============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 39 rings ring int. center anis. iso. PHE 37 1.000 20.819 66.006 25.821 -99.200 -91.000 TYR 54 0.840 -0.067 49.445 7.369 -99.200 -91.000 TYR 63 0.840 -7.772 45.332 10.529 -99.200 -91.000 TYR 64 0.840 -2.947 43.605 6.452 -99.200 -91.000 HIS 69 0.900 9.848 36.333 14.432 -99.200 -91.000 PHE 85 1.000 5.214 53.834 35.005 -99.200 -91.000 PHE 89 1.000 -5.625 48.121 29.196 -99.200 -91.000 HIS 95 0.900 0.526 56.745 15.691 -99.200 -91.000 HIS 106 0.900 -13.158 57.119 20.195 -99.200 -91.000 HIS 125 0.900 -0.437 69.564 26.593 -99.200 -91.000 HIS 128 0.900 -4.192 68.636 30.888 -99.200 -91.000 PHE 134 1.000 -7.490 66.047 21.592 -99.200 -91.000 TYR 139 0.840 -14.733 65.643 24.644 -99.200 -91.000 PHE 143 1.000 -10.835 75.386 31.269 -99.200 -91.000 TYR 144 0.840 -8.229 71.494 38.654 -99.200 -91.000 HIS 151 0.900 1.611 82.393 43.545 -99.200 -91.000 PHE 165 1.000 -18.262 71.892 34.333 -99.200 -91.000 TRP 174 1.040 1.936 69.014 37.484 -99.200 -91.000 TRP6 174 1.020 4.267 69.060 36.972 -99.200 -91.000 TYR 177 0.840 1.048 72.570 41.397 -99.200 -91.000 PHE 183 1.000 -1.198 61.964 41.767 -99.200 -91.000 PHE 186 1.000 -6.886 66.520 41.628 -99.200 -91.000 HIS 203 0.900 6.608 68.800 31.918 -99.200 -91.000 PHE 204 1.000 3.213 63.868 37.658 -99.200 -91.000 HIS 213 0.900 4.852 63.297 41.893 -99.200 -91.000 HIS 219 0.900 -4.257 57.138 45.550 -99.200 -91.000 HIS 228 0.900 7.787 62.691 24.272 -99.200 -91.000 TYR 244 0.840 -12.445 52.390 33.839 -99.200 -91.000 PHE 253 1.000 -6.978 49.231 14.284 -99.200 -91.000 HIS 263 0.900 9.333 52.677 13.300 -99.200 -91.000 PHE 280 1.000 14.840 56.439 34.866 -99.200 -91.000 HIS 318 0.900 10.077 67.780 35.794 -99.200 -91.000 HIS 339 0.900 20.633 81.679 21.593 -99.200 -91.000 PHE 362 1.000 26.221 70.002 33.515 -99.200 -91.000 PHE 367 1.000 22.146 70.094 37.623 -99.200 -91.000 PHE 400 1.000 30.443 66.923 33.715 -99.200 -91.000 TYR 403 0.840 23.365 61.376 22.193 -99.200 -91.000 TRP 409 1.040 28.545 54.485 19.548 -99.200 -91.000 TRP6 409 1.020 27.061 55.893 20.752 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h7fA1 GLY -1 HA2 -0.00 0.00 0.19 -0.51 4.01 3.69 3h7fA1 GLY -1 HA3 -0.00 -0.05 0.15 -0.51 4.01 3.60 3h7fA1 SER 0 H -0.00 0.13 0.10 -0.55 8.46 8.15 3h7fA1 SER 0 HA -0.00 0.10 0.03 -0.75 4.49 3.87 3h7fA1 SER 0 HB2 -0.00 0.03 0.10 -0.04 3.95 4.04 3h7fA1 SER 0 HB3 -0.00 0.02 0.08 -0.04 3.93 3.99 3h7fA1 MET 1 H -0.00 0.06 -0.26 -0.55 8.47 7.72 3h7fA1 MET 1 HA -0.01 0.07 0.34 -0.75 4.52 4.16 3h7fA1 MET 1 HB2 -0.00 0.00 0.03 -0.04 2.15 2.14 3h7fA1 MET 1 HB3 -0.00 0.04 -0.02 -0.04 2.03 2.00 3h7fA1 MET 1 HG2 -0.00 -0.07 0.02 -0.04 2.63 2.54 3h7fA1 MET 1 HG3 -0.00 0.01 0.01 -0.04 2.56 2.54 3h7fA1 MET 1 HE3 -0.01 0.00 0.01 -0.04 2.10 2.06 3h7fA1 SER 2 H -0.00 0.27 -0.20 -0.55 8.46 7.99 3h7fA1 SER 2 HA -0.00 0.20 0.87 -0.75 4.49 4.80 3h7fA1 SER 2 HB2 -0.00 0.07 0.04 -0.04 3.95 4.02 3h7fA1 SER 2 HB3 -0.00 -0.03 0.15 -0.04 3.93 4.01 3h7fA1 ALA 3 H -0.00 0.34 -0.23 -0.55 8.40 7.96 3h7fA1 ALA 3 HA -0.00 0.12 0.58 -0.75 4.34 4.28 3h7fA1 ALA 3 HB3 -0.00 0.01 0.03 -0.04 1.41 1.40 3h7fA1 PRO 4 HA -0.00 0.16 0.57 -0.51 4.44 4.66 3h7fA1 PRO 4 HB2 -0.00 -0.16 0.04 -0.04 2.28 2.12 3h7fA1 PRO 4 HB3 -0.00 0.14 0.14 -0.04 2.02 2.25 3h7fA1 PRO 4 HG2 -0.00 -0.11 0.09 -0.04 2.03 1.97 3h7fA1 PRO 4 HG3 -0.00 0.12 0.10 -0.04 2.03 2.21 3h7fA1 PRO 4 HD2 -0.00 0.06 0.23 -0.04 3.68 3.92 3h7fA1 PRO 4 HD3 -0.00 0.28 0.23 -0.04 3.65 4.12 3h7fA1 LEU 5 H -0.00 0.23 0.16 -0.55 8.37 8.21 3h7fA1 LEU 5 HA -0.01 0.08 0.42 -0.75 4.35 4.09 3h7fA1 LEU 5 HB2 -0.01 0.09 0.13 -0.04 1.64 1.81 3h7fA1 LEU 5 HB3 -0.01 -0.00 0.10 -0.04 1.64 1.69 3h7fA1 LEU 5 HG -0.01 -0.04 -0.20 -0.04 1.64 1.35 3h7fA1 LEU 5 HD13 -0.01 -0.01 0.01 -0.04 0.93 0.88 3h7fA1 LEU 5 HD23 -0.01 0.02 -0.08 -0.04 0.89 0.78 3h7fA1 ALA 6 H -0.01 0.11 -0.26 -0.55 8.40 7.69 3h7fA1 ALA 6 HA -0.01 0.06 0.33 -0.75 4.34 3.96 3h7fA1 ALA 6 HB3 -0.01 0.03 0.01 -0.04 1.41 1.40 3h7fA1 GLU 7 H -0.00 0.26 -0.35 -0.55 8.60 7.96 3h7fA1 GLU 7 HA -0.00 0.00 0.60 -0.75 4.29 4.14 3h7fA1 GLU 7 HB2 -0.00 0.00 0.04 -0.04 2.09 2.09 3h7fA1 GLU 7 HB3 -0.00 0.00 0.07 -0.04 1.99 2.02 3h7fA1 GLU 7 HG2 -0.00 0.02 -0.24 -0.04 2.34 2.08 3h7fA1 GLU 7 HG3 -0.00 -0.02 0.00 -0.04 2.34 2.28 3h7fA1 VAL 8 H -0.00 0.43 -0.06 -0.55 8.24 8.06 3h7fA1 VAL 8 HA -0.00 0.06 0.32 -0.75 4.13 3.75 3h7fA1 VAL 8 HB -0.00 -0.03 0.03 -0.04 2.12 2.08 3h7fA1 VAL 8 HG13 -0.00 -0.01 -0.10 -0.04 0.97 0.81 3h7fA1 VAL 8 HG23 -0.00 0.03 -0.08 -0.04 0.95 0.86 3h7fA1 ASP 9 H -0.00 0.54 -0.18 -0.55 8.40 8.21 3h7fA1 ASP 9 HA -0.00 0.17 0.73 -0.75 4.63 4.77 3h7fA1 ASP 9 HB2 -0.00 0.08 -0.20 -0.04 2.71 2.54 3h7fA1 ASP 9 HB3 -0.00 -0.06 0.16 -0.04 2.70 2.76 3h7fA1 PRO 10 HA -0.01 0.08 0.34 -0.51 4.44 4.34 3h7fA1 PRO 10 HB2 -0.00 -0.02 0.07 -0.04 2.28 2.28 3h7fA1 PRO 10 HB3 -0.00 0.05 0.11 -0.04 2.02 2.14 3h7fA1 PRO 10 HG2 -0.00 0.02 0.06 -0.04 2.03 2.07 3h7fA1 PRO 10 HG3 -0.00 0.27 0.08 -0.04 2.03 2.33 3h7fA1 PRO 10 HD2 -0.00 0.07 0.08 -0.04 3.68 3.79 3h7fA1 PRO 10 HD3 -0.00 0.28 -0.37 -0.04 3.65 3.52 3h7fA1 ASP 11 H -0.00 0.14 -0.21 -0.55 8.40 7.78 3h7fA1 ASP 11 HA -0.00 0.09 0.40 -0.75 4.63 4.36 3h7fA1 ASP 11 HB2 -0.00 -0.01 0.07 -0.04 2.71 2.73 3h7fA1 ASP 11 HB3 -0.00 0.03 0.01 -0.04 2.70 2.70 3h7fA1 ILE 12 H -0.00 0.15 -0.14 -0.55 8.25 7.71 3h7fA1 ILE 12 HA -0.00 0.07 0.55 -0.75 4.18 4.04 3h7fA1 ILE 12 HB -0.00 0.09 0.11 -0.04 1.89 2.05 3h7fA1 ILE 12 HG12 -0.00 -0.08 0.01 -0.04 1.49 1.38 3h7fA1 ILE 12 HG13 -0.00 0.04 0.02 -0.04 1.21 1.23 3h7fA1 ILE 12 HG23 -0.00 0.00 -0.09 -0.04 0.93 0.79 3h7fA1 ILE 12 HD13 -0.00 0.01 -0.02 -0.04 0.88 0.83 3h7fA1 ALA 13 H -0.01 0.54 -0.13 -0.55 8.40 8.26 3h7fA1 ALA 13 HA -0.01 0.00 0.38 -0.75 4.34 3.96 3h7fA1 ALA 13 HB3 -0.01 0.03 -0.07 -0.04 1.41 1.32 3h7fA1 GLU 14 H -0.01 0.52 -0.17 -0.55 8.60 8.39 3h7fA1 GLU 14 HA -0.01 0.02 0.41 -0.75 4.29 3.95 3h7fA1 GLU 14 HB2 -0.01 0.04 0.13 -0.04 2.09 2.21 3h7fA1 GLU 14 HB3 -0.00 0.09 0.17 -0.04 1.99 2.21 3h7fA1 GLU 14 HG2 -0.00 0.00 0.00 -0.04 2.34 2.30 3h7fA1 GLU 14 HG3 -0.00 -0.02 -0.14 -0.04 2.34 2.14 3h7fA1 LEU 15 H -0.00 0.44 -0.17 -0.55 8.37 8.08 3h7fA1 LEU 15 HA 0.00 0.00 0.47 -0.75 4.35 4.07 3h7fA1 LEU 15 HB2 -0.00 0.10 0.19 -0.04 1.64 1.89 3h7fA1 LEU 15 HB3 0.00 -0.05 0.02 -0.04 1.64 1.58 3h7fA1 LEU 15 HG 0.00 0.02 0.05 -0.04 1.64 1.68 3h7fA1 LEU 15 HD13 0.00 -0.01 -0.06 -0.04 0.93 0.81 3h7fA1 LEU 15 HD23 0.00 -0.01 0.01 -0.04 0.89 0.85 3h7fA1 LEU 16 H -0.01 0.58 -0.07 -0.55 8.37 8.33 3h7fA1 LEU 16 HA -0.01 0.01 0.55 -0.75 4.35 4.14 3h7fA1 LEU 16 HB2 -0.01 0.14 0.17 -0.04 1.64 1.90 3h7fA1 LEU 16 HB3 -0.02 -0.01 -0.04 -0.04 1.64 1.53 3h7fA1 LEU 16 HG -0.02 -0.03 0.05 -0.04 1.64 1.60 3h7fA1 LEU 16 HD13 -0.01 0.01 -0.02 -0.04 0.93 0.87 3h7fA1 LEU 16 HD23 -0.02 -0.01 -0.02 -0.04 0.89 0.81 3h7fA1 ALA 17 H -0.01 0.42 -0.20 -0.55 8.40 8.06 3h7fA1 ALA 17 HA -0.03 0.01 0.47 -0.75 4.34 4.04 3h7fA1 ALA 17 HB3 -0.02 0.04 0.12 -0.04 1.41 1.51 3h7fA1 LYS 18 H -0.00 0.55 0.00 -0.55 8.42 8.42 3h7fA1 LYS 18 HA 0.00 0.03 0.48 -0.75 4.32 4.08 3h7fA1 LYS 18 HB2 0.01 0.07 0.16 -0.04 1.87 2.07 3h7fA1 LYS 18 HB3 0.01 -0.04 0.02 -0.04 1.79 1.74 3h7fA1 LYS 18 HG2 0.00 -0.03 0.04 -0.04 1.46 1.43 3h7fA1 LYS 18 HG3 -0.00 0.14 0.06 -0.04 1.46 1.62 3h7fA1 LYS 18 HD2 0.00 -0.02 -0.06 -0.04 1.69 1.57 3h7fA1 LYS 18 HD3 0.01 -0.02 -0.01 -0.04 1.68 1.62 3h7fA1 LYS 18 HE2 0.00 -0.00 -0.01 -0.04 2.99 2.94 3h7fA1 LYS 18 HE3 0.00 0.01 -0.02 -0.04 2.99 2.94 3h7fA1 GLU 19 H 0.01 0.54 -0.16 -0.55 8.60 8.45 3h7fA1 GLU 19 HA 0.03 0.01 0.53 -0.75 4.29 4.11 3h7fA1 GLU 19 HB2 0.02 0.00 0.11 -0.04 2.09 2.18 3h7fA1 GLU 19 HB3 0.01 0.10 0.17 -0.04 1.99 2.23 3h7fA1 GLU 19 HG2 0.03 -0.02 -0.01 -0.04 2.34 2.30 3h7fA1 GLU 19 HG3 0.04 0.01 -0.17 -0.04 2.34 2.18 3h7fA1 LEU 20 H -0.00 0.52 -0.08 -0.55 8.37 8.27 3h7fA1 LEU 20 HA 0.03 0.01 0.52 -0.75 4.35 4.15 3h7fA1 LEU 20 HB2 -0.04 -0.01 0.13 -0.04 1.64 1.67 3h7fA1 LEU 20 HB3 -0.03 0.12 0.18 -0.04 1.64 1.87 3h7fA1 LEU 20 HG -0.02 0.03 -0.18 -0.04 1.64 1.42 3h7fA1 LEU 20 HD13 -0.01 -0.01 0.03 -0.04 0.93 0.90 3h7fA1 LEU 20 HD23 -0.10 -0.01 -0.01 -0.04 0.89 0.73 3h7fA1 GLY 21 H 0.00 0.51 -0.17 -0.55 8.43 8.22 3h7fA1 GLY 21 HA2 0.00 0.02 0.41 -0.51 4.01 3.93 3h7fA1 GLY 21 HA3 0.00 0.06 0.32 -0.51 4.01 3.88 3h7fA1 ARG 22 H 0.03 0.43 -0.16 -0.55 8.46 8.20 3h7fA1 ARG 22 HA 0.04 0.01 0.36 -0.75 4.34 3.99 3h7fA1 ARG 22 HB2 0.04 0.05 0.12 -0.04 1.90 2.07 3h7fA1 ARG 22 HB3 0.05 0.08 0.16 -0.04 1.80 2.05 3h7fA1 ARG 22 HG2 0.07 -0.01 -0.10 -0.04 1.67 1.59 3h7fA1 ARG 22 HG3 0.06 -0.02 0.01 -0.04 1.67 1.67 3h7fA1 ARG 22 HD2 0.07 -0.04 -0.05 -0.04 3.22 3.16 3h7fA1 ARG 22 HD3 0.05 -0.01 -0.02 -0.04 3.22 3.19 3h7fA1 GLN 23 H 0.07 0.55 -0.07 -0.55 8.47 8.47 3h7fA1 GLN 23 HA 0.15 -0.04 0.49 -0.75 4.36 4.21 3h7fA1 GLN 23 HB2 0.11 0.12 0.16 -0.04 2.15 2.50 3h7fA1 GLN 23 HB3 0.15 -0.03 0.01 -0.04 2.02 2.10 3h7fA1 GLN 23 HG2 0.26 -0.08 0.03 -0.04 2.40 2.57 3h7fA1 GLN 23 HG3 0.13 0.11 0.07 -0.04 2.39 2.66 3h7fA1 GLN 23 HE21 0.13 -0.05 -0.02 -0.04 6.97 6.98 3h7fA1 GLN 23 HE22 0.11 -0.01 -0.03 -0.04 7.69 7.71 3h7fA1 ARG 24 H 0.02 0.41 -0.20 -0.55 8.46 8.13 3h7fA1 ARG 24 HA -0.05 0.04 0.55 -0.75 4.34 4.11 3h7fA1 ARG 24 HB2 -0.00 0.07 0.19 -0.04 1.90 2.12 3h7fA1 ARG 24 HB3 -0.01 -0.04 0.06 -0.04 1.80 1.76 3h7fA1 ARG 24 HG2 -0.03 -0.03 0.10 -0.04 1.67 1.67 3h7fA1 ARG 24 HG3 0.01 0.08 0.06 -0.04 1.67 1.78 3h7fA1 ARG 24 HD2 -0.01 -0.06 -0.10 -0.04 3.22 3.01 3h7fA1 ARG 24 HD3 -0.02 -0.05 0.01 -0.04 3.22 3.13 3h7fA1 ASP 25 H 0.02 0.38 -0.07 -0.55 8.40 8.18 3h7fA1 ASP 25 HA 0.02 0.06 0.25 -0.75 4.63 4.20 3h7fA1 ASP 25 HB2 0.02 0.00 0.09 -0.04 2.71 2.78 3h7fA1 ASP 25 HB3 0.01 -0.09 0.05 -0.04 2.70 2.63 3h7fA1 THR 26 H 0.04 0.33 -0.14 -0.55 8.28 7.96 3h7fA1 THR 26 HA 0.02 0.17 0.65 -0.75 4.39 4.47 3h7fA1 THR 26 HB 0.04 -0.05 -0.02 -0.04 4.32 4.25 3h7fA1 THR 26 HG23 0.04 0.02 -0.02 -0.04 1.22 1.21 3h7fA1 LEU 27 H 0.03 0.67 0.31 -0.55 8.37 8.84 3h7fA1 LEU 27 HA 0.01 0.18 0.85 -0.75 4.35 4.64 3h7fA1 LEU 27 HB2 0.04 -0.05 0.18 -0.04 1.64 1.78 3h7fA1 LEU 27 HB3 0.02 -0.05 0.02 -0.04 1.64 1.59 3h7fA1 LEU 27 HG 0.06 0.10 -0.02 -0.04 1.64 1.73 3h7fA1 LEU 27 HD13 0.11 -0.02 0.01 -0.04 0.93 0.99 3h7fA1 LEU 27 HD23 0.10 0.05 -0.09 -0.04 0.89 0.90 3h7fA1 GLU 28 H 0.06 0.28 0.03 -0.55 8.60 8.42 3h7fA1 GLU 28 HA 0.04 0.00 0.66 -0.75 4.29 4.24 3h7fA1 GLU 28 HB2 0.13 0.14 0.03 -0.04 2.09 2.35 3h7fA1 GLU 28 HB3 -0.01 0.00 0.08 -0.04 1.99 2.02 3h7fA1 GLU 28 HG2 -0.05 0.00 -0.04 -0.04 2.34 2.21 3h7fA1 GLU 28 HG3 0.00 0.00 -0.01 -0.04 2.34 2.29 3h7fA1 MET 29 H 0.04 0.55 0.35 -0.55 8.47 8.86 3h7fA1 MET 29 HA 0.03 0.28 0.89 -0.75 4.52 4.96 3h7fA1 MET 29 HB2 0.05 0.04 0.10 -0.04 2.15 2.29 3h7fA1 MET 29 HB3 0.05 -0.05 0.24 -0.04 2.03 2.23 3h7fA1 MET 29 HG2 0.05 0.09 -0.37 -0.04 2.63 2.36 3h7fA1 MET 29 HG3 0.04 0.08 -0.35 -0.04 2.56 2.29 3h7fA1 MET 29 HE3 0.14 0.03 -0.10 -0.04 2.10 2.12 3h7fA1 ILE 30 H 0.02 0.08 -0.03 -0.55 8.25 7.77 3h7fA1 ILE 30 HA 0.05 0.07 0.67 -0.75 4.18 4.22 3h7fA1 ILE 30 HB 0.02 0.01 0.08 -0.04 1.89 1.96 3h7fA1 ILE 30 HG12 0.04 0.02 -0.22 -0.04 1.49 1.30 3h7fA1 ILE 30 HG13 0.04 0.08 -0.24 -0.04 1.21 1.05 3h7fA1 ILE 30 HG23 0.06 -0.05 -0.13 -0.04 0.93 0.77 3h7fA1 ILE 30 HD13 0.03 0.01 -0.07 -0.04 0.88 0.82 3h7fA1 ALA 31 H 0.10 0.19 0.10 -0.55 8.40 8.24 3h7fA1 ALA 31 HA 0.16 0.12 0.27 -0.75 4.34 4.13 3h7fA1 ALA 31 HB3 0.18 0.02 -0.01 -0.04 1.41 1.57 3h7fA1 SER 32 H 0.15 -0.02 -0.30 -0.55 8.46 7.74 3h7fA1 SER 32 HA -0.09 0.00 0.49 -0.75 4.49 4.14 3h7fA1 SER 32 HB2 0.08 0.00 -0.08 -0.04 3.95 3.90 3h7fA1 SER 32 HB3 0.01 0.00 0.06 -0.04 3.93 3.96 3h7fA1 GLU 33 H 0.02 0.41 -0.34 -0.55 8.60 8.14 3h7fA1 GLU 33 HA -0.03 0.13 0.80 -0.75 4.29 4.43 3h7fA1 GLU 33 HB2 -0.05 0.06 0.04 -0.04 2.09 2.09 3h7fA1 GLU 33 HB3 -0.15 0.10 0.03 -0.04 1.99 1.92 3h7fA1 GLU 33 HG2 -0.01 0.04 -0.05 -0.04 2.34 2.28 3h7fA1 GLU 33 HG3 0.01 -0.14 -0.16 -0.04 2.34 2.01 3h7fA1 ASN 34 H -0.15 0.24 0.17 -0.55 8.53 8.25 3h7fA1 ASN 34 HA -0.30 0.07 0.37 -0.75 4.76 4.15 3h7fA1 ASN 34 HB2 -0.05 0.00 -0.34 -0.04 2.88 2.45 3h7fA1 ASN 34 HB3 -0.01 0.02 -0.14 -0.04 2.79 2.61 3h7fA1 ASN 34 HD21 -0.01 0.10 -0.05 -0.04 7.03 7.03 3h7fA1 ASN 34 HD22 -0.02 -0.06 -0.10 -0.04 7.74 7.52 3h7fA1 PHE 35 H 0.01 0.27 0.08 -0.55 8.34 8.15 3h7fA1 PHE 35 HA 0.12 0.09 0.80 -0.75 4.62 4.88 3h7fA1 PHE 35 HB2 -0.04 0.03 0.08 -0.04 3.15 3.18 3h7fA1 PHE 35 HB3 -0.03 0.05 0.02 -0.04 3.06 3.07 3h7fA1 PHE 35 HD2 0.05 0.03 0.03 -0.04 7.28 7.35 3h7fA1 PHE 35 HE2 -0.01 0.01 -0.06 -0.04 7.38 7.27 3h7fA1 PHE 35 HZ -0.02 0.03 -0.01 -0.04 7.32 7.28 3h7fA1 VAL 36 H 0.28 0.05 0.03 -0.55 8.24 8.05 3h7fA1 VAL 36 HA 0.15 0.34 0.57 -0.75 4.13 4.45 3h7fA1 VAL 36 HB 0.12 -0.01 -0.01 -0.04 2.12 2.17 3h7fA1 VAL 36 HG13 0.09 -0.01 -0.26 -0.04 0.97 0.75 3h7fA1 VAL 36 HG23 0.16 -0.01 -0.11 -0.04 0.95 0.95 3h7fA1 PRO 37 HA 0.18 0.18 0.58 -0.51 4.44 4.87 3h7fA1 PRO 37 HB2 0.04 -0.15 0.08 -0.04 2.28 2.22 3h7fA1 PRO 37 HB3 0.08 0.16 0.14 -0.04 2.02 2.35 3h7fA1 PRO 37 HG2 0.05 -0.20 0.06 -0.04 2.03 1.90 3h7fA1 PRO 37 HG3 0.06 0.15 0.08 -0.04 2.03 2.28 3h7fA1 PRO 37 HD2 0.10 0.01 0.26 -0.04 3.68 4.00 3h7fA1 PRO 37 HD3 0.12 0.39 0.27 -0.04 3.65 4.38 3h7fA1 ARG 38 H 0.08 0.22 0.15 -0.55 8.46 8.36 3h7fA1 ARG 38 HA 0.13 0.09 0.44 -0.75 4.34 4.25 3h7fA1 ARG 38 HB2 -0.69 0.06 0.12 -0.04 1.90 1.35 3h7fA1 ARG 38 HB3 -0.35 -0.03 0.12 -0.04 1.80 1.50 3h7fA1 ARG 38 HG2 -0.33 -0.01 -0.26 -0.04 1.67 1.03 3h7fA1 ARG 38 HG3 -0.44 0.04 -0.02 -0.04 1.67 1.20 3h7fA1 ARG 38 HD2 -2.54 0.02 -0.03 -0.04 3.22 0.63 3h7fA1 ARG 38 HD3 -0.77 -0.02 -0.03 -0.04 3.22 2.36 3h7fA1 ALA 39 H -0.05 0.11 -0.21 -0.55 8.40 7.70 3h7fA1 ALA 39 HA -0.05 0.10 0.29 -0.75 4.34 3.93 3h7fA1 ALA 39 HB3 -0.04 0.02 0.03 -0.04 1.41 1.38 3h7fA1 VAL 40 H 0.03 0.26 -0.32 -0.55 8.24 7.66 3h7fA1 VAL 40 HA 0.01 0.04 0.67 -0.75 4.13 4.10 3h7fA1 VAL 40 HB 0.06 0.17 0.08 -0.04 2.12 2.39 3h7fA1 VAL 40 HG13 0.03 -0.02 -0.11 -0.04 0.97 0.83 3h7fA1 VAL 40 HG23 0.02 0.01 0.03 -0.04 0.95 0.98 3h7fA1 LEU 41 H 0.06 0.40 -0.10 -0.55 8.37 8.19 3h7fA1 LEU 41 HA 0.04 -0.01 0.44 -0.75 4.35 4.07 3h7fA1 LEU 41 HB2 0.09 0.18 0.12 -0.04 1.64 1.98 3h7fA1 LEU 41 HB3 0.05 -0.01 -0.02 -0.04 1.64 1.62 3h7fA1 LEU 41 HG 0.10 0.08 -0.07 -0.04 1.64 1.70 3h7fA1 LEU 41 HD13 0.02 -0.00 -0.03 -0.04 0.93 0.87 3h7fA1 LEU 41 HD23 -0.00 -0.02 -0.04 -0.04 0.89 0.79 3h7fA1 GLN 42 H 0.02 0.42 -0.20 -0.55 8.47 8.17 3h7fA1 GLN 42 HA 0.03 0.08 0.38 -0.75 4.36 4.09 3h7fA1 GLN 42 HB2 -0.01 0.01 0.12 -0.04 2.15 2.23 3h7fA1 GLN 42 HB3 -0.00 0.03 0.04 -0.04 2.02 2.05 3h7fA1 GLN 42 HG2 0.02 0.16 0.04 -0.04 2.40 2.58 3h7fA1 GLN 42 HG3 -0.01 0.06 0.00 -0.04 2.39 2.40 3h7fA1 GLN 42 HE21 -0.05 -0.13 -0.13 -0.04 6.97 6.62 3h7fA1 GLN 42 HE22 -0.02 0.33 -0.19 -0.04 7.69 7.78 3h7fA1 ALA 43 H 0.01 0.39 -0.16 -0.55 8.40 8.09 3h7fA1 ALA 43 HA 0.02 -0.02 0.44 -0.75 4.34 4.02 3h7fA1 ALA 43 HB3 0.01 0.00 0.07 -0.04 1.41 1.45 3h7fA1 GLN 44 H 0.03 0.60 -0.14 -0.55 8.47 8.41 3h7fA1 GLN 44 HA 0.09 -0.07 0.35 -0.75 4.36 3.97 3h7fA1 GLN 44 HB2 0.03 0.11 0.09 -0.04 2.15 2.35 3h7fA1 GLN 44 HB3 0.04 -0.06 0.04 -0.04 2.02 2.00 3h7fA1 GLN 44 HG2 -0.03 -0.08 -0.07 -0.04 2.40 2.18 3h7fA1 GLN 44 HG3 0.01 0.15 0.05 -0.04 2.39 2.56 3h7fA1 GLN 44 HE21 -0.00 -0.12 0.01 -0.04 6.97 6.81 3h7fA1 GLN 44 HE22 0.01 0.08 -0.03 -0.04 7.69 7.71 3h7fA1 GLY 45 H 0.04 0.45 -0.35 -0.55 8.43 8.02 3h7fA1 GLY 45 HA2 0.03 0.07 0.70 -0.51 4.01 4.29 3h7fA1 GLY 45 HA3 0.02 0.01 0.35 -0.51 4.01 3.88 3h7fA1 SER 46 H 0.05 0.31 -0.39 -0.55 8.46 7.88 3h7fA1 SER 46 HA -0.00 0.17 0.61 -0.75 4.49 4.52 3h7fA1 SER 46 HB2 0.00 -0.15 0.16 -0.04 3.95 3.92 3h7fA1 SER 46 HB3 0.02 0.21 0.15 -0.04 3.93 4.27 3h7fA1 VAL 47 H -0.02 0.18 0.16 -0.55 8.24 8.02 3h7fA1 VAL 47 HA -0.06 0.16 0.44 -0.75 4.13 3.92 3h7fA1 VAL 47 HB -0.02 0.00 0.16 -0.04 2.12 2.22 3h7fA1 VAL 47 HG13 -0.02 0.03 0.06 -0.04 0.97 1.00 3h7fA1 VAL 47 HG23 -0.01 0.00 -0.02 -0.04 0.95 0.88 3h7fA1 LEU 48 H -0.01 0.12 -0.40 -0.55 8.37 7.54 3h7fA1 LEU 48 HA 0.00 0.08 0.48 -0.75 4.35 4.16 3h7fA1 LEU 48 HB2 0.06 0.08 -0.05 -0.04 1.64 1.68 3h7fA1 LEU 48 HB3 0.06 -0.10 -0.23 -0.04 1.64 1.33 3h7fA1 LEU 48 HG 0.03 -0.02 -0.02 -0.04 1.64 1.59 3h7fA1 LEU 48 HD13 0.01 0.00 -0.06 -0.04 0.93 0.85 3h7fA1 LEU 48 HD23 0.03 0.03 -0.08 -0.04 0.89 0.83 3h7fA1 THR 49 H -0.23 0.41 -0.28 -0.55 8.28 7.64 3h7fA1 THR 49 HA -0.38 -0.06 0.55 -0.75 4.39 3.75 3h7fA1 THR 49 HB -1.11 0.05 0.12 -0.04 4.32 3.34 3h7fA1 THR 49 HG23 -0.19 0.03 -0.05 -0.04 1.22 0.96 3h7fA1 ASN 50 H -0.09 0.48 -0.34 -0.55 8.53 8.04 3h7fA1 ASN 50 HA -0.06 0.09 0.33 -0.75 4.76 4.37 3h7fA1 ASN 50 HB2 -0.02 0.08 0.10 -0.04 2.88 3.00 3h7fA1 ASN 50 HB3 -0.01 -0.05 0.10 -0.04 2.79 2.80 3h7fA1 ASN 50 HD21 -0.03 -0.01 0.04 -0.04 7.03 6.99 3h7fA1 ASN 50 HD22 -0.02 -0.01 0.07 -0.04 7.74 7.75 3h7fA1 LYS 51 H -0.03 0.33 -0.33 -0.55 8.42 7.83 3h7fA1 LYS 51 HA 0.05 0.09 0.51 -0.75 4.32 4.22 3h7fA1 LYS 51 HB2 0.03 -0.05 0.02 -0.04 1.87 1.82 3h7fA1 LYS 51 HB3 0.01 0.00 0.09 -0.04 1.79 1.86 3h7fA1 LYS 51 HG2 0.04 -0.13 -0.09 -0.04 1.46 1.24 3h7fA1 LYS 51 HG3 0.05 0.04 -0.42 -0.04 1.46 1.10 3h7fA1 LYS 51 HD2 0.09 0.00 0.03 -0.04 1.69 1.77 3h7fA1 LYS 51 HD3 0.05 -0.04 -0.04 -0.04 1.68 1.61 3h7fA1 LYS 51 HE2 0.05 0.10 -0.22 -0.04 2.99 2.88 3h7fA1 LYS 51 HE3 0.07 -0.05 -0.22 -0.04 2.99 2.76 3h7fA1 TYR 52 H 0.20 0.18 0.19 -0.55 8.29 8.31 3h7fA1 TYR 52 HA 0.01 0.12 0.76 -0.75 4.56 4.69 3h7fA1 TYR 52 HB2 0.16 0.05 0.19 -0.04 3.06 3.42 3h7fA1 TYR 52 HB3 0.20 -0.05 0.07 -0.04 2.98 3.16 3h7fA1 TYR 52 HD2 0.01 -0.05 0.04 -0.04 7.15 7.11 3h7fA1 TYR 52 HE2 0.02 -0.07 0.06 -0.04 6.85 6.82 3h7fA1 ALA 53 H 0.00 0.21 0.07 -0.55 8.40 8.13 3h7fA1 ALA 53 HA -0.02 0.19 0.78 -0.75 4.34 4.53 3h7fA1 ALA 53 HB3 -0.04 0.00 -0.09 -0.04 1.41 1.24 3h7fA1 GLU 54 H -0.21 0.06 -0.07 -0.55 8.60 7.84 3h7fA1 GLU 54 HA -0.76 0.13 0.47 -0.75 4.29 3.38 3h7fA1 GLU 54 HB2 -0.87 -0.08 0.08 -0.04 2.09 1.18 3h7fA1 GLU 54 HB3 -1.41 0.10 -0.04 -0.04 1.99 0.60 3h7fA1 GLU 54 HG2 -0.36 0.07 -0.22 -0.04 2.34 1.80 3h7fA1 GLU 54 HG3 -0.10 -0.12 0.00 -0.04 2.34 2.09 3h7fA1 GLY 55 H -1.11 0.19 0.20 -0.55 8.43 7.16 3h7fA1 GLY 55 HA2 -0.09 0.05 0.29 -0.51 4.01 3.74 3h7fA1 GLY 55 HA3 -0.13 0.19 0.87 -0.51 4.01 4.43 3h7fA1 LEU 56 H -0.01 0.51 0.08 -0.55 8.37 8.41 3h7fA1 LEU 56 HA -0.04 0.14 0.70 -0.75 4.35 4.39 3h7fA1 LEU 56 HB2 0.03 0.02 0.00 -0.04 1.64 1.65 3h7fA1 LEU 56 HB3 0.02 0.05 0.06 -0.04 1.64 1.72 3h7fA1 LEU 56 HG 0.05 0.00 -0.28 -0.04 1.64 1.36 3h7fA1 LEU 56 HD13 0.07 -0.00 -0.03 -0.04 0.93 0.93 3h7fA1 LEU 56 HD23 0.03 0.00 0.06 -0.04 0.89 0.94 3h7fA1 PRO 57 HA -0.01 -0.05 0.44 -0.51 4.44 4.30 3h7fA1 PRO 57 HB2 -0.00 0.05 0.08 -0.04 2.28 2.37 3h7fA1 PRO 57 HB3 -0.01 0.03 0.11 -0.04 2.02 2.11 3h7fA1 PRO 57 HG2 -0.02 0.04 0.02 -0.04 2.03 2.03 3h7fA1 PRO 57 HG3 -0.02 0.02 0.08 -0.04 2.03 2.06 3h7fA1 PRO 57 HD2 -0.01 0.12 0.18 -0.04 3.68 3.93 3h7fA1 PRO 57 HD3 -0.03 0.15 0.15 -0.04 3.65 3.88 3h7fA1 GLY 58 H -0.00 0.07 0.13 -0.55 8.43 8.07 3h7fA1 GLY 58 HA2 0.00 -0.04 0.33 -0.51 4.01 3.80 3h7fA1 GLY 58 HA3 0.01 0.13 0.38 -0.51 4.01 4.03 3h7fA1 ARG 59 H 0.01 0.56 -0.53 -0.55 8.46 7.96 3h7fA1 ARG 59 HA 0.04 0.13 0.67 -0.75 4.34 4.42 3h7fA1 ARG 60 H 0.03 0.07 -0.04 -0.55 8.46 7.97 3h7fA1 ARG 60 HA -0.01 0.24 0.84 -0.75 4.34 4.65 3h7fA1 ARG 60 HB2 0.03 0.05 -0.01 -0.04 1.90 1.93 3h7fA1 ARG 60 HB3 -0.01 -0.03 0.03 -0.04 1.80 1.74 3h7fA1 ARG 60 HG2 -0.01 -0.06 -0.16 -0.04 1.67 1.40 3h7fA1 ARG 60 HG3 -0.01 -0.11 -0.09 -0.04 1.67 1.42 3h7fA1 ARG 60 HD2 -0.08 -0.04 -0.31 -0.04 3.22 2.76 3h7fA1 ARG 60 HD3 -0.09 0.06 -0.54 -0.04 3.22 2.61 3h7fA1 TYR 61 H 0.01 0.51 0.17 -0.55 8.29 8.42 3h7fA1 TYR 61 HA -0.04 0.08 0.50 -0.75 4.56 4.35 3h7fA1 TYR 61 HB2 -0.52 -0.05 0.12 -0.04 3.06 2.57 3h7fA1 TYR 61 HB3 -0.48 -0.01 -0.05 -0.04 2.98 2.39 3h7fA1 TYR 61 HD2 -0.14 -0.01 -0.09 -0.04 7.15 6.87 3h7fA1 TYR 61 HE2 0.13 0.02 -0.05 -0.04 6.85 6.90 3h7fA1 TYR 62 H 0.07 0.09 -0.08 -0.55 8.29 7.82 3h7fA1 TYR 62 HA 0.05 0.19 0.81 -0.75 4.56 4.85 3h7fA1 TYR 62 HB2 0.06 0.08 0.03 -0.04 3.06 3.19 3h7fA1 TYR 62 HB3 0.04 -0.00 0.09 -0.04 2.98 3.06 3h7fA1 TYR 62 HD2 0.06 0.14 -0.15 -0.04 7.15 7.16 3h7fA1 TYR 62 HE2 -0.09 0.01 -0.02 -0.04 6.85 6.71 3h7fA1 GLY 63 H 0.12 0.11 0.12 -0.55 8.43 8.23 3h7fA1 GLY 63 HA2 0.06 0.09 0.57 -0.51 4.01 4.21 3h7fA1 GLY 63 HA3 0.04 0.04 0.37 -0.51 4.01 3.95 3h7fA1 GLY 64 H 0.01 0.13 0.15 -0.55 8.43 8.18 3h7fA1 GLY 64 HA2 -0.01 0.01 0.35 -0.51 4.01 3.85 3h7fA1 GLY 64 HA3 0.02 0.18 0.42 -0.51 4.01 4.11 3h7fA1 CYS 65 H 0.00 0.15 -0.22 -0.55 8.50 7.88 3h7fA1 CYS 65 HA 0.00 0.17 0.54 -0.75 4.58 4.54 3h7fA1 CYS 65 HB2 0.01 0.03 -0.01 -0.04 2.97 2.96 3h7fA1 CYS 65 HB3 -0.00 -0.09 0.06 -0.04 2.97 2.90 3h7fA1 GLU 66 H -0.12 0.12 -0.35 -0.55 8.60 7.71 3h7fA1 GLU 66 HA -0.08 0.07 0.27 -0.75 4.29 3.79 3h7fA1 GLU 66 HB2 -0.18 0.07 0.02 -0.04 2.09 1.96 3h7fA1 GLU 66 HB3 -0.13 0.01 0.07 -0.04 1.99 1.90 3h7fA1 GLU 66 HG2 -0.96 -0.09 0.00 -0.04 2.34 1.26 3h7fA1 GLU 66 HG3 -0.45 0.07 -0.02 -0.04 2.34 1.90 3h7fA1 HIS 67 H -0.26 0.14 -0.17 -0.55 8.41 7.57 3h7fA1 HIS 67 HA -0.00 0.15 0.57 -0.75 4.63 4.59 3h7fA1 HIS 67 HB2 0.00 0.02 0.06 -0.04 3.26 3.30 3h7fA1 HIS 67 HB3 -0.00 0.04 0.04 -0.04 3.20 3.24 3h7fA1 HIS 67 HD2 0.00 0.05 0.01 -0.04 6.97 6.99 3h7fA1 HIS 67 HE1 0.00 0.04 -0.03 -0.04 7.75 7.72 3h7fA1 VAL 68 H 0.05 0.12 -0.09 -0.55 8.24 7.77 3h7fA1 VAL 68 HA 0.04 0.06 0.43 -0.75 4.13 3.91 3h7fA1 VAL 68 HB 0.01 0.01 0.03 -0.04 2.12 2.13 3h7fA1 VAL 68 HG13 0.04 0.01 -0.00 -0.04 0.97 0.98 3h7fA1 VAL 68 HG23 0.01 0.01 -0.07 -0.04 0.95 0.86 3h7fA1 ASP 69 H -0.00 0.53 -0.29 -0.55 8.40 8.09 3h7fA1 ASP 69 HA -0.01 0.03 0.52 -0.75 4.63 4.41 3h7fA1 ASP 69 HB2 -0.02 0.16 0.07 -0.04 2.71 2.87 3h7fA1 ASP 69 HB3 -0.01 -0.02 -0.01 -0.04 2.70 2.62 3h7fA1 VAL 70 H 0.02 0.33 -0.15 -0.55 8.24 7.89 3h7fA1 VAL 70 HA 0.00 0.05 0.51 -0.75 4.13 3.94 3h7fA1 VAL 70 HB 0.04 0.07 0.13 -0.04 2.12 2.32 3h7fA1 VAL 70 HG13 0.01 -0.01 -0.03 -0.04 0.97 0.91 3h7fA1 VAL 70 HG23 0.03 0.07 0.10 -0.04 0.95 1.10 3h7fA1 VAL 71 H 0.02 0.41 -0.14 -0.55 8.24 7.98 3h7fA1 VAL 71 HA -0.00 0.04 0.47 -0.75 4.13 3.88 3h7fA1 VAL 71 HB 0.01 0.12 0.16 -0.04 2.12 2.36 3h7fA1 VAL 71 HG13 -0.01 -0.00 -0.16 -0.04 0.97 0.77 3h7fA1 VAL 71 HG23 0.02 0.03 0.02 -0.04 0.95 0.98 3h7fA1 GLU 72 H -0.01 0.52 -0.11 -0.55 8.60 8.46 3h7fA1 GLU 72 HA -0.03 0.02 0.41 -0.75 4.29 3.94 3h7fA1 GLU 72 HB2 -0.03 0.03 0.09 -0.04 2.09 2.14 3h7fA1 GLU 72 HB3 -0.03 0.06 0.14 -0.04 1.99 2.12 3h7fA1 GLU 72 HG2 -0.04 0.00 -0.10 -0.04 2.34 2.16 3h7fA1 GLU 72 HG3 -0.05 -0.07 0.04 -0.04 2.34 2.23 3h7fA1 ASN 73 H -0.02 0.54 -0.16 -0.55 8.53 8.34 3h7fA1 ASN 73 HA -0.03 -0.01 0.55 -0.75 4.76 4.52 3h7fA1 ASN 73 HB2 -0.01 0.12 0.19 -0.04 2.88 3.13 3h7fA1 ASN 73 HB3 -0.01 -0.02 0.04 -0.04 2.79 2.75 3h7fA1 ASN 73 HD21 -0.00 -0.03 -0.04 -0.04 7.03 6.92 3h7fA1 ASN 73 HD22 -0.00 -0.00 -0.05 -0.04 7.74 7.64 3h7fA1 LEU 74 H -0.02 0.56 -0.13 -0.55 8.37 8.24 3h7fA1 LEU 74 HA -0.02 0.02 0.45 -0.75 4.35 4.04 3h7fA1 LEU 74 HB2 -0.02 0.11 0.18 -0.04 1.64 1.87 3h7fA1 LEU 74 HB3 -0.03 -0.03 0.02 -0.04 1.64 1.56 3h7fA1 LEU 74 HG -0.01 0.13 0.06 -0.04 1.64 1.78 3h7fA1 LEU 74 HD13 -0.01 -0.02 -0.03 -0.04 0.93 0.83 3h7fA1 LEU 74 HD23 -0.02 -0.01 0.00 -0.04 0.89 0.82 3h7fA1 ALA 75 H -0.03 0.48 -0.12 -0.55 8.40 8.18 3h7fA1 ALA 75 HA -0.04 0.04 0.44 -0.75 4.34 4.02 3h7fA1 ALA 75 HB3 -0.04 0.02 0.07 -0.04 1.41 1.42 3h7fA1 ARG 76 H -0.05 0.58 -0.07 -0.55 8.46 8.37 3h7fA1 ARG 76 HA -0.09 -0.03 0.33 -0.75 4.34 3.80 3h7fA1 ARG 76 HB2 -0.06 0.06 0.13 -0.04 1.90 1.99 3h7fA1 ARG 76 HB3 -0.10 -0.04 -0.03 -0.04 1.80 1.59 3h7fA1 ARG 76 HG2 -0.11 -0.14 -0.04 -0.04 1.67 1.34 3h7fA1 ARG 76 HG3 -0.06 0.21 0.03 -0.04 1.67 1.81 3h7fA1 ARG 76 HD2 -0.12 0.09 0.09 -0.04 3.22 3.24 3h7fA1 ARG 76 HD3 -0.08 -0.09 0.06 -0.04 3.22 3.08 3h7fA1 ASP 77 H -0.04 0.68 -0.07 -0.55 8.40 8.42 3h7fA1 ASP 77 HA -0.03 0.01 0.44 -0.75 4.63 4.30 3h7fA1 ASP 77 HB2 -0.03 0.09 0.15 -0.04 2.71 2.88 3h7fA1 ASP 77 HB3 -0.02 -0.03 0.04 -0.04 2.70 2.64 3h7fA1 ARG 78 H -0.04 0.59 -0.16 -0.55 8.46 8.30 3h7fA1 ARG 78 HA -0.06 0.02 0.44 -0.75 4.34 3.99 3h7fA1 ARG 78 HB2 -0.06 0.08 0.11 -0.04 1.90 1.99 3h7fA1 ARG 78 HB3 -0.08 -0.02 -0.06 -0.04 1.80 1.60 3h7fA1 ARG 78 HG2 -0.06 -0.04 -0.00 -0.04 1.67 1.53 3h7fA1 ARG 78 HG3 -0.04 0.04 0.08 -0.04 1.67 1.71 3h7fA1 ARG 78 HD2 -0.05 -0.01 -0.06 -0.04 3.22 3.06 3h7fA1 ARG 78 HD3 -0.06 -0.00 -0.04 -0.04 3.22 3.08 3h7fA1 ALA 79 H -0.04 0.49 -0.21 -0.55 8.40 8.09 3h7fA1 ALA 79 HA 0.01 0.05 0.45 -0.75 4.34 4.10 3h7fA1 ALA 79 HB3 0.02 0.01 0.02 -0.04 1.41 1.41 3h7fA1 LYS 80 H -0.03 0.55 -0.14 -0.55 8.42 8.25 3h7fA1 LYS 80 HA 0.03 -0.10 0.36 -0.75 4.32 3.86 3h7fA1 LYS 80 HB2 -0.02 0.09 0.11 -0.04 1.87 2.01 3h7fA1 LYS 80 HB3 0.00 0.11 -0.06 -0.04 1.79 1.80 3h7fA1 LYS 80 HG2 -0.02 -0.10 -0.40 -0.04 1.46 0.90 3h7fA1 LYS 80 HG3 -0.07 0.07 -0.11 -0.04 1.46 1.31 3h7fA1 LYS 80 HD2 -0.04 -0.19 -0.09 -0.04 1.69 1.33 3h7fA1 LYS 80 HD3 -0.03 -0.01 -0.10 -0.04 1.68 1.50 3h7fA1 LYS 80 HE2 0.00 0.00 -0.04 -0.04 2.99 2.91 3h7fA1 LYS 80 HE3 0.03 0.12 -0.16 -0.04 2.99 2.93 3h7fA1 ALA 81 H -0.03 0.48 -0.18 -0.55 8.40 8.12 3h7fA1 ALA 81 HA -0.02 0.03 0.48 -0.75 4.34 4.07 3h7fA1 ALA 81 HB3 -0.04 0.00 0.06 -0.04 1.41 1.39 3h7fA1 LEU 82 H -0.13 0.64 -0.04 -0.55 8.37 8.29 3h7fA1 LEU 82 HA -0.20 0.06 0.52 -0.75 4.35 3.98 3h7fA1 LEU 82 HB2 -0.29 0.03 0.12 -0.04 1.64 1.47 3h7fA1 LEU 82 HB3 -0.51 -0.02 0.13 -0.04 1.64 1.19 3h7fA1 LEU 82 HG -0.97 -0.03 -0.17 -0.04 1.64 0.43 3h7fA1 LEU 82 HD13 -0.28 0.03 -0.03 -0.04 0.93 0.61 3h7fA1 LEU 82 HD23 -0.60 -0.01 -0.04 -0.04 0.89 0.21 3h7fA1 PHE 83 H -0.02 0.38 -0.24 -0.55 8.34 7.91 3h7fA1 PHE 83 HA -0.02 0.19 0.63 -0.75 4.62 4.67 3h7fA1 PHE 83 HB2 -0.05 0.10 0.02 -0.04 3.15 3.18 3h7fA1 PHE 83 HB3 -0.04 -0.13 0.03 -0.04 3.06 2.87 3h7fA1 PHE 83 HD2 -0.05 0.05 -0.05 -0.04 7.28 7.18 3h7fA1 PHE 83 HE2 -0.07 0.00 -0.07 -0.04 7.38 7.21 3h7fA1 PHE 83 HZ -0.09 -0.01 -0.10 -0.04 7.32 7.09 3h7fA1 GLY 84 H 0.03 0.30 -0.29 -0.55 8.43 7.93 3h7fA1 GLY 84 HA2 0.02 0.06 0.30 -0.51 4.01 3.88 3h7fA1 GLY 84 HA3 0.04 -0.01 0.44 -0.51 4.01 3.97 3h7fA1 ALA 85 H 0.06 0.27 0.01 -0.55 8.40 8.20 3h7fA1 ALA 85 HA 0.04 0.16 0.65 -0.75 4.34 4.44 3h7fA1 ALA 85 HB3 0.04 -0.02 -0.02 -0.04 1.41 1.36 3h7fA1 GLU 86 H 0.07 0.16 0.15 -0.55 8.60 8.44 3h7fA1 GLU 86 HA 0.05 0.16 0.52 -0.75 4.29 4.27 3h7fA1 GLU 86 HB2 0.09 -0.04 0.30 -0.04 2.09 2.40 3h7fA1 GLU 86 HB3 0.06 -0.04 0.15 -0.04 1.99 2.12 3h7fA1 GLU 86 HG2 0.03 0.09 0.04 -0.04 2.34 2.46 3h7fA1 GLU 86 HG3 0.04 0.09 0.08 -0.04 2.34 2.50 3h7fA1 PHE 87 H 0.15 0.25 0.09 -0.55 8.34 8.28 3h7fA1 PHE 87 HA 0.00 0.00 0.74 -0.75 4.62 4.61 3h7fA1 PHE 87 HB2 0.01 0.00 -0.23 -0.04 3.15 2.88 3h7fA1 PHE 87 HB3 0.02 0.06 -0.28 -0.04 3.06 2.82 3h7fA1 PHE 87 HD2 0.01 -0.03 -0.20 -0.04 7.28 7.02 3h7fA1 PHE 87 HE2 0.00 0.01 -0.18 -0.04 7.38 7.18 3h7fA1 PHE 87 HZ 0.00 -0.03 -0.15 -0.04 7.32 7.10 3h7fA1 ALA 88 H -0.75 0.28 0.16 -0.55 8.40 7.55 3h7fA1 ALA 88 HA -0.53 0.23 0.77 -0.75 4.34 4.05 3h7fA1 ALA 88 HB3 -0.20 0.01 -0.01 -0.04 1.41 1.17 3h7fA1 ASN 89 H -0.32 0.64 0.26 -0.55 8.53 8.58 3h7fA1 ASN 89 HA -0.18 0.12 0.68 -0.75 4.76 4.63 3h7fA1 ASN 89 HB2 0.04 0.06 -0.02 -0.04 2.88 2.91 3h7fA1 ASN 89 HB3 -0.03 -0.02 0.09 -0.04 2.79 2.80 3h7fA1 ASN 89 HD21 0.02 0.07 0.04 -0.04 7.03 7.13 3h7fA1 ASN 89 HD22 0.10 0.02 0.03 -0.04 7.74 7.85 3h7fA1 VAL 90 H -0.09 0.18 0.09 -0.55 8.24 7.86 3h7fA1 VAL 90 HA -0.08 0.19 0.73 -0.75 4.13 4.22 3h7fA1 VAL 90 HB -0.06 0.04 0.12 -0.04 2.12 2.18 3h7fA1 VAL 90 HG13 -0.08 -0.01 -0.29 -0.04 0.97 0.55 3h7fA1 VAL 90 HG23 -0.06 0.01 -0.03 -0.04 0.95 0.82 3h7fA1 GLN 91 H -0.07 0.01 -0.14 -0.55 8.47 7.72 3h7fA1 GLN 91 HA -0.08 0.17 0.72 -0.75 4.36 4.42 3h7fA1 GLN 91 HB2 -0.08 0.01 -0.00 -0.04 2.15 2.04 3h7fA1 GLN 91 HB3 -0.12 0.00 0.02 -0.04 2.02 1.88 3h7fA1 GLN 91 HG2 -0.08 -0.02 -0.04 -0.04 2.40 2.23 3h7fA1 GLN 91 HG3 -0.07 -0.12 -0.01 -0.04 2.39 2.16 3h7fA1 GLN 91 HE21 -0.12 0.57 0.20 -0.04 6.97 7.57 3h7fA1 GLN 91 HE22 -0.07 -0.15 0.04 -0.04 7.69 7.47 3h7fA1 PRO 92 HA -0.17 0.04 0.27 -0.51 4.44 4.07 3h7fA1 PRO 92 HB2 -0.05 -0.09 -0.19 -0.04 2.28 1.91 3h7fA1 PRO 92 HB3 -0.06 -0.04 -0.16 -0.04 2.02 1.73 3h7fA1 PRO 92 HG2 -0.06 0.01 -0.16 -0.04 2.03 1.78 3h7fA1 PRO 92 HG3 -0.07 0.09 -0.09 -0.04 2.03 1.93 3h7fA1 PRO 92 HD2 -0.07 0.21 -0.23 -0.04 3.68 3.55 3h7fA1 PRO 92 HD3 -0.07 -0.03 -0.12 -0.04 3.65 3.39 3h7fA1 HIS 93 H -0.16 0.12 0.14 -0.55 8.41 7.97 3h7fA1 HIS 93 HA -0.03 0.18 0.46 -0.75 4.63 4.49 3h7fA1 HIS 93 HB2 -0.00 -0.08 0.06 -0.04 3.26 3.20 3h7fA1 HIS 93 HB3 -0.01 0.02 0.12 -0.04 3.20 3.29 3h7fA1 HIS 93 HD2 0.00 -0.01 0.02 -0.04 6.97 6.93 3h7fA1 HIS 93 HE1 -0.03 0.15 0.09 -0.04 7.75 7.91 3h7fA1 SER 94 H 0.05 0.18 -0.26 -0.55 8.46 7.88 3h7fA1 SER 94 HA 0.09 0.16 0.40 -0.75 4.49 4.38 3h7fA1 SER 94 HB2 0.09 -0.03 0.06 -0.04 3.95 4.03 3h7fA1 SER 94 HB3 0.07 0.28 -0.31 -0.04 3.93 3.93 3h7fA1 GLY 95 H 0.09 0.23 0.05 -0.55 8.43 8.26 3h7fA1 GLY 95 HA2 -0.04 0.19 0.42 -0.51 4.01 4.07 3h7fA1 GLY 95 HA3 -0.05 0.07 0.26 -0.51 4.01 3.77 3h7fA1 ALA 96 H 0.08 0.13 -0.11 -0.55 8.40 7.96 3h7fA1 ALA 96 HA 0.20 0.08 0.43 -0.75 4.34 4.29 3h7fA1 ALA 96 HB3 0.22 0.03 0.01 -0.04 1.41 1.63 3h7fA1 GLN 97 H 0.08 0.03 -0.34 -0.55 8.47 7.70 3h7fA1 GLN 97 HA -0.02 0.14 0.42 -0.75 4.36 4.15 3h7fA1 GLN 97 HB2 0.05 -0.13 0.04 -0.04 2.15 2.07 3h7fA1 GLN 97 HB3 -0.03 0.05 -0.00 -0.04 2.02 1.99 3h7fA1 GLN 97 HG2 0.13 0.04 -0.02 -0.04 2.40 2.50 3h7fA1 GLN 97 HG3 0.03 0.15 -0.02 -0.04 2.39 2.50 3h7fA1 GLN 97 HE21 0.13 -0.01 -0.15 -0.04 6.97 6.90 3h7fA1 GLN 97 HE22 -0.00 0.10 -0.11 -0.04 7.69 7.64 3h7fA1 ALA 98 H 0.01 0.36 -0.24 -0.55 8.40 7.98 3h7fA1 ALA 98 HA -0.04 0.07 0.45 -0.75 4.34 4.07 3h7fA1 ALA 98 HB3 -0.04 0.03 0.08 -0.04 1.41 1.44 3h7fA1 ASN 99 H 0.07 0.43 -0.16 -0.55 8.53 8.33 3h7fA1 ASN 99 HA 0.06 0.03 0.41 -0.75 4.76 4.51 3h7fA1 ASN 99 HB2 0.27 0.04 0.11 -0.04 2.88 3.26 3h7fA1 ASN 99 HB3 0.26 0.07 -0.04 -0.04 2.79 3.04 3h7fA1 ASN 99 HD21 0.11 -0.08 -0.12 -0.04 7.03 6.89 3h7fA1 ASN 99 HD22 0.16 -0.08 -0.11 -0.04 7.74 7.67 3h7fA1 ALA 100 H 0.02 0.48 -0.12 -0.55 8.40 8.23 3h7fA1 ALA 100 HA -0.31 0.01 0.35 -0.75 4.34 3.63 3h7fA1 ALA 100 HB3 -0.65 0.01 0.03 -0.04 1.41 0.76 3h7fA1 ALA 101 H -0.07 0.38 -0.32 -0.55 8.40 7.85 3h7fA1 ALA 101 HA -0.09 0.13 0.38 -0.75 4.34 4.01 3h7fA1 ALA 101 HB3 -0.07 0.01 -0.05 -0.04 1.41 1.26 3h7fA1 VAL 102 H -0.00 0.45 -0.12 -0.55 8.24 8.02 3h7fA1 VAL 102 HA -0.01 0.02 0.35 -0.75 4.13 3.74 3h7fA1 VAL 102 HB 0.00 0.04 0.07 -0.04 2.12 2.18 3h7fA1 VAL 102 HG13 -0.06 -0.01 -0.19 -0.04 0.97 0.66 3h7fA1 VAL 102 HG23 -0.03 0.03 -0.07 -0.04 0.95 0.84 3h7fA1 LEU 103 H 0.05 0.48 -0.25 -0.55 8.37 8.10 3h7fA1 LEU 103 HA -0.07 0.01 0.29 -0.75 4.35 3.82 3h7fA1 LEU 103 HB2 0.18 0.05 -0.03 -0.04 1.64 1.80 3h7fA1 LEU 103 HB3 -0.21 0.01 -0.10 -0.04 1.64 1.30 3h7fA1 LEU 103 HG 0.12 0.16 -0.02 -0.04 1.64 1.85 3h7fA1 LEU 103 HD13 0.24 -0.01 -0.13 -0.04 0.93 0.98 3h7fA1 LEU 103 HD23 -0.08 -0.02 -0.17 -0.04 0.89 0.58 3h7fA1 HIS 104 H 0.14 0.43 -0.20 -0.55 8.41 8.23 3h7fA1 HIS 104 HA 0.06 0.07 0.47 -0.75 4.63 4.47 3h7fA1 HIS 104 HB2 -0.01 -0.01 0.09 -0.04 3.26 3.29 3h7fA1 HIS 104 HB3 -0.02 0.05 0.15 -0.04 3.20 3.33 3h7fA1 HIS 104 HD2 -0.01 0.03 -0.41 -0.04 6.97 6.53 3h7fA1 HIS 104 HE1 -0.03 0.07 0.02 -0.04 7.75 7.76 3h7fA1 ALA 105 H 0.10 0.40 -0.31 -0.55 8.40 8.05 3h7fA1 ALA 105 HA 0.12 0.04 0.37 -0.75 4.34 4.12 3h7fA1 ALA 105 HB3 0.03 -0.03 -0.11 -0.04 1.41 1.25 3h7fA1 LEU 106 H -0.01 0.32 -0.19 -0.55 8.37 7.95 3h7fA1 LEU 106 HA -0.02 0.12 0.64 -0.75 4.35 4.34 3h7fA1 LEU 106 HB2 -0.09 0.00 -0.04 -0.04 1.64 1.48 3h7fA1 LEU 106 HB3 -0.09 -0.04 0.05 -0.04 1.64 1.52 3h7fA1 LEU 106 HG -0.10 0.14 -0.07 -0.04 1.64 1.57 3h7fA1 LEU 106 HD13 -0.19 -0.05 -0.14 -0.04 0.93 0.51 3h7fA1 LEU 106 HD23 -0.23 -0.00 -0.16 -0.04 0.89 0.46 3h7fA1 MET 107 H -0.03 0.52 -0.08 -0.55 8.47 8.34 3h7fA1 MET 107 HA -0.03 0.09 0.64 -0.75 4.52 4.46 3h7fA1 MET 107 HB2 -0.08 -0.08 0.07 -0.04 2.15 2.01 3h7fA1 MET 107 HB3 -0.11 0.02 -0.31 -0.04 2.03 1.58 3h7fA1 MET 107 HG2 -0.26 0.11 -0.08 -0.04 2.63 2.36 3h7fA1 MET 107 HG3 -0.41 0.04 -0.30 -0.04 2.56 1.85 3h7fA1 MET 107 HE3 -0.18 0.03 -0.36 -0.04 2.10 1.55 3h7fA1 SER 108 H 0.03 0.11 0.13 -0.55 8.46 8.18 3h7fA1 SER 108 HA 0.06 0.23 0.81 -0.75 4.49 4.84 3h7fA1 SER 108 HB2 0.03 -0.05 0.03 -0.04 3.95 3.92 3h7fA1 SER 108 HB3 0.02 0.06 0.08 -0.04 3.93 4.04 3h7fA1 PRO 109 HA 0.03 0.14 0.50 -0.51 4.44 4.60 3h7fA1 PRO 109 HB2 -0.02 -0.02 0.09 -0.04 2.28 2.28 3h7fA1 PRO 109 HB3 -0.09 0.08 0.16 -0.04 2.02 2.14 3h7fA1 PRO 109 HG2 -0.04 0.01 0.09 -0.04 2.03 2.05 3h7fA1 PRO 109 HG3 -0.06 0.02 0.07 -0.04 2.03 2.02 3h7fA1 PRO 109 HD2 0.00 0.07 0.20 -0.04 3.68 3.92 3h7fA1 PRO 109 HD3 0.03 0.18 0.19 -0.04 3.65 4.00 3h7fA1 GLY 110 H 0.07 0.56 0.40 -0.55 8.43 8.92 3h7fA1 GLY 110 HA2 0.05 -0.01 0.36 -0.51 4.01 3.90 3h7fA1 GLY 110 HA3 0.03 0.09 0.66 -0.51 4.01 4.28 3h7fA1 GLU 111 H 0.14 0.46 -0.18 -0.55 8.60 8.47 3h7fA1 GLU 111 HA 0.00 0.13 0.64 -0.75 4.29 4.31 3h7fA1 GLU 111 HB2 0.04 0.06 0.12 -0.04 2.09 2.27 3h7fA1 GLU 111 HB3 -0.02 -0.06 0.17 -0.04 1.99 2.04 3h7fA1 GLU 111 HG2 -0.00 0.02 0.02 -0.04 2.34 2.34 3h7fA1 GLU 111 HG3 0.03 0.10 -0.05 -0.04 2.34 2.38 3h7fA1 ARG 112 H -0.07 0.13 0.23 -0.55 8.46 8.19 3h7fA1 ARG 112 HA 0.05 0.00 0.69 -0.75 4.34 4.32 3h7fA1 ARG 112 HB2 -0.32 0.00 0.20 -0.04 1.90 1.74 3h7fA1 ARG 112 HB3 -0.69 0.00 -0.05 -0.04 1.80 1.02 3h7fA1 ARG 112 HG2 -0.14 0.00 -0.04 -0.04 1.67 1.44 3h7fA1 ARG 112 HG3 -0.16 -0.07 0.06 -0.04 1.67 1.46 3h7fA1 ARG 112 HD2 -1.08 0.00 -0.04 -0.04 3.22 2.07 3h7fA1 ARG 112 HD3 -0.25 0.00 0.01 -0.04 3.22 2.94 3h7fA1 LEU 113 H 0.16 0.69 0.32 -0.55 8.37 9.00 3h7fA1 LEU 113 HA 0.01 0.17 0.90 -0.75 4.35 4.68 3h7fA1 LEU 113 HB2 -0.07 0.01 -0.13 -0.04 1.64 1.41 3h7fA1 LEU 113 HB3 0.04 0.02 -0.01 -0.04 1.64 1.66 3h7fA1 LEU 113 HG -0.02 0.00 -0.34 -0.04 1.64 1.24 3h7fA1 LEU 113 HD13 -0.07 0.02 -0.11 -0.04 0.93 0.72 3h7fA1 LEU 113 HD23 0.05 -0.00 -0.21 -0.04 0.89 0.68 3h7fA1 LEU 114 H 0.08 0.59 0.31 -0.55 8.37 8.81 3h7fA1 LEU 114 HA -0.08 0.33 0.96 -0.75 4.35 4.80 3h7fA1 LEU 114 HB2 0.30 0.03 -0.08 -0.04 1.64 1.85 3h7fA1 LEU 114 HB3 0.17 -0.00 0.16 -0.04 1.64 1.92 3h7fA1 LEU 114 HG 0.34 -0.06 -0.28 -0.04 1.64 1.60 3h7fA1 LEU 114 HD13 0.03 0.02 -0.35 -0.04 0.93 0.60 3h7fA1 LEU 114 HD23 0.18 0.00 -0.13 -0.04 0.89 0.89 3h7fA1 GLY 115 H -0.18 0.53 0.34 -0.55 8.43 8.57 3h7fA1 GLY 115 HA2 0.05 0.20 0.82 -0.51 4.01 4.57 3h7fA1 GLY 115 HA3 -0.01 0.11 0.33 -0.51 4.01 3.93 3h7fA1 LEU 116 H -0.17 0.17 0.15 -0.55 8.37 7.97 3h7fA1 LEU 116 HA -0.71 0.13 0.66 -0.75 4.35 3.68 3h7fA1 LEU 116 HB2 -0.16 0.02 0.09 -0.04 1.64 1.54 3h7fA1 LEU 116 HB3 0.06 -0.06 0.10 -0.04 1.64 1.69 3h7fA1 LEU 116 HG -0.01 0.01 -0.35 -0.04 1.64 1.24 3h7fA1 LEU 116 HD13 -0.03 0.04 -0.14 -0.04 0.93 0.76 3h7fA1 LEU 116 HD23 0.09 0.03 -0.25 -0.04 0.89 0.72 3h7fA1 ASP 117 H -0.10 0.58 0.31 -0.55 8.40 8.64 3h7fA1 ASP 117 HA -0.32 0.06 0.42 -0.75 4.63 4.04 3h7fA1 ASP 117 HB2 -0.08 0.21 0.13 -0.04 2.71 2.93 3h7fA1 ASP 117 HB3 -0.07 -0.06 0.18 -0.04 2.70 2.70 3h7fA1 LEU 118 H -0.25 0.22 0.07 -0.55 8.37 7.87 3h7fA1 LEU 118 HA -0.04 0.12 0.38 -0.75 4.35 4.06 3h7fA1 LEU 118 HB2 -0.14 0.02 0.02 -0.04 1.64 1.50 3h7fA1 LEU 118 HB3 -0.12 0.03 0.02 -0.04 1.64 1.52 3h7fA1 LEU 118 HG -0.07 0.05 -0.10 -0.04 1.64 1.49 3h7fA1 LEU 118 HD13 -0.09 0.05 -0.23 -0.04 0.93 0.62 3h7fA1 LEU 118 HD23 -0.09 -0.00 -0.05 -0.04 0.89 0.71 3h7fA1 ALA 119 H -0.12 0.11 -0.15 -0.55 8.40 7.69 3h7fA1 ALA 119 HA -0.04 0.14 0.36 -0.75 4.34 4.04 3h7fA1 ALA 119 HB3 -0.06 0.03 0.03 -0.04 1.41 1.36 3h7fA1 ASN 120 H -0.04 0.10 -0.62 -0.55 8.53 7.43 3h7fA1 ASN 120 HA 0.02 0.00 0.74 -0.75 4.76 4.77 3h7fA1 ASN 120 HB2 -0.02 0.03 0.05 -0.04 2.88 2.91 3h7fA1 ASN 120 HB3 0.02 0.00 0.12 -0.04 2.79 2.89 3h7fA1 ASN 120 HD21 -0.02 0.08 -0.07 -0.04 7.03 6.99 3h7fA1 ASN 120 HD22 -0.05 -0.06 -0.05 -0.04 7.74 7.53 3h7fA1 GLY 121 H 0.01 0.37 -0.21 -0.55 8.43 8.06 3h7fA1 GLY 121 HA2 0.06 0.03 0.29 -0.51 4.01 3.88 3h7fA1 GLY 121 HA3 0.08 0.32 0.80 -0.51 4.01 4.71 3h7fA1 GLY 122 H 0.05 0.44 -0.11 -0.55 8.43 8.26 3h7fA1 GLY 122 HA2 0.27 0.01 0.47 -0.51 4.01 4.26 3h7fA1 GLY 122 HA3 0.15 0.37 0.07 -0.51 4.01 4.09 3h7fA1 HIS 123 H -0.08 0.16 0.05 -0.55 8.41 7.99 3h7fA1 HIS 123 HA -0.10 0.20 0.72 -0.75 4.63 4.70 3h7fA1 HIS 123 HB2 -0.26 0.05 -0.07 -0.04 3.26 2.94 3h7fA1 HIS 123 HB3 -1.01 -0.02 -0.08 -0.04 3.20 2.05 3h7fA1 HIS 123 HD2 0.01 0.09 0.00 -0.04 6.97 7.02 3h7fA1 HIS 123 HE1 -0.02 0.03 -0.04 -0.04 7.75 7.68 3h7fA1 LEU 124 H -0.88 0.21 0.09 -0.55 8.37 7.25 3h7fA1 LEU 124 HA -0.19 0.10 0.41 -0.75 4.35 3.92 3h7fA1 LEU 124 HB2 -0.19 0.01 0.09 -0.04 1.64 1.51 3h7fA1 LEU 124 HB3 -0.27 0.09 0.10 -0.04 1.64 1.52 3h7fA1 LEU 124 HG -0.69 -0.10 0.05 -0.04 1.64 0.86 3h7fA1 LEU 124 HD13 -0.13 0.01 -0.17 -0.04 0.93 0.61 3h7fA1 LEU 124 HD23 -0.15 0.03 0.00 -0.04 0.89 0.73 3h7fA1 THR 125 H -0.02 0.06 -0.33 -0.55 8.28 7.45 3h7fA1 THR 125 HA -0.24 0.10 0.52 -0.75 4.39 4.01 3h7fA1 THR 125 HB 0.13 0.10 0.08 -0.04 4.32 4.59 3h7fA1 THR 125 HG23 0.04 -0.02 -0.03 -0.04 1.22 1.17 3h7fA1 HIS 126 H -0.01 0.37 -0.56 -0.55 8.41 7.67 3h7fA1 HIS 126 HA 0.06 0.23 0.67 -0.75 4.63 4.84 3h7fA1 HIS 126 HB2 0.10 0.16 0.01 -0.04 3.26 3.48 3h7fA1 HIS 126 HB3 0.08 0.01 0.09 -0.04 3.20 3.33 3h7fA1 HIS 126 HD2 0.08 0.14 -0.57 -0.04 6.97 6.58 3h7fA1 HIS 126 HE1 0.09 -0.02 -0.35 -0.04 7.75 7.43 3h7fA1 GLY 127 H 0.08 0.01 -0.32 -0.55 8.43 7.65 3h7fA1 GLY 127 HA2 0.13 0.16 -0.20 -0.51 4.01 3.59 3h7fA1 GLY 127 HA3 0.27 0.22 0.63 -0.51 4.01 4.62 3h7fA1 MET 128 H 0.01 0.20 0.09 -0.55 8.47 8.23 3h7fA1 MET 128 HA 0.01 0.08 0.32 -0.75 4.52 4.18 3h7fA1 MET 128 HB2 -0.07 -0.02 0.13 -0.04 2.15 2.15 3h7fA1 MET 128 HB3 -0.08 -0.01 0.18 -0.04 2.03 2.08 3h7fA1 MET 128 HG2 -0.05 -0.02 0.09 -0.04 2.63 2.62 3h7fA1 MET 128 HG3 -0.07 0.04 0.03 -0.04 2.56 2.51 3h7fA1 MET 128 HE3 -0.04 0.05 -0.01 -0.04 2.10 2.07 3h7fA1 ARG 129 H 0.00 0.10 0.17 -0.55 8.46 8.19 3h7fA1 ARG 129 HA 0.04 0.19 0.17 -0.75 4.34 3.98 3h7fA1 LEU 130 H -0.02 -0.06 -0.20 -0.55 8.37 7.53 3h7fA1 LEU 130 HA -0.00 0.26 0.67 -0.75 4.35 4.52 3h7fA1 LEU 130 HB2 -0.02 -0.08 0.02 -0.04 1.64 1.51 3h7fA1 LEU 130 HB3 -0.01 0.03 0.06 -0.04 1.64 1.69 3h7fA1 LEU 130 HG -0.01 -0.07 -0.04 -0.04 1.64 1.47 3h7fA1 LEU 130 HD13 -0.01 0.00 -0.02 -0.04 0.93 0.87 3h7fA1 LEU 130 HD23 -0.00 0.04 -0.10 -0.04 0.89 0.78 3h7fA1 ASN 131 H -0.05 0.13 -0.19 -0.55 8.53 7.86 3h7fA1 ASN 131 HA -0.06 0.12 0.55 -0.75 4.76 4.62 3h7fA1 ASN 131 HB2 -0.15 -0.05 0.01 -0.04 2.88 2.65 3h7fA1 ASN 131 HB3 -0.18 0.14 0.08 -0.04 2.79 2.79 3h7fA1 ASN 131 HD21 -0.47 0.01 -0.02 -0.04 7.03 6.51 3h7fA1 ASN 131 HD22 -0.14 0.08 0.01 -0.04 7.74 7.65 3h7fA1 PHE 132 H 0.00 0.13 0.10 -0.55 8.34 8.02 3h7fA1 PHE 132 HA -0.01 0.14 0.38 -0.75 4.62 4.38 3h7fA1 PHE 132 HB2 0.03 0.11 -0.01 -0.04 3.15 3.23 3h7fA1 PHE 132 HB3 0.03 0.05 0.09 -0.04 3.06 3.19 3h7fA1 PHE 132 HD2 0.12 0.07 -0.16 -0.04 7.28 7.26 3h7fA1 PHE 132 HE2 0.10 0.01 -0.14 -0.04 7.38 7.31 3h7fA1 PHE 132 HZ 0.09 0.00 -0.01 -0.04 7.32 7.36 3h7fA1 SER 133 H -0.56 -0.04 -0.39 -0.55 8.46 6.93 3h7fA1 SER 133 HA 0.40 0.14 0.24 -0.75 4.49 4.52 3h7fA1 SER 133 HB2 0.12 0.10 -0.24 -0.04 3.95 3.89 3h7fA1 SER 133 HB3 -0.10 0.04 -0.07 -0.04 3.93 3.75 3h7fA1 GLY 134 H -0.01 0.25 -0.43 -0.55 8.43 7.68 3h7fA1 GLY 134 HA2 0.09 0.15 0.50 -0.51 4.01 4.24 3h7fA1 GLY 134 HA3 0.05 0.05 -0.13 -0.51 4.01 3.48 3h7fA1 LYS 135 H 0.01 0.37 -0.10 -0.55 8.42 8.14 3h7fA1 LYS 135 HA -0.00 0.09 0.35 -0.75 4.32 4.01 3h7fA1 LYS 135 HB2 0.01 -0.08 0.00 -0.04 1.87 1.76 3h7fA1 LYS 135 HB3 -0.01 -0.03 -0.07 -0.04 1.79 1.64 3h7fA1 LYS 135 HG2 0.01 0.13 -0.16 -0.04 1.46 1.40 3h7fA1 LYS 135 HG3 0.02 -0.07 -0.16 -0.04 1.46 1.21 3h7fA1 LYS 135 HD2 0.01 -0.05 -0.01 -0.04 1.69 1.59 3h7fA1 LYS 135 HD3 0.01 0.04 0.02 -0.04 1.68 1.70 3h7fA1 LYS 135 HE2 0.01 0.01 0.10 -0.04 2.99 3.07 3h7fA1 LYS 135 HE3 0.01 -0.05 0.01 -0.04 2.99 2.93 3h7fA1 LEU 136 H -0.15 0.40 -0.18 -0.55 8.37 7.89 3h7fA1 LEU 136 HA -0.20 0.13 0.64 -0.75 4.35 4.18 3h7fA1 LEU 136 HB2 -1.14 0.07 -0.05 -0.04 1.64 0.47 3h7fA1 LEU 136 HB3 -0.70 -0.06 -0.01 -0.04 1.64 0.83 3h7fA1 LEU 136 HG -0.10 -0.01 0.02 -0.04 1.64 1.51 3h7fA1 LEU 136 HD13 -0.10 -0.01 -0.06 -0.04 0.93 0.72 3h7fA1 LEU 136 HD23 -0.09 0.00 -0.08 -0.04 0.89 0.68 3h7fA1 TYR 137 H -0.08 0.20 -0.34 -0.55 8.29 7.52 3h7fA1 TYR 137 HA 0.03 0.03 0.79 -0.75 4.56 4.66 3h7fA1 TYR 137 HB2 0.05 0.12 -0.09 -0.04 3.06 3.10 3h7fA1 TYR 137 HB3 0.04 0.14 -0.02 -0.04 2.98 3.09 3h7fA1 TYR 137 HD2 0.06 0.10 -0.14 -0.04 7.15 7.13 3h7fA1 TYR 137 HE2 0.11 -0.05 -0.43 -0.04 6.85 6.45 3h7fA1 GLU 138 H 0.16 0.55 0.04 -0.55 8.60 8.81 3h7fA1 GLU 138 HA 0.11 0.11 0.78 -0.75 4.29 4.53 3h7fA1 GLU 138 HB2 0.08 0.05 0.02 -0.04 2.09 2.20 3h7fA1 GLU 138 HB3 0.09 -0.03 -0.03 -0.04 1.99 1.98 3h7fA1 GLU 138 HG2 0.22 -0.04 -0.19 -0.04 2.34 2.29 3h7fA1 GLU 138 HG3 0.15 -0.00 -0.04 -0.04 2.34 2.40 3h7fA1 ASN 139 H 0.09 0.16 0.18 -0.55 8.53 8.42 3h7fA1 ASN 139 HA -0.04 0.20 0.57 -0.75 4.76 4.73 3h7fA1 ASN 139 HB2 0.02 -0.07 0.10 -0.04 2.88 2.89 3h7fA1 ASN 139 HB3 -0.48 -0.01 0.01 -0.04 2.79 2.27 3h7fA1 ASN 139 HD21 0.14 0.44 -0.07 -0.04 7.03 7.50 3h7fA1 ASN 139 HD22 -0.02 -0.03 -0.13 -0.04 7.74 7.52 3h7fA1 GLY 140 H -0.35 0.74 0.46 -0.55 8.43 8.73 3h7fA1 GLY 140 HA2 -0.55 0.09 0.56 -0.51 4.01 3.60 3h7fA1 GLY 140 HA3 -1.34 0.04 0.39 -0.51 4.01 2.59 3h7fA1 PHE 141 H -0.14 0.22 0.18 -0.55 8.34 8.05 3h7fA1 PHE 141 HA -0.11 0.29 1.07 -0.75 4.62 5.11 3h7fA1 PHE 141 HB2 -0.09 -0.04 0.03 -0.04 3.15 3.01 3h7fA1 PHE 141 HB3 -0.12 -0.03 0.11 -0.04 3.06 2.98 3h7fA1 PHE 141 HD2 -0.09 0.03 -0.28 -0.04 7.28 6.90 3h7fA1 PHE 141 HE2 -0.02 0.04 -0.22 -0.04 7.38 7.14 3h7fA1 PHE 141 HZ -0.01 0.17 -0.16 -0.04 7.32 7.28 3h7fA1 TYR 142 H -0.17 0.43 0.23 -0.55 8.29 8.22 3h7fA1 TYR 142 HA 0.04 0.18 0.58 -0.75 4.56 4.61 3h7fA1 TYR 142 HB2 0.03 -0.06 0.12 -0.04 3.06 3.11 3h7fA1 TYR 142 HB3 0.04 0.07 0.05 -0.04 2.98 3.09 3h7fA1 TYR 142 HD2 0.07 0.08 -0.17 -0.04 7.15 7.08 3h7fA1 TYR 142 HE2 0.14 0.06 -0.13 -0.04 6.85 6.89 3h7fA1 GLY 143 H 0.19 0.17 0.08 -0.55 8.43 8.34 3h7fA1 GLY 143 HA2 0.03 0.10 0.75 -0.51 4.01 4.38 3h7fA1 GLY 143 HA3 0.05 0.07 0.29 -0.51 4.01 3.91 3h7fA1 VAL 144 H 0.05 0.17 0.10 -0.55 8.24 8.01 3h7fA1 VAL 144 HA 0.07 0.10 0.75 -0.75 4.13 4.29 3h7fA1 VAL 144 HB 0.11 -0.01 -0.43 -0.04 2.12 1.75 3h7fA1 VAL 144 HG13 0.13 0.00 -0.18 -0.04 0.97 0.88 3h7fA1 VAL 144 HG23 0.09 0.02 -0.18 -0.04 0.95 0.84 3h7fA1 ASP 145 H 0.02 0.59 0.19 -0.55 8.40 8.64 3h7fA1 ASP 145 HA -0.03 0.14 0.54 -0.75 4.63 4.53 3h7fA1 ASP 145 HB2 -0.02 0.02 0.18 -0.04 2.71 2.85 3h7fA1 ASP 145 HB3 -0.04 -0.10 0.23 -0.04 2.70 2.75 3h7fA1 PRO 146 HA -0.21 0.12 0.35 -0.51 4.44 4.19 3h7fA1 PRO 146 HB2 -0.08 0.07 -0.02 -0.04 2.28 2.21 3h7fA1 PRO 146 HB3 -0.06 0.05 0.11 -0.04 2.02 2.09 3h7fA1 PRO 146 HG2 -0.05 0.02 0.10 -0.04 2.03 2.05 3h7fA1 PRO 146 HG3 -0.03 0.07 0.09 -0.04 2.03 2.12 3h7fA1 PRO 146 HD2 -0.04 0.02 0.27 -0.04 3.68 3.89 3h7fA1 PRO 146 HD3 -0.03 0.26 0.26 -0.04 3.65 4.09 3h7fA1 ALA 147 H -0.13 -0.02 -0.28 -0.55 8.40 7.42 3h7fA1 ALA 147 HA -0.13 0.22 0.65 -0.75 4.34 4.33 3h7fA1 ALA 147 HB3 -0.06 -0.00 0.04 -0.04 1.41 1.35 3h7fA1 THR 148 H -0.12 -0.04 -0.02 -0.55 8.28 7.55 3h7fA1 THR 148 HA -0.02 0.26 0.62 -0.75 4.39 4.50 3h7fA1 THR 148 HB -0.01 0.07 0.07 -0.04 4.32 4.41 3h7fA1 THR 148 HG23 -0.03 0.01 -0.02 -0.04 1.22 1.13 3h7fA1 HIS 149 H -0.26 0.36 -0.12 -0.55 8.41 7.84 3h7fA1 HIS 149 HA 0.01 0.09 0.19 -0.75 4.63 4.17 3h7fA1 HIS 149 HB2 -0.05 0.16 0.09 -0.04 3.26 3.43 3h7fA1 HIS 149 HB3 -0.03 -0.05 0.16 -0.04 3.20 3.23 3h7fA1 HIS 149 HD2 -0.01 -0.05 -0.04 -0.04 6.97 6.82 3h7fA1 HIS 149 HE1 -0.02 0.03 -0.04 -0.04 7.75 7.68 3h7fA1 LEU 150 H 0.03 -0.01 -0.28 -0.55 8.37 7.56 3h7fA1 LEU 150 HA 0.23 0.18 0.74 -0.75 4.35 4.75 3h7fA1 LEU 150 HB2 0.03 -0.08 -0.09 -0.04 1.64 1.46 3h7fA1 LEU 150 HB3 0.08 0.03 0.00 -0.04 1.64 1.72 3h7fA1 LEU 150 HG 0.01 0.08 -0.19 -0.04 1.64 1.49 3h7fA1 LEU 150 HD13 -0.02 0.00 -0.03 -0.04 0.93 0.85 3h7fA1 LEU 150 HD23 -0.07 0.03 -0.12 -0.04 0.89 0.69 3h7fA1 ILE 151 H 0.23 0.17 0.08 -0.55 8.25 8.18 3h7fA1 ILE 151 HA 0.05 0.12 0.65 -0.75 4.18 4.24 3h7fA1 ILE 151 HB -0.03 -0.03 0.10 -0.04 1.89 1.90 3h7fA1 ILE 151 HG12 0.05 0.13 -0.09 -0.04 1.49 1.54 3h7fA1 ILE 151 HG13 -0.25 -0.01 -0.04 -0.04 1.21 0.87 3h7fA1 ILE 151 HG23 -0.04 -0.00 -0.20 -0.04 0.93 0.65 3h7fA1 ILE 151 HD13 -0.22 0.00 -0.06 -0.04 0.88 0.56 3h7fA1 ASP 152 H -0.01 0.22 0.20 -0.55 8.40 8.26 3h7fA1 ASP 152 HA -0.04 0.15 0.72 -0.75 4.63 4.70 3h7fA1 ASP 152 HB2 -0.02 0.08 0.10 -0.04 2.71 2.83 3h7fA1 ASP 152 HB3 -0.02 0.00 0.23 -0.04 2.70 2.86 3h7fA1 MET 153 H -0.10 0.28 0.14 -0.55 8.47 8.25 3h7fA1 MET 153 HA -0.26 0.06 0.31 -0.75 4.52 3.87 3h7fA1 MET 153 HB2 -0.15 0.05 0.07 -0.04 2.15 2.09 3h7fA1 MET 153 HB3 -0.25 0.05 0.04 -0.04 2.03 1.83 3h7fA1 MET 153 HG2 -0.16 0.08 0.04 -0.04 2.63 2.54 3h7fA1 MET 153 HG3 -0.22 0.01 0.03 -0.04 2.56 2.34 3h7fA1 MET 153 HE3 -1.16 0.01 -0.12 -0.04 2.10 0.80 3h7fA1 ASP 154 H -0.08 0.09 -0.16 -0.55 8.40 7.70 3h7fA1 ASP 154 HA -0.07 0.16 0.65 -0.75 4.63 4.62 3h7fA1 ASP 154 HB2 -0.04 -0.03 -0.00 -0.04 2.71 2.60 3h7fA1 ASP 154 HB3 -0.04 0.09 0.02 -0.04 2.70 2.73 3h7fA1 ALA 155 H -0.06 0.10 -0.21 -0.55 8.40 7.68 3h7fA1 ALA 155 HA -0.03 0.12 0.55 -0.75 4.34 4.23 3h7fA1 ALA 155 HB3 -0.02 0.04 0.10 -0.04 1.41 1.50 3h7fA1 VAL 156 H -0.13 0.38 -0.01 -0.55 8.24 7.93 3h7fA1 VAL 156 HA -0.09 0.04 0.43 -0.75 4.13 3.76 3h7fA1 VAL 156 HB -0.36 0.03 0.06 -0.04 2.12 1.82 3h7fA1 VAL 156 HG13 -0.46 0.01 -0.14 -0.04 0.97 0.34 3h7fA1 VAL 156 HG23 -0.41 0.02 -0.05 -0.04 0.95 0.46 3h7fA1 ARG 157 H -0.12 0.39 -0.29 -0.55 8.46 7.89 3h7fA1 ARG 157 HA -0.07 0.03 0.39 -0.75 4.34 3.94 3h7fA1 ARG 157 HB2 -0.09 0.02 0.14 -0.04 1.90 1.92 3h7fA1 ARG 157 HB3 -0.06 0.11 0.17 -0.04 1.80 1.98 3h7fA1 ARG 157 HG2 -0.03 0.03 -0.18 -0.04 1.67 1.45 3h7fA1 ARG 157 HG3 -0.04 -0.01 0.03 -0.04 1.67 1.61 3h7fA1 ARG 157 HD2 -0.05 -0.04 -0.02 -0.04 3.22 3.07 3h7fA1 ARG 157 HD3 -0.04 -0.02 -0.00 -0.04 3.22 3.11 3h7fA1 ALA 158 H -0.03 0.38 -0.17 -0.55 8.40 8.03 3h7fA1 ALA 158 HA -0.00 0.05 0.35 -0.75 4.34 3.99 3h7fA1 ALA 158 HB3 -0.01 0.01 0.12 -0.04 1.41 1.49 3h7fA1 THR 159 H 0.00 0.41 -0.19 -0.55 8.28 7.96 3h7fA1 THR 159 HA 0.05 0.03 0.42 -0.75 4.39 4.14 3h7fA1 THR 159 HB 0.04 0.07 0.14 -0.04 4.32 4.53 3h7fA1 THR 159 HG23 0.04 0.01 -0.14 -0.04 1.22 1.08 3h7fA1 ALA 160 H 0.03 0.55 -0.08 -0.55 8.40 8.36 3h7fA1 ALA 160 HA 0.14 -0.01 0.46 -0.75 4.34 4.18 3h7fA1 ALA 160 HB3 0.04 0.01 0.03 -0.04 1.41 1.45 3h7fA1 LEU 161 H 0.03 0.49 -0.15 -0.55 8.37 8.19 3h7fA1 LEU 161 HA 0.02 0.08 0.45 -0.75 4.35 4.14 3h7fA1 LEU 161 HB2 0.01 0.06 0.10 -0.04 1.64 1.77 3h7fA1 LEU 161 HB3 0.01 -0.03 0.03 -0.04 1.64 1.61 3h7fA1 LEU 161 HG 0.00 0.08 0.04 -0.04 1.64 1.72 3h7fA1 LEU 161 HD13 -0.00 -0.04 -0.07 -0.04 0.93 0.78 3h7fA1 LEU 161 HD23 0.00 -0.00 -0.04 -0.04 0.89 0.81 3h7fA1 GLU 162 H 0.06 0.28 -0.27 -0.55 8.60 8.12 3h7fA1 GLU 162 HA 0.05 0.04 0.55 -0.75 4.29 4.18 3h7fA1 GLU 162 HB2 0.05 -0.04 0.10 -0.04 2.09 2.16 3h7fA1 GLU 162 HB3 0.08 0.08 0.24 -0.04 1.99 2.35 3h7fA1 GLU 162 HG2 0.06 -0.09 0.01 -0.04 2.34 2.27 3h7fA1 GLU 162 HG3 0.11 0.03 -0.15 -0.04 2.34 2.29 3h7fA1 PHE 163 H 0.20 0.50 0.04 -0.55 8.34 8.53 3h7fA1 PHE 163 HA 0.01 0.04 0.27 -0.75 4.62 4.18 3h7fA1 PHE 163 HB2 0.02 -0.07 0.05 -0.04 3.15 3.11 3h7fA1 PHE 163 HB3 0.01 0.02 0.04 -0.04 3.06 3.09 3h7fA1 PHE 163 HD2 0.00 -0.00 -0.12 -0.04 7.28 7.12 3h7fA1 PHE 163 HE2 -0.03 -0.01 -0.30 -0.04 7.38 7.00 3h7fA1 PHE 163 HZ -0.05 0.13 -0.30 -0.04 7.32 7.06 3h7fA1 ARG 164 H 0.06 0.46 -0.05 -0.55 8.46 8.37 3h7fA1 ARG 164 HA -0.03 0.09 0.32 -0.75 4.34 3.97 3h7fA1 ARG 164 HB2 -0.13 0.08 -0.05 -0.04 1.90 1.76 3h7fA1 ARG 164 HB3 -0.08 -0.01 0.12 -0.04 1.80 1.79 3h7fA1 ARG 164 HG2 -0.01 0.08 -0.38 -0.04 1.67 1.33 3h7fA1 ARG 164 HG3 -0.03 -0.08 -0.08 -0.04 1.67 1.44 3h7fA1 ARG 164 HD2 -0.02 -0.06 0.03 -0.04 3.22 3.13 3h7fA1 ARG 164 HD3 -0.01 0.03 0.05 -0.04 3.22 3.24 3h7fA1 PRO 165 HA -0.25 0.02 0.34 -0.51 4.44 4.04 3h7fA1 PRO 165 HB2 0.06 0.07 -0.23 -0.04 2.28 2.13 3h7fA1 PRO 165 HB3 0.22 -0.06 -0.18 -0.04 2.02 1.97 3h7fA1 PRO 165 HG2 0.05 0.03 -0.15 -0.04 2.03 1.92 3h7fA1 PRO 165 HG3 0.16 -0.07 -0.09 -0.04 2.03 1.99 3h7fA1 PRO 165 HD2 0.04 0.17 0.12 -0.04 3.68 3.97 3h7fA1 PRO 165 HD3 0.17 0.01 0.02 -0.04 3.65 3.80 3h7fA1 LYS 166 H -0.09 0.32 0.31 -0.55 8.42 8.42 3h7fA1 LYS 166 HA -0.04 0.24 0.83 -0.75 4.32 4.60 3h7fA1 LYS 166 HB2 -0.06 -0.02 0.19 -0.04 1.87 1.94 3h7fA1 LYS 166 HB3 -0.07 0.01 0.18 -0.04 1.79 1.88 3h7fA1 LYS 166 HG2 -0.06 -0.00 -0.11 -0.04 1.46 1.24 3h7fA1 LYS 166 HG3 -0.04 0.01 0.17 -0.04 1.46 1.57 3h7fA1 LYS 166 HD2 -0.03 0.01 0.10 -0.04 1.69 1.73 3h7fA1 LYS 166 HD3 -0.04 -0.12 0.10 -0.04 1.68 1.59 3h7fA1 LYS 166 HE2 -0.04 0.49 0.33 -0.04 2.99 3.73 3h7fA1 LYS 166 HE3 -0.02 -0.04 0.11 -0.04 2.99 3.00 3h7fA1 VAL 167 H -0.04 0.31 0.17 -0.55 8.24 8.13 3h7fA1 VAL 167 HA -0.04 0.24 0.80 -0.75 4.13 4.38 3h7fA1 VAL 167 HB -0.10 -0.04 0.00 -0.04 2.12 1.94 3h7fA1 VAL 167 HG13 -0.07 -0.03 -0.27 -0.04 0.97 0.56 3h7fA1 VAL 167 HG23 -0.10 -0.00 -0.24 -0.04 0.95 0.57 3h7fA1 ILE 168 H 0.01 0.70 0.25 -0.55 8.25 8.65 3h7fA1 ILE 168 HA 0.08 0.21 0.95 -0.75 4.18 4.67 3h7fA1 ILE 168 HB 0.09 -0.02 0.07 -0.04 1.89 1.99 3h7fA1 ILE 168 HG12 0.12 0.01 -0.09 -0.04 1.49 1.48 3h7fA1 ILE 168 HG13 0.06 0.05 -0.25 -0.04 1.21 1.03 3h7fA1 ILE 168 HG23 0.22 -0.03 -0.19 -0.04 0.93 0.89 3h7fA1 ILE 168 HD13 0.09 -0.01 -0.15 -0.04 0.88 0.77 3h7fA1 ILE 169 H 0.05 0.71 0.31 -0.55 8.25 8.77 3h7fA1 ILE 169 HA -0.10 0.35 1.08 -0.75 4.18 4.76 3h7fA1 ILE 169 HB -0.16 -0.06 0.16 -0.04 1.89 1.79 3h7fA1 ILE 169 HG12 -0.09 -0.01 -0.10 -0.04 1.49 1.25 3h7fA1 ILE 169 HG13 -0.05 0.05 -0.17 -0.04 1.21 1.00 3h7fA1 ILE 169 HG23 -0.46 -0.04 -0.23 -0.04 0.93 0.15 3h7fA1 ILE 169 HD13 -0.02 -0.00 -0.10 -0.04 0.88 0.72 3h7fA1 ALA 170 H -0.19 0.61 0.31 -0.55 8.40 8.58 3h7fA1 ALA 170 HA -0.22 0.10 0.78 -0.75 4.34 4.24 3h7fA1 ALA 170 HB3 -0.90 -0.00 0.01 -0.04 1.41 0.47 3h7fA1 GLY 171 H 0.12 0.21 0.12 -0.55 8.43 8.34 3h7fA1 GLY 171 HA2 0.12 0.06 0.41 -0.51 4.01 4.10 3h7fA1 GLY 171 HA3 0.02 0.13 0.57 -0.51 4.01 4.21 3h7fA1 TRP 172 H -0.02 0.32 0.21 -0.55 7.97 7.93 3h7fA1 TRP 172 HA 0.20 0.09 0.73 -0.75 4.62 4.89 3h7fA1 TRP 172 HB2 0.13 0.00 -0.15 -0.04 3.23 3.17 3h7fA1 TRP 172 HB3 0.09 0.10 -0.33 -0.04 3.23 3.05 3h7fA1 TRP 172 HD1 0.07 -0.05 -0.18 -0.04 7.22 7.02 3h7fA1 TRP 172 HE1 -0.05 0.01 -0.02 -0.04 10.20 10.11 3h7fA1 TRP 172 HE3 -0.02 -0.11 -0.76 -0.04 7.59 6.66 3h7fA1 TRP 172 HZ2 -0.01 0.04 -0.04 -0.04 7.44 7.39 3h7fA1 TRP 172 HZ3 -0.10 0.06 -0.16 -0.04 7.13 6.88 3h7fA1 TRP 172 HH2 0.26 -0.04 -0.06 -0.04 7.19 7.32 3h7fA1 SER 173 H 0.35 0.64 0.19 -0.55 8.46 9.09 3h7fA1 SER 173 HA 0.16 0.00 0.87 -0.75 4.49 4.77 3h7fA1 SER 173 HB2 0.19 0.00 -0.10 -0.04 3.95 4.00 3h7fA1 SER 173 HB3 0.21 0.00 0.00 -0.04 3.93 4.10 3h7fA1 ALA 174 H 0.28 0.42 0.06 -0.55 8.40 8.61 3h7fA1 ALA 174 HA -0.00 0.13 0.60 -0.75 4.34 4.31 3h7fA1 ALA 174 HB3 0.01 0.02 -0.03 -0.04 1.41 1.37 3h7fA1 TYR 175 H -0.73 0.28 -0.03 -0.55 8.29 7.26 3h7fA1 TYR 175 HA -0.40 0.22 0.57 -0.75 4.56 4.19 3h7fA1 TYR 175 HB2 -0.42 0.06 -0.12 -0.04 3.06 2.54 3h7fA1 TYR 175 HB3 -2.04 -0.06 -0.03 -0.04 2.98 0.80 3h7fA1 TYR 175 HD2 -0.47 0.12 -0.02 -0.04 7.15 6.73 3h7fA1 TYR 175 HE2 -0.08 0.05 -0.18 -0.04 6.85 6.59 3h7fA1 PRO 176 HA -0.47 0.12 0.50 -0.51 4.44 4.08 3h7fA1 PRO 176 HB2 -0.29 0.15 0.25 -0.04 2.28 2.35 3h7fA1 PRO 176 HB3 -0.29 -0.05 0.10 -0.04 2.02 1.73 3h7fA1 PRO 176 HG2 -0.43 0.06 -0.03 -0.04 2.03 1.59 3h7fA1 PRO 176 HG3 -0.30 0.09 0.02 -0.04 2.03 1.80 3h7fA1 PRO 176 HD2 -1.09 0.11 0.15 -0.04 3.68 2.81 3h7fA1 PRO 176 HD3 -0.40 0.13 0.12 -0.04 3.65 3.46 3h7fA1 ARG 177 H -1.12 0.11 -0.21 -0.55 8.46 6.69 3h7fA1 ARG 177 HA -0.22 0.15 0.82 -0.75 4.34 4.34 3h7fA1 ARG 177 HB2 -0.50 -0.04 -0.07 -0.04 1.90 1.25 3h7fA1 ARG 177 HB3 -0.17 -0.03 0.08 -0.04 1.80 1.64 3h7fA1 ARG 177 HG2 -0.42 -0.07 -0.46 -0.04 1.67 0.69 3h7fA1 ARG 177 HG3 -0.23 0.04 -0.12 -0.04 1.67 1.32 3h7fA1 ARG 177 HD2 -0.13 -0.02 -0.05 -0.04 3.22 2.97 3h7fA1 ARG 177 HD3 -0.18 0.04 -0.04 -0.04 3.22 2.99 3h7fA1 VAL 178 H -0.08 0.18 0.10 -0.55 8.24 7.90 3h7fA1 VAL 178 HA 0.03 0.08 0.51 -0.75 4.13 4.00 3h7fA1 VAL 178 HB -0.13 -0.03 0.13 -0.04 2.12 2.06 3h7fA1 VAL 178 HG13 -0.37 0.04 -0.08 -0.04 0.97 0.52 3h7fA1 VAL 178 HG23 -0.22 0.01 0.02 -0.04 0.95 0.72 3h7fA1 LEU 179 H 0.05 0.14 0.14 -0.55 8.37 8.14 3h7fA1 LEU 179 HA 0.01 0.05 0.52 -0.75 4.35 4.18 3h7fA1 LEU 179 HB2 -0.56 0.04 -0.00 -0.04 1.64 1.07 3h7fA1 LEU 179 HB3 -0.15 -0.03 -0.11 -0.04 1.64 1.32 3h7fA1 LEU 179 HG 0.33 0.07 -0.00 -0.04 1.64 1.99 3h7fA1 LEU 179 HD13 0.35 -0.01 -0.10 -0.04 0.93 1.12 3h7fA1 LEU 179 HD23 0.15 0.00 -0.05 -0.04 0.89 0.94 3h7fA1 ASP 180 H -0.04 0.13 0.08 -0.55 8.40 8.02 3h7fA1 ASP 180 HA -0.16 0.19 0.72 -0.75 4.63 4.62 3h7fA1 ASP 180 HB2 -0.08 0.13 0.09 -0.04 2.71 2.81 3h7fA1 ASP 180 HB3 -0.10 -0.05 0.21 -0.04 2.70 2.72 3h7fA1 PHE 181 H -0.24 0.37 0.01 -0.55 8.34 7.92 3h7fA1 PHE 181 HA 0.18 0.04 0.25 -0.75 4.62 4.33 3h7fA1 PHE 181 HB2 -0.19 0.09 0.01 -0.04 3.15 3.02 3h7fA1 PHE 181 HB3 0.03 0.04 -0.01 -0.04 3.06 3.08 3h7fA1 PHE 181 HD2 0.08 0.03 -0.22 -0.04 7.28 7.14 3h7fA1 PHE 181 HE2 0.23 0.13 -0.17 -0.04 7.38 7.54 3h7fA1 PHE 181 HZ 0.31 -0.01 -0.08 -0.04 7.32 7.49 3h7fA1 ALA 182 H -0.19 0.12 -0.13 -0.55 8.40 7.65 3h7fA1 ALA 182 HA -0.06 0.16 0.50 -0.75 4.34 4.19 3h7fA1 ALA 182 HB3 -0.05 0.03 0.03 -0.04 1.41 1.39 3h7fA1 ALA 183 H -0.04 0.09 -0.25 -0.55 8.40 7.65 3h7fA1 ALA 183 HA -0.04 0.09 0.51 -0.75 4.34 4.14 3h7fA1 ALA 183 HB3 -0.14 0.03 0.06 -0.04 1.41 1.32 3h7fA1 PHE 184 H 0.14 0.36 -0.14 -0.55 8.34 8.15 3h7fA1 PHE 184 HA -0.03 0.02 0.44 -0.75 4.62 4.30 3h7fA1 PHE 184 HB2 0.10 0.07 0.08 -0.04 3.15 3.36 3h7fA1 PHE 184 HB3 0.06 0.04 -0.11 -0.04 3.06 3.01 3h7fA1 PHE 184 HD2 -0.02 0.07 -0.15 -0.04 7.28 7.14 3h7fA1 PHE 184 HE2 -0.19 -0.02 -0.09 -0.04 7.38 7.04 3h7fA1 PHE 184 HZ -0.15 -0.02 -0.04 -0.04 7.32 7.06 3h7fA1 ARG 185 H 0.18 0.49 -0.19 -0.55 8.46 8.39 3h7fA1 ARG 185 HA 0.12 0.06 0.49 -0.75 4.34 4.26 3h7fA1 ARG 185 HB2 0.19 0.14 0.15 -0.04 1.90 2.34 3h7fA1 ARG 185 HB3 0.15 0.05 0.19 -0.04 1.80 2.14 3h7fA1 ARG 185 HG2 0.15 -0.02 -0.00 -0.04 1.67 1.75 3h7fA1 ARG 185 HG3 0.09 -0.07 -0.26 -0.04 1.67 1.39 3h7fA1 ARG 185 HD2 0.12 0.48 0.16 -0.04 3.22 3.95 3h7fA1 ARG 185 HD3 0.09 -0.02 0.02 -0.04 3.22 3.26 3h7fA1 SER 186 H 0.06 0.41 -0.13 -0.55 8.46 8.25 3h7fA1 SER 186 HA 0.04 0.00 0.45 -0.75 4.49 4.22 3h7fA1 SER 186 HB2 -0.01 0.00 0.16 -0.04 3.95 4.06 3h7fA1 SER 186 HB3 0.00 0.00 0.01 -0.04 3.93 3.90 3h7fA1 ILE 187 H 0.00 0.45 -0.22 -0.55 8.25 7.93 3h7fA1 ILE 187 HA -0.01 0.05 0.44 -0.75 4.18 3.90 3h7fA1 ILE 187 HB -0.03 0.08 0.11 -0.04 1.89 2.01 3h7fA1 ILE 187 HG12 -0.07 -0.02 0.01 -0.04 1.49 1.36 3h7fA1 ILE 187 HG13 -0.09 0.08 0.05 -0.04 1.21 1.22 3h7fA1 ILE 187 HG23 -0.03 0.00 -0.16 -0.04 0.93 0.70 3h7fA1 ILE 187 HD13 -0.25 -0.03 -0.11 -0.04 0.88 0.45 3h7fA1 ALA 188 H 0.07 0.53 -0.10 -0.55 8.40 8.35 3h7fA1 ALA 188 HA 0.04 0.01 0.33 -0.75 4.34 3.96 3h7fA1 ALA 188 HB3 0.07 0.06 -0.03 -0.04 1.41 1.47 3h7fA1 ASP 189 H 0.04 0.46 -0.20 -0.55 8.40 8.16 3h7fA1 ASP 189 HA 0.03 0.05 0.43 -0.75 4.63 4.39 3h7fA1 ASP 189 HB2 0.03 0.06 0.16 -0.04 2.71 2.91 3h7fA1 ASP 189 HB3 0.03 -0.03 0.01 -0.04 2.70 2.66 3h7fA1 GLU 190 H 0.02 0.36 -0.18 -0.55 8.60 8.25 3h7fA1 GLU 190 HA 0.01 -0.01 0.36 -0.75 4.29 3.89 3h7fA1 GLU 190 HB2 0.01 0.15 0.16 -0.04 2.09 2.36 3h7fA1 GLU 190 HB3 0.00 -0.03 -0.02 -0.04 1.99 1.90 3h7fA1 GLU 190 HG2 0.00 -0.05 0.06 -0.04 2.34 2.30 3h7fA1 GLU 190 HG3 0.00 0.23 0.10 -0.04 2.34 2.64 3h7fA1 VAL 191 H 0.01 0.30 -0.28 -0.55 8.24 7.73 3h7fA1 VAL 191 HA 0.00 0.17 0.80 -0.75 4.13 4.35 3h7fA1 VAL 191 HB 0.00 0.03 0.08 -0.04 2.12 2.19 3h7fA1 VAL 191 HG13 0.01 -0.01 -0.22 -0.04 0.97 0.70 3h7fA1 VAL 191 HG23 0.02 0.03 -0.08 -0.04 0.95 0.87 3h7fA1 GLY 192 H 0.01 0.26 -0.24 -0.55 8.43 7.92 3h7fA1 GLY 192 HA2 0.01 -0.03 0.31 -0.51 4.01 3.79 3h7fA1 GLY 192 HA3 0.00 0.01 0.49 -0.51 4.01 4.00 3h7fA1 ALA 193 H 0.01 0.36 -0.01 -0.55 8.40 8.22 3h7fA1 ALA 193 HA -0.01 0.27 0.73 -0.75 4.34 4.58 3h7fA1 ALA 193 HB3 0.01 -0.01 -0.20 -0.04 1.41 1.17 3h7fA1 LYS 194 H -0.02 0.56 0.29 -0.55 8.42 8.69 3h7fA1 LYS 194 HA -0.02 0.09 0.81 -0.75 4.32 4.44 3h7fA1 LYS 194 HB2 -0.09 -0.02 0.10 -0.04 1.87 1.82 3h7fA1 LYS 194 HB3 -0.16 -0.11 0.06 -0.04 1.79 1.54 3h7fA1 LYS 194 HG2 -0.03 0.17 0.13 -0.04 1.46 1.69 3h7fA1 LYS 194 HG3 -0.09 0.02 0.05 -0.04 1.46 1.40 3h7fA1 LYS 194 HD2 -0.05 -0.11 0.02 -0.04 1.69 1.51 3h7fA1 LYS 194 HD3 0.02 0.04 -0.09 -0.04 1.68 1.61 3h7fA1 LYS 194 HE2 0.04 0.11 -0.02 -0.04 2.99 3.08 3h7fA1 LYS 194 HE3 0.11 0.00 0.00 -0.04 2.99 3.06 3h7fA1 LEU 195 H -0.03 0.12 0.19 -0.55 8.37 8.10 3h7fA1 LEU 195 HA -0.01 0.31 1.00 -0.75 4.35 4.90 3h7fA1 LEU 195 HB2 0.05 0.08 0.00 -0.04 1.64 1.74 3h7fA1 LEU 195 HB3 0.02 -0.12 0.24 -0.04 1.64 1.74 3h7fA1 LEU 195 HG -0.02 -0.08 -0.32 -0.04 1.64 1.17 3h7fA1 LEU 195 HD13 -0.01 0.05 -0.12 -0.04 0.93 0.81 3h7fA1 LEU 195 HD23 0.13 0.03 -0.22 -0.04 0.89 0.79 3h7fA1 LEU 196 H -0.07 0.61 0.24 -0.55 8.37 8.61 3h7fA1 LEU 196 HA -0.10 0.29 0.89 -0.75 4.35 4.68 3h7fA1 LEU 196 HB2 -0.09 0.03 -0.03 -0.04 1.64 1.51 3h7fA1 LEU 196 HB3 -0.08 0.04 0.08 -0.04 1.64 1.64 3h7fA1 LEU 196 HG -0.10 -0.11 -0.40 -0.04 1.64 0.99 3h7fA1 LEU 196 HD13 -0.09 0.03 -0.18 -0.04 0.93 0.65 3h7fA1 LEU 196 HD23 -0.03 -0.01 -0.14 -0.04 0.89 0.67 3h7fA1 VAL 197 H -0.12 0.52 0.29 -0.55 8.24 8.38 3h7fA1 VAL 197 HA -0.11 0.31 1.01 -0.75 4.13 4.58 3h7fA1 VAL 197 HB -0.21 -0.01 0.15 -0.04 2.12 2.00 3h7fA1 VAL 197 HG13 -0.13 -0.02 -0.20 -0.04 0.97 0.58 3h7fA1 VAL 197 HG23 -0.16 -0.01 -0.08 -0.04 0.95 0.66 3h7fA1 ASP 198 H -0.11 0.60 0.19 -0.55 8.40 8.53 3h7fA1 ASP 198 HA -0.16 0.16 0.80 -0.75 4.63 4.67 3h7fA1 ASP 198 HB2 -0.03 0.06 -0.04 -0.04 2.71 2.65 3h7fA1 ASP 198 HB3 -0.02 -0.02 0.10 -0.04 2.70 2.72 3h7fA1 MET 199 H -0.36 0.65 0.21 -0.55 8.47 8.42 3h7fA1 MET 199 HA -1.22 0.12 0.79 -0.75 4.52 3.46 3h7fA1 MET 199 HB2 -1.32 -0.04 0.10 -0.04 2.15 0.84 3h7fA1 MET 199 HB3 -0.61 0.02 -0.01 -0.04 2.03 1.39 3h7fA1 MET 199 HG2 -0.44 0.15 -0.01 -0.04 2.63 2.28 3h7fA1 MET 199 HG3 -0.52 -0.03 -0.12 -0.04 2.56 1.85 3h7fA1 MET 199 HE3 -1.00 0.02 -0.12 -0.04 2.10 0.97 3h7fA1 ALA 200 H -0.36 0.09 -0.23 -0.55 8.40 7.35 3h7fA1 ALA 200 HA -0.35 0.03 0.44 -0.75 4.34 3.71 3h7fA1 ALA 200 HB3 -0.26 0.01 0.04 -0.04 1.41 1.15 3h7fA1 HIS 201 H -0.30 0.08 -0.14 -0.55 8.41 7.51 3h7fA1 HIS 201 HA -0.15 0.14 0.48 -0.75 4.63 4.35 3h7fA1 HIS 201 HB2 -0.50 0.02 0.12 -0.04 3.26 2.86 3h7fA1 HIS 201 HB3 0.06 0.03 -0.09 -0.04 3.20 3.15 3h7fA1 HIS 201 HD2 0.01 -0.08 0.08 -0.04 6.97 6.94 3h7fA1 HIS 201 HE1 0.22 -0.15 -0.26 -0.04 7.75 7.50 3h7fA1 PHE 202 H -0.65 0.18 -0.13 -0.55 8.34 7.19 3h7fA1 PHE 202 HA -0.15 0.19 0.71 -0.75 4.62 4.62 3h7fA1 PHE 202 HB2 -0.16 0.01 0.14 -0.04 3.15 3.11 3h7fA1 PHE 202 HB3 0.05 -0.00 -0.02 -0.04 3.06 3.04 3h7fA1 PHE 202 HD2 -0.85 -0.01 -0.03 -0.04 7.28 6.34 3h7fA1 PHE 202 HE2 -0.40 0.01 0.02 -0.04 7.38 6.96 3h7fA1 PHE 202 HZ 0.07 -0.02 -0.09 -0.04 7.32 7.25 3h7fA1 ALA 203 H -0.32 0.37 -0.15 -0.55 8.40 7.76 3h7fA1 ALA 203 HA -0.16 0.00 0.21 -0.75 4.34 3.64 3h7fA1 ALA 203 HB3 -0.19 0.02 0.00 -0.04 1.41 1.20 3h7fA1 GLY 204 H -0.00 0.12 -0.30 -0.55 8.43 7.70 3h7fA1 GLY 204 HA2 0.30 0.14 0.44 -0.51 4.01 4.38 3h7fA1 GLY 204 HA3 0.18 0.21 -0.17 -0.51 4.01 3.73 3h7fA1 LEU 205 H 0.09 0.14 -0.27 -0.55 8.37 7.79 3h7fA1 LEU 205 HA 0.13 0.09 0.43 -0.75 4.35 4.24 3h7fA1 LEU 205 HB2 0.24 0.09 0.07 -0.04 1.64 2.00 3h7fA1 LEU 205 HB3 0.23 0.04 -0.14 -0.04 1.64 1.74 3h7fA1 LEU 205 HG 0.09 -0.05 0.05 -0.04 1.64 1.69 3h7fA1 LEU 205 HD13 0.35 -0.01 0.03 -0.04 0.93 1.26 3h7fA1 LEU 205 HD23 0.08 0.01 -0.05 -0.04 0.89 0.90 3h7fA1 VAL 206 H 0.20 0.35 -0.14 -0.55 8.24 8.10 3h7fA1 VAL 206 HA 0.26 0.15 0.41 -0.75 4.13 4.20 3h7fA1 VAL 206 HB 0.22 0.10 0.11 -0.04 2.12 2.51 3h7fA1 VAL 206 HG13 0.26 -0.00 -0.12 -0.04 0.97 1.07 3h7fA1 VAL 206 HG23 0.27 0.03 -0.08 -0.04 0.95 1.12 3h7fA1 ALA 207 H 0.24 0.42 -0.16 -0.55 8.40 8.36 3h7fA1 ALA 207 HA -0.06 0.06 0.34 -0.75 4.34 3.93 3h7fA1 ALA 207 HB3 -0.02 0.02 0.08 -0.04 1.41 1.44 3h7fA1 ALA 208 H 0.21 0.28 -0.33 -0.55 8.40 8.02 3h7fA1 ALA 208 HA 0.14 0.17 0.64 -0.75 4.34 4.54 3h7fA1 ALA 208 HB3 0.16 -0.03 0.10 -0.04 1.41 1.61 3h7fA1 GLY 209 H 0.13 0.46 -0.47 -0.55 8.43 8.00 3h7fA1 GLY 209 HA2 0.11 0.03 0.31 -0.51 4.01 3.96 3h7fA1 GLY 209 HA3 0.08 0.04 0.55 -0.51 4.01 4.18 3h7fA1 LEU 210 H 0.14 0.52 -0.08 -0.55 8.37 8.41 3h7fA1 LEU 210 HA 0.09 0.18 0.78 -0.75 4.35 4.65 3h7fA1 LEU 210 HB2 0.12 -0.03 -0.00 -0.04 1.64 1.68 3h7fA1 LEU 210 HB3 0.09 -0.05 0.10 -0.04 1.64 1.74 3h7fA1 LEU 210 HG 0.08 0.11 -0.26 -0.04 1.64 1.53 3h7fA1 LEU 210 HD13 0.04 -0.00 -0.13 -0.04 0.93 0.80 3h7fA1 LEU 210 HD23 0.05 0.01 -0.11 -0.04 0.89 0.80 3h7fA1 HIS 211 H 0.24 0.34 -0.21 -0.55 8.41 8.24 3h7fA1 HIS 211 HA 0.12 0.12 0.47 -0.75 4.63 4.59 3h7fA1 HIS 211 HB2 0.19 -0.00 -0.13 -0.04 3.26 3.28 3h7fA1 HIS 211 HB3 0.26 -0.06 -0.17 -0.04 3.20 3.19 3h7fA1 HIS 211 HD2 0.12 0.02 -0.02 -0.04 6.97 7.05 3h7fA1 HIS 211 HE1 0.01 -0.09 0.00 -0.04 7.75 7.62 3h7fA1 PRO 212 HA 0.20 0.09 0.43 -0.51 4.44 4.65 3h7fA1 PRO 212 HB2 0.27 -0.03 -0.04 -0.04 2.28 2.43 3h7fA1 PRO 212 HB3 0.16 0.03 0.08 -0.04 2.02 2.25 3h7fA1 PRO 212 HG2 -0.09 0.00 0.05 -0.04 2.03 1.95 3h7fA1 PRO 212 HG3 0.01 0.07 0.04 -0.04 2.03 2.11 3h7fA1 PRO 212 HD2 -0.61 0.03 0.15 -0.04 3.68 3.21 3h7fA1 PRO 212 HD3 -0.10 0.20 0.06 -0.04 3.65 3.77 3h7fA1 SER 213 H 0.24 0.13 0.17 -0.55 8.46 8.45 3h7fA1 SER 213 HA 0.23 0.18 0.54 -0.75 4.49 4.69 3h7fA1 SER 213 HB2 0.16 0.16 0.12 -0.04 3.95 4.36 3h7fA1 SER 213 HB3 0.14 -0.02 0.13 -0.04 3.93 4.14 3h7fA1 PRO 214 HA -0.44 0.09 0.68 -0.51 4.44 4.26 3h7fA1 PRO 214 HB2 -0.50 -0.00 -0.03 -0.04 2.28 1.71 3h7fA1 PRO 214 HB3 -1.68 -0.02 0.03 -0.04 2.02 0.31 3h7fA1 PRO 214 HG2 -0.27 0.06 -0.01 -0.04 2.03 1.78 3h7fA1 PRO 214 HG3 -0.30 -0.01 0.01 -0.04 2.03 1.68 3h7fA1 PRO 214 HD2 -0.02 0.14 0.22 -0.04 3.68 3.97 3h7fA1 PRO 214 HD3 0.07 0.24 0.17 -0.04 3.65 4.08 3h7fA1 VAL 215 H -0.04 0.15 -0.18 -0.55 8.24 7.62 3h7fA1 VAL 215 HA -0.07 -0.01 0.14 -0.75 4.13 3.44 3h7fA1 VAL 215 HB 0.02 0.14 0.04 -0.04 2.12 2.28 3h7fA1 VAL 215 HG13 0.01 0.01 -0.30 -0.04 0.97 0.65 3h7fA1 VAL 215 HG23 -0.05 -0.01 -0.03 -0.04 0.95 0.81 3h7fA1 PRO 216 HA -0.10 0.12 0.52 -0.51 4.44 4.47 3h7fA1 PRO 216 HB2 -0.69 -0.02 -0.05 -0.04 2.28 1.49 3h7fA1 PRO 216 HB3 -0.19 0.03 0.08 -0.04 2.02 1.90 3h7fA1 PRO 216 HG2 -0.03 0.02 0.01 -0.04 2.03 1.99 3h7fA1 PRO 216 HG3 -0.04 0.10 0.02 -0.04 2.03 2.07 3h7fA1 PRO 216 HD2 0.04 0.16 -0.32 -0.04 3.68 3.53 3h7fA1 PRO 216 HD3 0.02 0.10 -0.01 -0.04 3.65 3.72 3h7fA1 HIS 217 H -0.01 0.31 -0.45 -0.55 8.41 7.72 3h7fA1 HIS 217 HA 0.06 0.13 0.44 -0.75 4.63 4.51 3h7fA1 HIS 217 HB2 0.06 0.06 -0.06 -0.04 3.26 3.29 3h7fA1 HIS 217 HB3 0.13 -0.01 -0.11 -0.04 3.20 3.16 3h7fA1 HIS 217 HD2 0.14 0.21 -0.01 -0.04 6.97 7.26 3h7fA1 HIS 217 HE1 0.09 0.01 -0.06 -0.04 7.75 7.75 3h7fA1 ALA 218 H 0.02 0.28 -0.03 -0.55 8.40 8.12 3h7fA1 ALA 218 HA 0.03 0.07 0.69 -0.75 4.34 4.38 3h7fA1 ALA 218 HB3 -0.08 0.01 -0.08 -0.04 1.41 1.21 3h7fA1 ASP 219 H -0.02 0.24 0.31 -0.55 8.40 8.38 3h7fA1 ASP 219 HA 0.10 0.03 0.69 -0.75 4.63 4.70 3h7fA1 ASP 219 HB2 -0.20 0.10 0.23 -0.04 2.71 2.80 3h7fA1 ASP 219 HB3 -0.57 -0.02 0.07 -0.04 2.70 2.14 3h7fA1 VAL 220 H -0.11 0.45 0.24 -0.55 8.24 8.27 3h7fA1 VAL 220 HA -0.03 0.15 0.81 -0.75 4.13 4.31 3h7fA1 VAL 220 HB -0.13 -0.04 0.01 -0.04 2.12 1.92 3h7fA1 VAL 220 HG13 -0.03 -0.00 -0.12 -0.04 0.97 0.77 3h7fA1 VAL 220 HG23 -0.25 -0.00 -0.24 -0.04 0.95 0.42 3h7fA1 VAL 221 H -0.07 0.77 0.35 -0.55 8.24 8.74 3h7fA1 VAL 221 HA -0.15 0.24 1.00 -0.75 4.13 4.46 3h7fA1 VAL 221 HB -0.19 -0.02 0.10 -0.04 2.12 1.97 3h7fA1 VAL 221 HG13 -0.31 0.00 -0.09 -0.04 0.97 0.54 3h7fA1 VAL 221 HG23 -0.15 -0.02 -0.23 -0.04 0.95 0.51 3h7fA1 SER 222 H -0.15 0.39 0.28 -0.55 8.46 8.43 3h7fA1 SER 222 HA -0.13 0.31 1.08 -0.75 4.49 4.99 3h7fA1 SER 222 HB2 -0.08 -0.03 0.05 -0.04 3.95 3.85 3h7fA1 SER 222 HB3 -0.07 0.05 -0.05 -0.04 3.93 3.83 3h7fA1 THR 223 H -0.15 0.56 0.34 -0.55 8.28 8.48 3h7fA1 THR 223 HA -0.25 -0.17 0.47 -0.75 4.39 3.69 3h7fA1 THR 223 HB -0.34 0.02 -0.26 -0.04 4.32 3.70 3h7fA1 THR 223 HG23 -0.23 0.02 -0.28 -0.04 1.22 0.69 3h7fA1 THR 224 H -0.28 0.03 0.19 -0.55 8.28 7.67 3h7fA1 THR 224 HA -0.17 0.17 0.91 -0.75 4.39 4.54 3h7fA1 THR 224 HB -1.11 -0.05 0.13 -0.04 4.32 3.25 3h7fA1 THR 224 HG23 -0.27 -0.07 0.09 -0.04 1.22 0.94 3h7fA1 VAL 225 H -0.03 0.43 0.11 -0.55 8.24 8.20 3h7fA1 VAL 225 HA -0.05 0.16 0.62 -0.75 4.13 4.11 3h7fA1 VAL 225 HB 0.04 0.15 -0.11 -0.04 2.12 2.16 3h7fA1 VAL 225 HG13 0.00 -0.03 -0.09 -0.04 0.97 0.81 3h7fA1 VAL 225 HG23 -0.02 -0.01 -0.34 -0.04 0.95 0.54 3h7fA1 HIS 226 H 0.03 -0.08 -0.10 -0.55 8.41 7.72 3h7fA1 HIS 226 HA -0.02 0.22 0.30 -0.75 4.63 4.38 3h7fA1 HIS 226 HB2 -0.04 0.07 -0.02 -0.04 3.26 3.24 3h7fA1 HIS 226 HB3 -0.02 0.08 -0.30 -0.04 3.20 2.92 3h7fA1 HIS 226 HD2 -0.06 0.15 0.03 -0.04 6.97 7.05 3h7fA1 HIS 226 HE1 -0.04 -0.12 0.12 -0.04 7.75 7.66 3h7fA1 THR 228 HA -0.08 0.01 0.22 -0.75 4.39 3.78 3h7fA1 THR 228 HB -0.08 -0.02 0.01 -0.04 4.32 4.19 3h7fA1 THR 228 HG23 -0.43 0.01 0.15 -0.04 1.22 0.92 3h7fA1 LEU 229 H -0.04 0.29 -0.53 -0.55 8.37 7.54 3h7fA1 LEU 229 HA 0.26 0.06 0.40 -0.75 4.35 4.31 3h7fA1 LEU 229 HB2 0.02 -0.13 -0.06 -0.04 1.64 1.43 3h7fA1 LEU 229 HB3 -0.00 0.20 -0.11 -0.04 1.64 1.69 3h7fA1 LEU 229 HG 0.01 0.01 -0.07 -0.04 1.64 1.54 3h7fA1 LEU 229 HD13 0.04 0.02 -0.06 -0.04 0.93 0.88 3h7fA1 LEU 229 HD23 0.09 -0.03 -0.08 -0.04 0.89 0.83 3h7fA1 GLY 230 H 0.05 -0.00 -0.46 -0.55 8.43 7.47 3h7fA1 GLY 230 HA2 0.08 -0.08 0.09 -0.51 4.01 3.60 3h7fA1 GLY 230 HA3 0.19 0.13 0.06 -0.51 4.01 3.88 3h7fA1 GLY 231 H 0.06 0.45 -0.09 -0.55 8.43 8.30 3h7fA1 GLY 231 HA2 0.06 0.13 0.60 -0.51 4.01 4.28 3h7fA1 GLY 231 HA3 0.04 0.04 0.15 -0.51 4.01 3.72 3h7fA1 GLY 232 H 0.03 0.13 -0.03 -0.55 8.43 8.02 3h7fA1 GLY 232 HA2 0.03 0.07 0.39 -0.51 4.01 3.98 3h7fA1 GLY 232 HA3 0.01 0.05 0.20 -0.51 4.01 3.76 3h7fA1 ARG 233 H -0.05 0.13 0.10 -0.55 8.46 8.09 3h7fA1 ARG 233 HA -0.28 -0.08 0.33 -0.75 4.34 3.55 3h7fA1 ARG 233 HB2 -0.23 0.02 0.14 -0.04 1.90 1.80 3h7fA1 ARG 233 HB3 -0.14 0.04 0.20 -0.04 1.80 1.85 3h7fA1 ARG 233 HG2 -0.25 0.02 -0.06 -0.04 1.67 1.34 3h7fA1 ARG 233 HG3 -0.94 -0.07 0.05 -0.04 1.67 0.67 3h7fA1 ARG 233 HD2 -0.13 0.04 0.03 -0.04 3.22 3.12 3h7fA1 ARG 233 HD3 -0.16 -0.04 0.01 -0.04 3.22 2.99 3h7fA1 SER 234 H 0.32 0.09 0.33 -0.55 8.46 8.65 3h7fA1 SER 234 HA 0.05 0.30 0.38 -0.75 4.49 4.47 3h7fA1 SER 234 HB2 0.01 0.13 0.02 -0.04 3.95 4.07 3h7fA1 SER 234 HB3 -0.01 0.12 -0.27 -0.04 3.93 3.73 3h7fA1 GLY 235 H 0.01 0.58 -0.10 -0.55 8.43 8.38 3h7fA1 GLY 235 HA2 -0.04 0.17 0.86 -0.51 4.01 4.49 3h7fA1 GLY 235 HA3 -0.02 -0.03 0.06 -0.51 4.01 3.51 3h7fA1 LEU 236 H -0.08 0.36 0.26 -0.55 8.37 8.37 3h7fA1 LEU 236 HA -0.08 0.16 0.70 -0.75 4.35 4.38 3h7fA1 LEU 236 HB2 -0.06 0.11 -0.29 -0.04 1.64 1.36 3h7fA1 LEU 236 HB3 -0.10 -0.06 -0.25 -0.04 1.64 1.19 3h7fA1 LEU 236 HG -0.12 -0.04 -0.38 -0.04 1.64 1.05 3h7fA1 LEU 236 HD13 -0.07 0.03 -0.09 -0.04 0.93 0.76 3h7fA1 LEU 236 HD23 -0.01 0.00 -0.19 -0.04 0.89 0.66 3h7fA1 ILE 237 H -0.10 0.62 0.33 -0.55 8.25 8.55 3h7fA1 ILE 237 HA -0.10 0.26 0.99 -0.75 4.18 4.58 3h7fA1 ILE 237 HB -0.02 -0.06 0.12 -0.04 1.89 1.89 3h7fA1 ILE 237 HG12 -0.05 0.00 -0.01 -0.04 1.49 1.39 3h7fA1 ILE 237 HG13 -0.05 -0.13 -0.34 -0.04 1.21 0.64 3h7fA1 ILE 237 HG23 0.04 0.00 -0.17 -0.04 0.93 0.76 3h7fA1 ILE 237 HD13 -0.01 0.02 -0.05 -0.04 0.88 0.80 3h7fA1 VAL 238 H -0.11 0.61 0.33 -0.55 8.24 8.53 3h7fA1 VAL 238 HA -0.10 0.21 0.80 -0.75 4.13 4.29 3h7fA1 VAL 238 HB -0.04 0.04 0.11 -0.04 2.12 2.19 3h7fA1 VAL 238 HG13 -0.08 -0.01 -0.21 -0.04 0.97 0.64 3h7fA1 VAL 238 HG23 -0.17 0.00 -0.10 -0.04 0.95 0.65 3h7fA1 GLY 239 H 0.14 0.43 0.26 -0.55 8.43 8.72 3h7fA1 GLY 239 HA2 0.06 0.12 0.35 -0.51 4.01 4.03 3h7fA1 GLY 239 HA3 0.15 0.11 0.54 -0.51 4.01 4.30 3h7fA1 LYS 240 H 0.18 0.65 0.31 -0.55 8.42 9.01 3h7fA1 LYS 240 HA 0.08 0.00 0.62 -0.75 4.32 4.26 3h7fA1 LYS 240 HB2 0.22 0.00 0.19 -0.04 1.87 2.24 3h7fA1 LYS 240 HB3 0.03 0.00 0.14 -0.04 1.79 1.92 3h7fA1 LYS 240 HG2 0.11 0.00 0.21 -0.04 1.46 1.74 3h7fA1 LYS 240 HG3 0.13 0.00 0.11 -0.04 1.46 1.66 3h7fA1 LYS 240 HD2 0.03 -0.08 0.07 -0.04 1.69 1.67 3h7fA1 LYS 240 HD3 0.04 0.00 0.04 -0.04 1.68 1.72 3h7fA1 LYS 240 HE2 0.03 0.00 -0.05 -0.04 2.99 2.93 3h7fA1 LYS 240 HE3 0.04 0.00 -0.02 -0.04 2.99 2.96 3h7fA1 GLN 241 H 0.01 0.24 0.20 -0.55 8.47 8.37 3h7fA1 GLN 241 HA -0.04 0.06 0.26 -0.75 4.36 3.88 3h7fA1 GLN 241 HB2 0.01 0.06 0.14 -0.04 2.15 2.32 3h7fA1 GLN 241 HB3 -0.05 0.02 0.08 -0.04 2.02 2.04 3h7fA1 GLN 241 HG2 -0.02 0.06 0.01 -0.04 2.40 2.41 3h7fA1 GLN 241 HG3 -0.06 -0.02 -0.08 -0.04 2.39 2.19 3h7fA1 GLN 241 HE21 0.06 0.02 0.02 -0.04 6.97 7.03 3h7fA1 GLN 241 HE22 -0.04 -0.02 0.03 -0.04 7.69 7.61 3h7fA1 GLN 242 H -0.20 0.08 -0.22 -0.55 8.47 7.58 3h7fA1 GLN 242 HA -0.23 0.09 0.41 -0.75 4.36 3.87 3h7fA1 GLN 242 HB2 -0.37 0.06 0.09 -0.04 2.15 1.90 3h7fA1 GLN 242 HB3 -0.26 -0.00 0.09 -0.04 2.02 1.81 3h7fA1 GLN 242 HG2 -0.68 -0.14 -0.05 -0.04 2.40 1.48 3h7fA1 GLN 242 HG3 -1.67 0.07 -0.21 -0.04 2.39 0.54 3h7fA1 GLN 242 HE21 -0.03 0.07 0.01 -0.04 6.97 6.98 3h7fA1 GLN 242 HE22 -0.10 -0.11 0.02 -0.04 7.69 7.46 3h7fA1 TYR 243 H -0.29 0.40 -0.40 -0.55 8.29 7.45 3h7fA1 TYR 243 HA -0.12 0.18 0.76 -0.75 4.56 4.63 3h7fA1 TYR 243 HB2 -0.11 0.08 -0.01 -0.04 3.06 2.98 3h7fA1 TYR 243 HB3 -0.09 -0.04 0.07 -0.04 2.98 2.88 3h7fA1 TYR 243 HD2 -0.04 0.05 -0.00 -0.04 7.15 7.12 3h7fA1 TYR 243 HE2 -0.02 0.05 0.01 -0.04 6.85 6.84 3h7fA1 ALA 244 H -0.36 0.59 -0.19 -0.55 8.40 7.89 3h7fA1 ALA 244 HA -1.77 0.00 0.09 -0.75 4.34 1.91 3h7fA1 ALA 244 HB3 -0.46 0.01 0.05 -0.04 1.41 0.97 3h7fA1 LYS 245 H -0.17 0.19 -0.11 -0.55 8.42 7.77 3h7fA1 LYS 245 HA -0.05 0.07 0.49 -0.75 4.32 4.08 3h7fA1 LYS 245 HB2 -0.05 0.02 0.06 -0.04 1.87 1.86 3h7fA1 LYS 245 HB3 -0.06 0.03 0.06 -0.04 1.79 1.78 3h7fA1 LYS 245 HG2 -0.02 0.03 -0.05 -0.04 1.46 1.38 3h7fA1 LYS 245 HG3 -0.02 0.05 -0.33 -0.04 1.46 1.12 3h7fA1 LYS 245 HD2 -0.00 -0.07 0.06 -0.04 1.69 1.64 3h7fA1 LYS 245 HD3 -0.00 0.01 -0.01 -0.04 1.68 1.65 3h7fA1 LYS 245 HE2 0.00 0.03 -0.05 -0.04 2.99 2.93 3h7fA1 LYS 245 HE3 0.00 -0.01 -0.06 -0.04 2.99 2.88 3h7fA1 ALA 246 H -0.05 0.11 -0.22 -0.55 8.40 7.69 3h7fA1 ALA 246 HA 0.02 0.09 0.42 -0.75 4.34 4.11 3h7fA1 ALA 246 HB3 0.05 0.06 0.06 -0.04 1.41 1.54 3h7fA1 ILE 247 H -0.04 0.56 -0.19 -0.55 8.25 8.03 3h7fA1 ILE 247 HA 0.03 0.08 0.27 -0.75 4.18 3.79 3h7fA1 ILE 247 HB 0.06 0.08 -0.02 -0.04 1.89 1.96 3h7fA1 ILE 247 HG12 0.03 0.06 -0.06 -0.04 1.49 1.48 3h7fA1 ILE 247 HG13 0.09 -0.05 -0.14 -0.04 1.21 1.08 3h7fA1 ILE 247 HG23 0.19 -0.03 -0.24 -0.04 0.93 0.81 3h7fA1 ILE 247 HD13 0.01 0.00 -0.12 -0.04 0.88 0.73 3h7fA1 ASN 248 H 0.04 0.63 -0.04 -0.55 8.53 8.61 3h7fA1 ASN 248 HA 0.11 -0.06 0.39 -0.75 4.76 4.45 3h7fA1 ASN 248 HB2 0.06 0.06 0.17 -0.04 2.88 3.13 3h7fA1 ASN 248 HB3 0.09 0.01 0.01 -0.04 2.79 2.86 3h7fA1 ASN 248 HD21 0.31 -0.05 -0.01 -0.04 7.03 7.23 3h7fA1 ASN 248 HD22 0.10 -0.01 -0.04 -0.04 7.74 7.75 3h7fA1 SER 249 H 0.01 0.54 -0.19 -0.55 8.46 8.27 3h7fA1 SER 249 HA -0.01 0.00 0.33 -0.75 4.49 4.06 3h7fA1 SER 249 HB2 -0.01 0.00 0.01 -0.04 3.95 3.91 3h7fA1 SER 249 HB3 0.01 0.00 0.08 -0.04 3.93 3.97 3h7fA1 ALA 250 H -0.03 0.44 -0.30 -0.55 8.40 7.95 3h7fA1 ALA 250 HA -0.51 0.05 0.50 -0.75 4.34 3.63 3h7fA1 ALA 250 HB3 -0.08 0.02 0.04 -0.04 1.41 1.35 3h7fA1 VAL 251 H -0.05 0.54 -0.09 -0.55 8.24 8.09 3h7fA1 VAL 251 HA -0.10 -0.02 0.61 -0.75 4.13 3.87 3h7fA1 VAL 251 HB 0.01 0.15 0.14 -0.04 2.12 2.39 3h7fA1 VAL 251 HG13 -0.06 -0.05 -0.19 -0.04 0.97 0.63 3h7fA1 VAL 251 HG23 -0.03 0.01 -0.02 -0.04 0.95 0.87 3h7fA1 PHE 252 H 0.05 0.68 0.04 -0.55 8.34 8.55 3h7fA1 PHE 252 HA -0.09 0.14 0.62 -0.75 4.62 4.53 3h7fA1 PHE 252 HB2 -0.10 0.03 -0.09 -0.04 3.15 2.95 3h7fA1 PHE 252 HB3 -0.08 -0.01 0.07 -0.04 3.06 3.00 3h7fA1 PHE 252 HD2 -0.09 0.11 -0.17 -0.04 7.28 7.09 3h7fA1 PHE 252 HE2 -0.18 -0.03 -0.06 -0.04 7.38 7.07 3h7fA1 PHE 252 HZ -0.72 -0.03 -0.06 -0.04 7.32 6.47 3h7fA1 PRO 253 HA -0.92 0.16 0.29 -0.51 4.44 3.47 3h7fA1 PRO 253 HB2 -0.38 0.04 0.10 -0.04 2.28 2.00 3h7fA1 PRO 253 HB3 -1.08 -0.05 0.07 -0.04 2.02 0.92 3h7fA1 PRO 253 HG2 -0.20 0.07 -0.04 -0.04 2.03 1.82 3h7fA1 PRO 253 HG3 -0.23 -0.02 0.05 -0.04 2.03 1.79 3h7fA1 PRO 253 HD2 -0.17 0.11 0.28 -0.04 3.68 3.85 3h7fA1 PRO 253 HD3 -0.31 0.04 0.27 -0.04 3.65 3.61 3h7fA1 GLY 254 H -0.22 0.36 -0.21 -0.55 8.43 7.81 3h7fA1 GLY 254 HA2 -0.09 -0.02 0.32 -0.51 4.01 3.72 3h7fA1 GLY 254 HA3 -0.50 0.09 0.36 -0.51 4.01 3.45 3h7fA1 GLN 255 H -0.17 0.21 -0.10 -0.55 8.47 7.86 3h7fA1 GLN 255 HA -0.06 0.13 0.83 -0.75 4.36 4.50 3h7fA1 GLN 255 HB2 -0.12 0.05 0.17 -0.04 2.15 2.21 3h7fA1 GLN 255 HB3 -0.09 -0.17 -0.04 -0.04 2.02 1.68 3h7fA1 GLN 255 HG2 -0.27 0.15 -0.17 -0.04 2.40 2.07 3h7fA1 GLN 255 HG3 -0.15 -0.15 -0.22 -0.04 2.39 1.83 3h7fA1 GLN 255 HE21 0.08 -0.05 -0.06 -0.04 6.97 6.90 3h7fA1 GLN 255 HE22 0.29 0.05 -0.16 -0.04 7.69 7.83 3h7fA1 GLN 256 H -0.03 0.47 0.19 -0.55 8.47 8.55 3h7fA1 GLN 256 HA 0.07 0.07 0.72 -0.75 4.36 4.47 3h7fA1 GLN 256 HB2 -0.01 0.13 0.01 -0.04 2.15 2.23 3h7fA1 GLN 256 HB3 -0.03 -0.03 -0.01 -0.04 2.02 1.92 3h7fA1 GLN 256 HG2 -0.08 -0.01 -0.10 -0.04 2.40 2.17 3h7fA1 GLN 256 HG3 -0.11 0.01 -0.09 -0.04 2.39 2.16 3h7fA1 GLN 256 HE21 -0.58 0.31 -0.12 -0.04 6.97 6.55 3h7fA1 GLN 256 HE22 -0.38 0.12 -0.14 -0.04 7.69 7.26 3h7fA1 GLY 257 H 0.17 0.06 0.03 -0.55 8.43 8.15 3h7fA1 GLY 257 HA2 0.35 0.17 0.63 -0.51 4.01 4.66 3h7fA1 GLY 257 HA3 0.20 -0.04 0.41 -0.51 4.01 4.07 3h7fA1 GLY 258 H 0.24 0.09 0.12 -0.55 8.43 8.33 3h7fA1 GLY 258 HA2 -0.08 0.04 0.42 -0.51 4.01 3.88 3h7fA1 GLY 258 HA3 0.03 -0.00 0.35 -0.51 4.01 3.88 3h7fA1 PRO 259 HA 0.08 0.12 0.61 -0.51 4.44 4.75 3h7fA1 PRO 259 HB2 -0.06 -0.01 -0.08 -0.04 2.28 2.10 3h7fA1 PRO 259 HB3 -0.10 0.06 0.08 -0.04 2.02 2.02 3h7fA1 PRO 259 HG2 -0.08 -0.06 -0.04 -0.04 2.03 1.81 3h7fA1 PRO 259 HG3 -0.14 0.17 0.01 -0.04 2.03 2.02 3h7fA1 PRO 259 HD2 -0.13 -0.18 -0.00 -0.04 3.68 3.33 3h7fA1 PRO 259 HD3 -0.25 0.22 0.09 -0.04 3.65 3.67 3h7fA1 LEU 260 H 0.06 0.21 0.09 -0.55 8.37 8.18 3h7fA1 LEU 260 HA 0.04 0.20 0.70 -0.75 4.35 4.54 3h7fA1 LEU 260 HB2 -0.12 -0.01 0.23 -0.04 1.64 1.70 3h7fA1 LEU 260 HB3 -0.35 -0.05 0.13 -0.04 1.64 1.32 3h7fA1 LEU 260 HG 0.06 0.01 0.08 -0.04 1.64 1.75 3h7fA1 LEU 260 HD13 -0.13 0.01 0.08 -0.04 0.93 0.85 3h7fA1 LEU 260 HD23 -0.05 0.03 -0.08 -0.04 0.89 0.76 3h7fA1 MET 261 H 0.08 0.42 0.09 -0.55 8.47 8.51 3h7fA1 MET 261 HA -0.01 0.05 0.22 -0.75 4.52 4.03 3h7fA1 MET 261 HB2 0.05 0.21 0.09 -0.04 2.15 2.45 3h7fA1 MET 261 HB3 0.02 -0.07 0.03 -0.04 2.03 1.97 3h7fA1 MET 261 HG2 -0.01 0.22 0.02 -0.04 2.63 2.81 3h7fA1 MET 261 HG3 -0.00 -0.05 -0.04 -0.04 2.56 2.43 3h7fA1 MET 261 HE3 -0.02 -0.02 -0.04 -0.04 2.10 1.98 3h7fA1 HIS 262 H 0.52 0.17 -0.30 -0.55 8.41 8.26 3h7fA1 HIS 262 HA -0.02 0.05 0.50 -0.75 4.63 4.41 3h7fA1 HIS 262 HB2 -0.02 0.25 0.08 -0.04 3.26 3.54 3h7fA1 HIS 262 HB3 -0.02 -0.17 0.01 -0.04 3.20 2.98 3h7fA1 HIS 262 HD2 -0.02 0.33 0.10 -0.04 6.97 7.34 3h7fA1 HIS 262 HE1 -0.06 0.06 0.07 -0.04 7.75 7.78 3h7fA1 VAL 263 H -0.58 0.12 -0.29 -0.55 8.24 6.95 3h7fA1 VAL 263 HA -0.13 0.05 0.38 -0.75 4.13 3.68 3h7fA1 VAL 263 HB -0.22 0.11 0.11 -0.04 2.12 2.08 3h7fA1 VAL 263 HG13 -0.08 0.02 -0.14 -0.04 0.97 0.73 3h7fA1 VAL 263 HG23 -0.44 -0.00 0.03 -0.04 0.95 0.49 3h7fA1 ILE 264 H -0.08 0.44 -0.12 -0.55 8.25 7.94 3h7fA1 ILE 264 HA -0.04 0.07 0.42 -0.75 4.18 3.88 3h7fA1 ILE 264 HB -0.03 0.03 0.07 -0.04 1.89 1.92 3h7fA1 ILE 264 HG12 -0.05 0.22 0.02 -0.04 1.49 1.64 3h7fA1 ILE 264 HG13 -0.05 0.06 0.00 -0.04 1.21 1.18 3h7fA1 ILE 264 HG23 -0.04 -0.02 -0.12 -0.04 0.93 0.71 3h7fA1 ILE 264 HD13 -0.05 -0.04 -0.15 -0.04 0.88 0.60 3h7fA1 ALA 265 H -0.01 0.51 -0.23 -0.55 8.40 8.11 3h7fA1 ALA 265 HA -0.01 -0.00 0.41 -0.75 4.34 3.98 3h7fA1 ALA 265 HB3 0.01 0.04 0.12 -0.04 1.41 1.54 3h7fA1 GLY 266 H -0.02 0.42 -0.27 -0.55 8.43 8.02 3h7fA1 GLY 266 HA2 -0.01 -0.01 0.42 -0.51 4.01 3.90 3h7fA1 GLY 266 HA3 -0.01 0.06 0.29 -0.51 4.01 3.83 3h7fA1 LYS 267 H -0.03 0.47 -0.19 -0.55 8.42 8.11 3h7fA1 LYS 267 HA -0.02 -0.02 0.53 -0.75 4.32 4.06 3h7fA1 LYS 267 HB2 -0.03 0.13 0.15 -0.04 1.87 2.08 3h7fA1 LYS 267 HB3 -0.03 -0.04 -0.01 -0.04 1.79 1.67 3h7fA1 LYS 267 HG2 -0.02 -0.08 -0.07 -0.04 1.46 1.25 3h7fA1 LYS 267 HG3 -0.03 0.19 -0.05 -0.04 1.46 1.53 3h7fA1 LYS 267 HD2 -0.04 -0.01 0.05 -0.04 1.69 1.65 3h7fA1 LYS 267 HD3 -0.03 0.01 -0.04 -0.04 1.68 1.58 3h7fA1 LYS 267 HE2 -0.03 -0.12 -0.17 -0.04 2.99 2.64 3h7fA1 LYS 267 HE3 -0.04 -0.12 -0.21 -0.04 2.99 2.58 3h7fA1 ALA 268 H -0.03 0.50 -0.08 -0.55 8.40 8.24 3h7fA1 ALA 268 HA -0.04 0.03 0.38 -0.75 4.34 3.96 3h7fA1 ALA 268 HB3 -0.03 0.03 0.07 -0.04 1.41 1.44 3h7fA1 VAL 269 H -0.03 0.39 -0.20 -0.55 8.24 7.84 3h7fA1 VAL 269 HA -0.04 0.02 0.38 -0.75 4.13 3.74 3h7fA1 VAL 269 HB -0.02 0.12 0.12 -0.04 2.12 2.30 3h7fA1 VAL 269 HG13 -0.02 -0.03 -0.16 -0.04 0.97 0.72 3h7fA1 VAL 269 HG23 -0.02 0.06 0.01 -0.04 0.95 0.96 3h7fA1 ALA 270 H -0.03 0.55 -0.08 -0.55 8.40 8.30 3h7fA1 ALA 270 HA -0.04 -0.00 0.40 -0.75 4.34 3.94 3h7fA1 ALA 270 HB3 -0.02 0.02 0.05 -0.04 1.41 1.42 3h7fA1 LEU 271 H -0.07 0.49 -0.26 -0.55 8.37 7.98 3h7fA1 LEU 271 HA -0.17 0.06 0.43 -0.75 4.35 3.91 3h7fA1 LEU 271 HB2 -0.08 0.09 0.09 -0.04 1.64 1.70 3h7fA1 LEU 271 HB3 -0.11 -0.03 -0.09 -0.04 1.64 1.37 3h7fA1 LEU 271 HG -0.04 0.05 -0.03 -0.04 1.64 1.58 3h7fA1 LEU 271 HD13 -0.03 -0.05 -0.12 -0.04 0.93 0.69 3h7fA1 LEU 271 HD23 -0.01 -0.01 -0.09 -0.04 0.89 0.74 3h7fA1 LYS 272 H -0.09 0.40 -0.18 -0.55 8.42 7.99 3h7fA1 LYS 272 HA -0.10 0.04 0.45 -0.75 4.32 3.97 3h7fA1 LYS 272 HB2 -0.06 0.02 0.10 -0.04 1.87 1.89 3h7fA1 LYS 272 HB3 -0.06 0.08 0.17 -0.04 1.79 1.94 3h7fA1 LYS 272 HG2 -0.05 -0.02 -0.14 -0.04 1.46 1.21 3h7fA1 LYS 272 HG3 -0.05 -0.00 0.03 -0.04 1.46 1.39 3h7fA1 LYS 272 HD2 -0.04 -0.00 -0.01 -0.04 1.69 1.60 3h7fA1 LYS 272 HD3 -0.04 -0.03 -0.01 -0.04 1.68 1.56 3h7fA1 LYS 272 HE2 -0.03 0.01 -0.01 -0.04 2.99 2.92 3h7fA1 LYS 272 HE3 -0.03 -0.03 -0.02 -0.04 2.99 2.88 3h7fA1 ILE 273 H -0.10 0.50 -0.03 -0.55 8.25 8.08 3h7fA1 ILE 273 HA -0.06 -0.03 0.46 -0.75 4.18 3.79 3h7fA1 ILE 273 HB -0.08 0.15 0.15 -0.04 1.89 2.06 3h7fA1 ILE 273 HG12 -0.01 -0.07 0.06 -0.04 1.49 1.43 3h7fA1 ILE 273 HG13 -0.04 0.07 0.09 -0.04 1.21 1.29 3h7fA1 ILE 273 HG23 0.07 -0.01 -0.06 -0.04 0.93 0.88 3h7fA1 ILE 273 HD13 0.01 -0.03 -0.02 -0.04 0.88 0.80 3h7fA1 ALA 274 H -0.33 0.38 -0.38 -0.55 8.40 7.52 3h7fA1 ALA 274 HA -1.64 -0.01 0.33 -0.75 4.34 2.26 3h7fA1 ALA 274 HB3 -0.61 0.03 0.11 -0.04 1.41 0.90 3h7fA1 ALA 275 H -0.21 0.30 -0.44 -0.55 8.40 7.50 3h7fA1 ALA 275 HA -0.11 0.19 0.71 -0.75 4.34 4.37 3h7fA1 ALA 275 HB3 -0.11 0.01 0.10 -0.04 1.41 1.37 3h7fA1 THR 276 H -0.05 0.46 -0.14 -0.55 8.28 8.00 3h7fA1 THR 276 HA 0.01 0.17 0.58 -0.75 4.39 4.40 3h7fA1 THR 276 HB 0.03 -0.11 0.17 -0.04 4.32 4.37 3h7fA1 THR 276 HG23 -0.02 0.04 0.08 -0.04 1.22 1.28 3h7fA1 PRO 277 HA 0.06 0.15 0.60 -0.51 4.44 4.74 3h7fA1 PRO 277 HB2 0.03 -0.00 0.03 -0.04 2.28 2.30 3h7fA1 PRO 277 HB3 0.03 0.06 0.12 -0.04 2.02 2.19 3h7fA1 PRO 277 HG2 0.02 0.02 0.12 -0.04 2.03 2.15 3h7fA1 PRO 277 HG3 0.02 0.10 0.12 -0.04 2.03 2.23 3h7fA1 PRO 277 HD2 0.02 0.04 0.26 -0.04 3.68 3.96 3h7fA1 PRO 277 HD3 0.02 0.25 0.25 -0.04 3.65 4.13 3h7fA1 GLU 278 H 0.06 0.14 -0.08 -0.55 8.60 8.17 3h7fA1 GLU 278 HA 0.05 0.07 0.50 -0.75 4.29 4.16 3h7fA1 GLU 278 HB2 0.05 0.00 0.11 -0.04 2.09 2.21 3h7fA1 GLU 278 HB3 0.08 -0.00 0.07 -0.04 1.99 2.10 3h7fA1 GLU 278 HG2 0.07 0.04 -0.24 -0.04 2.34 2.17 3h7fA1 GLU 278 HG3 0.05 0.00 0.04 -0.04 2.34 2.40 3h7fA1 PHE 279 H 0.20 0.15 -0.23 -0.55 8.34 7.91 3h7fA1 PHE 279 HA 0.02 0.03 0.48 -0.75 4.62 4.40 3h7fA1 PHE 279 HB2 0.00 -0.00 0.06 -0.04 3.15 3.17 3h7fA1 PHE 279 HB3 -0.00 0.18 0.09 -0.04 3.06 3.29 3h7fA1 PHE 279 HD2 0.01 0.02 -0.13 -0.04 7.28 7.14 3h7fA1 PHE 279 HE2 0.01 0.08 -0.04 -0.04 7.38 7.38 3h7fA1 PHE 279 HZ 0.00 -0.09 0.05 -0.04 7.32 7.24 3h7fA1 ALA 280 H 0.17 0.39 -0.18 -0.55 8.40 8.24 3h7fA1 ALA 280 HA 0.07 0.04 0.41 -0.75 4.34 4.10 3h7fA1 ALA 280 HB3 0.08 0.05 0.12 -0.04 1.41 1.63 3h7fA1 ASP 281 H 0.04 0.53 -0.09 -0.55 8.40 8.32 3h7fA1 ASP 281 HA 0.02 0.01 0.54 -0.75 4.63 4.44 3h7fA1 ASP 281 HB2 0.03 0.01 0.13 -0.04 2.71 2.84 3h7fA1 ASP 281 HB3 0.03 0.12 0.16 -0.04 2.70 2.97 3h7fA1 ARG 282 H -0.04 0.48 -0.20 -0.55 8.46 8.15 3h7fA1 ARG 282 HA -0.01 0.01 0.42 -0.75 4.34 4.01 3h7fA1 ARG 282 HB2 -0.03 0.04 0.11 -0.04 1.90 1.97 3h7fA1 ARG 282 HB3 -0.22 0.22 0.19 -0.04 1.80 1.94 3h7fA1 ARG 282 HG2 -0.13 -0.06 -0.26 -0.04 1.67 1.18 3h7fA1 ARG 282 HG3 -0.02 0.03 -0.19 -0.04 1.67 1.46 3h7fA1 ARG 282 HD2 -0.22 0.04 -0.02 -0.04 3.22 2.98 3h7fA1 ARG 282 HD3 -0.04 -0.05 -0.02 -0.04 3.22 3.07 3h7fA1 GLN 283 H -0.22 0.59 -0.10 -0.55 8.47 8.20 3h7fA1 GLN 283 HA -0.11 -0.01 0.62 -0.75 4.36 4.10 3h7fA1 GLN 283 HB2 -0.06 0.17 0.10 -0.04 2.15 2.31 3h7fA1 GLN 283 HB3 -0.04 -0.12 0.00 -0.04 2.02 1.82 3h7fA1 GLN 283 HG2 -0.70 0.28 0.01 -0.04 2.40 1.96 3h7fA1 GLN 283 HG3 -0.16 0.13 -0.08 -0.04 2.39 2.24 3h7fA1 GLN 283 HE21 -0.41 0.08 -0.03 -0.04 6.97 6.58 3h7fA1 GLN 283 HE22 -1.71 0.05 -0.05 -0.04 7.69 5.94 3h7fA1 ARG 284 H -0.02 0.45 -0.22 -0.55 8.46 8.12 3h7fA1 ARG 284 HA 0.01 0.03 0.53 -0.75 4.34 4.16 3h7fA1 ARG 284 HB2 0.02 0.13 0.16 -0.04 1.90 2.17 3h7fA1 ARG 284 HB3 0.02 0.03 0.10 -0.04 1.80 1.90 3h7fA1 ARG 284 HG2 0.02 -0.12 0.10 -0.04 1.67 1.63 3h7fA1 ARG 284 HG3 0.02 0.05 0.05 -0.04 1.67 1.75 3h7fA1 ARG 284 HD2 0.02 -0.03 0.00 -0.04 3.22 3.17 3h7fA1 ARG 284 HD3 0.02 0.03 0.01 -0.04 3.22 3.25 3h7fA1 ARG 285 H 0.02 0.66 -0.03 -0.55 8.46 8.55 3h7fA1 ARG 285 HA 0.05 -0.09 0.48 -0.75 4.34 4.02 3h7fA1 ARG 285 HB2 0.08 0.14 0.15 -0.04 1.90 2.23 3h7fA1 ARG 285 HB3 0.19 0.07 0.09 -0.04 1.80 2.10 3h7fA1 ARG 285 HG2 0.09 -0.17 0.07 -0.04 1.67 1.62 3h7fA1 ARG 285 HG3 0.06 0.12 0.05 -0.04 1.67 1.85 3h7fA1 ARG 285 HD2 0.12 0.17 0.00 -0.04 3.22 3.46 3h7fA1 ARG 285 HD3 0.08 -0.11 -0.00 -0.04 3.22 3.15 3h7fA1 THR 286 H 0.00 0.55 -0.23 -0.55 8.28 8.05 3h7fA1 THR 286 HA -0.06 0.00 0.46 -0.75 4.39 4.04 3h7fA1 THR 286 HB -0.01 0.23 0.17 -0.04 4.32 4.67 3h7fA1 THR 286 HG23 0.05 -0.05 -0.13 -0.04 1.22 1.05 3h7fA1 LEU 287 H -0.01 0.55 -0.13 -0.55 8.37 8.24 3h7fA1 LEU 287 HA -0.01 0.10 0.33 -0.75 4.35 4.01 3h7fA1 LEU 287 HB2 0.01 0.09 0.12 -0.04 1.64 1.83 3h7fA1 LEU 287 HB3 0.01 -0.02 -0.03 -0.04 1.64 1.56 3h7fA1 LEU 287 HG 0.05 0.13 0.02 -0.04 1.64 1.81 3h7fA1 LEU 287 HD13 0.07 0.01 0.01 -0.04 0.93 0.98 3h7fA1 LEU 287 HD23 0.11 -0.02 -0.25 -0.04 0.89 0.69 3h7fA1 SER 288 H -0.04 0.55 -0.11 -0.55 8.46 8.31 3h7fA1 SER 288 HA -0.04 0.00 0.48 -0.75 4.49 4.17 3h7fA1 SER 288 HB2 -0.00 0.00 0.06 -0.04 3.95 3.96 3h7fA1 SER 288 HB3 -0.00 0.08 0.10 -0.04 3.93 4.07 3h7fA1 GLY 289 H -0.28 0.61 -0.26 -0.55 8.43 7.94 3h7fA1 GLY 289 HA2 -0.39 -0.03 0.37 -0.51 4.01 3.45 3h7fA1 GLY 289 HA3 -1.40 0.14 0.24 -0.51 4.01 2.48 3h7fA1 ALA 290 H -0.23 0.47 -0.24 -0.55 8.40 7.85 3h7fA1 ALA 290 HA -0.12 -0.01 0.31 -0.75 4.34 3.76 3h7fA1 ALA 290 HB3 -0.07 0.04 -0.03 -0.04 1.41 1.30 3h7fA1 ARG 291 H -0.09 0.46 -0.22 -0.55 8.46 8.06 3h7fA1 ARG 291 HA -0.05 0.02 0.47 -0.75 4.34 4.02 3h7fA1 ILE 292 H -0.06 0.50 -0.20 -0.55 8.25 7.93 3h7fA1 ILE 292 HA -0.01 -0.01 0.37 -0.75 4.18 3.78 3h7fA1 ILE 292 HB -0.01 0.14 0.11 -0.04 1.89 2.08 3h7fA1 ILE 292 HG12 0.02 -0.05 -0.00 -0.04 1.49 1.42 3h7fA1 ILE 292 HG13 -0.01 0.09 0.04 -0.04 1.21 1.29 3h7fA1 ILE 292 HG23 0.06 -0.01 -0.25 -0.04 0.93 0.69 3h7fA1 ILE 292 HD13 0.06 -0.01 -0.08 -0.04 0.88 0.80 3h7fA1 ILE 293 H -0.04 0.48 -0.23 -0.55 8.25 7.91 3h7fA1 ILE 293 HA 0.02 0.03 0.48 -0.75 4.18 3.95 3h7fA1 ILE 293 HB -0.03 0.11 0.06 -0.04 1.89 1.99 3h7fA1 ILE 293 HG12 0.07 -0.06 -0.06 -0.04 1.49 1.41 3h7fA1 ILE 293 HG13 0.05 0.05 -0.03 -0.04 1.21 1.23 3h7fA1 ILE 293 HG23 0.00 -0.02 -0.20 -0.04 0.93 0.67 3h7fA1 ILE 293 HD13 0.07 -0.02 -0.19 -0.04 0.88 0.70 3h7fA1 ALA 294 H -0.04 0.58 -0.12 -0.55 8.40 8.28 3h7fA1 ALA 294 HA -0.04 0.02 0.36 -0.75 4.34 3.93 3h7fA1 ALA 294 HB3 -0.05 0.03 0.04 -0.04 1.41 1.38 3h7fA1 ASP 295 H -0.02 0.52 -0.19 -0.55 8.40 8.16 3h7fA1 ASP 295 HA -0.02 0.00 0.36 -0.75 4.63 4.22 3h7fA1 ASP 295 HB2 -0.02 0.00 0.09 -0.04 2.71 2.74 3h7fA1 ASP 295 HB3 -0.01 0.07 0.10 -0.04 2.70 2.82 3h7fA1 ARG 296 H -0.00 0.47 -0.20 -0.55 8.46 8.18 3h7fA1 ARG 296 HA -0.00 0.01 0.43 -0.75 4.34 4.02 3h7fA1 ARG 296 HB2 0.01 0.01 0.10 -0.04 1.90 1.98 3h7fA1 ARG 296 HB3 0.01 0.11 0.12 -0.04 1.80 2.00 3h7fA1 ARG 296 HG2 0.02 0.01 -0.32 -0.04 1.67 1.34 3h7fA1 ARG 296 HG3 0.01 -0.02 -0.20 -0.04 1.67 1.42 3h7fA1 ARG 296 HD2 0.00 -0.04 0.07 -0.04 3.22 3.21 3h7fA1 ARG 296 HD3 0.01 0.01 -0.02 -0.04 3.22 3.18 3h7fA1 LEU 297 H -0.01 0.45 -0.32 -0.55 8.37 7.95 3h7fA1 LEU 297 HA -0.01 0.05 0.53 -0.75 4.35 4.17 3h7fA1 LEU 297 HB2 -0.02 0.08 0.01 -0.04 1.64 1.66 3h7fA1 LEU 297 HB3 -0.02 -0.04 -0.02 -0.04 1.64 1.52 3h7fA1 LEU 297 HG -0.00 0.13 -0.04 -0.04 1.64 1.70 3h7fA1 LEU 297 HD13 -0.01 -0.03 -0.16 -0.04 0.93 0.69 3h7fA1 LEU 297 HD23 0.00 -0.01 -0.15 -0.04 0.89 0.68 3h7fA1 MET 298 H -0.02 0.32 -0.44 -0.55 8.47 7.79 3h7fA1 MET 298 HA -0.02 0.17 0.85 -0.75 4.52 4.77 3h7fA1 MET 298 HB2 -0.02 0.06 0.10 -0.04 2.15 2.24 3h7fA1 MET 298 HB3 -0.02 -0.06 0.16 -0.04 2.03 2.07 3h7fA1 MET 298 HG2 -0.03 -0.07 -0.01 -0.04 2.63 2.48 3h7fA1 MET 298 HG3 -0.03 0.13 -0.14 -0.04 2.56 2.48 3h7fA1 MET 298 HE3 -0.03 0.02 -0.12 -0.04 2.10 1.93 3h7fA1 ALA 299 H -0.01 0.28 -0.29 -0.55 8.40 7.83 3h7fA1 ALA 299 HA -0.01 0.11 0.48 -0.75 4.34 4.17 3h7fA1 ALA 299 HB3 -0.00 0.01 0.14 -0.04 1.41 1.51 3h7fA1 PRO 300 HA -0.01 0.10 0.29 -0.51 4.44 4.31 3h7fA1 PRO 300 HB2 -0.00 0.00 0.06 -0.04 2.28 2.30 3h7fA1 PRO 300 HB3 -0.00 0.05 0.09 -0.04 2.02 2.11 3h7fA1 PRO 300 HG2 -0.00 0.04 0.10 -0.04 2.03 2.12 3h7fA1 PRO 300 HG3 -0.00 0.08 0.12 -0.04 2.03 2.18 3h7fA1 PRO 300 HD2 -0.00 0.07 0.19 -0.04 3.68 3.90 3h7fA1 PRO 300 HD3 -0.00 0.16 0.25 -0.04 3.65 4.02 3h7fA1 ASP 301 H -0.00 0.10 -0.19 -0.55 8.40 7.76 3h7fA1 ASP 301 HA -0.00 0.09 0.42 -0.75 4.63 4.38 3h7fA1 ASP 301 HB2 -0.00 0.05 -0.01 -0.04 2.71 2.71 3h7fA1 ASP 301 HB3 -0.00 -0.02 0.05 -0.04 2.70 2.69 3h7fA1 VAL 302 H -0.00 0.21 -0.22 -0.55 8.24 7.67 3h7fA1 VAL 302 HA -0.00 0.08 0.50 -0.75 4.13 3.95 3h7fA1 VAL 302 HB -0.01 0.11 -0.03 -0.04 2.12 2.15 3h7fA1 VAL 302 HG13 -0.01 -0.00 -0.09 -0.04 0.97 0.83 3h7fA1 VAL 302 HG23 -0.00 -0.02 -0.01 -0.04 0.95 0.88 3h7fA1 ALA 303 H -0.01 0.42 -0.14 -0.55 8.40 8.12 3h7fA1 ALA 303 HA -0.01 0.23 0.47 -0.75 4.34 4.28 3h7fA1 ALA 303 HB3 -0.01 0.00 0.00 -0.04 1.41 1.36 3h7fA1 LYS 304 H -0.01 0.46 -0.17 -0.55 8.42 8.16 3h7fA1 LYS 304 HA -0.00 0.02 0.49 -0.75 4.32 4.07 3h7fA1 ALA 305 H -0.00 0.26 -0.39 -0.55 8.40 7.72 3h7fA1 ALA 305 HA -0.00 0.05 0.63 -0.75 4.34 4.26 3h7fA1 ALA 305 HB3 -0.00 0.03 0.23 -0.04 1.41 1.63 3h7fA1 GLY 306 H -0.01 0.35 -0.47 -0.55 8.43 7.75 3h7fA1 GLY 306 HA2 -0.01 -0.01 0.22 -0.51 4.01 3.70 3h7fA1 GLY 306 HA3 -0.01 0.31 0.53 -0.51 4.01 4.34 3h7fA1 VAL 307 H -0.01 0.30 -0.03 -0.55 8.24 7.95 3h7fA1 VAL 307 HA -0.02 0.14 0.74 -0.75 4.13 4.24 3h7fA1 VAL 307 HB -0.01 0.11 0.02 -0.04 2.12 2.20 3h7fA1 VAL 307 HG13 -0.02 -0.03 -0.20 -0.04 0.97 0.68 3h7fA1 VAL 307 HG23 -0.01 -0.01 -0.12 -0.04 0.95 0.78 3h7fA1 SER 308 H -0.03 0.46 0.30 -0.55 8.46 8.64 3h7fA1 SER 308 HA -0.03 0.24 0.87 -0.75 4.49 4.82 3h7fA1 SER 308 HB2 -0.04 -0.02 0.06 -0.04 3.95 3.92 3h7fA1 SER 308 HB3 -0.03 0.09 -0.16 -0.04 3.93 3.79 3h7fA1 VAL 309 H -0.05 0.22 0.12 -0.55 8.24 7.98 3h7fA1 VAL 309 HA -0.07 0.19 0.96 -0.75 4.13 4.45 3h7fA1 VAL 309 HB -0.05 -0.03 0.07 -0.04 2.12 2.06 3h7fA1 VAL 309 HG13 -0.08 -0.01 -0.13 -0.04 0.97 0.71 3h7fA1 VAL 309 HG23 -0.04 0.05 -0.18 -0.04 0.95 0.74 3h7fA1 VAL 310 H -0.13 0.62 0.29 -0.55 8.24 8.47 3h7fA1 VAL 310 HA -0.25 -0.01 0.37 -0.75 4.13 3.49 3h7fA1 VAL 310 HB -0.18 -0.02 0.15 -0.04 2.12 2.03 3h7fA1 VAL 310 HG13 -0.31 0.00 -0.06 -0.04 0.97 0.56 3h7fA1 VAL 310 HG23 -0.21 0.00 -0.12 -0.04 0.95 0.58 3h7fA1 SER 311 H -0.11 0.14 0.19 -0.55 8.46 8.14 3h7fA1 SER 311 HA -0.01 0.11 0.36 -0.75 4.49 4.20 3h7fA1 SER 311 HB2 -0.09 -0.04 0.09 -0.04 3.95 3.87 3h7fA1 SER 311 HB3 -0.13 -0.07 -0.20 -0.04 3.93 3.49 3h7fA1 GLY 312 H -0.07 0.43 -0.37 -0.55 8.43 7.86 3h7fA1 GLY 312 HA2 -0.05 0.03 0.29 -0.51 4.01 3.77 3h7fA1 GLY 312 HA3 -0.04 0.04 0.44 -0.51 4.01 3.94 3h7fA1 GLY 313 H -0.09 0.35 -0.19 -0.55 8.43 7.95 3h7fA1 GLY 313 HA2 -0.06 -0.02 0.25 -0.51 4.01 3.67 3h7fA1 GLY 313 HA3 -0.06 0.10 0.48 -0.51 4.01 4.02 3h7fA1 THR 314 H -0.07 0.27 0.19 -0.55 8.28 8.12 3h7fA1 THR 314 HA -0.15 0.21 0.67 -0.75 4.39 4.37 3h7fA1 THR 314 HB -0.12 0.05 0.04 -0.04 4.32 4.25 3h7fA1 THR 314 HG23 -0.07 -0.01 -0.19 -0.04 1.22 0.90 3h7fA1 ASP 315 H -0.12 0.56 0.35 -0.55 8.40 8.65 3h7fA1 ASP 315 HA -0.03 0.21 0.85 -0.75 4.63 4.90 3h7fA1 ASP 315 HB2 -0.07 -0.09 0.16 -0.04 2.71 2.66 3h7fA1 ASP 315 HB3 -0.03 0.02 0.20 -0.04 2.70 2.84 3h7fA1 VAL 316 H -0.04 0.10 0.08 -0.55 8.24 7.83 3h7fA1 VAL 316 HA 0.20 0.26 0.81 -0.75 4.13 4.64 3h7fA1 VAL 316 HB 0.46 -0.11 0.14 -0.04 2.12 2.57 3h7fA1 VAL 316 HG13 0.27 0.01 -0.30 -0.04 0.97 0.90 3h7fA1 VAL 316 HG23 -0.15 0.02 0.02 -0.04 0.95 0.81 3h7fA1 HIS 317 H 0.35 0.13 0.11 -0.55 8.41 8.45 3h7fA1 HIS 317 HA 0.03 0.20 0.41 -0.75 4.63 4.51 3h7fA1 HIS 317 HB2 0.07 -0.04 0.24 -0.04 3.26 3.48 3h7fA1 HIS 317 HB3 0.10 0.04 0.08 -0.04 3.20 3.37 3h7fA1 HIS 317 HD2 0.17 0.05 0.09 -0.04 6.97 7.23 3h7fA1 HIS 317 HE1 0.57 -0.12 -0.18 -0.04 7.75 7.98 3h7fA1 LEU 318 H -0.15 0.16 -0.36 -0.55 8.37 7.48 3h7fA1 LEU 318 HA -0.07 0.28 0.98 -0.75 4.35 4.79 3h7fA1 LEU 318 HB2 -0.10 0.02 -0.04 -0.04 1.64 1.48 3h7fA1 LEU 318 HB3 -0.17 -0.01 -0.18 -0.04 1.64 1.24 3h7fA1 LEU 318 HG -0.35 -0.10 -0.10 -0.04 1.64 1.04 3h7fA1 LEU 318 HD13 -0.23 0.01 -0.40 -0.04 0.93 0.26 3h7fA1 LEU 318 HD23 -0.06 -0.02 -0.10 -0.04 0.89 0.67 3h7fA1 VAL 319 H -0.06 0.61 0.34 -0.55 8.24 8.57 3h7fA1 VAL 319 HA -0.11 0.17 0.84 -0.75 4.13 4.28 3h7fA1 VAL 319 HB -0.05 -0.04 0.09 -0.04 2.12 2.08 3h7fA1 VAL 319 HG13 -0.06 0.01 -0.19 -0.04 0.97 0.70 3h7fA1 VAL 319 HG23 -0.06 -0.01 -0.15 -0.04 0.95 0.69 3h7fA1 LEU 320 H -0.13 0.26 0.16 -0.55 8.37 8.11 3h7fA1 LEU 320 HA -0.08 0.22 1.01 -0.75 4.35 4.75 3h7fA1 LEU 320 HB2 -0.15 0.03 0.17 -0.04 1.64 1.65 3h7fA1 LEU 320 HB3 -0.11 0.03 0.01 -0.04 1.64 1.53 3h7fA1 LEU 320 HG -0.18 -0.04 -0.19 -0.04 1.64 1.19 3h7fA1 LEU 320 HD13 -0.14 0.01 -0.20 -0.04 0.93 0.57 3h7fA1 LEU 320 HD23 -0.08 -0.01 -0.12 -0.04 0.89 0.64 3h7fA1 VAL 321 H -0.06 0.61 0.37 -0.55 8.24 8.61 3h7fA1 VAL 321 HA -0.07 0.23 1.05 -0.75 4.13 4.59 3h7fA1 VAL 321 HB -0.03 -0.07 0.07 -0.04 2.12 2.05 3h7fA1 VAL 321 HG13 -0.03 0.03 -0.22 -0.04 0.97 0.71 3h7fA1 VAL 321 HG23 -0.04 0.01 -0.26 -0.04 0.95 0.62 3h7fA1 ASP 322 H -0.07 0.63 0.31 -0.55 8.40 8.73 3h7fA1 ASP 322 HA -0.05 0.22 0.98 -0.75 4.63 5.02 3h7fA1 ASP 322 HB2 -0.10 -0.04 0.03 -0.04 2.71 2.55 3h7fA1 ASP 322 HB3 -0.07 0.01 0.15 -0.04 2.70 2.75 3h7fA1 LEU 323 H -0.03 0.75 0.33 -0.55 8.37 8.88 3h7fA1 LEU 323 HA -0.02 0.20 0.82 -0.75 4.35 4.60 3h7fA1 LEU 323 HB2 -0.01 -0.07 -0.03 -0.04 1.64 1.49 3h7fA1 LEU 323 HB3 -0.01 0.19 0.08 -0.04 1.64 1.86 3h7fA1 LEU 323 HG -0.02 -0.00 -0.33 -0.04 1.64 1.25 3h7fA1 LEU 323 HD13 -0.01 -0.04 -0.39 -0.04 0.93 0.46 3h7fA1 LEU 323 HD23 -0.01 0.02 -0.17 -0.04 0.89 0.69 3h7fA1 ARG 324 H -0.02 0.06 -0.02 -0.55 8.46 7.93 3h7fA1 ARG 324 HA -0.01 0.08 0.18 -0.75 4.34 3.84 3h7fA1 ARG 324 HB2 -0.01 0.00 0.14 -0.04 1.90 1.99 3h7fA1 ARG 324 HB3 -0.01 -0.03 0.16 -0.04 1.80 1.88 3h7fA1 ARG 324 HG2 -0.01 -0.04 0.02 -0.04 1.67 1.60 3h7fA1 ARG 324 HG3 -0.01 0.10 -0.25 -0.04 1.67 1.48 3h7fA1 ARG 324 HD2 -0.00 -0.03 0.02 -0.04 3.22 3.17 3h7fA1 ARG 324 HD3 0.00 0.00 -0.02 -0.04 3.22 3.16 3h7fA1 ASP 325 H -0.01 0.11 -0.20 -0.55 8.40 7.75 3h7fA1 ASP 325 HA -0.01 0.12 0.84 -0.75 4.63 4.83 3h7fA1 ASP 325 HB2 -0.01 0.17 0.12 -0.04 2.71 2.95 3h7fA1 ASP 325 HB3 -0.01 -0.01 0.22 -0.04 2.70 2.86 3h7fA1 SER 326 H -0.01 0.41 -0.17 -0.55 8.46 8.14 3h7fA1 SER 326 HA -0.01 0.37 0.94 -0.75 4.49 5.04 3h7fA1 SER 326 HB2 -0.01 0.11 0.06 -0.04 3.95 4.07 3h7fA1 SER 326 HB3 -0.01 -0.02 -0.27 -0.04 3.93 3.59 3h7fA1 PRO 327 HA -0.00 0.12 0.58 -0.51 4.44 4.63 3h7fA1 PRO 327 HB2 -0.00 -0.05 0.01 -0.04 2.28 2.20 3h7fA1 PRO 327 HB3 -0.00 -0.02 0.14 -0.04 2.02 2.09 3h7fA1 PRO 327 HG2 -0.00 -0.00 0.11 -0.04 2.03 2.09 3h7fA1 PRO 327 HG3 -0.00 0.04 0.11 -0.04 2.03 2.14 3h7fA1 PRO 327 HD2 -0.00 0.09 0.24 -0.04 3.68 3.96 3h7fA1 PRO 327 HD3 -0.00 0.41 0.33 -0.04 3.65 4.35 3h7fA1 LEU 328 H -0.00 0.15 -0.33 -0.55 8.37 7.64 3h7fA1 LEU 328 HA 0.00 0.06 0.73 -0.75 4.35 4.39 3h7fA1 LEU 328 HB2 -0.00 0.03 0.00 -0.04 1.64 1.63 3h7fA1 LEU 328 HB3 0.00 -0.04 -0.06 -0.04 1.64 1.50 3h7fA1 LEU 328 HG 0.00 0.01 -0.10 -0.04 1.64 1.50 3h7fA1 LEU 328 HD13 0.00 0.02 -0.05 -0.04 0.93 0.86 3h7fA1 LEU 328 HD23 0.00 -0.00 -0.15 -0.04 0.89 0.70 3h7fA1 ASP 329 H -0.00 0.06 0.15 -0.55 8.40 8.06 3h7fA1 ASP 329 HA -0.01 0.35 0.78 -0.75 4.63 5.00 3h7fA1 ASP 329 HB2 -0.00 -0.10 0.21 -0.04 2.71 2.77 3h7fA1 ASP 329 HB3 -0.00 0.19 0.11 -0.04 2.70 2.95 3h7fA1 GLY 330 H -0.01 0.22 0.14 -0.55 8.43 8.23 3h7fA1 GLY 330 HA2 -0.00 0.16 0.28 -0.51 4.01 3.94 3h7fA1 GLY 330 HA3 -0.00 0.08 0.40 -0.51 4.01 3.98 3h7fA1 GLN 331 H -0.00 0.11 -0.10 -0.55 8.47 7.93 3h7fA1 GLN 331 HA -0.00 0.08 0.41 -0.75 4.36 4.10 3h7fA1 GLN 331 HB2 -0.00 0.00 0.09 -0.04 2.15 2.20 3h7fA1 GLN 331 HB3 -0.00 0.03 0.03 -0.04 2.02 2.03 3h7fA1 GLN 331 HG2 -0.01 0.05 -0.01 -0.04 2.40 2.39 3h7fA1 GLN 331 HG3 -0.00 0.01 -0.07 -0.04 2.39 2.29 3h7fA1 GLN 331 HE21 -0.01 0.02 0.01 -0.04 6.97 6.95 3h7fA1 GLN 331 HE22 -0.01 -0.02 0.05 -0.04 7.69 7.67 3h7fA1 ALA 332 H 0.00 0.07 -0.26 -0.55 8.40 7.67 3h7fA1 ALA 332 HA 0.01 0.07 0.42 -0.75 4.34 4.09 3h7fA1 ALA 332 HB3 0.00 0.03 0.11 -0.04 1.41 1.51 3h7fA1 ALA 333 H 0.01 0.50 -0.17 -0.55 8.40 8.19 3h7fA1 ALA 333 HA 0.01 0.08 0.40 -0.75 4.34 4.08 3h7fA1 ALA 333 HB3 0.01 0.03 -0.05 -0.04 1.41 1.35 3h7fA1 GLU 334 H 0.01 0.47 -0.16 -0.55 8.60 8.38 3h7fA1 GLU 334 HA 0.03 0.01 0.38 -0.75 4.29 3.97 3h7fA1 GLU 334 HB2 0.01 0.01 0.06 -0.04 2.09 2.13 3h7fA1 GLU 334 HB3 0.01 0.07 0.15 -0.04 1.99 2.18 3h7fA1 GLU 334 HG2 0.01 0.02 -0.11 -0.04 2.34 2.23 3h7fA1 GLU 334 HG3 0.02 -0.02 -0.06 -0.04 2.34 2.25 3h7fA1 ASP 335 H 0.02 0.52 -0.15 -0.55 8.40 8.24 3h7fA1 ASP 335 HA 0.05 0.01 0.40 -0.75 4.63 4.33 3h7fA1 ASP 335 HB2 0.02 0.09 0.15 -0.04 2.71 2.93 3h7fA1 ASP 335 HB3 0.03 -0.03 0.02 -0.04 2.70 2.68 3h7fA1 LEU 336 H 0.03 0.48 -0.18 -0.55 8.37 8.15 3h7fA1 LEU 336 HA 0.04 -0.00 0.42 -0.75 4.35 4.05 3h7fA1 LEU 336 HB2 0.02 0.01 0.09 -0.04 1.64 1.72 3h7fA1 LEU 336 HB3 0.02 0.09 0.12 -0.04 1.64 1.83 3h7fA1 LEU 336 HG 0.02 -0.02 -0.20 -0.04 1.64 1.40 3h7fA1 LEU 336 HD13 0.02 -0.02 0.00 -0.04 0.93 0.88 3h7fA1 LEU 336 HD23 0.01 0.02 -0.09 -0.04 0.89 0.80 3h7fA1 LEU 337 H 0.04 0.49 -0.19 -0.55 8.37 8.16 3h7fA1 LEU 337 HA 0.03 0.01 0.44 -0.75 4.35 4.08 3h7fA1 LEU 337 HB2 0.05 0.06 0.11 -0.04 1.64 1.83 3h7fA1 LEU 337 HB3 0.04 -0.03 -0.02 -0.04 1.64 1.59 3h7fA1 LEU 337 HG 0.03 0.09 -0.01 -0.04 1.64 1.70 3h7fA1 LEU 337 HD13 0.03 -0.03 -0.12 -0.04 0.93 0.77 3h7fA1 LEU 337 HD23 0.03 -0.01 -0.07 -0.04 0.89 0.80 3h7fA1 HIS 338 H 0.14 0.44 -0.13 -0.55 8.41 8.31 3h7fA1 HIS 338 HA 0.02 0.05 0.44 -0.75 4.63 4.39 3h7fA1 HIS 338 HB2 0.02 -0.01 0.13 -0.04 3.26 3.36 3h7fA1 HIS 338 HB3 0.01 0.13 0.16 -0.04 3.20 3.46 3h7fA1 HIS 338 HD2 0.01 0.02 -0.15 -0.04 6.97 6.80 3h7fA1 HIS 338 HE1 0.02 -0.02 -0.05 -0.04 7.75 7.66 3h7fA1 GLU 339 H 0.07 0.42 -0.25 -0.55 8.60 8.29 3h7fA1 GLU 339 HA -0.03 -0.00 0.38 -0.75 4.29 3.88 3h7fA1 GLU 339 HB2 0.02 0.22 0.14 -0.04 2.09 2.44 3h7fA1 GLU 339 HB3 0.01 -0.10 0.03 -0.04 1.99 1.89 3h7fA1 GLU 339 HG2 0.06 -0.06 0.04 -0.04 2.34 2.33 3h7fA1 GLU 339 HG3 0.07 0.24 0.07 -0.04 2.34 2.68 3h7fA1 VAL 340 H -0.01 0.33 -0.32 -0.55 8.24 7.69 3h7fA1 VAL 340 HA -0.02 0.12 0.78 -0.75 4.13 4.26 3h7fA1 VAL 340 HB 0.00 -0.06 -0.07 -0.04 2.12 1.95 3h7fA1 VAL 340 HG13 0.01 0.04 -0.03 -0.04 0.97 0.94 3h7fA1 VAL 340 HG23 0.01 0.02 -0.07 -0.04 0.95 0.86 3h7fA1 GLY 341 H -0.10 0.40 -0.35 -0.55 8.43 7.83 3h7fA1 GLY 341 HA2 -0.10 0.04 0.25 -0.51 4.01 3.68 3h7fA1 GLY 341 HA3 -0.03 0.08 0.46 -0.51 4.01 4.01 3h7fA1 ILE 342 H -0.00 0.56 0.01 -0.55 8.25 8.26 3h7fA1 ILE 342 HA 0.03 0.22 0.95 -0.75 4.18 4.64 3h7fA1 ILE 342 HB 0.03 0.00 -0.01 -0.04 1.89 1.88 3h7fA1 ILE 342 HG12 0.05 0.02 -0.08 -0.04 1.49 1.44 3h7fA1 ILE 342 HG13 0.03 0.06 -0.34 -0.04 1.21 0.91 3h7fA1 ILE 342 HG23 0.05 -0.03 -0.25 -0.04 0.93 0.66 3h7fA1 ILE 342 HD13 0.04 -0.02 -0.09 -0.04 0.88 0.78 3h7fA1 THR 343 H 0.05 0.55 0.23 -0.55 8.28 8.56 3h7fA1 THR 343 HA 0.09 0.15 0.80 -0.75 4.39 4.68 3h7fA1 THR 343 HB 0.06 -0.20 0.21 -0.04 4.32 4.34 3h7fA1 THR 343 HG23 0.06 0.01 -0.04 -0.04 1.22 1.21 3h7fA1 VAL 344 H 0.05 0.20 0.10 -0.55 8.24 8.05 3h7fA1 VAL 344 HA 0.04 0.15 0.62 -0.75 4.13 4.18 3h7fA1 VAL 344 HB 0.03 0.13 0.25 -0.04 2.12 2.48 3h7fA1 VAL 344 HG13 0.04 0.01 -0.14 -0.04 0.97 0.84 3h7fA1 VAL 344 HG23 0.03 -0.01 -0.13 -0.04 0.95 0.81 3h7fA1 ASN 345 H 0.03 0.44 0.31 -0.55 8.53 8.77 3h7fA1 ASN 345 HA 0.02 0.13 0.30 -0.75 4.76 4.47 3h7fA1 ASN 345 HB2 0.03 -0.02 0.17 -0.04 2.88 3.02 3h7fA1 ASN 345 HB3 0.03 0.06 0.07 -0.04 2.79 2.91 3h7fA1 ASN 345 HD21 0.07 -0.06 -0.02 -0.04 7.03 6.98 3h7fA1 ASN 345 HD22 0.05 0.01 -0.01 -0.04 7.74 7.75 3h7fA1 ARG 346 H 0.01 0.11 0.06 -0.55 8.46 8.09 3h7fA1 ARG 346 HA 0.00 0.27 0.63 -0.75 4.34 4.49 3h7fA1 ARG 346 HB2 -0.00 0.04 0.14 -0.04 1.90 2.03 3h7fA1 ARG 346 HB3 0.00 0.06 -0.01 -0.04 1.80 1.82 3h7fA1 ARG 346 HG2 0.00 -0.01 0.07 -0.04 1.67 1.69 3h7fA1 ARG 346 HG3 0.00 0.01 0.05 -0.04 1.67 1.68 3h7fA1 ARG 346 HD2 -0.00 0.01 -0.03 -0.04 3.22 3.16 3h7fA1 ARG 346 HD3 -0.00 -0.07 -0.11 -0.04 3.22 2.99 3h7fA1 SER 360 HA -0.01 -0.17 0.32 -0.75 4.49 3.88 3h7fA1 SER 360 HB2 -0.01 -0.03 0.19 -0.04 3.95 4.05 3h7fA1 SER 360 HB3 -0.01 -0.02 0.09 -0.04 3.93 3.94 3h7fA1 GLY 361 H -0.01 0.08 0.60 -0.55 8.43 8.55 3h7fA1 GLY 361 HA2 -0.03 0.42 1.04 -0.51 4.01 4.92 3h7fA1 GLY 361 HA3 -0.03 -0.02 0.02 -0.51 4.01 3.48 3h7fA1 LEU 362 H -0.03 0.47 0.33 -0.55 8.37 8.59 3h7fA1 LEU 362 HA -0.01 0.11 0.86 -0.75 4.35 4.56 3h7fA1 LEU 362 HB2 -0.01 0.00 -0.24 -0.04 1.64 1.35 3h7fA1 LEU 362 HB3 -0.02 0.00 0.03 -0.04 1.64 1.62 3h7fA1 LEU 362 HG -0.00 0.02 -0.20 -0.04 1.64 1.42 3h7fA1 LEU 362 HD13 0.01 0.04 -0.11 -0.04 0.93 0.82 3h7fA1 LEU 362 HD23 0.00 0.00 -0.16 -0.04 0.89 0.69 3h7fA1 ARG 363 H 0.00 0.71 0.39 -0.55 8.46 9.01 3h7fA1 ARG 363 HA -0.03 0.29 1.10 -0.75 4.34 4.94 3h7fA1 ARG 363 HB2 0.02 -0.08 0.15 -0.04 1.90 1.95 3h7fA1 ARG 363 HB3 -0.00 -0.01 0.03 -0.04 1.80 1.77 3h7fA1 ARG 363 HG2 -0.02 -0.00 -0.06 -0.04 1.67 1.55 3h7fA1 ARG 363 HG3 -0.01 -0.07 -0.26 -0.04 1.67 1.29 3h7fA1 ARG 363 HD2 0.02 0.08 -0.09 -0.04 3.22 3.20 3h7fA1 ARG 363 HD3 0.04 -0.06 -0.03 -0.04 3.22 3.12 3h7fA1 ILE 364 H -0.02 0.56 0.32 -0.55 8.25 8.56 3h7fA1 ILE 364 HA 0.02 0.21 1.01 -0.75 4.18 4.67 3h7fA1 ILE 364 HB -0.01 -0.03 0.14 -0.04 1.89 1.94 3h7fA1 ILE 364 HG12 0.02 0.03 -0.15 -0.04 1.49 1.35 3h7fA1 ILE 364 HG13 -0.00 -0.10 -0.39 -0.04 1.21 0.68 3h7fA1 ILE 364 HG23 0.03 0.01 -0.10 -0.04 0.93 0.83 3h7fA1 ILE 364 HD13 0.00 0.01 -0.14 -0.04 0.88 0.71 3h7fA1 GLY 365 H 0.04 0.62 0.27 -0.55 8.43 8.82 3h7fA1 GLY 365 HA2 0.03 0.25 1.12 -0.51 4.01 4.89 3h7fA1 GLY 365 HA3 0.08 -0.09 0.22 -0.51 4.01 3.71 3h7fA1 THR 366 H 0.07 0.51 0.31 -0.55 8.28 8.62 3h7fA1 THR 366 HA 0.12 0.18 0.96 -0.75 4.39 4.90 3h7fA1 THR 366 HB -0.19 -0.05 0.12 -0.04 4.32 4.16 3h7fA1 THR 366 HG23 -0.19 -0.03 -0.29 -0.04 1.22 0.67 3h7fA1 PRO 367 HA 0.03 0.06 0.41 -0.51 4.44 4.42 3h7fA1 PRO 367 HB2 -0.01 0.21 0.16 -0.04 2.28 2.60 3h7fA1 PRO 367 HB3 -0.03 0.04 0.14 -0.04 2.02 2.12 3h7fA1 PRO 367 HG2 0.10 0.21 0.18 -0.04 2.03 2.48 3h7fA1 PRO 367 HG3 0.05 -0.02 0.17 -0.04 2.03 2.19 3h7fA1 PRO 367 HD2 0.14 0.08 0.13 -0.04 3.68 3.99 3h7fA1 PRO 367 HD3 0.18 0.12 0.34 -0.04 3.65 4.25 3h7fA1 ALA 368 H -0.03 0.21 -0.15 -0.55 8.40 7.88 3h7fA1 ALA 368 HA -0.13 -0.02 0.38 -0.75 4.34 3.81 3h7fA1 ALA 368 HB3 -0.36 0.07 -0.09 -0.04 1.41 0.99 3h7fA1 LEU 369 H -0.00 0.15 -0.15 -0.55 8.37 7.81 3h7fA1 LEU 369 HA -0.33 0.12 0.57 -0.75 4.35 3.96 3h7fA1 LEU 369 HB2 0.03 0.05 0.09 -0.04 1.64 1.77 3h7fA1 LEU 369 HB3 -1.00 -0.04 0.01 -0.04 1.64 0.56 3h7fA1 LEU 369 HG -0.13 0.11 0.01 -0.04 1.64 1.59 3h7fA1 LEU 369 HD13 -0.06 -0.01 -0.08 -0.04 0.93 0.73 3h7fA1 LEU 369 HD23 -0.64 -0.01 0.01 -0.04 0.89 0.21 3h7fA1 ALA 370 H 0.16 0.47 -0.09 -0.55 8.40 8.39 3h7fA1 ALA 370 HA 0.17 0.13 0.56 -0.75 4.34 4.45 3h7fA1 ALA 370 HB3 0.13 0.02 0.04 -0.04 1.41 1.56 3h7fA1 THR 371 H 0.05 0.52 -0.03 -0.55 8.28 8.27 3h7fA1 THR 371 HA 0.05 0.02 0.54 -0.75 4.39 4.25 3h7fA1 THR 371 HB 0.17 0.08 0.19 -0.04 4.32 4.71 3h7fA1 THR 371 HG23 0.12 0.01 0.01 -0.04 1.22 1.32 3h7fA1 ARG 372 H 0.05 0.29 -0.34 -0.55 8.46 7.90 3h7fA1 ARG 372 HA -0.03 0.01 0.48 -0.75 4.34 4.05 3h7fA1 ARG 372 HB2 -0.06 -0.05 0.12 -0.04 1.90 1.87 3h7fA1 ARG 372 HB3 -0.16 0.03 0.18 -0.04 1.80 1.81 3h7fA1 ARG 372 HG2 0.03 -0.04 -0.07 -0.04 1.67 1.55 3h7fA1 ARG 372 HG3 -0.04 0.04 0.05 -0.04 1.67 1.68 3h7fA1 ARG 372 HD2 -0.17 -0.08 0.05 -0.04 3.22 2.98 3h7fA1 ARG 372 HD3 -0.24 -0.11 0.04 -0.04 3.22 2.87 3h7fA1 GLY 373 H 0.05 0.25 -0.40 -0.55 8.43 7.79 3h7fA1 GLY 373 HA2 0.13 0.02 0.20 -0.51 4.01 3.86 3h7fA1 GLY 373 HA3 0.28 0.13 0.70 -0.51 4.01 4.61 3h7fA1 PHE 374 H 0.04 0.44 0.12 -0.55 8.34 8.39 3h7fA1 PHE 374 HA -0.71 -0.02 0.41 -0.75 4.62 3.55 3h7fA1 PHE 374 HB2 -0.54 0.03 -0.20 -0.04 3.15 2.39 3h7fA1 PHE 374 HB3 -1.13 -0.06 -0.13 -0.04 3.06 1.69 3h7fA1 PHE 374 HD2 -0.96 -0.03 -0.16 -0.04 7.28 6.08 3h7fA1 PHE 374 HE2 -0.30 0.07 -0.08 -0.04 7.38 7.04 3h7fA1 PHE 374 HZ -0.16 0.03 -0.13 -0.04 7.32 7.02 3h7fA1 GLY 375 H -0.15 0.03 0.17 -0.55 8.43 7.93 3h7fA1 GLY 375 HA2 0.20 0.27 0.71 -0.51 4.01 4.68 3h7fA1 GLY 375 HA3 0.08 0.02 0.42 -0.51 4.01 4.02 3h7fA1 ASP 376 H 0.09 0.21 0.14 -0.55 8.40 8.30 3h7fA1 ASP 376 HA 0.19 0.09 0.17 -0.75 4.63 4.34 3h7fA1 ASP 376 HB2 0.05 -0.00 0.13 -0.04 2.71 2.85 3h7fA1 ASP 376 HB3 0.06 0.05 -0.02 -0.04 2.70 2.75 3h7fA1 THR 377 H 0.02 0.12 -0.03 -0.55 8.28 7.84 3h7fA1 THR 377 HA -0.00 0.10 0.49 -0.75 4.39 4.23 3h7fA1 THR 377 HB -0.02 -0.01 0.08 -0.04 4.32 4.33 3h7fA1 THR 377 HG23 -0.03 0.03 -0.07 -0.04 1.22 1.11 3h7fA1 GLU 378 H -0.16 0.11 -0.29 -0.55 8.60 7.71 3h7fA1 GLU 378 HA -0.32 0.10 0.38 -0.75 4.29 3.70 3h7fA1 GLU 378 HB2 -0.73 0.03 0.13 -0.04 2.09 1.48 3h7fA1 GLU 378 HB3 -1.58 0.06 0.01 -0.04 1.99 0.44 3h7fA1 GLU 378 HG2 -1.40 0.14 0.01 -0.04 2.34 1.04 3h7fA1 GLU 378 HG3 -0.48 0.05 -0.01 -0.04 2.34 1.86 3h7fA1 PHE 379 H -0.01 0.46 -0.07 -0.55 8.34 8.18 3h7fA1 PHE 379 HA 0.07 0.04 0.45 -0.75 4.62 4.44 3h7fA1 PHE 379 HB2 0.02 0.03 0.02 -0.04 3.15 3.18 3h7fA1 PHE 379 HB3 0.03 0.01 -0.01 -0.04 3.06 3.05 3h7fA1 PHE 379 HD2 0.07 -0.02 -0.18 -0.04 7.28 7.11 3h7fA1 PHE 379 HE2 0.05 0.09 -0.14 -0.04 7.38 7.34 3h7fA1 PHE 379 HZ 0.01 -0.00 -0.09 -0.04 7.32 7.20 3h7fA1 THR 380 H 0.08 0.52 -0.24 -0.55 8.28 8.09 3h7fA1 THR 380 HA 0.06 0.03 0.51 -0.75 4.39 4.24 3h7fA1 THR 380 HB 0.01 0.15 0.17 -0.04 4.32 4.61 3h7fA1 THR 380 HG23 0.01 -0.02 -0.09 -0.04 1.22 1.09 3h7fA1 GLU 381 H -0.02 0.39 -0.17 -0.55 8.60 8.25 3h7fA1 GLU 381 HA -0.00 0.01 0.47 -0.75 4.29 4.02 3h7fA1 GLU 381 HB2 -0.04 -0.00 0.11 -0.04 2.09 2.12 3h7fA1 GLU 381 HB3 -0.09 0.12 0.21 -0.04 1.99 2.19 3h7fA1 GLU 381 HG2 -0.05 0.03 -0.00 -0.04 2.34 2.28 3h7fA1 GLU 381 HG3 -0.02 0.00 -0.23 -0.04 2.34 2.06 3h7fA1 VAL 382 H 0.00 0.59 0.01 -0.55 8.24 8.30 3h7fA1 VAL 382 HA 0.06 0.02 0.40 -0.75 4.13 3.85 3h7fA1 VAL 382 HB 0.13 -0.04 0.00 -0.04 2.12 2.18 3h7fA1 VAL 382 HG13 0.14 0.08 0.03 -0.04 0.97 1.18 3h7fA1 VAL 382 HG23 0.25 -0.01 0.04 -0.04 0.95 1.19 3h7fA1 ALA 383 H 0.10 0.64 -0.25 -0.55 8.40 8.35 3h7fA1 ALA 383 HA 0.06 -0.03 0.36 -0.75 4.34 3.98 3h7fA1 ALA 383 HB3 0.05 0.02 0.02 -0.04 1.41 1.46 3h7fA1 ASP 384 H 0.03 0.47 -0.26 -0.55 8.40 8.09 3h7fA1 ASP 384 HA 0.02 0.00 0.44 -0.75 4.63 4.33 3h7fA1 ASP 384 HB2 0.01 0.10 0.13 -0.04 2.71 2.91 3h7fA1 ASP 384 HB3 0.01 0.07 0.08 -0.04 2.70 2.82 3h7fA1 ILE 385 H 0.02 0.53 -0.10 -0.55 8.25 8.15 3h7fA1 ILE 385 HA 0.02 -0.01 0.47 -0.75 4.18 3.90 3h7fA1 ILE 385 HB 0.03 0.11 0.13 -0.04 1.89 2.12 3h7fA1 ILE 385 HG12 0.01 -0.05 0.03 -0.04 1.49 1.44 3h7fA1 ILE 385 HG13 0.01 0.08 0.02 -0.04 1.21 1.28 3h7fA1 ILE 385 HG23 0.02 -0.01 -0.09 -0.04 0.93 0.81 3h7fA1 ILE 385 HD13 0.02 -0.00 -0.15 -0.04 0.88 0.70 3h7fA1 ILE 386 H 0.03 0.53 -0.13 -0.55 8.25 8.13 3h7fA1 ILE 386 HA 0.02 -0.00 0.29 -0.75 4.18 3.73 3h7fA1 ILE 386 HB 0.03 0.12 0.09 -0.04 1.89 2.09 3h7fA1 ILE 386 HG12 0.04 -0.06 -0.05 -0.04 1.49 1.38 3h7fA1 ILE 386 HG13 0.04 0.12 0.02 -0.04 1.21 1.35 3h7fA1 ILE 386 HG23 0.02 -0.02 -0.21 -0.04 0.93 0.68 3h7fA1 ILE 386 HD13 0.05 -0.02 -0.12 -0.04 0.88 0.75 3h7fA1 ALA 387 H 0.02 0.62 -0.13 -0.55 8.40 8.37 3h7fA1 ALA 387 HA 0.01 0.01 0.34 -0.75 4.34 3.94 3h7fA1 ALA 387 HB3 0.01 0.01 0.01 -0.04 1.41 1.40 3h7fA1 THR 388 H 0.01 0.53 -0.25 -0.55 8.28 8.01 3h7fA1 THR 388 HA 0.01 -0.01 0.37 -0.75 4.39 4.01 3h7fA1 THR 388 HB 0.01 0.10 0.12 -0.04 4.32 4.52 3h7fA1 THR 388 HG23 0.01 -0.03 -0.06 -0.04 1.22 1.09 3h7fA1 ALA 389 H 0.01 0.51 -0.14 -0.55 8.40 8.23 3h7fA1 ALA 389 HA 0.01 -0.02 0.39 -0.75 4.34 3.96 3h7fA1 ALA 389 HB3 0.01 0.01 0.01 -0.04 1.41 1.41 3h7fA1 LEU 390 H 0.01 0.52 -0.20 -0.55 8.37 8.15 3h7fA1 LEU 390 HA 0.00 0.00 0.30 -0.75 4.35 3.90 3h7fA1 LEU 390 HB2 0.00 0.08 0.03 -0.04 1.64 1.71 3h7fA1 LEU 390 HB3 -0.00 -0.03 -0.01 -0.04 1.64 1.56 3h7fA1 LEU 390 HG 0.01 0.14 -0.03 -0.04 1.64 1.72 3h7fA1 LEU 390 HD13 -0.00 -0.02 -0.14 -0.04 0.93 0.73 3h7fA1 LEU 390 HD23 0.01 -0.03 -0.11 -0.04 0.89 0.72 3h7fA1 ALA 391 H 0.00 0.34 -0.29 -0.55 8.40 7.91 3h7fA1 ALA 391 HA -0.00 0.14 0.66 -0.75 4.34 4.38 3h7fA1 ALA 391 HB3 0.00 -0.01 -0.04 -0.04 1.41 1.31 3h7fA1 THR 392 H 0.00 0.43 -0.06 -0.55 8.28 8.11 3h7fA1 THR 392 HA 0.00 0.11 0.14 -0.75 4.39 3.89 3h7fA1 THR 392 HB 0.00 -0.08 0.02 -0.04 4.32 4.22 3h7fA1 THR 392 HG23 0.00 0.02 0.03 -0.04 1.22 1.23 3h7fA1 GLY 393 H 0.00 0.20 -0.33 -0.55 8.43 7.75 3h7fA1 GLY 393 HA2 0.00 0.07 0.25 -0.51 4.01 3.82 3h7fA1 GLY 393 HA3 0.00 -0.00 0.26 -0.51 4.01 3.76 3h7fA1 SER 394 H 0.00 0.13 0.18 -0.55 8.46 8.23 3h7fA1 SER 394 HA 0.00 0.05 0.43 -0.75 4.49 4.22 3h7fA1 SER 395 H 0.00 0.29 -0.24 -0.55 8.46 7.97 3h7fA1 SER 395 HA 0.00 0.07 0.41 -0.75 4.49 4.22 3h7fA1 VAL 396 H 0.00 0.31 -0.66 -0.55 8.24 7.35 3h7fA1 VAL 396 HA 0.00 0.01 0.32 -0.75 4.13 3.70 3h7fA1 VAL 396 HB 0.01 0.12 -0.07 -0.04 2.12 2.13 3h7fA1 VAL 396 HG13 0.01 0.01 0.03 -0.04 0.97 0.97 3h7fA1 VAL 396 HG23 0.01 -0.04 -0.23 -0.04 0.95 0.64 3h7fA1 ASP 397 H 0.00 0.18 0.12 -0.55 8.40 8.16 3h7fA1 ASP 397 HA 0.00 0.13 0.68 -0.75 4.63 4.70 3h7fA1 ASP 397 HB2 0.00 0.15 0.12 -0.04 2.71 2.95 3h7fA1 ASP 397 HB3 0.00 -0.02 0.23 -0.04 2.70 2.87 3h7fA1 VAL 398 H 0.01 0.39 0.09 -0.55 8.24 8.17 3h7fA1 VAL 398 HA 0.01 0.09 0.27 -0.75 4.13 3.74 3h7fA1 VAL 398 HB 0.01 -0.03 0.12 -0.04 2.12 2.17 3h7fA1 VAL 398 HG13 0.00 0.01 -0.19 -0.04 0.97 0.75 3h7fA1 VAL 398 HG23 0.01 0.05 0.00 -0.04 0.95 0.97 3h7fA1 SER 399 H 0.00 0.10 -0.16 -0.55 8.46 7.86 3h7fA1 SER 399 HA -0.00 0.13 0.34 -0.75 4.49 4.21 3h7fA1 SER 399 HB2 0.00 0.03 0.08 -0.04 3.95 4.02 3h7fA1 SER 399 HB3 0.00 -0.02 0.04 -0.04 3.93 3.90 3h7fA1 ALA 400 H 0.00 0.12 -0.20 -0.55 8.40 7.78 3h7fA1 ALA 400 HA 0.00 0.06 0.48 -0.75 4.34 4.13 3h7fA1 ALA 400 HB3 0.00 0.03 0.08 -0.04 1.41 1.48 3h7fA1 LEU 401 H 0.00 0.38 -0.16 -0.55 8.37 8.05 3h7fA1 LEU 401 HA 0.01 0.02 0.48 -0.75 4.35 4.11 3h7fA1 LEU 401 HB2 0.01 0.10 0.12 -0.04 1.64 1.82 3h7fA1 LEU 401 HB3 0.01 0.01 0.05 -0.04 1.64 1.66 3h7fA1 LEU 401 HG 0.01 0.10 0.02 -0.04 1.64 1.72 3h7fA1 LEU 401 HD13 0.01 0.00 -0.10 -0.04 0.93 0.81 3h7fA1 LEU 401 HD23 0.01 -0.02 -0.02 -0.04 0.89 0.82 3h7fA1 LYS 402 H -0.00 0.53 -0.03 -0.55 8.42 8.37 3h7fA1 LYS 402 HA -0.00 0.23 0.49 -0.75 4.32 4.28 3h7fA1 LYS 402 HB2 -0.01 0.14 0.19 -0.04 1.87 2.15 3h7fA1 LYS 402 HB3 -0.01 -0.01 0.12 -0.04 1.79 1.86 3h7fA1 LYS 402 HG2 -0.01 -0.09 -0.05 -0.04 1.46 1.26 3h7fA1 LYS 402 HG3 -0.03 0.04 -0.04 -0.04 1.46 1.38 3h7fA1 LYS 402 HD2 -0.02 0.01 0.04 -0.04 1.69 1.69 3h7fA1 LYS 402 HD3 -0.01 -0.08 -0.02 -0.04 1.68 1.53 3h7fA1 LYS 402 HE2 -0.05 0.14 0.03 -0.04 2.99 3.07 3h7fA1 LYS 402 HE3 -0.02 -0.08 -0.00 -0.04 2.99 2.84 3h7fA1 ASP 403 H 0.00 0.42 -0.18 -0.55 8.40 8.09 3h7fA1 ASP 403 HA 0.00 0.01 0.37 -0.75 4.63 4.26 3h7fA1 ASP 403 HB2 0.00 0.11 0.14 -0.04 2.71 2.91 3h7fA1 ASP 403 HB3 0.00 -0.05 0.03 -0.04 2.70 2.65 3h7fA1 ARG 404 H 0.00 0.39 -0.19 -0.55 8.46 8.11 3h7fA1 ARG 404 HA 0.00 0.01 0.58 -0.75 4.34 4.18 3h7fA1 ARG 404 HB2 0.01 0.18 0.17 -0.04 1.90 2.21 3h7fA1 ARG 404 HB3 0.00 -0.05 0.00 -0.04 1.80 1.71 3h7fA1 ARG 404 HG2 -0.00 -0.05 0.04 -0.04 1.67 1.62 3h7fA1 ARG 404 HG3 0.00 0.03 0.06 -0.04 1.67 1.72 3h7fA1 ARG 404 HD2 0.00 -0.05 -0.03 -0.04 3.22 3.11 3h7fA1 ARG 404 HD3 0.00 0.03 -0.02 -0.04 3.22 3.20 3h7fA1 ALA 405 H 0.01 0.47 -0.14 -0.55 8.40 8.20 3h7fA1 ALA 405 HA 0.04 -0.01 0.55 -0.75 4.34 4.17 3h7fA1 ALA 405 HB3 0.02 0.03 0.16 -0.04 1.41 1.58 3h7fA1 THR 406 H 0.01 0.51 -0.01 -0.55 8.28 8.24 3h7fA1 THR 406 HA 0.03 0.00 0.51 -0.75 4.39 4.18 3h7fA1 THR 406 HB 0.01 0.00 0.10 -0.04 4.32 4.39 3h7fA1 THR 406 HG23 0.01 -0.03 0.11 -0.04 1.22 1.26 3h7fA1 ARG 407 H 0.02 0.45 -0.24 -0.55 8.46 8.14 3h7fA1 ARG 407 HA 0.02 0.02 0.43 -0.75 4.34 4.05 3h7fA1 LEU 408 H 0.03 0.38 -0.19 -0.55 8.37 8.05 3h7fA1 LEU 408 HA 0.05 -0.01 0.43 -0.75 4.35 4.06 3h7fA1 LEU 408 HB2 0.06 0.17 0.18 -0.04 1.64 2.01 3h7fA1 LEU 408 HB3 0.07 -0.01 -0.06 -0.04 1.64 1.61 3h7fA1 LEU 408 HG -0.05 0.04 0.06 -0.04 1.64 1.65 3h7fA1 LEU 408 HD13 -0.06 -0.02 0.01 -0.04 0.93 0.82 3h7fA1 LEU 408 HD23 -0.37 -0.03 0.03 -0.04 0.89 0.48 3h7fA1 ALA 409 H 0.10 0.45 -0.11 -0.55 8.40 8.29 3h7fA1 ALA 409 HA 0.19 0.04 0.38 -0.75 4.34 4.20 3h7fA1 ALA 409 HB3 0.07 0.05 0.07 -0.04 1.41 1.55 3h7fA1 ARG 410 H 0.06 0.50 -0.19 -0.55 8.46 8.28 3h7fA1 ARG 410 HA 0.03 0.00 0.29 -0.75 4.34 3.91 3h7fA1 ARG 410 HB2 0.02 0.11 0.14 -0.04 1.90 2.13 3h7fA1 ARG 410 HB3 0.01 -0.09 0.02 -0.04 1.80 1.69 3h7fA1 ARG 410 HG2 0.01 -0.05 0.02 -0.04 1.67 1.62 3h7fA1 ARG 410 HG3 0.02 0.19 0.06 -0.04 1.67 1.91 3h7fA1 ARG 410 HD2 0.00 -0.05 -0.00 -0.04 3.22 3.13 3h7fA1 ARG 410 HD3 0.00 -0.06 -0.02 -0.04 3.22 3.10 3h7fA1 ALA 411 H 0.10 0.33 -0.46 -0.55 8.40 7.82 3h7fA1 ALA 411 HA -0.07 0.00 0.45 -0.75 4.34 3.97 3h7fA1 ALA 411 HB3 -0.00 -0.01 0.09 -0.04 1.41 1.45 3h7fA1 PHE 412 H 0.25 0.42 -0.31 -0.55 8.34 8.15 3h7fA1 PHE 412 HA 0.02 0.10 0.85 -0.75 4.62 4.84 3h7fA1 PHE 412 HB2 0.23 0.01 0.12 -0.04 3.15 3.48 3h7fA1 PHE 412 HB3 0.12 0.15 0.06 -0.04 3.06 3.34 3h7fA1 PHE 412 HD2 0.03 0.17 -0.07 -0.04 7.28 7.37 3h7fA1 PHE 412 HE2 -0.10 0.00 -0.05 -0.04 7.38 7.19 3h7fA1 PHE 412 HZ -0.12 -0.14 -0.02 -0.04 7.32 6.99 3h7fA1 PRO 413 HA 0.01 0.09 0.37 -0.51 4.44 4.40 3h7fA1 PRO 413 HB2 -0.01 -0.11 -0.00 -0.04 2.28 2.12 3h7fA1 PRO 413 HB3 -0.02 -0.03 0.06 -0.04 2.02 2.00 3h7fA1 PRO 413 HG2 -0.03 -0.06 0.05 -0.04 2.03 1.95 3h7fA1 PRO 413 HG3 -0.03 0.13 0.03 -0.04 2.03 2.12 3h7fA1 PRO 413 HD2 -0.05 0.02 0.16 -0.04 3.68 3.77 3h7fA1 PRO 413 HD3 -0.09 0.31 -0.30 -0.04 3.65 3.53 3h7fA1 LEU 414 H -0.05 0.17 0.21 -0.55 8.37 8.15 3h7fA1 LEU 414 HA -0.22 0.14 0.84 -0.75 4.35 4.36 3h7fA1 LEU 414 HB2 -0.27 0.19 0.09 -0.04 1.64 1.60 3h7fA1 LEU 414 HB3 -0.16 -0.03 0.14 -0.04 1.64 1.54 3h7fA1 LEU 414 HG -0.51 -0.08 -0.18 -0.04 1.64 0.83 3h7fA1 LEU 414 HD13 -0.98 -0.02 0.04 -0.04 0.93 -0.07 3h7fA1 LEU 414 HD23 -0.62 0.00 -0.17 -0.04 0.89 0.07 3h7fA1 TYR 415 H -0.27 0.20 0.12 -0.55 8.29 7.79 3h7fA1 TYR 415 HA 0.11 0.03 0.30 -0.75 4.56 4.24 3h7fA1 TYR 415 HB2 -0.12 0.16 -0.11 -0.04 3.06 2.94 3h7fA1 TYR 415 HB3 -0.21 -0.11 0.18 -0.04 2.98 2.79 3h7fA1 TYR 415 HD2 0.11 0.00 -0.05 -0.04 7.15 7.17 3h7fA1 TYR 415 HE2 0.11 0.05 -0.02 -0.04 6.85 6.95 3h7fA1 ASP 416 H 0.05 0.15 -0.28 -0.55 8.40 7.77 3h7fA1 ASP 416 HA -0.06 0.04 0.40 -0.75 4.63 4.26 3h7fA1 ASP 416 HB2 0.01 0.08 -0.04 -0.04 2.71 2.72 3h7fA1 ASP 416 HB3 0.06 -0.01 0.07 -0.04 2.70 2.79 3h7fA1 GLY 417 H -0.19 0.14 0.23 -0.55 8.43 8.07 3h7fA1 GLY 417 HA2 -0.19 0.00 0.32 -0.51 4.01 3.63 3h7fA1 GLY 417 HA3 -0.08 0.21 0.66 -0.51 4.01 4.29 3h7fA1 LEU 418 H -0.82 0.54 -0.09 -0.55 8.37 7.45 3h7fA1 LEU 418 HA -2.25 0.03 0.35 -0.75 4.35 1.73 3h7fA1 LEU 418 HB2 -0.81 0.07 0.13 -0.04 1.64 1.00 3h7fA1 LEU 418 HB3 -0.45 0.01 0.12 -0.04 1.64 1.28 3h7fA1 LEU 418 HG -0.25 -0.02 0.04 -0.04 1.64 1.37 3h7fA1 LEU 418 HD13 -0.36 -0.00 0.00 -0.04 0.93 0.53 3h7fA1 LEU 418 HD23 -0.19 0.00 -0.21 -0.04 0.89 0.46 3h7fA1 GLU 419 H -0.35 0.06 -0.23 -0.55 8.60 7.52 3h7fA1 GLU 419 HA -0.15 0.08 0.37 -0.75 4.29 3.83 3h7fA1 GLU 419 HB2 -0.15 -0.04 0.01 -0.04 2.09 1.87 3h7fA1 GLU 419 HB3 -0.09 0.03 0.03 -0.04 1.99 1.92 3h7fA1 GLU 419 HG2 -0.08 0.01 0.02 -0.04 2.34 2.25 3h7fA1 GLU 419 HG3 -0.11 0.01 0.03 -0.04 2.34 2.23 3h7fA1 GLU 420 H -0.28 0.44 -0.40 -0.55 8.60 7.81 3h7fA1 GLU 420 HA -0.01 0.16 0.88 -0.75 4.29 4.57 3h7fA1 TRP 421 H -0.07 0.28 -0.02 -0.55 7.97 7.61 3h7fA1 TRP 421 HA 0.00 -0.01 0.40 -0.75 4.62 4.27 3h7fA1 TRP 421 HB2 -0.00 0.06 0.09 -0.04 3.23 3.34 3h7fA1 TRP 421 HB3 0.00 0.05 0.00 -0.04 3.23 3.25 3h7fA1 TRP 421 HD1 0.01 -0.02 -0.15 -0.04 7.22 7.02 3h7fA1 TRP 421 HE1 0.02 0.01 -0.10 -0.04 10.20 10.10 3h7fA1 TRP 421 HE3 0.00 0.05 -0.01 -0.04 7.59 7.60 3h7fA1 TRP 421 HZ2 0.06 0.16 -0.12 -0.04 7.44 7.49 3h7fA1 TRP 421 HZ3 0.11 -0.02 -0.00 -0.04 7.13 7.18 3h7fA1 TRP 421 HH2 0.19 -0.04 -0.05 -0.04 7.19 7.25 3h7fA1 SER 422 H 0.15 0.09 0.11 -0.55 8.46 8.26 3h7fA1 SER 422 HA 0.08 0.09 0.61 -0.75 4.49 4.51 3h7fA1 SER 422 HB2 0.06 -0.01 0.09 -0.04 3.95 4.05 3h7fA1 SER 422 HB3 0.03 0.11 -0.14 -0.04 3.93 3.89 3h7fA1 LEU 423 H 0.04 0.10 0.14 -0.55 8.37 8.10 3h7fA1 LEU 423 HA 0.04 0.10 0.54 -0.75 4.35 4.28 3h7fA1 LEU 423 HB2 0.02 -0.07 0.15 -0.04 1.64 1.69 3h7fA1 LEU 423 HB3 0.01 0.02 -0.04 -0.04 1.64 1.59 3h7fA1 LEU 423 HG 0.02 -0.01 0.07 -0.04 1.64 1.68 3h7fA1 LEU 423 HD13 0.01 -0.00 0.04 -0.04 0.93 0.93 3h7fA1 LEU 423 HD23 0.02 0.03 0.04 -0.04 0.89 0.94 3h7fA1 VAL 424 H 0.01 0.13 -0.00 -0.55 8.24 7.83 3h7fA1 VAL 424 HA -0.01 0.20 0.72 -0.75 4.13 4.29 3h7fA1 VAL 424 HB -0.01 -0.05 -0.00 -0.04 2.12 2.02 3h7fA1 VAL 424 HG13 -0.01 0.00 -0.15 -0.04 0.97 0.77 3h7fA1 VAL 424 HG23 -0.00 -0.01 -0.06 -0.04 0.95 0.84 3h7fA1 GLY 425 H -0.02 0.09 -0.01 -0.55 8.43 7.94 3h7fA1 GLY 425 HA2 -0.02 0.05 0.17 -0.51 4.01 3.70 3h7fA1 GLY 425 HA3 -0.01 0.19 0.54 -0.51 4.01 4.22