ASN 161 HB2 0.36 -0.02 0.05 -0.04 2.88 3.22 2hrpM1 ASN 161 HB3 0.01 0.03 0.08 -0.04 2.79 2.88 2hrpM1 ASN 161 HD21 0.17 0.02 -0.11 -0.04 7.03 7.07 2hrpM1 ASN 161 HD22 0.21 0.01 -0.00 -0.04 7.74 7.91 2hrpM1 SER 162 H -0.04 0.50 0.35 -0.55 8.46 8.72 2hrpM1 SER 162 HA 0.37 0.08 0.64 -0.75 4.49 4.83 2hrpM1 SER 162 HB2 0.13 0.06 -0.19 -0.04 3.95 3.91 2hrpM1 SER 162 HB3 0.11 -0.08 0.01 -0.04 3.93 3.94 2hrpM1 TRP 163 H 0.65 0.18 0.20 -0.55 7.97 8.45 2hrpM1 TRP 163 HA 0.14 0.25 1.24 -0.75 4.62 5.49 2hrpM1 TRP 163 HB2 0.07 -0.08 0.13 -0.04 3.23 3.31 2hrpM1 TRP 163 HB3 0.10 0.24 0.06 -0.04 3.23 3.59 2hrpM1 TRP 163 HD1 0.08 -0.03 0.03 -0.04 7.22 7.26 2hrpM1 TRP 163 HE1 0.26 0.31 0.02 -0.04 10.20 10.75 2hrpM1 TRP 163 HE3 0.08 -0.14 -0.10 -0.04 7.59 7.39 2hrpM1 TRP 163 HZ2 0.05 0.12 0.04 -0.04 7.44 7.61 2hrpM1 TRP 163 HZ3 0.06 -0.02 -0.11 -0.04 7.13 7.02 2hrpM1 TRP 163 HH2 0.04 0.01 -0.00 -0.04 7.19 7.19 2hrpM1 THR 164 H 0.25 0.44 0.34 -0.55 8.28 8.77 2hrpM1 THR 164 HA 0.14 0.05 0.49 -0.75 4.39 4.31 2hrpM1 THR 164 HB 0.10 -0.16 0.19 -0.04 4.32 4.42 2hrpM1 THR 164 HG23 0.03 0.16 0.06 -0.04 1.22 1.44 2hrpM1 ASP 165 H 0.10 0.06 0.14 -0.55 8.40 8.15 2hrpM1 ASP 165 HA 0.22 0.12 0.67 -0.75 4.63 4.89 2hrpM1 ASP 165 HB2 0.05 -0.02 0.04 -0.04 2.71 2.74 2hrpM1 ASP 165 HB3 0.07 0.04 0.10 -0.04 2.70 2.87 2hrpM1 GLN 166 H 0.06 0.09 0.09 -0.55 8.47 8.17 2hrpM1 GLN 166 HA -0.79 0.22 0.32 -0.75 4.36 3.36 2hrpM1 GLN 166 HB2 -0.25 -0.04 0.10 -0.04 2.15 1.92 2hrpM1 GLN 166 HB3 -0.10 -0.01 0.09 -0.04 2.02 1.95 2hrpM1 GLN 166 HG2 -0.19 0.01 -0.20 -0.04 2.40 1.98 2hrpM1 GLN 166 HG3 -0.50 0.16 -0.24 -0.04 2.39 1.76 2hrpM1 GLN 166 HE21 0.10 0.23 0.17 -0.04 6.97 7.43 2hrpM1 GLN 166 HE22 -0.04 0.30 0.10 -0.04 7.69 8.01 2hrpM1 ASP 167 H -0.25 0.74 0.27 -0.55 8.40 8.61 2hrpM1 ASP 167 HA -0.07 0.07 0.45 -0.75 4.63 4.33 2hrpM1 ASP 167 HB2 -0.09 0.12 0.07 -0.04 2.71 2.77 2hrpM1 ASP 167 HB3 -0.11 -0.20 0.11 -0.04 2.70 2.46 2hrpM1 SER 168 H -0.04 0.15 0.20 -0.55 8.46 8.22 2hrpM1 SER 168 HA -0.04 0.18 0.30 -0.75 4.49 4.18 2hrpM1 SER 168 HB2 -0.02 0.02 0.04 -0.04 3.95 3.95 2hrpM1 SER 168 HB3 -0.02 0.10 0.13 -0.04 3.93 4.11 2hrpM1 LYS 169 H -0.04 -0.02 -0.14 -0.55 8.42 7.66 2hrpM1 LYS 169 HA -0.03 0.24 0.78 -0.75 4.32 4.56 2hrpM1 LYS 169 HB2 -0.03 -0.04 0.04 -0.04 1.87 1.80 2hrpM1 LYS 169 HB3 -0.03 0.05 0.04 -0.04 1.79 1.81 2hrpM1 LYS 169 HG2 -0.02 -0.08 -0.02 -0.04 1.46 1.29 2hrpM1 LYS 169 HG3 -0.02 0.03 -0.01 -0.04 1.46 1.42 2hrpM1 LYS 169 HD2 -0.02 0.03 -0.02 -0.04 1.69 1.64 2hrpM1 LYS 169 HD3 -0.02 0.05 -0.28 -0.04 1.68 1.39 2hrpM1 LYS 169 HE2 -0.01 -0.00 -0.02 -0.04 2.99 2.91 2hrpM1 LYS 169 HE3 -0.01 0.02 -0.04 -0.04 2.99 2.92 2hrpM1 ASP 170 H -0.06 -0.03 -0.08 -0.55 8.40 7.69 2hrpM1 ASP 170 HA -0.05 0.32 0.93 -0.75 4.63 5.07 2hrpM1 ASP 170 HB2 -0.04 0.06 0.14 -0.04 2.71 2.82 2hrpM1 ASP 170 HB3 -0.03 0.01 -0.15 -0.04 2.70 2.49 2hrpM1 SER 171 H -0.09 0.38 -0.05 -0.55 8.46 8.15 2hrpM1 SER 171 HA -0.15 0.18 0.28 -0.75 4.49 4.04 2hrpM1 SER 171 HB2 -0.16 0.11 -0.09 -0.04 3.95 3.77 2hrpM1 SER 171 HB3 -0.18 -0.02 0.16 -0.04 3.93 3.84 2hrpM1 THR 172 H -0.13 -0.12 -0.32 -0.55 8.28 7.16 2hrpM1 THR 172 HA 0.00 0.30 0.66 -0.75 4.39 4.61 2hrpM1 THR 172 HB -0.06 -0.01 -0.09 -0.04 4.32 4.12 2hrpM1 THR 172 HG23 -0.00 0.06 -0.25 -0.04 1.22 0.99 2hrpM1 TYR 173 H -0.21 0.62 0.33 -0.55 8.29 8.48 2hrpM1 TYR 173 HA -0.11 0.18 0.71 -0.75 4.56 4.59 2hrpM1 TYR 173 HB2 -0.74 0.10 -0.00 -0.04 3.06 2.37 2hrpM1 TYR 173 HB3 -0.12 0.04 0.10 -0.04 2.98 2.95 2hrpM1 TYR 173 HD2 0.07 0.19 -0.11 -0.04 7.15 7.25 2hrpM1 TYR 173 HE2 0.17 -0.04 -0.00 -0.04 6.85 6.94 2hrpM1 SER 174 H 0.07 0.30 0.29 -0.55 8.46 8.58 2hrpM1 SER 174 HA 0.05 0.28 0.80 -0.75 4.49 4.86 2hrpM1 SER 174 HB2 0.01 -0.04 0.05 -0.04 3.95 3.93 2hrpM1 SER 174 HB3 0.03 0.07 0.08 -0.04 3.93 4.07 2hrpM1 MET 175 H 0.14 0.57 0.32 -0.55 8.47 8.96 2hrpM1 MET 175 HA -0.22 0.29 0.92 -0.75 4.52 4.75 2hrpM1 MET 175 HB2 -1.76 0.00 0.07 -0.04 2.15 0.42 2hrpM1 MET 175 HB3 -0.62 -0.01 -0.18 -0.04 2.03 1.17 2hrpM1 MET 175 HG2 -0.38 -0.02 -0.11 -0.04 2.63 2.07 2hrpM1 MET 175 HG3 -0.33 0.00 -0.53 -0.04 2.56 1.66 2hrpM1 MET 175 HE3 -0.42 -0.07 -0.22 -0.04 2.10 1.34 2hrpM1 SER 176 H -0.11 0.65 0.42 -0.55 8.46 8.87 2hrpM1 SER 176 HA 0.09 0.30 1.01 -0.75 4.49 5.13 2hrpM1 SER 176 HB2 0.29 -0.04 -0.02 -0.04 3.95 4.15 2hrpM1 SER 176 HB3 0.10 -0.02 0.08 -0.04 3.93 4.05 2hrpM1 SER 177 H 0.01 0.47 0.32 -0.55 8.46 8.71 2hrpM1 SER 177 HA 0.11 0.42 1.03 -0.75 4.49 5.29 2hrpM1 SER 177 HB2 0.01 0.00 -0.14 -0.04 3.95 3.79 2hrpM1 SER 177 HB3 0.12 -0.03 0.07 -0.04 3.93 4.05 2hrpM1 THR 178 H 0.10 0.62 0.36 -0.55 8.28 8.82 2hrpM1 THR 178 HA 0.04 0.37 1.24 -0.75 4.39 5.28 2hrpM1 THR 178 HB -0.03 -0.05 0.10 -0.04 4.32 4.30 2hrpM1 THR 178 HG23 -0.10 0.00 -0.24 -0.04 1.22 0.84 2hrpM1 LEU 179 H -0.54 0.75 0.35 -0.55 8.37 8.38 2hrpM1 LEU 179 HA -0.47 0.20 0.83 -0.75 4.35 4.16 2hrpM1 LEU 179 HB2 -2.45 -0.03 0.02 -0.04 1.64 -0.87 2hrpM1 LEU 179 HB3 -1.36 -0.02 0.22 -0.04 1.64 0.44 2hrpM1 LEU 179 HG -0.72 -0.05 -0.06 -0.04 1.64 0.77 2hrpM1 LEU 179 HD13 -0.26 -0.01 -0.15 -0.04 0.93 0.47 2hrpM1 LEU 179 HD23 -0.27 0.02 -0.14 -0.04 0.89 0.46 2hrpM1 THR 180 H -0.19 0.90 0.36 -0.55 8.28 8.79 2hrpM1 THR 180 HA -0.16 0.20 1.12 -0.75 4.39 4.79 2hrpM1 THR 180 HB -0.08 0.03 0.14 -0.04 4.32 4.36 2hrpM1 THR 180 HG23 -0.07 -0.03 -0.15 -0.04 1.22 0.93 2hrpM1 LEU 181 H -0.10 0.64 0.30 -0.55 8.37 8.67 2hrpM1 LEU 181 HA -0.03 0.10 0.56 -0.75 4.35 4.22 2hrpM1 LEU 181 HB2 0.04 -0.04 0.09 -0.04 1.64 1.69 2hrpM1 LEU 181 HB3 -0.01 0.04 0.10 -0.04 1.64 1.73 2hrpM1 LEU 181 HG -0.07 -0.01 -0.42 -0.04 1.64 1.10 2hrpM1 LEU 181 HD13 0.06 0.09 -0.10 -0.04 0.93 0.94 2hrpM1 LEU 181 HD23 0.08 -0.01 -0.16 -0.04 0.89 0.76 2hrpM1 THR 182 H 0.02 0.10 0.16 -0.55 8.28 8.01 2hrpM1 THR 182 HA -0.00 0.24 0.77 -0.75 4.39 4.64 2hrpM1 THR 182 HB 0.02 0.05 0.21 -0.04 4.32 4.56 2hrpM1 THR 182 HG23 0.01 0.04 0.08 -0.04 1.22 1.30 2hrpM1 LYS 183 H 0.01 0.61 0.05 -0.55 8.42 8.54 2hrpM1 LYS 183 HA 0.07 0.10 0.24 -0.75 4.32 3.97 2hrpM1 LYS 183 HB2 0.00 0.07 -0.22 -0.04 1.87 1.68 2hrpM1 LYS 183 HB3 0.03 0.02 0.05 -0.04 1.79 1.84 2hrpM1 LYS 183 HG2 0.08 -0.04 -0.25 -0.04 1.46 1.22 2hrpM1 LYS 183 HG3 0.06 -0.01 -0.03 -0.04 1.46 1.44 2hrpM1 LYS 183 HD2 0.01 0.34 0.07 -0.04 1.69 2.08 2hrpM1 LYS 183 HD3 0.02 -0.04 -0.01 -0.04 1.68 1.61 2hrpM1 LYS 183 HE2 0.04 -0.04 -0.07 -0.04 2.99 2.88 2hrpM1 LYS 183 HE3 0.04 -0.03 -0.06 -0.04 2.99 2.90 2hrpM1 ASP 184 H 0.05 0.12 -0.14 -0.55 8.40 7.88 2hrpM1 ASP 184 HA 0.06 0.12 0.30 -0.75 4.63 4.36 2hrpM1 ASP 184 HB2 0.04 -0.07 0.07 -0.04 2.71 2.70 2hrpM1 ASP 184 HB3 0.04 0.07 -0.10 -0.04 2.70 2.67 2hrpM1 GLU 185 H 0.09 0.05 -0.25 -0.55 8.60 7.94 2hrpM1 GLU 185 HA 0.12 0.15 0.51 -0.75 4.29 4.32 2hrpM1 GLU 185 HB2 0.09 -0.03 0.06 -0.04 2.09 2.16 2hrpM1 GLU 185 HB3 0.11 0.00 0.01 -0.04 1.99 2.07 2hrpM1 GLU 185 HG2 0.23 0.02 -0.11 -0.04 2.34 2.45 2hrpM1 GLU 185 HG3 0.24 0.02 0.04 -0.04 2.34 2.61 2hrpM1 TYR 186 H 0.22 0.34 -0.41 -0.55 8.29 7.90 2hrpM1 TYR 186 HA 0.22 0.02 0.39 -0.75 4.56 4.44 2hrpM1 TYR 186 HB2 -0.00 0.02 -0.01 -0.04 3.06 3.02 2hrpM1 TYR 186 HB3 0.03 0.16 0.12 -0.04 2.98 3.25 2hrpM1 TYR 186 HD2 -0.17 0.02 -0.11 -0.04 7.15 6.85 2hrpM1 TYR 186 HE2 -0.38 -0.01 -0.07 -0.04 6.85 6.35 2hrpM1 GLU 187 H 0.14 0.46 -0.20 -0.55 8.60 8.46 2hrpM1 GLU 187 HA -0.08 0.12 0.55 -0.75 4.29 4.12 2hrpM1 GLU 187 HB2 0.06 0.05 0.07 -0.04 2.09 2.23 2hrpM1 GLU 187 HB3 0.02 -0.04 0.13 -0.04 1.99 2.05 2hrpM1 GLU 187 HG2 0.09 -0.02 -0.02 -0.04 2.34 2.36 2hrpM1 GLU 187 HG3 0.21 0.04 -0.03 -0.04 2.34 2.52 2hrpM1 ARG 188 H 0.06 0.23 -0.86 -0.55 8.46 7.33 2hrpM1 ARG 188 HA -0.12 0.11 0.73 -0.75 4.34 4.31 2hrpM1 ARG 188 HB2 -0.00 0.11 0.10 -0.04 1.90 2.07 2hrpM1 ARG 188 HB3 -0.28 -0.08 0.11 -0.04 1.80 1.51 2hrpM1 ARG 188 HG2 -0.03 0.01 -0.08 -0.04 1.67 1.52 2hrpM1 ARG 188 HG3 0.02 0.05 -0.02 -0.04 1.67 1.67 2hrpM1 ARG 188 HD2 -0.06 -0.01 0.02 -0.04 3.22 3.13 2hrpM1 ARG 188 HD3 -0.01 -0.05 -0.03 -0.04 3.22 3.09 2hrpM1 HIS 189 H -0.00 0.37 -0.27 -0.55 8.41 7.96 2hrpM1 HIS 189 HA -0.09 0.15 0.83 -0.75 4.63 4.76 2hrpM1 HIS 189 HB2 -0.04 0.09 0.01 -0.04 3.26 3.28 2hrpM1 HIS 189 HB3 -0.30 -0.19 0.07 -0.04 3.20 2.74 2hrpM1 HIS 189 HD2 -0.10 -0.06 -0.03 -0.04 6.97 6.74 2hrpM1 HIS 189 HE1 0.00 -0.07 -0.05 -0.04 7.75 7.58 2hrpM1 ASN 190 H -0.10 0.04 0.17 -0.55 8.53 8.09 2hrpM1 ASN 190 HA -0.04 0.24 1.16 -0.75 4.76 5.36 2hrpM1 ASN 190 HB2 -0.08 -0.04 0.16 -0.04 2.88 2.88 2hrpM1 ASN 190 HB3 -0.05 -0.04 0.02 -0.04 2.79 2.68 2hrpM1 ASN 190 HD21 -0.05 0.06 -0.05 -0.04 7.03 6.94 2hrpM1 ASN 190 HD22 -0.05 -0.02 0.01 -0.04 7.74 7.64 2hrpM1 SER 191 H -0.24 0.04 0.26 -0.55 8.46 7.97 2hrpM1 SER 191 HA -0.20 0.37 1.30 -0.75 4.49 5.20 2hrpM1 SER 191 HB2 -0.14 0.09 -0.08 -0.04 3.95 3.78 2hrpM1 SER 191 HB3 -0.10 0.03 -0.01 -0.04 3.93 3.81 2hrpM1 TYR 192 H -0.34 0.69 0.41 -0.55 8.29 8.49 2hrpM1 TYR 192 HA -0.07 0.25 0.97 -0.75 4.56 4.95 2hrpM1 TYR 192 HB2 -1.49 -0.00 0.09 -0.04 3.06 1.61 2hrpM1 TYR 192 HB3 -0.07 0.03 -0.02 -0.04 2.98 2.88 2hrpM1 TYR 192 HD2 -0.30 0.04 -0.13 -0.04 7.15 6.72 2hrpM1 TYR 192 HE2 -0.14 0.04 -0.20 -0.04 6.85 6.51 2hrpM1 THR 193 H 0.19 0.47 0.36 -0.55 8.28 8.74 2hrpM1 THR 193 HA 0.01 0.36 1.15 -0.75 4.39 5.16 2hrpM1 THR 193 HB -0.02 -0.09 -0.03 -0.04 4.32 4.14 2hrpM1 THR 193 HG23 -0.07 0.02 -0.28 -0.04 1.22 0.85 2hrpM1 CYS 194 H -0.20 0.57 0.33 -0.55 8.50 8.66 2hrpM1 CYS 194 HA -0.65 0.38 1.03 -0.75 4.58 4.59 2hrpM1 CYS 194 HB2 -1.19 0.00 0.01 -0.04 2.97 1.76 2hrpM1 CYS 194 HB3 -1.82 -0.03 -0.09 -0.04 2.97 0.99 2hrpM1 GLU 195 H -0.28 0.58 0.33 -0.55 8.60 8.69 2hrpM1 GLU 195 HA -0.14 0.36 1.07 -0.75 4.29 4.82 2hrpM1 GLU 195 HB2 -0.10 -0.08 0.04 -0.04 2.09 1.90 2hrpM1 GLU 195 HB3 -0.08 0.03 -0.11 -0.04 1.99 1.79 2hrpM1 GLU 195 HG2 -0.08 0.03 -0.15 -0.04 2.34 2.10 2hrpM1 GLU 195 HG3 -0.10 -0.05 -0.31 -0.04 2.34 1.84 2hrpM1 ALA 196 H -0.11 0.66 0.28 -0.55 8.40 8.69 2hrpM1 ALA 196 HA -0.13 0.44 1.16 -0.75 4.34 5.05 2hrpM1 ALA 196 HB3 -0.15 -0.02 -0.01 -0.04 1.41 1.19 2hrpM1 THR 197 H -0.06 0.64 0.30 -0.55 8.28 8.62 2hrpM1 THR 197 HA -0.02 0.17 0.91 -0.75 4.39 4.69 2hrpM1 THR 197 HB -0.02 -0.09 0.13 -0.04 4.32 4.30 2hrpM1 THR 197 HG23 -0.02 0.02 -0.15 -0.04 1.22 1.03 2hrpM1 HIS 198 H 0.04 0.34 0.14 -0.55 8.41 8.38 2hrpM1 HIS 198 HA -0.05 0.21 0.82 -0.75 4.63 4.86 2hrpM1 HIS 198 HB2 -0.17 0.04 -0.15 -0.04 3.26 2.94 2hrpM1 HIS 198 HB3 -0.06 -0.03 0.01 -0.04 3.20 3.08 2hrpM1 HIS 198 HD2 -0.04 0.26 -0.03 -0.04 6.97 7.11 2hrpM1 HIS 198 HE1 0.14 0.22 -0.19 -0.04 7.75 7.88 2hrpM1 LYS 199 H -0.69 0.27 0.12 -0.55 8.42 7.56 2hrpM1 LYS 199 HA -0.15 0.06 0.25 -0.75 4.32 3.73 2hrpM1 LYS 199 HB2 -0.42 0.04 0.09 -0.04 1.87 1.53 2hrpM1 LYS 199 HB3 -0.14 0.01 0.07 -0.04 1.79 1.69 2hrpM1 LYS 199 HG2 -0.12 0.00 0.04 -0.04 1.46 1.34 2hrpM1 LYS 199 HG3 -0.23 0.02 0.08 -0.04 1.46 1.29 2hrpM1 LYS 199 HD2 -0.10 -0.03 0.02 -0.04 1.69 1.53 2hrpM1 LYS 199 HD3 -0.16 0.01 0.07 -0.04 1.68 1.55 2hrpM1 LYS 199 HE2 -0.05 -0.02 0.02 -0.04 2.99 2.90 2hrpM1 LYS 199 HE3 -0.06 0.02 0.02 -0.04 2.99 2.94 2hrpM1 THR 200 H -0.00 0.02 -0.66 -0.55 8.28 7.09 2hrpM1 THR 200 HA 0.06 0.08 0.47 -0.75 4.39 4.24 2hrpM1 THR 200 HB 0.13 -0.01 0.02 -0.04 4.32 4.42 2hrpM1 THR 200 HG23 0.28 -0.02 -0.29 -0.04 1.22 1.14 2hrpM1 SER 201 H 0.01 0.70 -0.07 -0.55 8.46 8.56 2hrpM1 SER 201 HA 0.01 0.06 0.45 -0.75 4.49 4.26 2hrpM1 SER 201 HB2 0.01 -0.19 0.17 -0.04 3.95 3.90 2hrpM1 SER 201 HB3 0.03 0.13 -0.03 -0.04 3.93 4.02 2hrpM1 THR 202 H 0.00 0.11 0.14 -0.55 8.28 7.98 2hrpM1 THR 202 HA -0.01 0.18 0.76 -0.75 4.39 4.57 2hrpM1 THR 202 HB -0.01 0.00 0.06 -0.04 4.32 4.34 2hrpM1 THR 202 HG23 -0.01 0.01 -0.05 -0.04 1.22 1.13 2hrpM1 SER 203 H -0.00 0.02 0.01 -0.55 8.46 7.94 2hrpM1 SER 203 HA -0.01 0.17 0.74 -0.75 4.49 4.63 2hrpM1 SER 203 HB2 -0.00 -0.02 0.12 -0.04 3.95 4.01 2hrpM1 SER 203 HB3 -0.01 0.07 0.04 -0.04 3.93 3.99 2hrpM1 PRO 204 HA -0.03 0.18 0.48 -0.51 4.44 4.56 2hrpM1 PRO 204 HB2 -0.05 -0.03 -0.19 -0.04 2.28 1.97 2hrpM1 PRO 204 HB3 -0.04 -0.01 -0.15 -0.04 2.02 1.78 2hrpM1 PRO 204 HG2 -0.03 -0.01 -0.05 -0.04 2.03 1.90 2hrpM1 PRO 204 HG3 -0.03 0.01 -0.04 -0.04 2.03 1.93 2hrpM1 PRO 204 HD2 -0.02 0.03 0.21 -0.04 3.68 3.86 2hrpM1 PRO 204 HD3 -0.02 0.22 0.14 -0.04 3.65 3.95 2hrpM1 ILE 205 H -0.05 0.48 0.34 -0.55 8.25 8.47 2hrpM1 ILE 205 HA -0.03 0.10 0.71 -0.75 4.18 4.21 2hrpM1 ILE 205 HB -0.07 -0.07 0.19 -0.04 1.89 1.90 2hrpM1 ILE 205 HG12 -0.02 0.02 0.05 -0.04 1.49 1.50 2hrpM1 ILE 205 HG13 -0.02 0.01 0.07 -0.04 1.21 1.22 2hrpM1 ILE 205 HG23 -0.04 0.01 -0.01 -0.04 0.93 0.85 2hrpM1 ILE 205 HD13 -0.04 0.02 0.04 -0.04 0.88 0.87 2hrpM1 VAL 206 H -0.04 0.22 0.18 -0.55 8.24 8.05 2hrpM1 VAL 206 HA -0.09 0.27 1.04 -0.75 4.13 4.60 2hrpM1 VAL 206 HB -0.04 -0.01 0.07 -0.04 2.12 2.10 2hrpM1 VAL 206 HG13 -0.05 -0.01 -0.20 -0.04 0.97 0.66 2hrpM1 VAL 206 HG23 -0.04 0.05 -0.24 -0.04 0.95 0.67 2hrpM1 LYS 207 H -0.09 0.55 0.30 -0.55 8.42 8.61 2hrpM1 LYS 207 HA -0.02 0.15 0.82 -0.75 4.32 4.51 2hrpM1 LYS 207 HB2 -0.08 -0.03 0.01 -0.04 1.87 1.73 2hrpM1 LYS 207 HB3 -0.03 -0.01 -0.02 -0.04 1.79 1.68 2hrpM1 LYS 207 HG2 -0.06 -0.05 -0.41 -0.04 1.46 0.90 2hrpM1 LYS 207 HG3 -0.05 -0.04 -0.42 -0.04 1.46 0.91 2hrpM1 LYS 207 HD2 -0.04 -0.03 0.05 -0.04 1.69 1.64 2hrpM1 LYS 207 HD3 -0.03 0.07 0.18 -0.04 1.68 1.86 2hrpM1 LYS 207 HE2 -0.03 -0.07 -0.08 -0.04 2.99 2.77 2hrpM1 LYS 207 HE3 -0.02 0.20 0.07 -0.04 2.99 3.20 2hrpM1 SER 208 H 0.03 0.29 0.23 -0.55 8.46 8.46 2hrpM1 SER 208 HA 0.06 0.31 1.07 -0.75 4.49 5.17 2hrpM1 SER 208 HB2 0.01 -0.01 -0.13 -0.04 3.95 3.78 2hrpM1 SER 208 HB3 -0.03 0.02 -0.00 -0.04 3.93 3.88 2hrpM1 PHE 209 H -0.12 0.54 0.41 -0.55 8.34 8.62 2hrpM1 PHE 209 HA 0.05 0.32 0.62 -0.75 4.62 4.85 2hrpM1 PHE 209 HB2 0.06 -0.02 0.18 -0.04 3.15 3.33 2hrpM1 PHE 209 HB3 0.04 0.07 -0.13 -0.04 3.06 3.00 2hrpM1 PHE 209 HD2 0.13 0.09 -0.40 -0.04 7.28 7.06 2hrpM1 PHE 209 HE2 0.19 0.02 -0.20 -0.04 7.38 7.35 2hrpM1 PHE 209 HZ -0.12 0.02 -0.07 -0.04 7.32 7.10 2hrpM1 ASN 210 H 0.23 0.11 0.21 -0.55 8.53 8.53 2hrpM1 ASN 210 HA 0.03 0.39 1.01 -0.75 4.76 5.43 2hrpM1 ASN 210 HB2 0.04 0.06 -0.03 -0.04 2.88 2.92 2hrpM1 ASN 210 HB3 0.09 -0.12 -0.12 -0.04 2.79 2.60 2hrpM1 ASN 210 HD21 -0.01 -0.00 -0.05 -0.04 7.03 6.93 2hrpM1 ASN 210 HD22 -0.01 0.01 -0.11 -0.04 7.74 7.59 2hrpM1 ARG 211 H 0.14 0.57 0.29 -0.55 8.46 8.92 2hrpM1 ARG 211 HA 0.36 0.13 0.76 -0.75 4.34 4.83 2hrpM1 ARG 211 HB2 0.08 0.01 0.06 -0.04 1.90 2.00 2hrpM1 ARG 211 HB3 0.16 -0.01 0.04 -0.04 1.80 1.96 2hrpM1 ARG 211 HG2 0.08 0.05 0.16 -0.04 1.67 1.92 2hrpM1 ARG 211 HG3 -0.00 -0.08 0.10 -0.04 1.67 1.65 2hrpM1 ARG 211 HD2 -1.06 -0.12 -0.04 -0.04 3.22 1.96 2hrpM1 ARG 211 HD3 -0.20 0.46 0.15 -0.04 3.22 3.59 2hrpM1 ASN 212 H 0.07 0.08 -0.02 -0.55 8.53 8.11 2hrpM1 ASN 212 HA 0.05 0.12 0.41 -0.75 4.76 4.58 2hrpM1 GLU 213 H 0.11 -0.02 -0.84 -0.55 8.60 7.30 2hrpM1 CYS 214 H 0.14 0.32 0.10 -0.55 8.50 8.51