============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 30 rings ring int. center anis. iso. HIS 5 0.900 -19.648 0.371 -9.645 -99.200 -91.000 PHE 16 1.000 -10.938 1.362 -2.106 -99.200 -91.000 PHE 17 1.000 -7.096 1.946 -7.741 -99.200 -91.000 TRP 20 1.040 -9.071 5.347 -5.326 -99.200 -91.000 TRP6 20 1.020 -7.742 5.995 -3.505 -99.200 -91.000 HIS 22 0.900 -16.747 9.103 -11.328 -99.200 -91.000 PHE 23 1.000 -13.636 9.607 -5.354 -99.200 -91.000 TYR 30 0.840 -1.495 6.791 -1.697 -99.200 -91.000 PHE 61 1.000 -12.386 9.371 3.693 -99.200 -91.000 TYR 65 0.840 -9.584 11.692 4.793 -99.200 -91.000 HIS 80 0.900 -10.989 2.895 6.349 -99.200 -91.000 PHE 88 1.000 -11.308 -5.864 0.990 -99.200 -91.000 PHE 92 1.000 -7.454 -3.224 1.832 -99.200 -91.000 PHE 103 1.000 2.212 -3.496 5.818 -99.200 -91.000 TRP 107 1.040 5.724 -7.942 1.528 -99.200 -91.000 TRP6 107 1.020 4.814 -7.867 -0.616 -99.200 -91.000 TYR 110 0.840 2.286 -13.401 3.565 -99.200 -91.000 HIS 114 0.900 11.017 -14.058 4.179 -99.200 -91.000 PHE 117 1.000 9.343 -8.012 -6.194 -99.200 -91.000 PHE 126 1.000 -0.244 -10.668 2.448 -99.200 -91.000 TYR 146 0.840 -7.068 -7.492 0.932 -99.200 -91.000 PHE 154 1.000 2.810 -2.990 -6.720 -99.200 -91.000 PHE 177 1.000 10.315 1.738 3.539 -99.200 -91.000 PHE 181 1.000 13.511 3.567 0.301 -99.200 -91.000 PHE 191 1.000 16.172 -4.484 -7.443 -99.200 -91.000 PHE 195 1.000 19.592 -8.491 -4.491 -99.200 -91.000 TYR 198 0.840 23.015 -0.763 -1.321 -99.200 -91.000 TYR 205 0.840 21.455 -12.565 3.573 -99.200 -91.000 TYR 234 0.840 13.640 6.488 4.599 -99.200 -91.000 TYR 248 0.840 18.017 -14.289 1.494 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2f33A9 MET 1 H -0.08 0.00 0.08 -0.55 8.47 7.91 2f33A9 MET 1 HA -0.01 0.02 0.14 -0.75 4.52 3.92 2f33A9 MET 1 HB2 -0.10 -0.06 0.03 -0.04 2.15 1.98 2f33A9 MET 1 HB3 -0.14 0.07 0.03 -0.04 2.03 1.95 2f33A9 MET 1 HG2 -0.34 0.08 -0.05 -0.04 2.63 2.28 2f33A9 MET 1 HG3 -0.41 -0.03 -0.05 -0.04 2.56 2.03 2f33A9 MET 1 HE3 -0.51 -0.03 -0.30 -0.04 2.10 1.21 2f33A9 ALA 2 H 0.17 0.34 0.10 -0.55 8.40 8.47 2f33A9 ALA 2 HA 0.04 0.00 0.39 -0.75 4.34 4.02 2f33A9 ALA 2 HB3 0.18 0.07 0.05 -0.04 1.41 1.67 2f33A9 GLU 3 H 0.11 0.10 -0.18 -0.55 8.60 8.08 2f33A9 GLU 3 HA 0.07 0.10 0.31 -0.75 4.29 4.01 2f33A9 GLU 3 HB2 0.07 -0.04 0.05 -0.04 2.09 2.13 2f33A9 GLU 3 HB3 0.05 0.02 -0.10 -0.04 1.99 1.92 2f33A9 GLU 3 HG2 0.04 0.02 -0.06 -0.04 2.34 2.30 2f33A9 GLU 3 HG3 0.04 0.08 0.03 -0.04 2.34 2.45 2f33A9 SER 4 H 0.11 0.22 -0.64 -0.55 8.46 7.61 2f33A9 SER 4 HA 0.02 0.17 0.56 -0.75 4.49 4.50 2f33A9 SER 4 HB2 0.07 -0.06 0.04 -0.04 3.95 3.96 2f33A9 SER 4 HB3 0.25 -0.01 0.12 -0.04 3.93 4.25 2f33A9 HIS 5 H 0.44 0.33 0.09 -0.55 8.41 8.73 2f33A9 HIS 5 HA -0.02 0.07 0.52 -0.75 4.63 4.45 2f33A9 HIS 5 HB2 -0.01 -0.01 -0.04 -0.04 3.26 3.16 2f33A9 HIS 5 HB3 -0.02 -0.05 -0.04 -0.04 3.20 3.05 2f33A9 HIS 5 HD2 -0.03 -0.09 -0.03 -0.04 6.97 6.77 2f33A9 HIS 5 HE1 -0.04 0.02 -0.02 -0.04 7.75 7.67 2f33A9 LEU 6 H 0.13 0.60 0.09 -0.55 8.37 8.64 2f33A9 LEU 6 HA 0.07 -0.00 0.38 -0.75 4.35 4.04 2f33A9 LEU 6 HB2 0.10 -0.06 0.11 -0.04 1.64 1.74 2f33A9 LEU 6 HB3 0.07 0.05 -0.14 -0.04 1.64 1.58 2f33A9 LEU 6 HG 0.08 0.01 -0.02 -0.04 1.64 1.67 2f33A9 LEU 6 HD13 0.08 -0.01 0.00 -0.04 0.93 0.96 2f33A9 LEU 6 HD23 0.19 -0.02 -0.09 -0.04 0.89 0.92 2f33A9 GLN 7 H 0.05 0.16 -0.62 -0.55 8.47 7.52 2f33A9 GLN 7 HA 0.01 0.16 0.78 -0.75 4.36 4.57 2f33A9 GLN 7 HB2 0.02 0.12 0.09 -0.04 2.15 2.34 2f33A9 GLN 7 HB3 0.01 0.00 0.16 -0.04 2.02 2.15 2f33A9 GLN 7 HG2 0.04 -0.19 -0.22 -0.04 2.40 1.99 2f33A9 GLN 7 HG3 0.03 0.19 0.12 -0.04 2.39 2.69 2f33A9 GLN 7 HE21 0.05 -0.20 -0.55 -0.04 6.97 6.23 2f33A9 GLN 7 HE22 0.03 -0.05 -0.25 -0.04 7.69 7.38 2f33A9 SER 8 H 0.01 0.21 -0.57 -0.55 8.46 7.57 2f33A9 SER 8 HA -0.03 0.16 0.90 -0.75 4.49 4.77 2f33A9 SER 8 HB2 -0.06 0.86 0.32 -0.04 3.95 5.02 2f33A9 SER 8 HB3 -0.06 -0.06 0.21 -0.04 3.93 3.98 2f33A9 SER 9 H -0.06 0.02 0.12 -0.55 8.46 7.99 2f33A9 SER 9 HA -0.04 0.03 0.32 -0.75 4.49 4.05 2f33A9 SER 9 HB2 -0.06 -0.05 0.01 -0.04 3.95 3.81 2f33A9 SER 9 HB3 -0.05 0.04 -0.10 -0.04 3.93 3.78 2f33A9 LEU 10 H -0.04 0.02 0.11 -0.55 8.37 7.91 2f33A9 LEU 10 HA -0.06 0.59 0.82 -0.75 4.35 4.95 2f33A9 LEU 10 HB2 -0.06 -0.05 0.00 -0.04 1.64 1.50 2f33A9 LEU 10 HB3 -0.04 -0.11 0.19 -0.04 1.64 1.64 2f33A9 LEU 10 HG -0.12 0.29 0.04 -0.04 1.64 1.82 2f33A9 LEU 10 HD13 -0.06 -0.09 -0.00 -0.04 0.93 0.74 2f33A9 LEU 10 HD23 -0.05 -0.05 0.08 -0.04 0.89 0.83 2f33A9 ILE 11 H -0.06 0.40 0.27 -0.55 8.25 8.31 2f33A9 ILE 11 HA -0.07 -0.03 0.57 -0.75 4.18 3.90 2f33A9 ILE 11 HB 0.01 -0.09 -0.05 -0.04 1.89 1.72 2f33A9 ILE 11 HG12 0.07 -0.05 -0.06 -0.04 1.49 1.41 2f33A9 ILE 11 HG13 -0.01 0.40 0.06 -0.04 1.21 1.61 2f33A9 ILE 11 HG23 0.07 -0.06 -0.01 -0.04 0.93 0.90 2f33A9 ILE 11 HD13 0.02 -0.04 -0.18 -0.04 0.88 0.64 2f33A9 THR 12 H -0.10 0.03 0.17 -0.55 8.28 7.84 2f33A9 THR 12 HA -0.54 0.22 0.37 -0.75 4.39 3.68 2f33A9 THR 12 HB -0.18 0.05 0.13 -0.04 4.32 4.27 2f33A9 THR 12 HG23 -0.08 0.05 0.12 -0.04 1.22 1.27 2f33A9 ALA 13 H -0.22 0.24 0.05 -0.55 8.40 7.93 2f33A9 ALA 13 HA 0.58 0.19 0.43 -0.75 4.34 4.79 2f33A9 ALA 13 HB3 0.28 0.05 -0.00 -0.04 1.41 1.70 2f33A9 SER 14 H -0.03 0.07 -0.15 -0.55 8.46 7.80 2f33A9 SER 14 HA -0.09 0.24 0.52 -0.75 4.49 4.40 2f33A9 SER 14 HB2 0.00 0.09 -0.07 -0.04 3.95 3.93 2f33A9 SER 14 HB3 -0.04 0.05 0.09 -0.04 3.93 3.99 2f33A9 GLN 15 H -0.03 0.04 -0.21 -0.55 8.47 7.72 2f33A9 GLN 15 HA -0.05 0.16 0.46 -0.75 4.36 4.16 2f33A9 GLN 15 HB2 0.03 0.08 0.06 -0.04 2.15 2.28 2f33A9 GLN 15 HB3 0.12 0.08 0.03 -0.04 2.02 2.20 2f33A9 GLN 15 HG2 0.02 0.02 -0.00 -0.04 2.40 2.40 2f33A9 GLN 15 HG3 -0.01 -0.13 0.09 -0.04 2.39 2.30 2f33A9 GLN 15 HE21 0.10 0.06 -0.01 -0.04 6.97 7.08 2f33A9 GLN 15 HE22 0.22 -0.00 -0.01 -0.04 7.69 7.86 2f33A9 PHE 16 H 0.04 0.52 -0.20 -0.55 8.34 8.16 2f33A9 PHE 16 HA -0.09 0.04 0.26 -0.75 4.62 4.08 2f33A9 PHE 16 HB2 -0.16 0.07 0.00 -0.04 3.15 3.02 2f33A9 PHE 16 HB3 -0.20 0.28 0.04 -0.04 3.06 3.14 2f33A9 PHE 16 HD2 -0.24 -0.11 -0.12 -0.04 7.28 6.78 2f33A9 PHE 16 HE2 -0.55 -0.08 -0.14 -0.04 7.38 6.58 2f33A9 PHE 16 HZ -0.66 -0.20 0.04 -0.04 7.32 6.46 2f33A9 PHE 17 H -0.47 -0.04 -1.22 -0.55 8.34 6.06 2f33A9 PHE 17 HA -1.47 0.04 0.37 -0.75 4.62 2.81 2f33A9 PHE 17 HB2 -0.95 0.22 0.18 -0.04 3.15 2.57 2f33A9 PHE 17 HB3 -0.39 0.01 0.22 -0.04 3.06 2.86 2f33A9 PHE 17 HD2 -0.50 -0.01 -0.07 -0.04 7.28 6.66 2f33A9 PHE 17 HE2 0.16 0.03 -0.03 -0.04 7.38 7.51 2f33A9 PHE 17 HZ 0.12 0.07 0.02 -0.04 7.32 7.49 2f33A9 GLU 18 H -0.14 0.14 -0.43 -0.55 8.60 7.62 2f33A9 GLU 18 HA -0.16 0.11 0.57 -0.75 4.29 4.06 2f33A9 GLU 18 HB2 -0.08 0.04 0.13 -0.04 2.09 2.14 2f33A9 GLU 18 HB3 -0.20 -0.01 0.25 -0.04 1.99 1.99 2f33A9 GLU 18 HG2 -0.22 -0.05 -0.05 -0.04 2.34 1.99 2f33A9 GLU 18 HG3 -0.22 -0.03 -0.16 -0.04 2.34 1.88 2f33A9 ILE 19 H -0.17 0.97 0.10 -0.55 8.25 8.60 2f33A9 ILE 19 HA -0.20 -0.03 0.31 -0.75 4.18 3.50 2f33A9 ILE 19 HB 0.01 0.14 -0.01 -0.04 1.89 1.98 2f33A9 ILE 19 HG12 -0.06 -0.10 -0.09 -0.04 1.49 1.19 2f33A9 ILE 19 HG13 -0.22 0.03 -0.04 -0.04 1.21 0.94 2f33A9 ILE 19 HG23 0.04 -0.02 -0.01 -0.04 0.93 0.90 2f33A9 ILE 19 HD13 0.07 -0.03 -0.46 -0.04 0.88 0.42 2f33A9 TRP 20 H -0.05 0.42 -0.58 -0.55 7.97 7.21 2f33A9 TRP 20 HA -1.52 0.04 0.54 -0.75 4.62 2.93 2f33A9 TRP 20 HB2 0.32 -0.09 0.03 -0.04 3.23 3.45 2f33A9 TRP 20 HB3 -0.03 0.39 0.10 -0.04 3.23 3.65 2f33A9 TRP 20 HD1 -0.81 0.58 0.03 -0.04 7.22 6.97 2f33A9 TRP 20 HE1 -1.21 0.02 -0.10 -0.04 10.20 8.86 2f33A9 TRP 20 HE3 0.19 -0.05 -0.04 -0.04 7.59 7.65 2f33A9 TRP 20 HZ2 -0.01 0.18 -0.39 -0.04 7.44 7.18 2f33A9 TRP 20 HZ3 0.07 0.01 -0.13 -0.04 7.13 7.03 2f33A9 TRP 20 HH2 -0.21 0.06 0.14 -0.04 7.19 7.14 2f33A9 LEU 21 H -0.13 0.20 -0.61 -0.55 8.37 7.28 2f33A9 LEU 21 HA -0.52 -0.01 0.45 -0.75 4.35 3.51 2f33A9 LEU 21 HB2 -0.42 0.45 0.35 -0.04 1.64 1.98 2f33A9 LEU 21 HB3 -0.23 0.02 0.12 -0.04 1.64 1.51 2f33A9 LEU 21 HG -0.20 0.03 0.06 -0.04 1.64 1.49 2f33A9 LEU 21 HD13 -0.47 -0.01 0.04 -0.04 0.93 0.46 2f33A9 LEU 21 HD23 -0.08 -0.02 -0.01 -0.04 0.89 0.74 2f33A9 HIS 22 H -0.33 0.42 -0.42 -0.55 8.41 7.54 2f33A9 HIS 22 HA -0.21 0.01 0.28 -0.75 4.63 3.95 2f33A9 HIS 22 HB2 -0.31 -0.06 0.13 -0.04 3.26 2.98 2f33A9 HIS 22 HB3 -0.54 0.16 0.16 -0.04 3.20 2.94 2f33A9 HIS 22 HD2 -0.11 0.07 0.09 -0.04 6.97 6.98 2f33A9 HIS 22 HE1 -0.02 -0.08 0.03 -0.04 7.75 7.64 2f33A9 PHE 23 H -1.00 0.23 -0.29 -0.55 8.34 6.73 2f33A9 PHE 23 HA -0.18 0.11 0.63 -0.75 4.62 4.43 2f33A9 PHE 23 HB2 -0.13 0.12 0.07 -0.04 3.15 3.16 2f33A9 PHE 23 HB3 -0.18 -0.01 0.00 -0.04 3.06 2.84 2f33A9 PHE 23 HD2 -0.17 0.01 -0.06 -0.04 7.28 7.03 2f33A9 PHE 23 HE2 0.03 -0.06 -0.02 -0.04 7.38 7.29 2f33A9 PHE 23 HZ 0.14 -0.04 -0.10 -0.04 7.32 7.29 2f33A9 ASP 24 H -0.29 0.23 -0.53 -0.55 8.40 7.27 2f33A9 ASP 24 HA -0.19 -0.06 0.53 -0.75 4.63 4.16 2f33A9 ASP 24 HB2 -0.82 0.36 0.02 -0.04 2.71 2.23 2f33A9 ASP 24 HB3 -0.44 0.02 0.25 -0.04 2.70 2.48 2f33A9 ALA 25 H -0.06 0.66 0.09 -0.55 8.40 8.54 2f33A9 ALA 25 HA -0.06 0.17 0.35 -0.75 4.34 4.04 2f33A9 ALA 25 HB3 -0.03 -0.00 0.10 -0.04 1.41 1.44 2f33A9 ASP 26 H -0.07 0.09 -0.02 -0.55 8.40 7.85 2f33A9 ASP 26 HA -0.03 0.17 0.51 -0.75 4.63 4.53 2f33A9 ASP 26 HB2 -0.05 -0.04 0.15 -0.04 2.71 2.74 2f33A9 ASP 26 HB3 -0.02 0.02 0.15 -0.04 2.70 2.80 2f33A9 GLY 27 H -0.09 0.31 -0.84 -0.55 8.43 7.27 2f33A9 GLY 27 HA2 -0.09 0.06 0.30 -0.51 4.01 3.77 2f33A9 GLY 27 HA3 -0.02 0.11 0.29 -0.51 4.01 3.88 2f33A9 SER 28 H -0.03 -0.07 -1.00 -0.55 8.46 6.82 2f33A9 SER 28 HA 0.05 0.16 0.39 -0.75 4.49 4.34 2f33A9 SER 28 HB2 0.00 -0.02 0.06 -0.04 3.95 3.95 2f33A9 SER 28 HB3 0.05 -0.03 0.00 -0.04 3.93 3.91 2f33A9 GLY 29 H 0.07 -0.03 -1.29 -0.55 8.43 6.63 2f33A9 GLY 29 HA2 0.34 0.01 0.21 -0.51 4.01 4.06 2f33A9 GLY 29 HA3 0.30 0.14 0.47 -0.51 4.01 4.41 2f33A9 TYR 30 H 0.08 0.05 -0.45 -0.55 8.29 7.41 2f33A9 TYR 30 HA 0.17 0.23 0.59 -0.75 4.56 4.79 2f33A9 TYR 30 HB2 0.04 -0.01 -0.29 -0.04 3.06 2.76 2f33A9 TYR 30 HB3 0.07 -0.16 -0.25 -0.04 2.98 2.60 2f33A9 TYR 30 HD2 0.17 -0.13 -0.81 -0.04 7.15 6.34 2f33A9 TYR 30 HE2 0.12 -0.05 -0.01 -0.04 6.85 6.86 2f33A9 LEU 31 H -0.44 0.52 0.19 -0.55 8.37 8.09 2f33A9 LEU 31 HA -0.38 0.01 0.45 -0.75 4.35 3.67 2f33A9 LEU 31 HB2 -0.15 0.02 0.20 -0.04 1.64 1.68 2f33A9 LEU 31 HB3 -0.12 0.01 0.08 -0.04 1.64 1.56 2f33A9 LEU 31 HG -0.06 -0.03 -0.01 -0.04 1.64 1.50 2f33A9 LEU 31 HD13 -0.18 -0.01 -0.33 -0.04 0.93 0.37 2f33A9 LEU 31 HD23 -1.04 -0.02 -0.09 -0.04 0.89 -0.30 2f33A9 GLU 32 H -0.12 0.13 0.35 -0.55 8.60 8.42 2f33A9 GLU 32 HA -0.00 0.21 0.81 -0.75 4.29 4.55 2f33A9 GLU 32 HB2 -0.04 -0.12 0.15 -0.04 2.09 2.04 2f33A9 GLU 32 HB3 -0.02 0.04 0.05 -0.04 1.99 2.01 2f33A9 GLU 32 HG2 0.02 -0.03 -0.18 -0.04 2.34 2.10 2f33A9 GLU 32 HG3 -0.01 0.11 0.03 -0.04 2.34 2.43 2f33A9 GLY 33 H -0.00 0.36 0.28 -0.55 8.43 8.51 2f33A9 GLY 33 HA2 -0.01 0.77 0.68 -0.51 4.01 4.94 2f33A9 GLY 33 HA3 -0.02 -0.08 0.53 -0.51 4.01 3.93 2f33A9 LYS 34 H -0.02 0.21 0.26 -0.55 8.42 8.32 2f33A9 LYS 34 HA -0.02 0.06 0.38 -0.75 4.32 3.98 2f33A9 LYS 34 HB2 -0.02 0.03 0.17 -0.04 1.87 2.01 2f33A9 LYS 34 HB3 -0.02 0.04 0.04 -0.04 1.79 1.80 2f33A9 LYS 34 HG2 -0.02 0.05 0.07 -0.04 1.46 1.52 2f33A9 LYS 34 HG3 -0.01 -0.03 0.14 -0.04 1.46 1.51 2f33A9 LYS 34 HD2 -0.01 0.01 0.05 -0.04 1.69 1.69 2f33A9 LYS 34 HD3 -0.01 0.04 0.03 -0.04 1.68 1.69 2f33A9 LYS 34 HE2 -0.01 0.02 0.03 -0.04 2.99 3.00 2f33A9 LYS 34 HE3 -0.01 -0.03 0.07 -0.04 2.99 2.98 2f33A9 GLU 35 H -0.04 0.25 -0.26 -0.55 8.60 8.00 2f33A9 GLU 35 HA -0.05 0.03 0.38 -0.75 4.29 3.91 2f33A9 GLU 35 HB2 -0.08 0.12 0.08 -0.04 2.09 2.17 2f33A9 GLU 35 HB3 -0.04 0.43 0.30 -0.04 1.99 2.64 2f33A9 GLU 35 HG2 -0.04 0.01 0.18 -0.04 2.34 2.46 2f33A9 GLU 35 HG3 -0.04 -0.05 0.18 -0.04 2.34 2.38 2f33A9 LEU 36 H -0.07 0.75 -0.68 -0.55 8.37 7.83 2f33A9 LEU 36 HA -0.25 0.03 0.59 -0.75 4.35 3.97 2f33A9 LEU 36 HB2 -0.06 0.07 -0.11 -0.04 1.64 1.49 2f33A9 LEU 36 HB3 -0.01 0.20 -0.04 -0.04 1.64 1.75 2f33A9 LEU 36 HG -0.03 -0.16 0.00 -0.04 1.64 1.41 2f33A9 LEU 36 HD13 -0.06 0.01 -0.00 -0.04 0.93 0.84 2f33A9 LEU 36 HD23 0.11 0.08 -0.07 -0.04 0.89 0.98 2f33A9 GLN 37 H -0.05 0.20 -0.05 -0.55 8.47 8.03 2f33A9 GLN 37 HA -0.02 0.08 0.41 -0.75 4.36 4.07 2f33A9 GLN 37 HB2 -0.01 -0.00 -0.07 -0.04 2.15 2.02 2f33A9 GLN 37 HB3 -0.03 -0.03 0.15 -0.04 2.02 2.07 2f33A9 GLN 37 HG2 -0.02 -0.05 -0.11 -0.04 2.40 2.18 2f33A9 GLN 37 HG3 -0.01 -0.02 0.11 -0.04 2.39 2.42 2f33A9 GLN 37 HE21 -0.01 -0.07 0.03 -0.04 6.97 6.88 2f33A9 GLN 37 HE22 -0.01 -0.03 0.06 -0.04 7.69 7.67 2f33A9 ASN 38 H -0.08 0.80 -0.26 -0.55 8.53 8.44 2f33A9 ASN 38 HA -0.05 0.07 0.50 -0.75 4.76 4.53 2f33A9 ASN 38 HB2 -0.05 0.00 -0.15 -0.04 2.88 2.64 2f33A9 ASN 38 HB3 -0.05 0.12 0.02 -0.04 2.79 2.84 2f33A9 ASN 38 HD21 -0.03 0.00 -0.01 -0.04 7.03 6.95 2f33A9 ASN 38 HD22 -0.03 -0.01 0.01 -0.04 7.74 7.67 2f33A9 LEU 39 H -0.28 0.17 -0.45 -0.55 8.37 7.27 2f33A9 LEU 39 HA -0.57 0.03 0.54 -0.75 4.35 3.60 2f33A9 LEU 39 HB2 -4.69 -0.06 0.09 -0.04 1.64 -3.06 2f33A9 LEU 39 HB3 -1.05 0.24 0.29 -0.04 1.64 1.07 2f33A9 LEU 39 HG -0.33 0.01 0.25 -0.04 1.64 1.52 2f33A9 LEU 39 HD13 -0.41 -0.04 -0.25 -0.04 0.93 0.19 2f33A9 LEU 39 HD23 -0.23 -0.01 0.04 -0.04 0.89 0.65 2f33A9 ILE 40 H -0.24 0.76 0.03 -0.55 8.25 8.26 2f33A9 ILE 40 HA -0.04 -0.07 0.31 -0.75 4.18 3.63 2f33A9 ILE 40 HB -0.02 0.26 0.11 -0.04 1.89 2.21 2f33A9 ILE 40 HG12 0.22 -0.07 -0.24 -0.04 1.49 1.36 2f33A9 ILE 40 HG13 0.15 -0.10 -0.06 -0.04 1.21 1.16 2f33A9 ILE 40 HG23 0.03 0.01 -0.06 -0.04 0.93 0.86 2f33A9 ILE 40 HD13 0.23 0.05 -0.19 -0.04 0.88 0.92 2f33A9 GLN 41 H -0.08 0.13 -1.21 -0.55 8.47 6.77 2f33A9 GLN 41 HA -0.01 0.05 0.42 -0.75 4.36 4.07 2f33A9 GLN 41 HB2 -0.03 0.22 0.16 -0.04 2.15 2.46 2f33A9 GLN 41 HB3 -0.03 0.22 0.13 -0.04 2.02 2.30 2f33A9 GLN 41 HG2 -0.01 -0.03 -0.16 -0.04 2.40 2.15 2f33A9 GLN 41 HG3 -0.01 -0.03 0.04 -0.04 2.39 2.35 2f33A9 GLN 41 HE21 -0.01 0.00 -0.01 -0.04 6.97 6.92 2f33A9 GLN 41 HE22 -0.01 -0.03 -0.02 -0.04 7.69 7.59 2f33A9 GLU 42 H -0.02 0.54 -0.13 -0.55 8.60 8.44 2f33A9 GLU 42 HA 0.03 0.07 0.59 -0.75 4.29 4.23 2f33A9 GLU 42 HB2 0.19 0.08 0.14 -0.04 2.09 2.46 2f33A9 GLU 42 HB3 0.06 -0.15 0.09 -0.04 1.99 1.96 2f33A9 GLU 42 HG2 -0.00 0.04 0.05 -0.04 2.34 2.39 2f33A9 GLU 42 HG3 0.03 0.02 0.07 -0.04 2.34 2.41 2f33A9 LEU 43 H 0.02 0.57 -0.09 -0.55 8.37 8.32 2f33A9 LEU 43 HA 0.10 0.08 0.49 -0.75 4.35 4.26 2f33A9 LEU 43 HB2 0.08 0.03 -0.07 -0.04 1.64 1.64 2f33A9 LEU 43 HB3 0.01 -0.02 0.08 -0.04 1.64 1.68 2f33A9 LEU 43 HG 0.04 -0.01 -0.14 -0.04 1.64 1.49 2f33A9 LEU 43 HD13 0.04 0.01 -0.10 -0.04 0.93 0.83 2f33A9 LEU 43 HD23 0.02 0.00 -0.13 -0.04 0.89 0.74 2f33A9 LEU 44 H 0.03 0.56 -0.00 -0.55 8.37 8.40 2f33A9 LEU 44 HA 0.03 -0.03 0.30 -0.75 4.35 3.90 2f33A9 LEU 44 HB2 0.03 0.40 0.24 -0.04 1.64 2.26 2f33A9 LEU 44 HB3 0.02 0.05 -0.01 -0.04 1.64 1.67 2f33A9 LEU 44 HG 0.04 -0.08 0.00 -0.04 1.64 1.56 2f33A9 LEU 44 HD13 0.03 0.01 -0.02 -0.04 0.93 0.90 2f33A9 LEU 44 HD23 0.02 -0.02 0.05 -0.04 0.89 0.91 2f33A9 GLN 45 H 0.03 0.06 -1.21 -0.55 8.47 6.80 2f33A9 GLN 45 HA 0.02 0.09 0.56 -0.75 4.36 4.28 2f33A9 GLN 45 HB2 0.03 0.09 0.15 -0.04 2.15 2.37 2f33A9 GLN 45 HB3 0.03 -0.06 -0.07 -0.04 2.02 1.88 2f33A9 GLN 45 HG2 0.02 -0.08 0.04 -0.04 2.40 2.34 2f33A9 GLN 45 HG3 0.01 0.25 0.07 -0.04 2.39 2.69 2f33A9 GLN 45 HE21 0.01 0.00 -0.01 -0.04 6.97 6.93 2f33A9 GLN 45 HE22 0.01 -0.03 -0.02 -0.04 7.69 7.61 2f33A9 ALA 46 H 0.05 0.35 -0.22 -0.55 8.40 8.03 2f33A9 ALA 46 HA 0.04 -0.03 0.41 -0.75 4.34 4.01 2f33A9 ALA 46 HB3 0.06 0.04 0.02 -0.04 1.41 1.49 2f33A9 ARG 47 H 0.03 0.25 -0.58 -0.55 8.46 7.61 2f33A9 ARG 47 HA 0.02 0.07 0.54 -0.75 4.34 4.22 2f33A9 ARG 47 HB2 0.03 -0.06 -0.01 -0.04 1.90 1.82 2f33A9 ARG 47 HB3 0.02 -0.03 -0.10 -0.04 1.80 1.65 2f33A9 ARG 47 HG2 0.02 -0.41 -0.23 -0.04 1.67 1.01 2f33A9 ARG 47 HG3 0.02 0.37 -0.76 -0.04 1.67 1.26 2f33A9 ARG 47 HD2 0.02 0.04 -0.18 -0.04 3.22 3.06 2f33A9 ARG 47 HD3 0.02 -0.06 -0.12 -0.04 3.22 3.02 2f33A9 LYS 48 H 0.02 0.25 -0.12 -0.55 8.42 8.02 2f33A9 LYS 48 HA 0.01 0.04 0.35 -0.75 4.32 3.97 2f33A9 LYS 48 HB2 0.02 0.12 0.25 -0.04 1.87 2.21 2f33A9 LYS 48 HB3 0.01 -0.01 -0.03 -0.04 1.79 1.72 2f33A9 LYS 48 HG2 0.01 -0.03 0.03 -0.04 1.46 1.44 2f33A9 LYS 48 HG3 0.01 -0.03 0.04 -0.04 1.46 1.45 2f33A9 LYS 48 HD2 0.01 0.05 0.01 -0.04 1.69 1.72 2f33A9 LYS 48 HD3 0.01 -0.02 0.00 -0.04 1.68 1.63 2f33A9 LYS 48 HE2 0.01 -0.02 -0.00 -0.04 2.99 2.94 2f33A9 LYS 48 HE3 0.01 -0.03 0.01 -0.04 2.99 2.94 2f33A9 LYS 49 H 0.02 0.90 -0.10 -0.55 8.42 8.69 2f33A9 LYS 49 HA 0.01 0.08 0.57 -0.75 4.32 4.24 2f33A9 LYS 49 HB2 0.03 0.13 0.08 -0.04 1.87 2.07 2f33A9 LYS 49 HB3 0.02 -0.05 -0.06 -0.04 1.79 1.66 2f33A9 LYS 49 HG2 0.02 -0.04 -0.00 -0.04 1.46 1.39 2f33A9 LYS 49 HG3 0.02 -0.03 -0.03 -0.04 1.46 1.37 2f33A9 LYS 49 HD2 0.02 -0.03 -0.02 -0.04 1.69 1.63 2f33A9 LYS 49 HD3 0.03 0.03 -0.21 -0.04 1.68 1.49 2f33A9 LYS 49 HE2 0.03 -0.04 -0.05 -0.04 2.99 2.89 2f33A9 LYS 49 HE3 0.03 -0.01 -0.06 -0.04 2.99 2.91 2f33A9 ALA 50 H 0.02 0.32 -0.17 -0.55 8.40 8.03 2f33A9 ALA 50 HA 0.01 0.04 0.49 -0.75 4.34 4.13 2f33A9 ALA 50 HB3 0.02 0.03 0.23 -0.04 1.41 1.65 2f33A9 GLY 51 H 0.01 0.02 -1.29 -0.55 8.43 6.63 2f33A9 GLY 51 HA2 0.01 0.02 0.17 -0.51 4.01 3.70 2f33A9 GLY 51 HA3 0.01 0.02 0.46 -0.51 4.01 3.98 2f33A9 LEU 52 H 0.01 0.58 -0.03 -0.55 8.37 8.39 2f33A9 LEU 52 HA 0.01 0.10 1.02 -0.75 4.35 4.72 2f33A9 LEU 52 HB2 0.01 -0.07 0.08 -0.04 1.64 1.62 2f33A9 LEU 52 HB3 0.01 -0.01 0.01 -0.04 1.64 1.60 2f33A9 LEU 52 HG 0.01 -0.01 -0.01 -0.04 1.64 1.58 2f33A9 LEU 52 HD13 0.00 0.02 -0.09 -0.04 0.93 0.82 2f33A9 LEU 52 HD23 0.01 0.06 -0.19 -0.04 0.89 0.73 2f33A9 GLU 53 H 0.01 0.11 0.08 -0.55 8.60 8.25 2f33A9 GLU 53 HA 0.01 0.05 0.29 -0.75 4.29 3.88 2f33A9 GLU 53 HB2 0.01 -0.02 0.05 -0.04 2.09 2.09 2f33A9 GLU 53 HB3 0.01 0.04 -0.02 -0.04 1.99 1.98 2f33A9 GLU 53 HG2 0.01 -0.01 0.02 -0.04 2.34 2.32 2f33A9 GLU 53 HG3 0.01 0.04 -0.01 -0.04 2.34 2.34 2f33A9 LEU 54 H 0.02 0.09 0.12 -0.55 8.37 8.06 2f33A9 LEU 54 HA 0.02 0.17 0.68 -0.75 4.35 4.47 2f33A9 LEU 54 HB2 0.03 0.09 0.09 -0.04 1.64 1.80 2f33A9 LEU 54 HB3 0.03 -0.02 0.09 -0.04 1.64 1.70 2f33A9 LEU 54 HG 0.04 -0.17 -0.06 -0.04 1.64 1.42 2f33A9 LEU 54 HD13 0.03 0.01 -0.11 -0.04 0.93 0.81 2f33A9 LEU 54 HD23 0.05 0.01 -0.40 -0.04 0.89 0.51 2f33A9 SER 55 H 0.02 0.19 0.20 -0.55 8.46 8.32 2f33A9 SER 55 HA 0.02 0.22 0.44 -0.75 4.49 4.42 2f33A9 SER 55 HB2 0.01 0.14 0.22 -0.04 3.95 4.28 2f33A9 SER 55 HB3 0.02 -0.21 0.11 -0.04 3.93 3.81 2f33A9 PRO 56 HA 0.03 0.12 0.35 -0.51 4.44 4.43 2f33A9 PRO 56 HB2 0.02 0.02 0.01 -0.04 2.28 2.29 2f33A9 PRO 56 HB3 0.02 0.07 0.09 -0.04 2.02 2.16 2f33A9 PRO 56 HG2 0.01 0.07 0.09 -0.04 2.03 2.16 2f33A9 PRO 56 HG3 0.01 0.09 0.11 -0.04 2.03 2.21 2f33A9 PRO 56 HD2 0.01 0.10 0.23 -0.04 3.68 3.98 2f33A9 PRO 56 HD3 0.01 0.24 0.23 -0.04 3.65 4.10 2f33A9 GLU 57 H 0.04 0.12 -0.47 -0.55 8.60 7.74 2f33A9 GLU 57 HA 0.11 0.12 0.52 -0.75 4.29 4.29 2f33A9 GLU 57 HB2 0.04 0.00 0.07 -0.04 2.09 2.16 2f33A9 GLU 57 HB3 0.11 0.11 -0.02 -0.04 1.99 2.15 2f33A9 GLU 57 HG2 0.06 0.01 0.00 -0.04 2.34 2.37 2f33A9 GLU 57 HG3 0.03 -0.06 -0.04 -0.04 2.34 2.23 2f33A9 MET 58 H 0.06 0.21 -0.11 -0.55 8.47 8.08 2f33A9 MET 58 HA 0.14 0.13 0.61 -0.75 4.52 4.64 2f33A9 MET 58 HB2 0.04 -0.11 0.20 -0.04 2.15 2.24 2f33A9 MET 58 HB3 0.04 -0.02 -0.02 -0.04 2.03 1.99 2f33A9 MET 58 HG2 -0.03 -0.01 -0.12 -0.04 2.63 2.44 2f33A9 MET 58 HG3 0.01 0.04 0.12 -0.04 2.56 2.69 2f33A9 MET 58 HE3 -0.00 0.01 -0.03 -0.04 2.10 2.04 2f33A9 LYS 59 H 0.06 0.99 -0.04 -0.55 8.42 8.88 2f33A9 LYS 59 HA 0.06 0.06 0.35 -0.75 4.32 4.03 2f33A9 LYS 59 HB2 0.03 0.01 -0.00 -0.04 1.87 1.87 2f33A9 LYS 59 HB3 0.04 -0.01 -0.05 -0.04 1.79 1.72 2f33A9 LYS 59 HG2 0.05 -0.05 -0.05 -0.04 1.46 1.36 2f33A9 LYS 59 HG3 0.03 0.01 -0.14 -0.04 1.46 1.32 2f33A9 LYS 59 HD2 0.02 0.03 -0.11 -0.04 1.69 1.59 2f33A9 LYS 59 HD3 0.03 -0.11 -0.69 -0.04 1.68 0.87 2f33A9 LYS 59 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.94 2f33A9 LYS 59 HE3 0.02 -0.03 -0.02 -0.04 2.99 2.92 2f33A9 THR 60 H 0.09 0.25 -0.70 -0.55 8.28 7.38 2f33A9 THR 60 HA 0.04 0.10 0.70 -0.75 4.39 4.48 2f33A9 THR 60 HB 0.09 0.05 0.29 -0.04 4.32 4.70 2f33A9 THR 60 HG23 0.02 -0.04 -0.04 -0.04 1.22 1.11 2f33A9 PHE 61 H 0.25 0.44 -0.38 -0.55 8.34 8.10 2f33A9 PHE 61 HA 0.27 -0.04 0.41 -0.75 4.62 4.51 2f33A9 PHE 61 HB2 0.12 0.46 0.36 -0.04 3.15 4.05 2f33A9 PHE 61 HB3 0.09 -0.01 0.15 -0.04 3.06 3.25 2f33A9 PHE 61 HD2 0.13 0.02 -0.06 -0.04 7.28 7.32 2f33A9 PHE 61 HE2 -0.16 0.01 -0.05 -0.04 7.38 7.14 2f33A9 PHE 61 HZ -0.57 -0.09 -0.20 -0.04 7.32 6.41 2f33A9 VAL 62 H 0.19 0.65 -0.50 -0.55 8.24 8.03 2f33A9 VAL 62 HA 0.14 0.02 0.52 -0.75 4.13 4.06 2f33A9 VAL 62 HB 0.06 -0.01 0.02 -0.04 2.12 2.15 2f33A9 VAL 62 HG13 0.10 0.05 0.02 -0.04 0.97 1.09 2f33A9 VAL 62 HG23 0.06 -0.02 0.02 -0.04 0.95 0.97 2f33A9 ASP 63 H 0.06 0.16 -0.39 -0.55 8.40 7.68 2f33A9 ASP 63 HA 0.00 0.05 0.51 -0.75 4.63 4.44 2f33A9 ASP 63 HB2 0.02 0.13 0.20 -0.04 2.71 3.02 2f33A9 ASP 63 HB3 0.01 -0.06 0.24 -0.04 2.70 2.84 2f33A9 GLN 64 H -0.03 1.69 0.12 -0.55 8.47 9.71 2f33A9 GLN 64 HA -0.15 0.07 0.53 -0.75 4.36 4.06 2f33A9 GLN 64 HB2 -0.16 0.11 -0.02 -0.04 2.15 2.05 2f33A9 GLN 64 HB3 -0.54 -0.04 -0.11 -0.04 2.02 1.29 2f33A9 GLN 64 HG2 -0.08 -0.01 -0.05 -0.04 2.40 2.22 2f33A9 GLN 64 HG3 -0.13 -0.04 -0.06 -0.04 2.39 2.12 2f33A9 GLN 64 HE21 -0.33 -0.01 -0.06 -0.04 6.97 6.52 2f33A9 GLN 64 HE22 -0.17 -0.01 -0.01 -0.04 7.69 7.45 2f33A9 TYR 65 H -0.11 0.58 -0.02 -0.55 8.29 8.19 2f33A9 TYR 65 HA -0.18 0.03 0.59 -0.75 4.56 4.25 2f33A9 TYR 65 HB2 -0.46 0.72 0.27 -0.04 3.06 3.56 2f33A9 TYR 65 HB3 -0.18 -0.10 0.03 -0.04 2.98 2.69 2f33A9 TYR 65 HD2 -1.14 -0.01 0.06 -0.04 7.15 6.03 2f33A9 TYR 65 HE2 -0.30 0.01 -0.06 -0.04 6.85 6.47 2f33A9 GLY 66 H 0.00 0.26 -0.58 -0.55 8.43 7.57 2f33A9 GLY 66 HA2 0.02 -0.06 0.36 -0.51 4.01 3.83 2f33A9 GLY 66 HA3 0.01 0.29 0.38 -0.51 4.01 4.18 2f33A9 GLN 67 H -0.03 -0.03 -1.39 -0.55 8.47 6.48 2f33A9 GLN 67 HA -0.01 0.17 0.82 -0.75 4.36 4.59 2f33A9 GLN 67 HB2 -0.04 0.09 -0.16 -0.04 2.15 1.99 2f33A9 GLN 67 HB3 -0.04 -0.00 -0.04 -0.04 2.02 1.89 2f33A9 GLN 67 HG2 -0.02 -0.06 0.07 -0.04 2.40 2.35 2f33A9 GLN 67 HG3 -0.02 0.02 0.12 -0.04 2.39 2.47 2f33A9 GLN 67 HE21 -0.02 0.06 -0.23 -0.04 6.97 6.74 2f33A9 GLN 67 HE22 -0.02 -0.02 -0.05 -0.04 7.69 7.57 2f33A9 ARG 68 H 0.02 0.59 -0.13 -0.55 8.46 8.39 2f33A9 ARG 68 HA 0.01 0.06 0.40 -0.75 4.34 4.06 2f33A9 ARG 68 HB2 0.20 0.00 0.22 -0.04 1.90 2.28 2f33A9 ARG 68 HB3 0.19 0.04 0.16 -0.04 1.80 2.14 2f33A9 ARG 68 HG2 0.42 0.01 -0.08 -0.04 1.67 1.98 2f33A9 ARG 68 HG3 0.10 -0.12 0.00 -0.04 1.67 1.61 2f33A9 ARG 68 HD2 -0.09 0.01 -0.06 -0.04 3.22 3.05 2f33A9 ARG 68 HD3 -0.35 0.08 -0.03 -0.04 3.22 2.88 2f33A9 ASP 69 H 0.00 0.77 -0.32 -0.55 8.40 8.30 2f33A9 ASP 69 HA 0.00 0.04 0.23 -0.75 4.63 4.15 2f33A9 ASP 69 HB2 -0.01 -0.08 0.06 -0.04 2.71 2.64 2f33A9 ASP 69 HB3 -0.01 0.04 -0.03 -0.04 2.70 2.66 2f33A9 ASP 70 H 0.00 0.20 0.02 -0.55 8.40 8.07 2f33A9 ASP 70 HA 0.00 0.14 0.65 -0.75 4.63 4.68 2f33A9 ASP 70 HB2 -0.00 -0.02 0.12 -0.04 2.71 2.77 2f33A9 ASP 70 HB3 -0.00 0.03 0.11 -0.04 2.70 2.80 2f33A9 GLY 71 H 0.03 0.17 -1.18 -0.55 8.43 6.90 2f33A9 GLY 71 HA2 0.04 0.19 0.90 -0.51 4.01 4.63 2f33A9 GLY 71 HA3 0.07 -0.01 0.19 -0.51 4.01 3.75 2f33A9 LYS 72 H 0.10 0.19 0.16 -0.55 8.42 8.31 2f33A9 LYS 72 HA 0.09 0.34 0.87 -0.75 4.32 4.86 2f33A9 LYS 72 HB2 0.01 0.01 -0.16 -0.04 1.87 1.69 2f33A9 LYS 72 HB3 0.02 -0.03 -0.04 -0.04 1.79 1.70 2f33A9 LYS 72 HG2 0.00 -0.02 -0.26 -0.04 1.46 1.14 2f33A9 LYS 72 HG3 0.07 0.01 -0.22 -0.04 1.46 1.27 2f33A9 LYS 72 HD2 -0.06 -0.01 -0.10 -0.04 1.69 1.47 2f33A9 LYS 72 HD3 -0.17 -0.01 -0.11 -0.04 1.68 1.35 2f33A9 LYS 72 HE2 -0.08 -0.01 -0.20 -0.04 2.99 2.65 2f33A9 LYS 72 HE3 -0.13 0.03 -0.07 -0.04 2.99 2.77 2f33A9 ILE 73 H 0.23 0.29 0.03 -0.55 8.25 8.25 2f33A9 ILE 73 HA 0.35 0.11 0.97 -0.75 4.18 4.85 2f33A9 ILE 73 HB 0.24 -0.07 0.05 -0.04 1.89 2.07 2f33A9 ILE 73 HG12 0.07 0.15 0.10 -0.04 1.49 1.77 2f33A9 ILE 73 HG13 0.33 -0.24 0.23 -0.04 1.21 1.48 2f33A9 ILE 73 HG23 -0.08 0.03 -0.33 -0.04 0.93 0.50 2f33A9 ILE 73 HD13 0.41 -0.02 -0.04 -0.04 0.88 1.19 2f33A9 GLY 74 H 0.38 0.07 0.14 -0.55 8.43 8.47 2f33A9 GLY 74 HA2 -0.79 0.27 0.70 -0.51 4.01 3.69 2f33A9 GLY 74 HA3 -0.11 0.26 0.53 -0.51 4.01 4.17 2f33A9 ILE 75 H -0.19 0.70 0.18 -0.55 8.25 8.39 2f33A9 ILE 75 HA -0.67 0.10 0.40 -0.75 4.18 3.26 2f33A9 ILE 75 HB 0.01 0.01 -0.15 -0.04 1.89 1.72 2f33A9 ILE 75 HG12 -0.17 0.03 -0.04 -0.04 1.49 1.26 2f33A9 ILE 75 HG13 -0.44 0.00 -0.03 -0.04 1.21 0.70 2f33A9 ILE 75 HG23 0.42 -0.02 -0.23 -0.04 0.93 1.05 2f33A9 ILE 75 HD13 -0.23 0.02 -0.03 -0.04 0.88 0.61 2f33A9 VAL 76 H 0.06 0.24 0.11 -0.55 8.24 8.10 2f33A9 VAL 76 HA -0.17 0.00 0.31 -0.75 4.13 3.51 2f33A9 VAL 76 HB 0.20 0.30 0.19 -0.04 2.12 2.77 2f33A9 VAL 76 HG13 0.09 -0.00 -0.16 -0.04 0.97 0.86 2f33A9 VAL 76 HG23 0.16 -0.02 -0.04 -0.04 0.95 1.01 2f33A9 GLU 77 H -0.01 0.09 -0.52 -0.55 8.60 7.61 2f33A9 GLU 77 HA -0.04 0.09 0.35 -0.75 4.29 3.93 2f33A9 GLU 77 HB2 0.20 0.08 0.03 -0.04 2.09 2.35 2f33A9 GLU 77 HB3 0.26 0.06 -0.04 -0.04 1.99 2.23 2f33A9 GLU 77 HG2 0.30 0.08 0.04 -0.04 2.34 2.72 2f33A9 GLU 77 HG3 0.24 0.02 -0.01 -0.04 2.34 2.55 2f33A9 LEU 78 H -0.05 0.35 -0.15 -0.55 8.37 7.98 2f33A9 LEU 78 HA -0.49 0.08 0.60 -0.75 4.35 3.79 2f33A9 LEU 78 HB2 0.58 0.02 0.05 -0.04 1.64 2.24 2f33A9 LEU 78 HB3 0.44 0.07 -0.04 -0.04 1.64 2.06 2f33A9 LEU 78 HG -0.08 -0.04 0.06 -0.04 1.64 1.53 2f33A9 LEU 78 HD13 0.63 -0.01 -0.02 -0.04 0.93 1.49 2f33A9 LEU 78 HD23 0.47 0.01 -0.10 -0.04 0.89 1.22 2f33A9 ALA 79 H -0.74 0.88 -0.10 -0.55 8.40 7.89 2f33A9 ALA 79 HA -3.41 -0.03 0.29 -0.75 4.34 0.43 2f33A9 ALA 79 HB3 -1.00 -0.01 -0.14 -0.04 1.41 0.23 2f33A9 HIS 80 H -0.85 0.48 -0.20 -0.55 8.41 7.29 2f33A9 HIS 80 HA -0.27 0.04 0.59 -0.75 4.63 4.24 2f33A9 HIS 80 HB2 -0.10 -0.04 0.03 -0.04 3.26 3.11 2f33A9 HIS 80 HB3 -0.17 -0.09 -0.02 -0.04 3.20 2.88 2f33A9 HIS 80 HD2 -0.02 -0.01 -0.38 -0.04 6.97 6.52 2f33A9 HIS 80 HE1 0.07 -0.12 -0.16 -0.04 7.75 7.50 2f33A9 VAL 81 H -0.43 0.14 -0.50 -0.55 8.24 6.91 2f33A9 VAL 81 HA -0.03 -0.02 0.33 -0.75 4.13 3.66 2f33A9 VAL 81 HB -1.21 0.17 0.15 -0.04 2.12 1.20 2f33A9 VAL 81 HG13 -0.47 0.13 0.07 -0.04 0.97 0.67 2f33A9 VAL 81 HG23 -0.57 -0.02 -0.08 -0.04 0.95 0.23 2f33A9 LEU 82 H -0.25 0.32 -0.18 -0.55 8.37 7.70 2f33A9 LEU 82 HA -0.06 0.15 0.68 -0.75 4.35 4.37 2f33A9 LEU 82 HB2 -0.03 0.09 -0.01 -0.04 1.64 1.65 2f33A9 LEU 82 HB3 -0.01 -0.05 0.03 -0.04 1.64 1.58 2f33A9 LEU 82 HG -0.12 0.14 0.09 -0.04 1.64 1.71 2f33A9 LEU 82 HD13 -0.25 -0.00 -0.04 -0.04 0.93 0.59 2f33A9 LEU 82 HD23 0.18 -0.04 -0.05 -0.04 0.89 0.94 2f33A9 PRO 83 HA -0.06 0.01 0.42 -0.51 4.44 4.31 2f33A9 PRO 83 HB2 -0.03 0.12 0.22 -0.04 2.28 2.55 2f33A9 PRO 83 HB3 -0.03 -0.06 0.12 -0.04 2.02 2.01 2f33A9 PRO 83 HG2 -0.01 0.16 0.11 -0.04 2.03 2.25 2f33A9 PRO 83 HG3 -0.02 -0.04 0.10 -0.04 2.03 2.03 2f33A9 PRO 83 HD2 -0.02 0.27 0.14 -0.04 3.68 4.03 2f33A9 PRO 83 HD3 -0.02 0.07 0.28 -0.04 3.65 3.93 2f33A9 THR 84 H -0.15 0.82 -0.18 -0.55 8.28 8.22 2f33A9 THR 84 HA -0.12 -0.12 0.64 -0.75 4.39 4.04 2f33A9 THR 84 HB -0.29 0.29 0.11 -0.04 4.32 4.39 2f33A9 THR 84 HG23 -0.46 -0.12 -0.22 -0.04 1.22 0.38 2f33A9 GLU 85 H -0.16 0.21 -0.10 -0.55 8.60 8.01 2f33A9 GLU 85 HA -0.08 0.11 0.39 -0.75 4.29 3.95 2f33A9 GLU 85 HB2 -0.55 0.04 -0.18 -0.04 2.09 1.36 2f33A9 GLU 85 HB3 0.06 -0.34 0.15 -0.04 1.99 1.82 2f33A9 GLU 85 HG2 -0.25 0.41 0.19 -0.04 2.34 2.65 2f33A9 GLU 85 HG3 -0.72 0.04 -0.41 -0.04 2.34 1.22 2f33A9 GLU 86 H -0.03 0.30 0.02 -0.55 8.60 8.34 2f33A9 GLU 86 HA -0.01 0.14 0.34 -0.75 4.29 4.01 2f33A9 GLU 86 HB2 -0.02 0.09 0.11 -0.04 2.09 2.23 2f33A9 GLU 86 HB3 -0.01 -0.02 0.04 -0.04 1.99 1.96 2f33A9 GLU 86 HG2 -0.01 -0.01 0.07 -0.04 2.34 2.34 2f33A9 GLU 86 HG3 -0.02 0.07 0.03 -0.04 2.34 2.38 2f33A9 ASN 87 H 0.04 0.01 -0.47 -0.55 8.53 7.55 2f33A9 ASN 87 HA 0.04 0.25 0.69 -0.75 4.76 4.98 2f33A9 ASN 87 HB2 0.06 -0.07 0.03 -0.04 2.88 2.86 2f33A9 ASN 87 HB3 0.05 0.02 -0.03 -0.04 2.79 2.78 2f33A9 ASN 87 HD21 0.02 0.02 -0.01 -0.04 7.03 7.02 2f33A9 ASN 87 HD22 0.01 0.07 -0.05 -0.04 7.74 7.73 2f33A9 PHE 88 H 0.19 0.04 -0.08 -0.55 8.34 7.93 2f33A9 PHE 88 HA 0.05 0.01 0.42 -0.75 4.62 4.35 2f33A9 PHE 88 HB2 0.02 -0.12 0.15 -0.04 3.15 3.15 2f33A9 PHE 88 HB3 -0.06 -0.02 0.13 -0.04 3.06 3.07 2f33A9 PHE 88 HD2 -0.12 0.41 0.01 -0.04 7.28 7.54 2f33A9 PHE 88 HE2 -0.56 -0.02 -0.12 -0.04 7.38 6.63 2f33A9 PHE 88 HZ -0.46 -0.03 -0.08 -0.04 7.32 6.71 2f33A9 LEU 89 H 0.18 0.75 -0.26 -0.55 8.37 8.50 2f33A9 LEU 89 HA -0.39 0.03 0.42 -0.75 4.35 3.65 2f33A9 LEU 89 HB2 -0.00 0.11 -0.08 -0.04 1.64 1.62 2f33A9 LEU 89 HB3 -0.07 -0.01 -0.07 -0.04 1.64 1.46 2f33A9 LEU 89 HG 0.26 -0.06 -0.16 -0.04 1.64 1.64 2f33A9 LEU 89 HD13 -0.10 0.02 -0.49 -0.04 0.93 0.32 2f33A9 LEU 89 HD23 -0.60 -0.03 -0.33 -0.04 0.89 -0.11 2f33A9 LEU 90 H 0.02 0.24 -0.51 -0.55 8.37 7.57 2f33A9 LEU 90 HA 0.02 0.09 0.33 -0.75 4.35 4.03 2f33A9 LEU 90 HB2 0.02 0.09 0.22 -0.04 1.64 1.93 2f33A9 LEU 90 HB3 0.03 -0.07 0.11 -0.04 1.64 1.67 2f33A9 LEU 90 HG 0.01 0.00 0.06 -0.04 1.64 1.68 2f33A9 LEU 90 HD13 0.02 0.00 0.04 -0.04 0.93 0.95 2f33A9 LEU 90 HD23 0.02 0.03 -0.13 -0.04 0.89 0.77 2f33A9 LEU 91 H 0.02 0.21 -0.18 -0.55 8.37 7.87 2f33A9 LEU 91 HA 0.04 0.19 0.54 -0.75 4.35 4.37 2f33A9 LEU 91 HB2 0.05 0.08 -0.09 -0.04 1.64 1.64 2f33A9 LEU 91 HB3 0.05 -0.07 0.04 -0.04 1.64 1.61 2f33A9 LEU 91 HG 0.06 0.11 0.01 -0.04 1.64 1.77 2f33A9 LEU 91 HD13 0.18 0.01 -0.28 -0.04 0.93 0.80 2f33A9 LEU 91 HD23 0.07 -0.03 -0.04 -0.04 0.89 0.85 2f33A9 PHE 92 H 0.01 0.11 -0.52 -0.55 8.34 7.39 2f33A9 PHE 92 HA 0.08 0.02 0.39 -0.75 4.62 4.35 2f33A9 PHE 92 HB2 -1.37 0.25 0.14 -0.04 3.15 2.12 2f33A9 PHE 92 HB3 -0.46 0.00 0.28 -0.04 3.06 2.84 2f33A9 PHE 92 HD2 -1.67 0.06 -0.24 -0.04 7.28 5.39 2f33A9 PHE 92 HE2 -0.17 -0.05 -0.06 -0.04 7.38 7.07 2f33A9 PHE 92 HZ -0.04 -0.02 -0.09 -0.04 7.32 7.12 2f33A9 ARG 93 H 0.12 0.86 -0.21 -0.55 8.46 8.69 2f33A9 ARG 93 HA 0.05 0.10 0.45 -0.75 4.34 4.19 2f33A9 ARG 93 HB2 0.06 -0.08 0.05 -0.04 1.90 1.90 2f33A9 ARG 93 HB3 0.17 -0.04 0.04 -0.04 1.80 1.93 2f33A9 ARG 93 HG2 0.06 0.27 0.04 -0.04 1.67 2.00 2f33A9 ARG 93 HG3 0.04 -0.03 -0.06 -0.04 1.67 1.58 2f33A9 ARG 93 HD2 0.16 -0.12 -0.07 -0.04 3.22 3.15 2f33A9 ARG 93 HD3 0.05 -0.06 -0.51 -0.04 3.22 2.66 2f33A9 CYS 94 H -0.05 0.43 -1.32 -0.55 8.50 7.01 2f33A9 CYS 94 HA 0.00 0.04 0.35 -0.75 4.58 4.22 2f33A9 CYS 94 HB2 0.07 -0.08 0.04 -0.04 2.97 2.96 2f33A9 CYS 94 HB3 0.04 0.19 0.21 -0.04 2.97 3.37 2f33A9 GLN 95 H -0.36 0.30 -0.30 -0.55 8.47 7.57 2f33A9 GLN 95 HA -1.62 0.00 0.37 -0.75 4.36 2.36 2f33A9 GLN 95 HB2 -1.31 -0.06 0.02 -0.04 2.15 0.75 2f33A9 GLN 95 HB3 -1.99 -0.01 0.05 -0.04 2.02 0.02 2f33A9 GLN 95 HG2 -0.37 -0.16 -0.05 -0.04 2.40 1.78 2f33A9 GLN 95 HG3 -0.32 0.05 -0.25 -0.04 2.39 1.82 2f33A9 GLN 95 HE21 -0.36 -0.13 0.10 -0.04 6.97 6.54 2f33A9 GLN 95 HE22 -0.40 -0.12 0.07 -0.04 7.69 7.21 2f33A9 GLN 96 H -0.17 0.33 -0.45 -0.55 8.47 7.63 2f33A9 GLN 96 HA 0.04 -0.01 0.57 -0.75 4.36 4.21 2f33A9 GLN 96 HB2 0.01 -0.07 -0.02 -0.04 2.15 2.02 2f33A9 GLN 96 HB3 0.04 0.12 -0.03 -0.04 2.02 2.11 2f33A9 GLN 96 HG2 0.06 0.03 0.06 -0.04 2.40 2.52 2f33A9 GLN 96 HG3 0.08 -0.16 -0.01 -0.04 2.39 2.26 2f33A9 GLN 96 HE21 0.07 -0.01 -0.02 -0.04 6.97 6.97 2f33A9 GLN 96 HE22 0.09 0.01 -0.04 -0.04 7.69 7.71 2f33A9 LEU 97 H -0.02 0.24 -0.25 -0.55 8.37 7.79 2f33A9 LEU 97 HA 0.03 0.03 0.32 -0.75 4.35 3.97 2f33A9 LEU 97 HB2 0.03 -0.01 0.04 -0.04 1.64 1.66 2f33A9 LEU 97 HB3 0.02 -0.06 0.07 -0.04 1.64 1.63 2f33A9 LEU 97 HG 0.07 -0.12 0.20 -0.04 1.64 1.75 2f33A9 LEU 97 HD13 0.05 -0.02 -0.21 -0.04 0.93 0.72 2f33A9 LEU 97 HD23 0.07 -0.05 0.08 -0.04 0.89 0.94 2f33A9 LYS 98 H 0.08 0.09 -0.15 -0.55 8.42 7.89 2f33A9 LYS 98 HA 0.05 0.28 1.01 -0.75 4.32 4.91 2f33A9 LYS 98 HB2 0.06 -0.01 -0.02 -0.04 1.87 1.87 2f33A9 LYS 98 HB3 0.07 -0.07 -0.05 -0.04 1.79 1.70 2f33A9 LYS 98 HG2 0.04 0.10 0.01 -0.04 1.46 1.57 2f33A9 LYS 98 HG3 0.04 -0.02 -0.03 -0.04 1.46 1.42 2f33A9 LYS 98 HD2 0.04 -0.01 0.05 -0.04 1.69 1.74 2f33A9 LYS 98 HD3 0.03 0.02 0.04 -0.04 1.68 1.73 2f33A9 LYS 98 HE2 0.03 0.01 -0.03 -0.04 2.99 2.96 2f33A9 LYS 98 HE3 0.03 -0.07 -0.09 -0.04 2.99 2.83 2f33A9 SER 99 H 0.14 0.16 0.12 -0.55 8.46 8.34 2f33A9 SER 99 HA 0.11 0.19 0.67 -0.75 4.49 4.70 2f33A9 SER 99 HB2 0.09 -0.10 0.04 -0.04 3.95 3.94 2f33A9 SER 99 HB3 0.08 -0.21 0.11 -0.04 3.93 3.87 2f33A9 CYS 100 H 0.16 0.15 0.21 -0.55 8.50 8.47 2f33A9 CYS 100 HA 0.67 0.31 0.65 -0.75 4.58 5.46 2f33A9 CYS 100 HB2 0.28 -0.00 0.04 -0.04 2.97 3.25 2f33A9 CYS 100 HB3 0.20 0.03 0.19 -0.04 2.97 3.35 2f33A9 GLU 101 H 0.10 0.03 0.02 -0.55 8.60 8.21 2f33A9 GLU 101 HA -0.04 0.14 0.60 -0.75 4.29 4.24 2f33A9 GLU 101 HB2 -0.02 0.04 0.02 -0.04 2.09 2.08 2f33A9 GLU 101 HB3 -0.09 0.02 0.07 -0.04 1.99 1.94 2f33A9 GLU 101 HG2 0.05 -0.03 0.05 -0.04 2.34 2.37 2f33A9 GLU 101 HG3 0.07 -0.14 0.06 -0.04 2.34 2.29 2f33A9 GLU 102 H 0.04 -0.01 -0.21 -0.55 8.60 7.87 2f33A9 GLU 102 HA -0.05 0.19 0.56 -0.75 4.29 4.24 2f33A9 GLU 102 HB2 0.03 -0.02 0.04 -0.04 2.09 2.10 2f33A9 GLU 102 HB3 0.07 0.03 -0.00 -0.04 1.99 2.04 2f33A9 GLU 102 HG2 0.02 0.03 -0.08 -0.04 2.34 2.26 2f33A9 GLU 102 HG3 -0.01 0.03 0.03 -0.04 2.34 2.35 2f33A9 PHE 103 H 0.21 0.38 -0.06 -0.55 8.34 8.32 2f33A9 PHE 103 HA 0.06 0.06 0.34 -0.75 4.62 4.32 2f33A9 PHE 103 HB2 0.10 -0.03 -0.01 -0.04 3.15 3.16 2f33A9 PHE 103 HB3 0.06 0.30 0.29 -0.04 3.06 3.66 2f33A9 PHE 103 HD2 0.12 0.18 0.15 -0.04 7.28 7.69 2f33A9 PHE 103 HE2 0.03 -0.09 0.03 -0.04 7.38 7.31 2f33A9 PHE 103 HZ -0.08 -0.03 -0.14 -0.04 7.32 7.03 2f33A9 MET 104 H -0.70 0.16 -0.87 -0.55 8.47 6.51 2f33A9 MET 104 HA -0.47 -0.03 0.32 -0.75 4.52 3.57 2f33A9 MET 104 HB2 -0.42 0.23 -0.02 -0.04 2.15 1.91 2f33A9 MET 104 HB3 -0.23 0.05 -0.16 -0.04 2.03 1.65 2f33A9 MET 104 HG2 -0.66 -0.08 -0.02 -0.04 2.63 1.84 2f33A9 MET 104 HG3 -1.13 0.07 0.00 -0.04 2.56 1.46 2f33A9 MET 104 HE3 -0.06 -0.05 -0.29 -0.04 2.10 1.67 2f33A9 LYS 105 H -0.12 0.49 -0.25 -0.55 8.42 7.99 2f33A9 LYS 105 HA -0.11 0.78 0.51 -0.75 4.32 4.74 2f33A9 LYS 105 HB2 -0.05 0.25 0.24 -0.04 1.87 2.27 2f33A9 LYS 105 HB3 -0.06 -0.08 -0.02 -0.04 1.79 1.59 2f33A9 LYS 105 HG2 -0.05 -0.08 0.09 -0.04 1.46 1.39 2f33A9 LYS 105 HG3 -0.07 0.31 0.35 -0.04 1.46 2.01 2f33A9 LYS 105 HD2 -0.06 -0.04 0.10 -0.04 1.69 1.65 2f33A9 LYS 105 HD3 -0.05 0.01 0.16 -0.04 1.68 1.75 2f33A9 LYS 105 HE2 -0.03 -0.05 0.01 -0.04 2.99 2.89 2f33A9 LYS 105 HE3 -0.03 0.01 0.01 -0.04 2.99 2.94 2f33A9 THR 106 H 0.00 0.32 -0.64 -0.55 8.28 7.41 2f33A9 THR 106 HA -0.13 0.07 0.54 -0.75 4.39 4.11 2f33A9 THR 106 HB 0.19 0.38 0.23 -0.04 4.32 5.09 2f33A9 THR 106 HG23 0.17 -0.03 -0.18 -0.04 1.22 1.13 2f33A9 TRP 107 H 0.21 0.45 0.05 -0.55 7.97 8.13 2f33A9 TRP 107 HA -0.31 -0.01 0.35 -0.75 4.62 3.89 2f33A9 TRP 107 HB2 0.47 -0.07 0.04 -0.04 3.23 3.63 2f33A9 TRP 107 HB3 0.06 0.06 0.14 -0.04 3.23 3.45 2f33A9 TRP 107 HD1 -0.20 0.31 0.00 -0.04 7.22 7.29 2f33A9 TRP 107 HE1 -0.15 0.03 -0.12 -0.04 10.20 9.91 2f33A9 TRP 107 HE3 0.54 -0.01 -0.06 -0.04 7.59 8.02 2f33A9 TRP 107 HZ2 -0.11 0.74 -0.20 -0.04 7.44 7.83 2f33A9 TRP 107 HZ3 0.23 -0.01 -0.26 -0.04 7.13 7.05 2f33A9 TRP 107 HH2 0.18 0.11 0.07 -0.04 7.19 7.50 2f33A9 ARG 108 H -0.19 0.55 -0.29 -0.55 8.46 7.98 2f33A9 ARG 108 HA -1.09 -0.05 0.51 -0.75 4.34 2.95 2f33A9 ARG 108 HB2 -0.37 -0.16 0.07 -0.04 1.90 1.40 2f33A9 ARG 108 HB3 -0.08 0.08 0.05 -0.04 1.80 1.81 2f33A9 ARG 108 HG2 -1.70 -0.08 -0.39 -0.04 1.67 -0.55 2f33A9 ARG 108 HG3 -0.51 0.26 0.08 -0.04 1.67 1.46 2f33A9 ARG 108 HD2 -0.29 0.27 0.27 -0.04 3.22 3.43 2f33A9 ARG 108 HD3 -0.39 -0.12 -0.04 -0.04 3.22 2.63 2f33A9 LYS 109 H -0.78 0.32 -0.42 -0.55 8.42 6.98 2f33A9 LYS 109 HA -0.30 0.08 0.31 -0.75 4.32 3.65 2f33A9 LYS 109 HB2 -0.54 0.25 0.24 -0.04 1.87 1.77 2f33A9 LYS 109 HB3 -0.23 -0.06 -0.04 -0.04 1.79 1.42 2f33A9 LYS 109 HG2 -0.08 -0.07 0.04 -0.04 1.46 1.30 2f33A9 LYS 109 HG3 -0.16 0.02 0.09 -0.04 1.46 1.38 2f33A9 LYS 109 HD2 -0.17 0.52 0.10 -0.04 1.69 2.10 2f33A9 LYS 109 HD3 -0.13 -0.08 0.11 -0.04 1.68 1.53 2f33A9 LYS 109 HE2 -0.03 -0.06 -0.05 -0.04 2.99 2.81 2f33A9 LYS 109 HE3 -0.04 -0.04 -0.00 -0.04 2.99 2.87 2f33A9 TYR 110 H -1.77 0.25 -0.26 -0.55 8.29 5.96 2f33A9 TYR 110 HA -0.12 0.19 0.60 -0.75 4.56 4.48 2f33A9 TYR 110 HB2 -0.15 -0.11 -0.00 -0.04 3.06 2.75 2f33A9 TYR 110 HB3 -0.14 0.02 0.05 -0.04 2.98 2.87 2f33A9 TYR 110 HD2 -0.29 -0.09 -0.08 -0.04 7.15 6.65 2f33A9 TYR 110 HE2 -0.89 -0.07 0.04 -0.04 6.85 5.88 2f33A9 ASP 111 H -0.62 0.18 -0.71 -0.55 8.40 6.69 2f33A9 ASP 111 HA -0.21 -0.09 0.34 -0.75 4.63 3.92 2f33A9 ASP 111 HB2 -0.89 0.16 0.06 -0.04 2.71 2.00 2f33A9 ASP 111 HB3 -0.48 0.28 0.25 -0.04 2.70 2.71 2f33A9 THR 112 H -0.05 1.07 0.40 -0.55 8.28 9.15 2f33A9 THR 112 HA -0.03 0.05 0.38 -0.75 4.39 4.03 2f33A9 THR 112 HB -0.03 -0.04 0.21 -0.04 4.32 4.42 2f33A9 THR 112 HG23 -0.02 0.03 0.04 -0.04 1.22 1.23 2f33A9 ASP 113 H -0.05 0.10 0.19 -0.55 8.40 8.08 2f33A9 ASP 113 HA -0.22 0.27 0.82 -0.75 4.63 4.74 2f33A9 ASP 113 HB2 -0.11 -0.08 0.00 -0.04 2.71 2.48 2f33A9 ASP 113 HB3 -0.20 0.01 0.09 -0.04 2.70 2.56 2f33A9 HIS 114 H 0.02 0.46 -0.36 -0.55 8.41 7.99 2f33A9 HIS 114 HA -0.23 0.01 0.37 -0.75 4.63 4.02 2f33A9 HIS 114 HB2 -0.25 0.13 0.46 -0.04 3.26 3.56 2f33A9 HIS 114 HB3 -0.14 0.10 0.17 -0.04 3.20 3.29 2f33A9 HIS 114 HD2 -0.13 0.12 -0.31 -0.04 6.97 6.61 2f33A9 HIS 114 HE1 -0.18 0.00 -0.04 -0.04 7.75 7.49 2f33A9 SER 115 H -0.05 0.44 0.19 -0.55 8.46 8.50 2f33A9 SER 115 HA 0.10 0.12 0.49 -0.75 4.49 4.45 2f33A9 SER 115 HB2 0.04 0.05 0.10 -0.04 3.95 4.10 2f33A9 SER 115 HB3 0.20 -0.00 0.04 -0.04 3.93 4.13 2f33A9 GLY 116 H -0.13 0.08 -0.29 -0.55 8.43 7.54 2f33A9 GLY 116 HA2 -0.10 -0.03 0.30 -0.51 4.01 3.66 2f33A9 GLY 116 HA3 -0.67 0.72 0.95 -0.51 4.01 4.50 2f33A9 PHE 117 H -0.05 0.11 -0.25 -0.55 8.34 7.59 2f33A9 PHE 117 HA 0.40 0.07 0.78 -0.75 4.62 5.12 2f33A9 PHE 117 HB2 0.05 -0.04 -0.22 -0.04 3.15 2.90 2f33A9 PHE 117 HB3 0.18 0.00 -0.26 -0.04 3.06 2.94 2f33A9 PHE 117 HD2 0.08 -0.07 -0.09 -0.04 7.28 7.16 2f33A9 PHE 117 HE2 0.06 -0.01 -0.01 -0.04 7.38 7.39 2f33A9 PHE 117 HZ 0.02 -0.06 -0.02 -0.04 7.32 7.22 2f33A9 ILE 118 H -0.20 0.40 0.23 -0.55 8.25 8.14 2f33A9 ILE 118 HA -0.16 0.03 0.50 -0.75 4.18 3.80 2f33A9 ILE 118 HB 0.09 -0.01 0.08 -0.04 1.89 2.01 2f33A9 ILE 118 HG12 -0.23 0.06 0.03 -0.04 1.49 1.31 2f33A9 ILE 118 HG13 0.44 0.02 0.01 -0.04 1.21 1.64 2f33A9 ILE 118 HG23 0.12 -0.05 -0.18 -0.04 0.93 0.79 2f33A9 ILE 118 HD13 -1.46 -0.02 -0.11 -0.04 0.88 -0.75 2f33A9 GLU 119 H 0.01 0.02 0.16 -0.55 8.60 8.25 2f33A9 GLU 119 HA 0.02 0.30 0.81 -0.75 4.29 4.66 2f33A9 GLU 119 HB2 0.01 -0.18 0.17 -0.04 2.09 2.05 2f33A9 GLU 119 HB3 0.01 -0.14 0.24 -0.04 1.99 2.06 2f33A9 GLU 119 HG2 0.02 0.15 -0.10 -0.04 2.34 2.37 2f33A9 GLU 119 HG3 0.01 0.06 0.05 -0.04 2.34 2.41 2f33A9 THR 120 H 0.01 0.20 0.13 -0.55 8.28 8.07 2f33A9 THR 120 HA 0.01 0.29 0.68 -0.75 4.39 4.63 2f33A9 THR 120 HB 0.00 0.17 0.02 -0.04 4.32 4.48 2f33A9 THR 120 HG23 0.00 -0.01 0.08 -0.04 1.22 1.25 2f33A9 GLU 121 H 0.01 0.09 0.10 -0.55 8.60 8.25 2f33A9 GLU 121 HA 0.00 0.19 0.54 -0.75 4.29 4.27 2f33A9 GLU 121 HB2 0.00 0.07 0.09 -0.04 2.09 2.21 2f33A9 GLU 121 HB3 0.00 -0.01 0.09 -0.04 1.99 2.03 2f33A9 GLU 121 HG2 -0.00 0.03 -0.12 -0.04 2.34 2.21 2f33A9 GLU 121 HG3 -0.00 -0.00 0.09 -0.04 2.34 2.39 2f33A9 GLU 122 H 0.01 -0.08 -0.29 -0.55 8.60 7.68 2f33A9 GLU 122 HA 0.01 0.26 0.59 -0.75 4.29 4.40 2f33A9 GLU 122 HB2 0.01 -0.19 0.20 -0.04 2.09 2.07 2f33A9 GLU 122 HB3 0.03 0.08 0.01 -0.04 1.99 2.07 2f33A9 GLU 122 HG2 0.01 0.33 0.23 -0.04 2.34 2.87 2f33A9 GLU 122 HG3 0.01 0.06 0.10 -0.04 2.34 2.47 2f33A9 LEU 123 H 0.03 0.27 -0.30 -0.55 8.37 7.83 2f33A9 LEU 123 HA 0.17 0.12 0.52 -0.75 4.35 4.40 2f33A9 LEU 123 HB2 0.07 0.06 0.16 -0.04 1.64 1.90 2f33A9 LEU 123 HB3 0.01 0.09 0.17 -0.04 1.64 1.87 2f33A9 LEU 123 HG 0.02 0.05 -0.02 -0.04 1.64 1.65 2f33A9 LEU 123 HD13 -0.33 -0.00 -0.17 -0.04 0.93 0.39 2f33A9 LEU 123 HD23 0.15 -0.01 0.02 -0.04 0.89 1.01 2f33A9 LYS 124 H -0.01 0.42 -0.19 -0.55 8.42 8.09 2f33A9 LYS 124 HA -0.05 0.02 0.37 -0.75 4.32 3.90 2f33A9 LYS 124 HB2 -0.01 -0.06 0.13 -0.04 1.87 1.90 2f33A9 LYS 124 HB3 -0.01 0.40 0.33 -0.04 1.79 2.47 2f33A9 LYS 124 HG2 -0.01 -0.03 -0.26 -0.04 1.46 1.11 2f33A9 LYS 124 HG3 -0.00 -0.03 -0.01 -0.04 1.46 1.38 2f33A9 LYS 124 HD2 -0.00 -0.14 0.20 -0.04 1.69 1.70 2f33A9 LYS 124 HD3 -0.01 0.05 -0.12 -0.04 1.68 1.56 2f33A9 LYS 124 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.93 2f33A9 LYS 124 HE3 -0.00 -0.09 0.05 -0.04 2.99 2.91 2f33A9 ASN 125 H -0.02 0.01 -1.12 -0.55 8.53 6.86 2f33A9 ASN 125 HA -0.03 0.04 0.54 -0.75 4.76 4.55 2f33A9 ASN 125 HB2 -0.02 0.33 0.25 -0.04 2.88 3.41 2f33A9 ASN 125 HB3 -0.04 0.13 0.14 -0.04 2.79 2.98 2f33A9 ASN 125 HD21 -0.02 0.00 0.01 -0.04 7.03 6.99 2f33A9 ASN 125 HD22 -0.03 0.04 -0.03 -0.04 7.74 7.68 2f33A9 PHE 126 H -0.02 0.29 -0.07 -0.55 8.34 7.98 2f33A9 PHE 126 HA -0.90 0.01 0.40 -0.75 4.62 3.37 2f33A9 PHE 126 HB2 -0.44 -0.02 0.17 -0.04 3.15 2.82 2f33A9 PHE 126 HB3 -0.26 0.17 0.35 -0.04 3.06 3.27 2f33A9 PHE 126 HD2 -0.12 -0.07 -0.13 -0.04 7.28 6.92 2f33A9 PHE 126 HE2 0.40 -0.01 -0.04 -0.04 7.38 7.68 2f33A9 PHE 126 HZ 0.38 -0.01 -0.06 -0.04 7.32 7.59 2f33A9 LEU 127 H -0.10 0.78 -0.30 -0.55 8.37 8.21 2f33A9 LEU 127 HA -0.25 0.00 0.36 -0.75 4.35 3.71 2f33A9 LEU 127 HB2 -0.14 0.12 0.13 -0.04 1.64 1.70 2f33A9 LEU 127 HB3 -0.08 -0.02 -0.02 -0.04 1.64 1.48 2f33A9 LEU 127 HG -0.14 0.36 0.20 -0.04 1.64 2.02 2f33A9 LEU 127 HD13 -0.34 -0.01 0.08 -0.04 0.93 0.61 2f33A9 LEU 127 HD23 -0.67 0.01 -0.14 -0.04 0.89 0.05 2f33A9 LYS 128 H -0.05 0.31 -0.32 -0.55 8.42 7.81 2f33A9 LYS 128 HA -0.01 -0.00 0.43 -0.75 4.32 3.98 2f33A9 LYS 128 HB2 -0.03 0.16 0.20 -0.04 1.87 2.16 2f33A9 LYS 128 HB3 -0.01 -0.04 0.05 -0.04 1.79 1.74 2f33A9 LYS 128 HG2 -0.01 -0.06 0.06 -0.04 1.46 1.41 2f33A9 LYS 128 HG3 -0.02 0.05 0.18 -0.04 1.46 1.63 2f33A9 LYS 128 HD2 -0.00 -0.02 0.01 -0.04 1.69 1.64 2f33A9 LYS 128 HD3 -0.00 -0.05 -0.00 -0.04 1.68 1.59 2f33A9 LYS 128 HE2 -0.01 0.02 0.04 -0.04 2.99 2.99 2f33A9 LYS 128 HE3 -0.01 0.01 0.01 -0.04 2.99 2.96 2f33A9 ASP 129 H -0.07 0.61 -0.04 -0.55 8.40 8.36 2f33A9 ASP 129 HA -0.01 0.02 0.42 -0.75 4.63 4.30 2f33A9 ASP 129 HB2 -0.21 0.12 0.10 -0.04 2.71 2.69 2f33A9 ASP 129 HB3 -0.04 -0.02 0.04 -0.04 2.70 2.65 2f33A9 LEU 130 H 0.00 0.35 -0.56 -0.55 8.37 7.61 2f33A9 LEU 130 HA 0.09 0.06 0.42 -0.75 4.35 4.16 2f33A9 LEU 130 HB2 -0.03 0.24 0.29 -0.04 1.64 2.10 2f33A9 LEU 130 HB3 0.02 -0.11 -0.04 -0.04 1.64 1.46 2f33A9 LEU 130 HG 0.43 0.18 -0.09 -0.04 1.64 2.11 2f33A9 LEU 130 HD13 -0.54 -0.04 -0.11 -0.04 0.93 0.19 2f33A9 LEU 130 HD23 0.24 -0.01 -0.01 -0.04 0.89 1.07 2f33A9 LEU 131 H 0.02 0.59 0.04 -0.55 8.37 8.48 2f33A9 LEU 131 HA 0.04 -0.03 0.52 -0.75 4.35 4.13 2f33A9 LEU 131 HB2 0.04 -0.43 0.17 -0.04 1.64 1.37 2f33A9 LEU 131 HB3 0.05 0.06 0.20 -0.04 1.64 1.91 2f33A9 LEU 131 HG 0.02 0.13 0.04 -0.04 1.64 1.79 2f33A9 LEU 131 HD13 0.03 -0.08 -0.39 -0.04 0.93 0.46 2f33A9 LEU 131 HD23 0.02 -0.02 0.20 -0.04 0.89 1.05 2f33A9 GLU 132 H 0.02 0.44 -0.36 -0.55 8.60 8.15 2f33A9 GLU 132 HA 0.02 -0.02 0.30 -0.75 4.29 3.84 2f33A9 GLU 132 HB2 0.01 0.11 0.16 -0.04 2.09 2.33 2f33A9 GLU 132 HB3 0.02 0.02 -0.01 -0.04 1.99 1.98 2f33A9 GLU 132 HG2 0.01 -0.05 0.02 -0.04 2.34 2.28 2f33A9 GLU 132 HG3 0.00 -0.02 -0.02 -0.04 2.34 2.27 2f33A9 LYS 133 H 0.03 0.32 -0.71 -0.55 8.42 7.52 2f33A9 LYS 133 HA 0.03 0.09 0.59 -0.75 4.32 4.28 2f33A9 LYS 133 HB2 0.05 -0.01 0.11 -0.04 1.87 1.98 2f33A9 LYS 133 HB3 0.05 0.24 0.22 -0.04 1.79 2.27 2f33A9 LYS 133 HG2 0.04 -0.01 0.05 -0.04 1.46 1.50 2f33A9 LYS 133 HG3 0.06 -0.05 0.01 -0.04 1.46 1.44 2f33A9 LYS 133 HD2 0.04 0.02 -0.71 -0.04 1.69 1.00 2f33A9 LYS 133 HD3 0.05 -0.04 -0.09 -0.04 1.68 1.56 2f33A9 LYS 133 HE2 0.05 0.13 0.02 -0.04 2.99 3.15 2f33A9 LYS 133 HE3 0.05 -0.03 -0.02 -0.04 2.99 2.94 2f33A9 ALA 134 H 0.04 0.22 0.12 -0.55 8.40 8.24 2f33A9 ALA 134 HA 0.03 0.10 0.36 -0.75 4.34 4.08 2f33A9 ALA 134 HB3 0.04 -0.06 0.16 -0.04 1.41 1.50 2f33A9 ASN 135 H 0.03 0.38 -0.68 -0.55 8.53 7.71 2f33A9 ASN 135 HA 0.02 0.06 0.21 -0.75 4.76 4.29 2f33A9 ASN 135 HB2 0.02 0.12 -0.53 -0.04 2.88 2.44 2f33A9 ASN 135 HB3 0.02 -0.05 0.16 -0.04 2.79 2.88 2f33A9 ASN 135 HD21 0.01 -0.04 0.09 -0.04 7.03 7.06 2f33A9 ASN 135 HD22 0.01 -0.03 0.03 -0.04 7.74 7.72 2f33A9 LYS 136 H 0.03 -0.11 -0.72 -0.55 8.42 7.06 2f33A9 LYS 136 HA 0.02 0.27 0.84 -0.75 4.32 4.69 2f33A9 LYS 136 HB2 0.03 -0.04 -0.04 -0.04 1.87 1.78 2f33A9 LYS 136 HB3 0.03 0.17 -0.05 -0.04 1.79 1.89 2f33A9 LYS 136 HG2 0.04 0.09 0.02 -0.04 1.46 1.57 2f33A9 LYS 136 HG3 0.04 -0.23 0.08 -0.04 1.46 1.31 2f33A9 LYS 136 HD2 0.06 -0.17 -0.04 -0.04 1.69 1.49 2f33A9 LYS 136 HD3 0.04 0.08 -0.88 -0.04 1.68 0.88 2f33A9 LYS 136 HE2 0.04 0.13 -0.05 -0.04 2.99 3.07 2f33A9 LYS 136 HE3 0.07 -0.16 -0.28 -0.04 2.99 2.59 2f33A9 THR 137 H 0.03 -0.01 -0.00 -0.55 8.28 7.76 2f33A9 THR 137 HA 0.03 0.03 0.12 -0.75 4.39 3.82 2f33A9 THR 137 HB 0.02 -0.04 0.05 -0.04 4.32 4.31 2f33A9 THR 137 HG23 0.02 -0.03 -0.50 -0.04 1.22 0.67 2f33A9 VAL 138 H 0.05 0.00 0.04 -0.55 8.24 7.78 2f33A9 VAL 138 HA 0.08 -0.03 0.27 -0.75 4.13 3.70 2f33A9 VAL 138 HB 0.08 -0.03 0.17 -0.04 2.12 2.29 2f33A9 VAL 138 HG13 0.15 0.05 -0.20 -0.04 0.97 0.93 2f33A9 VAL 138 HG23 0.11 0.02 -0.04 -0.04 0.95 1.00 2f33A9 ASP 139 H 0.05 0.12 0.31 -0.55 8.40 8.33 2f33A9 ASP 139 HA 0.04 0.20 0.37 -0.75 4.63 4.48 2f33A9 ASP 139 HB2 0.03 -0.06 0.25 -0.04 2.71 2.88 2f33A9 ASP 139 HB3 0.03 0.22 0.23 -0.04 2.70 3.14 2f33A9 ASP 140 H 0.03 0.24 0.18 -0.55 8.40 8.31 2f33A9 ASP 140 HA 0.04 0.10 0.41 -0.75 4.63 4.42 2f33A9 ASP 140 HB2 0.02 0.06 0.20 -0.04 2.71 2.95 2f33A9 ASP 140 HB3 0.02 0.04 0.02 -0.04 2.70 2.73 2f33A9 THR 141 H 0.04 0.11 -0.24 -0.55 8.28 7.64 2f33A9 THR 141 HA 0.03 0.09 0.41 -0.75 4.39 4.16 2f33A9 THR 141 HB 0.03 -0.07 0.06 -0.04 4.32 4.30 2f33A9 THR 141 HG23 -0.02 0.02 -0.01 -0.04 1.22 1.17 2f33A9 LYS 142 H 0.09 0.08 -0.21 -0.55 8.42 7.83 2f33A9 LYS 142 HA 0.24 0.07 0.40 -0.75 4.32 4.27 2f33A9 LYS 142 HB2 0.18 0.05 -0.06 -0.04 1.87 1.99 2f33A9 LYS 142 HB3 0.33 -0.04 0.03 -0.04 1.79 2.07 2f33A9 LYS 142 HG2 0.09 -0.06 0.02 -0.04 1.46 1.47 2f33A9 LYS 142 HG3 0.10 -0.02 -0.01 -0.04 1.46 1.49 2f33A9 LYS 142 HD2 0.15 -0.05 -0.15 -0.04 1.69 1.60 2f33A9 LYS 142 HD3 0.13 0.04 0.02 -0.04 1.68 1.84 2f33A9 LYS 142 HE2 0.04 0.05 -0.01 -0.04 2.99 3.03 2f33A9 LYS 142 HE3 0.05 0.09 -0.04 -0.04 2.99 3.05 2f33A9 LEU 143 H 0.15 0.73 -0.24 -0.55 8.37 8.46 2f33A9 LEU 143 HA 0.19 0.06 0.45 -0.75 4.35 4.29 2f33A9 LEU 143 HB2 0.08 0.38 0.04 -0.04 1.64 2.10 2f33A9 LEU 143 HB3 0.07 -0.10 0.01 -0.04 1.64 1.58 2f33A9 LEU 143 HG -0.01 -0.12 -0.11 -0.04 1.64 1.36 2f33A9 LEU 143 HD13 0.01 0.02 -0.25 -0.04 0.93 0.66 2f33A9 LEU 143 HD23 0.01 0.02 -0.28 -0.04 0.89 0.60 2f33A9 ALA 144 H 0.09 0.79 0.10 -0.55 8.40 8.83 2f33A9 ALA 144 HA 0.06 0.04 0.57 -0.75 4.34 4.26 2f33A9 ALA 144 HB3 0.04 0.09 0.14 -0.04 1.41 1.65 2f33A9 GLU 145 H 0.10 0.47 0.03 -0.55 8.60 8.65 2f33A9 GLU 145 HA 0.05 -0.00 0.39 -0.75 4.29 3.97 2f33A9 GLU 145 HB2 0.01 0.22 0.15 -0.04 2.09 2.42 2f33A9 GLU 145 HB3 -0.06 -0.22 0.14 -0.04 1.99 1.81 2f33A9 GLU 145 HG2 0.02 0.07 0.28 -0.04 2.34 2.67 2f33A9 GLU 145 HG3 -0.05 -0.01 0.10 -0.04 2.34 2.34 2f33A9 TYR 146 H 0.36 0.17 -1.02 -0.55 8.29 7.25 2f33A9 TYR 146 HA 0.49 -0.06 0.48 -0.75 4.56 4.71 2f33A9 TYR 146 HB2 0.59 0.46 0.22 -0.04 3.06 4.30 2f33A9 TYR 146 HB3 0.14 0.20 0.21 -0.04 2.98 3.48 2f33A9 TYR 146 HD2 -0.00 -0.04 0.02 -0.04 7.15 7.08 2f33A9 TYR 146 HE2 -0.36 -0.02 -0.08 -0.04 6.85 6.35 2f33A9 THR 147 H 0.14 0.69 0.15 -0.55 8.28 8.72 2f33A9 THR 147 HA -0.11 0.02 0.39 -0.75 4.39 3.93 2f33A9 THR 147 HB -0.06 0.13 0.18 -0.04 4.32 4.53 2f33A9 THR 147 HG23 0.03 0.06 0.18 -0.04 1.22 1.45 2f33A9 ASP 148 H 0.07 0.76 0.02 -0.55 8.40 8.70 2f33A9 ASP 148 HA 0.03 0.08 0.45 -0.75 4.63 4.44 2f33A9 ASP 148 HB2 0.05 0.04 0.07 -0.04 2.71 2.82 2f33A9 ASP 148 HB3 0.03 -0.00 -0.01 -0.04 2.70 2.68 2f33A9 LEU 149 H 0.11 0.40 -0.26 -0.55 8.37 8.08 2f33A9 LEU 149 HA 0.01 0.01 0.42 -0.75 4.35 4.05 2f33A9 LEU 149 HB2 0.00 -0.14 0.14 -0.04 1.64 1.60 2f33A9 LEU 149 HB3 0.09 0.45 0.31 -0.04 1.64 2.44 2f33A9 LEU 149 HG 0.11 -0.38 0.05 -0.04 1.64 1.38 2f33A9 LEU 149 HD13 0.41 0.04 0.06 -0.04 0.93 1.41 2f33A9 LEU 149 HD23 -0.04 0.02 -0.39 -0.04 0.89 0.45 2f33A9 MET 150 H 0.13 0.38 -0.63 -0.55 8.47 7.80 2f33A9 MET 150 HA 0.08 0.03 0.40 -0.75 4.52 4.28 2f33A9 MET 150 HB2 0.06 0.38 0.19 -0.04 2.15 2.74 2f33A9 MET 150 HB3 0.01 -0.01 -0.03 -0.04 2.03 1.96 2f33A9 MET 150 HG2 0.05 -0.10 -0.02 -0.04 2.63 2.52 2f33A9 MET 150 HG3 0.12 0.00 -0.04 -0.04 2.56 2.60 2f33A9 MET 150 HE3 -0.54 0.00 -0.04 -0.04 2.10 1.48 2f33A9 LEU 151 H 0.05 0.37 -0.24 -0.55 8.37 8.01 2f33A9 LEU 151 HA 0.07 0.02 0.37 -0.75 4.35 4.06 2f33A9 LEU 151 HB2 0.03 0.08 0.25 -0.04 1.64 1.96 2f33A9 LEU 151 HB3 0.02 -0.10 0.00 -0.04 1.64 1.53 2f33A9 LEU 151 HG 0.03 0.13 -0.08 -0.04 1.64 1.68 2f33A9 LEU 151 HD13 0.03 0.02 -0.05 -0.04 0.93 0.89 2f33A9 LEU 151 HD23 0.01 0.00 0.12 -0.04 0.89 0.99 2f33A9 LYS 152 H 0.03 0.48 -0.14 -0.55 8.42 8.23 2f33A9 LYS 152 HA 0.02 0.10 0.62 -0.75 4.32 4.30 2f33A9 LYS 152 HB2 -0.02 -0.05 0.13 -0.04 1.87 1.89 2f33A9 LYS 152 HB3 0.00 0.03 -0.00 -0.04 1.79 1.78 2f33A9 LYS 152 HG2 0.02 0.24 -0.24 -0.04 1.46 1.44 2f33A9 LYS 152 HG3 0.01 -0.05 -0.08 -0.04 1.46 1.30 2f33A9 LYS 152 HD2 0.02 -0.02 -0.06 -0.04 1.69 1.58 2f33A9 LYS 152 HD3 0.02 0.02 -0.06 -0.04 1.68 1.62 2f33A9 LYS 152 HE2 0.02 0.00 -0.31 -0.04 2.99 2.66 2f33A9 LYS 152 HE3 0.03 0.26 -0.02 -0.04 2.99 3.21 2f33A9 LEU 153 H -0.09 0.53 0.05 -0.55 8.37 8.32 2f33A9 LEU 153 HA -0.23 0.08 0.34 -0.75 4.35 3.78 2f33A9 LEU 153 HB2 -0.27 0.15 0.13 -0.04 1.64 1.61 2f33A9 LEU 153 HB3 -0.53 0.02 0.06 -0.04 1.64 1.15 2f33A9 LEU 153 HG -2.16 0.04 0.05 -0.04 1.64 -0.48 2f33A9 LEU 153 HD13 -0.26 -0.03 0.03 -0.04 0.93 0.63 2f33A9 LEU 153 HD23 -0.89 -0.00 -0.06 -0.04 0.89 -0.10 2f33A9 PHE 154 H 0.10 -0.08 -1.16 -0.55 8.34 6.65 2f33A9 PHE 154 HA -0.01 0.26 0.79 -0.75 4.62 4.91 2f33A9 PHE 154 HB2 -0.00 -0.04 -0.10 -0.04 3.15 2.97 2f33A9 PHE 154 HB3 0.04 -0.00 -0.07 -0.04 3.06 2.99 2f33A9 PHE 154 HD2 0.05 0.14 0.00 -0.04 7.28 7.42 2f33A9 PHE 154 HE2 0.03 -0.05 -0.35 -0.04 7.38 6.97 2f33A9 PHE 154 HZ 0.06 0.03 0.05 -0.04 7.32 7.42 2f33A9 ASP 155 H 0.10 0.05 -0.39 -0.55 8.40 7.61 2f33A9 ASP 155 HA 0.01 -0.19 0.45 -0.75 4.63 4.15 2f33A9 ASP 155 HB2 0.03 0.11 0.34 -0.04 2.71 3.15 2f33A9 ASP 155 HB3 0.04 0.12 0.19 -0.04 2.70 3.01 2f33A9 SER 156 H -0.07 -0.08 0.30 -0.55 8.46 8.06 2f33A9 SER 156 HA 0.01 0.31 0.67 -0.75 4.49 4.73 2f33A9 SER 156 HB2 -0.21 0.12 0.15 -0.04 3.95 3.96 2f33A9 SER 156 HB3 -0.12 -0.24 0.01 -0.04 3.93 3.54 2f33A9 ASN 157 H -0.04 -0.22 0.16 -0.55 8.53 7.89 2f33A9 ASN 157 HA -0.01 -0.01 0.26 -0.75 4.76 4.24 2f33A9 ASN 157 HB2 0.01 0.13 -0.17 -0.04 2.88 2.81 2f33A9 ASN 157 HB3 -0.01 0.10 0.38 -0.04 2.79 3.22 2f33A9 ASN 157 HD21 -0.00 0.01 0.04 -0.04 7.03 7.04 2f33A9 ASN 157 HD22 -0.01 -0.04 0.24 -0.04 7.74 7.90 2f33A9 ASN 158 H -0.06 -0.16 0.16 -0.55 8.53 7.93 2f33A9 ASN 158 HA -0.04 0.32 0.74 -0.75 4.76 5.02 2f33A9 ASN 158 HB2 -0.11 0.06 -0.02 -0.04 2.88 2.78 2f33A9 ASN 158 HB3 -0.11 -0.11 0.05 -0.04 2.79 2.59 2f33A9 ASN 158 HD21 -0.06 0.05 -0.00 -0.04 7.03 6.98 2f33A9 ASN 158 HD22 -0.05 0.02 0.03 -0.04 7.74 7.70 2f33A9 ASP 159 H -0.03 -0.10 -0.03 -0.55 8.40 7.69 2f33A9 ASP 159 HA -0.01 0.12 0.23 -0.75 4.63 4.22 2f33A9 ASP 159 HB2 -0.02 0.36 0.31 -0.04 2.71 3.32 2f33A9 ASP 159 HB3 -0.01 -0.12 0.04 -0.04 2.70 2.57 2f33A9 GLY 160 H -0.03 -0.19 0.18 -0.55 8.43 7.84 2f33A9 GLY 160 HA2 -0.01 0.08 0.32 -0.51 4.01 3.89 2f33A9 GLY 160 HA3 -0.00 0.25 0.87 -0.51 4.01 4.61 2f33A9 LYS 161 H -0.05 -0.10 0.01 -0.55 8.42 7.73 2f33A9 LYS 161 HA 0.02 0.03 0.58 -0.75 4.32 4.19 2f33A9 LYS 161 HB2 0.03 0.59 0.17 -0.04 1.87 2.62 2f33A9 LYS 161 HB3 -0.01 -0.13 -0.02 -0.04 1.79 1.58 2f33A9 LYS 161 HG2 -0.08 0.04 -0.07 -0.04 1.46 1.32 2f33A9 LYS 161 HG3 -0.11 -0.23 0.07 -0.04 1.46 1.15 2f33A9 LYS 161 HD2 -0.35 -0.09 -0.17 -0.04 1.69 1.04 2f33A9 LYS 161 HD3 0.04 0.22 -0.48 -0.04 1.68 1.41 2f33A9 LYS 161 HE2 -0.20 -0.02 -0.14 -0.04 2.99 2.59 2f33A9 LYS 161 HE3 0.12 0.12 -0.19 -0.04 2.99 3.01 2f33A9 LEU 162 H 0.07 0.12 -0.11 -0.55 8.37 7.91 2f33A9 LEU 162 HA 0.08 0.09 0.51 -0.75 4.35 4.27 2f33A9 LEU 162 HB2 0.14 0.03 0.03 -0.04 1.64 1.80 2f33A9 LEU 162 HB3 0.33 -0.15 0.08 -0.04 1.64 1.86 2f33A9 LEU 162 HG 0.15 -0.04 -0.09 -0.04 1.64 1.62 2f33A9 LEU 162 HD13 0.67 -0.04 -0.07 -0.04 0.93 1.46 2f33A9 LEU 162 HD23 0.24 0.02 -0.14 -0.04 0.89 0.96 2f33A9 GLU 163 H -0.16 0.17 0.19 -0.55 8.60 8.26 2f33A9 GLU 163 HA 0.81 0.26 0.93 -0.75 4.29 5.54 2f33A9 GLU 163 HB2 0.00 0.05 0.05 -0.04 2.09 2.16 2f33A9 GLU 163 HB3 -1.68 0.10 0.13 -0.04 1.99 0.50 2f33A9 GLU 163 HG2 0.59 -0.23 0.18 -0.04 2.34 2.84 2f33A9 GLU 163 HG3 0.44 0.05 0.24 -0.04 2.34 3.03 2f33A9 LEU 164 H 0.16 0.22 0.19 -0.55 8.37 8.40 2f33A9 LEU 164 HA -0.75 0.12 0.64 -0.75 4.35 3.60 2f33A9 LEU 164 HB2 -0.27 0.06 0.05 -0.04 1.64 1.44 2f33A9 LEU 164 HB3 -0.33 0.01 -0.14 -0.04 1.64 1.14 2f33A9 LEU 164 HG -1.85 -0.03 -0.03 -0.04 1.64 -0.31 2f33A9 LEU 164 HD13 -0.60 0.03 -0.01 -0.04 0.93 0.30 2f33A9 LEU 164 HD23 -0.53 -0.00 -0.07 -0.04 0.89 0.25 2f33A9 THR 165 H 0.31 0.19 0.03 -0.55 8.28 8.27 2f33A9 THR 165 HA -0.19 0.07 0.26 -0.75 4.39 3.78 2f33A9 THR 165 HB -1.08 0.10 -0.01 -0.04 4.32 3.29 2f33A9 THR 165 HG23 -0.11 0.04 0.05 -0.04 1.22 1.17 2f33A9 GLU 166 H -0.06 0.05 -0.90 -0.55 8.60 7.13 2f33A9 GLU 166 HA -0.30 0.24 0.58 -0.75 4.29 4.06 2f33A9 GLU 166 HB2 0.59 -0.01 0.03 -0.04 2.09 2.66 2f33A9 GLU 166 HB3 0.18 -0.04 0.05 -0.04 1.99 2.14 2f33A9 GLU 166 HG2 -0.05 0.03 -0.22 -0.04 2.34 2.05 2f33A9 GLU 166 HG3 0.13 0.59 0.13 -0.04 2.34 3.15 2f33A9 MET 167 H 0.05 0.20 0.07 -0.55 8.47 8.24 2f33A9 MET 167 HA -0.10 0.05 0.41 -0.75 4.52 4.13 2f33A9 MET 167 HB2 -0.01 0.07 0.22 -0.04 2.15 2.39 2f33A9 MET 167 HB3 0.14 0.01 0.00 -0.04 2.03 2.14 2f33A9 MET 167 HG2 -0.08 -0.02 0.03 -0.04 2.63 2.53 2f33A9 MET 167 HG3 0.24 0.02 0.03 -0.04 2.56 2.80 2f33A9 MET 167 HE3 0.98 0.01 -0.04 -0.04 2.10 3.00 2f33A9 ALA 168 H -0.09 0.80 -0.28 -0.55 8.40 8.28 2f33A9 ALA 168 HA 0.07 -0.01 0.34 -0.75 4.34 3.98 2f33A9 ALA 168 HB3 -0.08 0.02 -0.26 -0.04 1.41 1.05 2f33A9 ARG 169 H -0.07 0.33 -0.60 -0.55 8.46 7.56 2f33A9 ARG 169 HA 0.12 0.15 0.71 -0.75 4.34 4.57 2f33A9 ARG 169 HB2 -0.20 -0.00 0.22 -0.04 1.90 1.88 2f33A9 ARG 169 HB3 -0.06 0.21 0.21 -0.04 1.80 2.12 2f33A9 ARG 169 HG2 -0.10 0.36 0.24 -0.04 1.67 2.13 2f33A9 ARG 169 HG3 -0.13 -0.18 -0.00 -0.04 1.67 1.32 2f33A9 ARG 169 HD2 -0.23 0.24 0.21 -0.04 3.22 3.40 2f33A9 ARG 169 HD3 -0.18 -0.17 0.12 -0.04 3.22 2.95 2f33A9 LEU 170 H -0.05 0.33 -0.21 -0.55 8.37 7.89 2f33A9 LEU 170 HA 0.06 -0.35 0.88 -0.75 4.35 4.19 2f33A9 LEU 170 HB2 -0.36 0.08 0.03 -0.04 1.64 1.35 2f33A9 LEU 170 HB3 0.35 -0.11 0.06 -0.04 1.64 1.89 2f33A9 LEU 170 HG -0.11 0.25 0.22 -0.04 1.64 1.96 2f33A9 LEU 170 HD13 -0.46 -0.02 -0.03 -0.04 0.93 0.37 2f33A9 LEU 170 HD23 0.10 -0.00 -0.07 -0.04 0.89 0.88 2f33A9 LEU 171 H 0.00 0.08 -0.46 -0.55 8.37 7.44 2f33A9 LEU 171 HA -0.14 0.05 0.58 -0.75 4.35 4.08 2f33A9 LEU 171 HB2 0.14 -0.02 0.05 -0.04 1.64 1.76 2f33A9 LEU 171 HB3 -0.12 0.12 0.04 -0.04 1.64 1.64 2f33A9 LEU 171 HG 0.12 -0.16 0.22 -0.04 1.64 1.77 2f33A9 LEU 171 HD13 0.14 -0.03 -0.47 -0.04 0.93 0.53 2f33A9 LEU 171 HD23 0.36 -0.03 -0.07 -0.04 0.89 1.11 2f33A9 PRO 172 HA 0.12 0.07 0.45 -0.51 4.44 4.57 2f33A9 PRO 172 HB2 0.13 -0.15 0.17 -0.04 2.28 2.39 2f33A9 PRO 172 HB3 0.10 0.12 0.09 -0.04 2.02 2.29 2f33A9 PRO 172 HG2 0.14 -0.05 -0.01 -0.04 2.03 2.07 2f33A9 PRO 172 HG3 0.07 0.09 0.01 -0.04 2.03 2.15 2f33A9 PRO 172 HD2 0.22 0.04 0.06 -0.04 3.68 3.96 2f33A9 PRO 172 HD3 -0.07 0.07 -0.36 -0.04 3.65 3.25 2f33A9 VAL 173 H 0.17 0.28 0.27 -0.55 8.24 8.41 2f33A9 VAL 173 HA 0.13 0.08 0.43 -0.75 4.13 4.02 2f33A9 VAL 173 HB 0.07 0.04 -0.00 -0.04 2.12 2.19 2f33A9 VAL 173 HG13 0.25 0.02 0.00 -0.04 0.97 1.20 2f33A9 VAL 173 HG23 0.27 0.01 0.07 -0.04 0.95 1.27 2f33A9 GLN 174 H 0.12 0.01 -0.27 -0.55 8.47 7.78 2f33A9 GLN 174 HA 0.08 0.12 0.35 -0.75 4.36 4.15 2f33A9 GLN 174 HB2 0.09 -0.08 0.05 -0.04 2.15 2.16 2f33A9 GLN 174 HB3 0.06 0.07 -0.03 -0.04 2.02 2.08 2f33A9 GLN 174 HG2 0.07 0.05 0.02 -0.04 2.40 2.50 2f33A9 GLN 174 HG3 0.08 0.06 0.05 -0.04 2.39 2.54 2f33A9 GLN 174 HE21 0.17 -0.03 0.05 -0.04 6.97 7.12 2f33A9 GLN 174 HE22 0.13 0.09 0.03 -0.04 7.69 7.89 2f33A9 GLU 175 H 0.10 0.10 -0.22 -0.55 8.60 8.04 2f33A9 GLU 175 HA 0.08 0.29 0.89 -0.75 4.29 4.79 2f33A9 GLU 175 HB2 0.07 -0.05 0.01 -0.04 2.09 2.08 2f33A9 GLU 175 HB3 0.06 -0.08 0.12 -0.04 1.99 2.05 2f33A9 GLU 175 HG2 0.03 0.05 0.08 -0.04 2.34 2.46 2f33A9 GLU 175 HG3 0.04 0.03 -0.12 -0.04 2.34 2.25 2f33A9 ASN 176 H 0.13 0.19 -0.25 -0.55 8.53 8.05 2f33A9 ASN 176 HA 0.25 0.01 0.64 -0.75 4.76 4.91 2f33A9 ASN 176 HB2 0.14 -0.08 -0.01 -0.04 2.88 2.88 2f33A9 ASN 176 HB3 0.16 0.41 0.12 -0.04 2.79 3.44 2f33A9 ASN 176 HD21 0.07 0.00 -0.15 -0.04 7.03 6.91 2f33A9 ASN 176 HD22 0.08 0.10 -0.12 -0.04 7.74 7.75 2f33A9 PHE 177 H 0.72 0.21 0.18 -0.55 8.34 8.89 2f33A9 PHE 177 HA 0.30 0.16 0.43 -0.75 4.62 4.75 2f33A9 PHE 177 HB2 0.54 0.04 0.07 -0.04 3.15 3.76 2f33A9 PHE 177 HB3 0.50 0.05 0.08 -0.04 3.06 3.64 2f33A9 PHE 177 HD2 -0.44 -0.05 0.03 -0.04 7.28 6.79 2f33A9 PHE 177 HE2 -0.57 0.03 -0.04 -0.04 7.38 6.76 2f33A9 PHE 177 HZ -0.29 0.04 -0.11 -0.04 7.32 6.92 2f33A9 LEU 178 H -0.18 0.00 -0.44 -0.55 8.37 7.20 2f33A9 LEU 178 HA -0.63 0.11 0.27 -0.75 4.35 3.36 2f33A9 LEU 178 HB2 -0.08 0.05 -0.09 -0.04 1.64 1.48 2f33A9 LEU 178 HB3 -0.18 0.04 -0.05 -0.04 1.64 1.41 2f33A9 LEU 178 HG -0.14 0.04 -0.07 -0.04 1.64 1.43 2f33A9 LEU 178 HD13 -0.57 0.01 -0.06 -0.04 0.93 0.28 2f33A9 LEU 178 HD23 -0.20 -0.03 -0.03 -0.04 0.89 0.59 2f33A9 LEU 179 H 0.00 0.28 -0.54 -0.55 8.37 7.56 2f33A9 LEU 179 HA -0.04 0.17 0.60 -0.75 4.35 4.32 2f33A9 LEU 179 HB2 -0.04 -0.00 0.05 -0.04 1.64 1.60 2f33A9 LEU 179 HB3 0.00 0.05 0.12 -0.04 1.64 1.77 2f33A9 LEU 179 HG -0.16 -0.00 -0.04 -0.04 1.64 1.40 2f33A9 LEU 179 HD13 -0.04 0.01 -0.25 -0.04 0.93 0.61 2f33A9 LEU 179 HD23 -0.14 -0.00 0.02 -0.04 0.89 0.72 2f33A9 LYS 180 H 0.06 0.15 0.03 -0.55 8.42 8.11 2f33A9 LYS 180 HA -0.01 0.10 0.48 -0.75 4.32 4.14 2f33A9 LYS 180 HB2 0.14 -0.07 0.19 -0.04 1.87 2.10 2f33A9 LYS 180 HB3 0.01 0.06 -0.09 -0.04 1.79 1.72 2f33A9 LYS 180 HG2 0.04 -0.02 0.33 -0.04 1.46 1.77 2f33A9 LYS 180 HG3 0.02 -0.03 0.10 -0.04 1.46 1.50 2f33A9 LYS 180 HD2 0.16 -0.08 0.07 -0.04 1.69 1.80 2f33A9 LYS 180 HD3 0.09 0.04 0.06 -0.04 1.68 1.83 2f33A9 LYS 180 HE2 0.04 0.02 0.02 -0.04 2.99 3.04 2f33A9 LYS 180 HE3 0.03 -0.04 0.00 -0.04 2.99 2.93 2f33A9 PHE 181 H 0.08 0.70 -0.15 -0.55 8.34 8.42 2f33A9 PHE 181 HA -0.13 0.00 0.39 -0.75 4.62 4.13 2f33A9 PHE 181 HB2 -0.37 0.11 -0.13 -0.04 3.15 2.72 2f33A9 PHE 181 HB3 -0.27 0.54 0.02 -0.04 3.06 3.30 2f33A9 PHE 181 HD2 -0.08 0.07 -0.24 -0.04 7.28 6.98 2f33A9 PHE 181 HE2 -0.33 -0.07 -0.10 -0.04 7.38 6.83 2f33A9 PHE 181 HZ -0.03 -0.06 -0.12 -0.04 7.32 7.06 2f33A9 GLN 182 H -0.00 0.22 -0.50 -0.55 8.47 7.63 2f33A9 GLN 182 HA 0.03 0.19 0.48 -0.75 4.36 4.31 2f33A9 GLN 182 HB2 -0.02 0.15 0.17 -0.04 2.15 2.41 2f33A9 GLN 182 HB3 -0.00 0.04 0.09 -0.04 2.02 2.11 2f33A9 GLN 182 HG2 0.04 0.05 -0.07 -0.04 2.40 2.37 2f33A9 GLN 182 HG3 0.01 -0.10 0.02 -0.04 2.39 2.28 2f33A9 GLN 182 HE21 0.03 0.01 -0.03 -0.04 6.97 6.94 2f33A9 GLN 182 HE22 0.01 -0.00 0.00 -0.04 7.69 7.66 2f33A9 GLY 183 H -0.02 0.36 -0.10 -0.55 8.43 8.12 2f33A9 GLY 183 HA2 -0.01 0.07 0.35 -0.51 4.01 3.90 2f33A9 GLY 183 HA3 -0.03 0.01 0.28 -0.51 4.01 3.76 2f33A9 ILE 184 H -0.09 0.14 -0.77 -0.55 8.25 6.98 2f33A9 ILE 184 HA -0.13 -0.05 0.31 -0.75 4.18 3.56 2f33A9 ILE 184 HB -0.34 0.06 0.11 -0.04 1.89 1.68 2f33A9 ILE 184 HG12 -0.37 -0.06 -0.06 -0.04 1.49 0.97 2f33A9 ILE 184 HG13 -0.25 0.03 -0.06 -0.04 1.21 0.89 2f33A9 ILE 184 HG23 -0.33 -0.03 -0.31 -0.04 0.93 0.21 2f33A9 ILE 184 HD13 -1.02 -0.07 -0.43 -0.04 0.88 -0.67 2f33A9 LYS 185 H -0.03 0.28 -0.74 -0.55 8.42 7.37 2f33A9 LYS 185 HA 0.03 -0.15 -0.02 -0.75 4.32 3.43 2f33A9 LYS 185 HB2 0.03 -0.25 -0.01 -0.04 1.87 1.61 2f33A9 LYS 185 HB3 0.02 0.29 0.07 -0.04 1.79 2.13 2f33A9 LYS 185 HG2 -0.02 0.26 -0.77 -0.04 1.46 0.89 2f33A9 LYS 185 HG3 0.01 -0.09 0.03 -0.04 1.46 1.37 2f33A9 LYS 185 HD2 0.01 -0.05 0.01 -0.04 1.69 1.62 2f33A9 LYS 185 HD3 -0.00 0.11 0.02 -0.04 1.68 1.77 2f33A9 LYS 185 HE2 0.00 0.01 0.02 -0.04 2.99 2.98 2f33A9 LYS 185 HE3 0.01 -0.08 0.00 -0.04 2.99 2.88 2f33A9 MET 186 H 0.07 0.35 0.06 -0.55 8.47 8.40 2f33A9 MET 186 HA 0.05 0.27 0.57 -0.75 4.52 4.66 2f33A9 MET 186 HB2 0.13 0.25 0.11 -0.04 2.15 2.59 2f33A9 MET 186 HB3 0.19 -0.46 0.17 -0.04 2.03 1.89 2f33A9 MET 186 HG2 0.14 -0.36 -0.30 -0.04 2.63 2.07 2f33A9 MET 186 HG3 0.09 0.17 -0.05 -0.04 2.56 2.74 2f33A9 MET 186 HE3 0.18 0.03 -0.09 -0.04 2.10 2.19 2f33A9 CYS 187 H 0.13 -0.10 0.26 -0.55 8.50 8.24 2f33A9 CYS 187 HA 0.08 0.16 0.31 -0.75 4.58 4.38 2f33A9 CYS 187 HB2 0.06 0.60 0.70 -0.04 2.97 4.29 2f33A9 CYS 187 HB3 0.08 -0.34 0.04 -0.04 2.97 2.71 2f33A9 GLY 188 H 0.24 0.04 0.19 -0.55 8.43 8.35 2f33A9 GLY 188 HA2 0.67 0.07 0.44 -0.51 4.01 4.68 2f33A9 GLY 188 HA3 0.28 0.28 0.55 -0.51 4.01 4.61 2f33A9 LYS 189 H 0.12 0.67 -0.91 -0.55 8.42 7.75 2f33A9 LYS 189 HA -0.00 0.15 0.53 -0.75 4.32 4.25 2f33A9 LYS 189 HB2 0.05 0.11 0.12 -0.04 1.87 2.11 2f33A9 LYS 189 HB3 0.02 0.05 -0.04 -0.04 1.79 1.78 2f33A9 LYS 189 HG2 0.01 0.04 0.03 -0.04 1.46 1.49 2f33A9 LYS 189 HG3 0.01 -0.02 0.04 -0.04 1.46 1.45 2f33A9 LYS 189 HD2 0.04 0.05 0.07 -0.04 1.69 1.81 2f33A9 LYS 189 HD3 0.02 0.03 0.03 -0.04 1.68 1.72 2f33A9 LYS 189 HE2 0.06 -0.11 -0.01 -0.04 2.99 2.89 2f33A9 LYS 189 HE3 0.05 0.06 0.06 -0.04 2.99 3.11 2f33A9 GLU 190 H 0.09 0.10 -0.27 -0.55 8.60 7.97 2f33A9 GLU 190 HA 0.02 0.16 0.40 -0.75 4.29 4.12 2f33A9 GLU 190 HB2 0.08 0.06 -0.13 -0.04 2.09 2.06 2f33A9 GLU 190 HB3 0.08 0.05 -0.12 -0.04 1.99 1.96 2f33A9 GLU 190 HG2 0.03 0.14 0.01 -0.04 2.34 2.48 2f33A9 GLU 190 HG3 0.02 -0.02 0.01 -0.04 2.34 2.31 2f33A9 PHE 191 H 0.23 -0.13 -0.73 -0.55 8.34 7.15 2f33A9 PHE 191 HA 0.15 0.16 0.36 -0.75 4.62 4.54 2f33A9 PHE 191 HB2 0.16 0.08 -0.02 -0.04 3.15 3.33 2f33A9 PHE 191 HB3 0.13 -0.26 0.08 -0.04 3.06 2.97 2f33A9 PHE 191 HD2 0.18 -0.11 0.01 -0.04 7.28 7.32 2f33A9 PHE 191 HE2 0.35 0.03 -0.11 -0.04 7.38 7.61 2f33A9 PHE 191 HZ 0.36 0.05 -0.05 -0.04 7.32 7.64 2f33A9 ASN 192 H -0.41 0.59 -0.18 -0.55 8.53 7.98 2f33A9 ASN 192 HA -0.65 0.01 0.34 -0.75 4.76 3.70 2f33A9 ASN 192 HB2 -0.34 0.18 0.25 -0.04 2.88 2.93 2f33A9 ASN 192 HB3 -0.19 0.07 0.02 -0.04 2.79 2.65 2f33A9 ASN 192 HD21 -0.15 0.02 -0.08 -0.04 7.03 6.79 2f33A9 ASN 192 HD22 -0.17 0.01 -0.02 -0.04 7.74 7.52 2f33A9 LYS 193 H -0.08 0.61 -0.29 -0.55 8.42 8.10 2f33A9 LYS 193 HA -0.05 0.05 0.36 -0.75 4.32 3.93 2f33A9 LYS 193 HB2 -0.03 0.08 0.09 -0.04 1.87 1.97 2f33A9 LYS 193 HB3 -0.03 0.05 0.10 -0.04 1.79 1.86 2f33A9 LYS 193 HG2 -0.04 0.02 -0.05 -0.04 1.46 1.35 2f33A9 LYS 193 HG3 -0.06 -0.07 0.01 -0.04 1.46 1.30 2f33A9 LYS 193 HD2 -0.03 -0.01 0.01 -0.04 1.69 1.62 2f33A9 LYS 193 HD3 -0.02 0.01 -0.02 -0.04 1.68 1.60 2f33A9 LYS 193 HE2 -0.04 -0.01 -0.02 -0.04 2.99 2.88 2f33A9 LYS 193 HE3 -0.03 0.01 -0.01 -0.04 2.99 2.92 2f33A9 ALA 194 H 0.00 0.42 -0.54 -0.55 8.40 7.74 2f33A9 ALA 194 HA -0.42 -0.02 0.42 -0.75 4.34 3.56 2f33A9 ALA 194 HB3 0.19 0.00 0.12 -0.04 1.41 1.69 2f33A9 PHE 195 H 0.19 0.69 -0.11 -0.55 8.34 8.55 2f33A9 PHE 195 HA 0.19 -0.10 0.24 -0.75 4.62 4.18 2f33A9 PHE 195 HB2 -0.09 0.02 0.15 -0.04 3.15 3.19 2f33A9 PHE 195 HB3 -0.04 0.11 -0.02 -0.04 3.06 3.07 2f33A9 PHE 195 HD2 0.15 0.02 -0.07 -0.04 7.28 7.34 2f33A9 PHE 195 HE2 0.22 0.20 -0.04 -0.04 7.38 7.71 2f33A9 PHE 195 HZ 0.18 -0.07 0.03 -0.04 7.32 7.41 2f33A9 GLU 196 H 0.07 0.25 -0.85 -0.55 8.60 7.53 2f33A9 GLU 196 HA 0.06 -0.00 0.52 -0.75 4.29 4.12 2f33A9 GLU 196 HB2 -0.02 0.06 0.23 -0.04 2.09 2.32 2f33A9 GLU 196 HB3 -0.02 -0.02 -0.02 -0.04 1.99 1.89 2f33A9 GLU 196 HG2 -0.01 -0.01 0.02 -0.04 2.34 2.29 2f33A9 GLU 196 HG3 -0.03 -0.02 -0.05 -0.04 2.34 2.20 2f33A9 LEU 197 H -0.10 0.87 0.25 -0.55 8.37 8.84 2f33A9 LEU 197 HA -0.06 0.06 0.37 -0.75 4.35 3.96 2f33A9 LEU 197 HB2 -0.23 0.07 0.09 -0.04 1.64 1.54 2f33A9 LEU 197 HB3 -0.50 -0.05 0.06 -0.04 1.64 1.11 2f33A9 LEU 197 HG -0.14 -0.02 -0.03 -0.04 1.64 1.41 2f33A9 LEU 197 HD13 -0.05 -0.00 -0.06 -0.04 0.93 0.77 2f33A9 LEU 197 HD23 -0.06 0.00 -0.02 -0.04 0.89 0.77 2f33A9 TYR 198 H -0.38 0.64 0.04 -0.55 8.29 8.05 2f33A9 TYR 198 HA 0.02 0.00 0.30 -0.75 4.56 4.13 2f33A9 TYR 198 HB2 0.02 0.09 -0.13 -0.04 3.06 3.00 2f33A9 TYR 198 HB3 0.00 -0.16 -0.01 -0.04 2.98 2.77 2f33A9 TYR 198 HD2 0.02 -0.02 -0.21 -0.04 7.15 6.90 2f33A9 TYR 198 HE2 0.06 0.04 -0.11 -0.04 6.85 6.80 2f33A9 ASP 199 H 0.10 0.23 -1.25 -0.55 8.40 6.92 2f33A9 ASP 199 HA 0.10 0.00 0.68 -0.75 4.63 4.66 2f33A9 ASP 199 HB2 0.12 0.35 0.31 -0.04 2.71 3.44 2f33A9 ASP 199 HB3 0.08 -0.24 0.29 -0.04 2.70 2.78 2f33A9 GLN 200 H 0.06 0.40 0.08 -0.55 8.47 8.47 2f33A9 GLN 200 HA 0.03 0.22 0.56 -0.75 4.36 4.41 2f33A9 GLN 200 HB2 0.03 -0.07 0.10 -0.04 2.15 2.17 2f33A9 GLN 200 HB3 0.03 -0.01 0.11 -0.04 2.02 2.11 2f33A9 GLN 200 HG2 0.05 0.30 -0.03 -0.04 2.40 2.67 2f33A9 GLN 200 HG3 0.06 -0.02 0.06 -0.04 2.39 2.46 2f33A9 GLN 200 HE21 0.07 -0.02 -0.00 -0.04 6.97 6.97 2f33A9 GLN 200 HE22 0.04 -0.03 -0.01 -0.04 7.69 7.65 2f33A9 ASP 201 H 0.04 0.01 -0.06 -0.55 8.40 7.84 2f33A9 ASP 201 HA 0.02 0.25 0.75 -0.75 4.63 4.89 2f33A9 ASP 201 HB2 0.03 -0.06 0.11 -0.04 2.71 2.75 2f33A9 ASP 201 HB3 0.03 0.02 -0.02 -0.04 2.70 2.69 2f33A9 GLY 202 H 0.04 0.12 -0.38 -0.55 8.43 7.66 2f33A9 GLY 202 HA2 0.03 0.09 0.31 -0.51 4.01 3.93 2f33A9 GLY 202 HA3 0.02 0.15 0.45 -0.51 4.01 4.12 2f33A9 ASN 203 H 0.05 -0.07 -0.03 -0.55 8.53 7.94 2f33A9 ASN 203 HA 0.02 0.31 0.86 -0.75 4.76 5.20 2f33A9 ASN 203 HB2 0.08 -0.10 0.01 -0.04 2.88 2.83 2f33A9 ASN 203 HB3 0.04 0.05 0.08 -0.04 2.79 2.92 2f33A9 ASN 203 HD21 0.06 -0.04 -0.03 -0.04 7.03 6.98 2f33A9 ASN 203 HD22 0.03 0.06 -0.05 -0.04 7.74 7.74 2f33A9 GLY 204 H 0.08 0.03 0.07 -0.55 8.43 8.06 2f33A9 GLY 204 HA2 0.15 0.08 0.32 -0.51 4.01 4.05 2f33A9 GLY 204 HA3 0.03 0.17 0.56 -0.51 4.01 4.26 2f33A9 TYR 205 H 0.16 -0.03 -0.26 -0.55 8.29 7.61 2f33A9 TYR 205 HA -0.10 0.18 0.99 -0.75 4.56 4.88 2f33A9 TYR 205 HB2 -0.12 0.10 -0.20 -0.04 3.06 2.80 2f33A9 TYR 205 HB3 -0.05 -0.07 -0.07 -0.04 2.98 2.75 2f33A9 TYR 205 HD2 -0.14 -0.02 -0.03 -0.04 7.15 6.92 2f33A9 TYR 205 HE2 0.17 -0.07 -0.53 -0.04 6.85 6.37 2f33A9 ILE 206 H 0.20 0.62 0.27 -0.55 8.25 8.79 2f33A9 ILE 206 HA -0.06 0.15 0.97 -0.75 4.18 4.48 2f33A9 ILE 206 HB -0.08 -0.00 0.05 -0.04 1.89 1.82 2f33A9 ILE 206 HG12 0.08 0.09 -0.20 -0.04 1.49 1.42 2f33A9 ILE 206 HG13 0.05 -0.02 -0.47 -0.04 1.21 0.73 2f33A9 ILE 206 HG23 -0.14 -0.01 -0.24 -0.04 0.93 0.50 2f33A9 ILE 206 HD13 0.03 -0.00 -0.17 -0.04 0.88 0.69 2f33A9 ASP 207 H -0.16 0.16 0.21 -0.55 8.40 8.07 2f33A9 ASP 207 HA -0.25 -0.06 1.04 -0.75 4.63 4.62 2f33A9 ASP 207 HB2 -0.14 0.16 0.25 -0.04 2.71 2.94 2f33A9 ASP 207 HB3 -0.27 0.11 0.10 -0.04 2.70 2.60 2f33A9 GLU 208 H -0.10 0.53 0.26 -0.55 8.60 8.74 2f33A9 GLU 208 HA -0.09 0.07 0.30 -0.75 4.29 3.82 2f33A9 GLU 208 HB2 -0.07 0.03 0.05 -0.04 2.09 2.06 2f33A9 GLU 208 HB3 -0.06 0.09 0.13 -0.04 1.99 2.10 2f33A9 GLU 208 HG2 -0.06 0.20 0.14 -0.04 2.34 2.58 2f33A9 GLU 208 HG3 -0.07 -0.23 0.09 -0.04 2.34 2.09 2f33A9 ASN 209 H -0.08 0.01 -0.76 -0.55 8.53 7.14 2f33A9 ASN 209 HA -0.05 0.17 0.59 -0.75 4.76 4.71 2f33A9 ASN 209 HB2 -0.05 -0.02 0.09 -0.04 2.88 2.86 2f33A9 ASN 209 HB3 -0.04 0.06 0.02 -0.04 2.79 2.79 2f33A9 ASN 209 HD21 -0.02 0.01 -0.03 -0.04 7.03 6.96 2f33A9 ASN 209 HD22 -0.02 0.04 -0.01 -0.04 7.74 7.71 2f33A9 GLU 210 H -0.08 0.15 0.10 -0.55 8.60 8.22 2f33A9 GLU 210 HA -0.06 0.10 0.36 -0.75 4.29 3.94 2f33A9 GLU 210 HB2 -0.08 -0.08 0.24 -0.04 2.09 2.13 2f33A9 GLU 210 HB3 -0.11 0.02 -0.01 -0.04 1.99 1.84 2f33A9 GLU 210 HG2 0.11 0.23 0.21 -0.04 2.34 2.85 2f33A9 GLU 210 HG3 0.03 -0.02 0.12 -0.04 2.34 2.42 2f33A9 LEU 211 H -0.13 0.51 -0.40 -0.55 8.37 7.80 2f33A9 LEU 211 HA -0.24 0.04 0.27 -0.75 4.35 3.66 2f33A9 LEU 211 HB2 -0.12 0.01 -0.19 -0.04 1.64 1.30 2f33A9 LEU 211 HB3 -0.11 0.18 0.02 -0.04 1.64 1.69 2f33A9 LEU 211 HG -0.11 -0.01 -0.14 -0.04 1.64 1.34 2f33A9 LEU 211 HD13 -0.12 -0.01 -0.09 -0.04 0.93 0.67 2f33A9 LEU 211 HD23 -0.11 0.04 -0.22 -0.04 0.89 0.56 2f33A9 ASP 212 H -0.09 0.43 -0.34 -0.55 8.40 7.85 2f33A9 ASP 212 HA -0.02 -0.05 0.33 -0.75 4.63 4.13 2f33A9 ASP 212 HB2 -0.05 0.06 0.16 -0.04 2.71 2.84 2f33A9 ASP 212 HB3 -0.04 0.19 0.16 -0.04 2.70 2.97 2f33A9 ALA 213 H -0.09 0.41 -0.48 -0.55 8.40 7.70 2f33A9 ALA 213 HA 0.01 0.00 0.40 -0.75 4.34 4.00 2f33A9 ALA 213 HB3 -0.00 0.02 0.07 -0.04 1.41 1.46 2f33A9 LEU 214 H -0.24 0.44 -0.34 -0.55 8.37 7.69 2f33A9 LEU 214 HA -0.12 0.06 0.52 -0.75 4.35 4.06 2f33A9 LEU 214 HB2 -1.11 -0.05 0.01 -0.04 1.64 0.44 2f33A9 LEU 214 HB3 -0.30 0.17 0.22 -0.04 1.64 1.69 2f33A9 LEU 214 HG 0.05 -0.07 -0.11 -0.04 1.64 1.47 2f33A9 LEU 214 HD13 0.23 -0.01 -0.23 -0.04 0.93 0.87 2f33A9 LEU 214 HD23 0.29 -0.02 -0.17 -0.04 0.89 0.95 2f33A9 LEU 215 H 0.02 0.58 0.00 -0.55 8.37 8.43 2f33A9 LEU 215 HA 0.20 0.05 0.34 -0.75 4.35 4.19 2f33A9 LEU 215 HB2 0.38 -0.04 -0.05 -0.04 1.64 1.89 2f33A9 LEU 215 HB3 0.42 -0.02 -0.01 -0.04 1.64 1.99 2f33A9 LEU 215 HG 0.05 0.15 0.19 -0.04 1.64 1.99 2f33A9 LEU 215 HD13 0.07 -0.04 0.02 -0.04 0.93 0.94 2f33A9 LEU 215 HD23 0.01 -0.06 -0.71 -0.04 0.89 0.09 2f33A9 LYS 216 H 0.07 0.62 -0.19 -0.55 8.42 8.36 2f33A9 LYS 216 HA 0.08 -0.03 0.34 -0.75 4.32 3.96 2f33A9 LYS 216 HB2 0.04 0.26 0.15 -0.04 1.87 2.28 2f33A9 LYS 216 HB3 0.05 0.03 -0.09 -0.04 1.79 1.74 2f33A9 LYS 216 HG2 0.03 0.01 -0.01 -0.04 1.46 1.44 2f33A9 LYS 216 HG3 0.05 -0.06 0.05 -0.04 1.46 1.46 2f33A9 LYS 216 HD2 0.04 -0.15 -0.03 -0.04 1.69 1.51 2f33A9 LYS 216 HD3 0.02 0.14 -0.08 -0.04 1.68 1.72 2f33A9 LYS 216 HE2 0.01 0.02 -0.01 -0.04 2.99 2.98 2f33A9 LYS 216 HE3 0.00 -0.08 -0.04 -0.04 2.99 2.83 2f33A9 ASP 217 H 0.08 0.30 -0.53 -0.55 8.40 7.71 2f33A9 ASP 217 HA 0.06 0.02 0.36 -0.75 4.63 4.32 2f33A9 ASP 217 HB2 0.18 0.21 0.22 -0.04 2.71 3.28 2f33A9 ASP 217 HB3 0.11 -0.03 -0.04 -0.04 2.70 2.69 2f33A9 LEU 218 H 0.05 0.46 -0.11 -0.55 8.37 8.22 2f33A9 LEU 218 HA -0.03 0.04 0.29 -0.75 4.35 3.89 2f33A9 LEU 218 HB2 -0.17 0.08 0.07 -0.04 1.64 1.58 2f33A9 LEU 218 HB3 -0.26 -0.00 -0.02 -0.04 1.64 1.31 2f33A9 LEU 218 HG 0.04 0.30 0.02 -0.04 1.64 1.96 2f33A9 LEU 218 HD13 -0.34 -0.03 -0.11 -0.04 0.93 0.40 2f33A9 LEU 218 HD23 0.02 -0.01 -0.07 -0.04 0.89 0.79 2f33A9 CYS 219 H 0.04 0.52 -0.30 -0.55 8.50 8.20 2f33A9 CYS 219 HA 0.02 0.32 0.24 -0.75 4.58 4.41 2f33A9 CYS 219 HB2 0.08 -0.12 -0.17 -0.04 2.97 2.72 2f33A9 CYS 219 HB3 0.11 -0.02 -0.20 -0.04 2.97 2.83 2f33A9 GLU 220 H 0.03 0.51 -0.34 -0.55 8.60 8.25 2f33A9 GLU 220 HA 0.02 -0.03 0.45 -0.75 4.29 3.98 2f33A9 GLU 220 HB2 0.03 0.17 0.21 -0.04 2.09 2.46 2f33A9 GLU 220 HB3 0.02 0.01 0.01 -0.04 1.99 1.98 2f33A9 GLU 220 HG2 0.02 -0.04 0.10 -0.04 2.34 2.38 2f33A9 GLU 220 HG3 0.02 -0.04 0.03 -0.04 2.34 2.32 2f33A9 LYS 221 H -0.00 0.30 -0.42 -0.55 8.42 7.75 2f33A9 LYS 221 HA -0.00 0.13 0.88 -0.75 4.32 4.58 2f33A9 LYS 221 HB2 -0.01 -0.03 0.15 -0.04 1.87 1.94 2f33A9 LYS 221 HB3 0.01 -0.04 -0.03 -0.04 1.79 1.68 2f33A9 LYS 221 HG2 -0.01 -0.11 -0.07 -0.04 1.46 1.22 2f33A9 LYS 221 HG3 -0.05 0.19 -0.12 -0.04 1.46 1.45 2f33A9 LYS 221 HD2 0.00 -0.05 -0.02 -0.04 1.69 1.58 2f33A9 LYS 221 HD3 -0.02 -0.11 -0.07 -0.04 1.68 1.45 2f33A9 LYS 221 HE2 -0.06 0.09 -0.05 -0.04 2.99 2.93 2f33A9 LYS 221 HE3 -0.04 -0.00 -0.07 -0.04 2.99 2.83 2f33A9 ASN 222 H -0.02 0.32 -0.28 -0.55 8.53 8.01 2f33A9 ASN 222 HA -0.02 0.03 0.45 -0.75 4.76 4.47 2f33A9 ASN 222 HB2 -0.08 0.08 -0.31 -0.04 2.88 2.53 2f33A9 ASN 222 HB3 -0.08 -0.33 0.24 -0.04 2.79 2.58 2f33A9 ASN 222 HD21 -0.02 -0.28 0.08 -0.04 7.03 6.77 2f33A9 ASN 222 HD22 -0.02 0.05 0.07 -0.04 7.74 7.79 2f33A9 LYS 223 H -0.00 0.22 0.10 -0.55 8.42 8.18 2f33A9 LYS 223 HA 0.03 0.29 0.45 -0.75 4.32 4.34 2f33A9 LYS 223 HB2 0.01 -0.03 0.06 -0.04 1.87 1.88 2f33A9 LYS 223 HB3 0.02 -0.08 0.13 -0.04 1.79 1.82 2f33A9 LYS 223 HG2 0.01 0.29 0.20 -0.04 1.46 1.92 2f33A9 LYS 223 HG3 0.01 -0.06 0.07 -0.04 1.46 1.45 2f33A9 LYS 223 HD2 0.03 -0.16 0.11 -0.04 1.69 1.63 2f33A9 LYS 223 HD3 0.03 0.12 0.02 -0.04 1.68 1.81 2f33A9 LYS 223 HE2 0.02 -0.06 -0.03 -0.04 2.99 2.88 2f33A9 LYS 223 HE3 0.02 0.05 0.01 -0.04 2.99 3.02 2f33A9 GLN 224 H -0.01 -0.01 -0.73 -0.55 8.47 7.18 2f33A9 GLN 224 HA 0.01 0.12 0.51 -0.75 4.36 4.25 2f33A9 GLN 224 HB2 -0.01 0.04 -0.05 -0.04 2.15 2.09 2f33A9 GLN 224 HB3 -0.00 0.02 0.02 -0.04 2.02 2.02 2f33A9 GLN 224 HG2 -0.00 0.02 -0.03 -0.04 2.40 2.34 2f33A9 GLN 224 HG3 -0.00 -0.12 -0.07 -0.04 2.39 2.16 2f33A9 GLN 224 HE21 -0.00 -0.03 -0.02 -0.04 6.97 6.88 2f33A9 GLN 224 HE22 -0.00 0.04 -0.00 -0.04 7.69 7.68 2f33A9 GLU 225 H -0.02 0.24 -0.20 -0.55 8.60 8.07 2f33A9 GLU 225 HA 0.01 0.18 0.96 -0.75 4.29 4.69 2f33A9 GLU 225 HB2 -0.11 0.16 -0.02 -0.04 2.09 2.08 2f33A9 GLU 225 HB3 -0.04 -0.02 -0.02 -0.04 1.99 1.86 2f33A9 GLU 225 HG2 -0.09 -0.01 0.15 -0.04 2.34 2.35 2f33A9 GLU 225 HG3 -0.12 0.08 -0.08 -0.04 2.34 2.17 2f33A9 LEU 226 H -0.09 0.54 0.14 -0.55 8.37 8.42 2f33A9 LEU 226 HA -0.21 -0.01 0.57 -0.75 4.35 3.95 2f33A9 LEU 226 HB2 -0.33 0.03 -0.12 -0.04 1.64 1.18 2f33A9 LEU 226 HB3 -0.08 0.05 -0.51 -0.04 1.64 1.06 2f33A9 LEU 226 HG -0.16 -0.03 -0.07 -0.04 1.64 1.34 2f33A9 LEU 226 HD13 0.32 -0.06 -0.39 -0.04 0.93 0.76 2f33A9 LEU 226 HD23 -0.99 -0.03 -0.06 -0.04 0.89 -0.23 2f33A9 ASP 227 H 0.64 0.18 0.12 -0.55 8.40 8.79 2f33A9 ASP 227 HA 0.12 0.24 0.55 -0.75 4.63 4.78 2f33A9 ASP 227 HB2 0.13 0.04 0.13 -0.04 2.71 2.97 2f33A9 ASP 227 HB3 0.03 -0.37 0.07 -0.04 2.70 2.39 2f33A9 ILE 228 H 0.06 0.32 0.23 -0.55 8.25 8.31 2f33A9 ILE 228 HA 0.07 0.14 0.61 -0.75 4.18 4.24 2f33A9 ILE 228 HB 0.04 0.08 0.08 -0.04 1.89 2.05 2f33A9 ILE 228 HG12 0.02 0.06 0.01 -0.04 1.49 1.54 2f33A9 ILE 228 HG13 0.01 -0.01 -0.16 -0.04 1.21 1.01 2f33A9 ILE 228 HG23 0.03 0.03 0.09 -0.04 0.93 1.05 2f33A9 ILE 228 HD13 0.02 -0.00 0.10 -0.04 0.88 0.95 2f33A9 ASN 229 H 0.01 0.01 -0.16 -0.55 8.53 7.84 2f33A9 ASN 229 HA -0.03 0.26 0.78 -0.75 4.76 5.02 2f33A9 ASN 229 HB2 -0.00 -0.02 0.09 -0.04 2.88 2.90 2f33A9 ASN 229 HB3 -0.03 0.06 -0.04 -0.04 2.79 2.74 2f33A9 ASN 229 HD21 -0.02 -0.00 0.01 -0.04 7.03 6.98 2f33A9 ASN 229 HD22 -0.01 0.03 0.02 -0.04 7.74 7.74 2f33A9 ASN 230 H -0.09 -0.04 -0.30 -0.55 8.53 7.56 2f33A9 ASN 230 HA -0.23 0.21 0.71 -0.75 4.76 4.70 2f33A9 ASN 230 HB2 -0.26 -0.02 0.07 -0.04 2.88 2.63 2f33A9 ASN 230 HB3 -0.91 -0.03 0.05 -0.04 2.79 1.87 2f33A9 ASN 230 HD21 0.01 -0.00 -0.00 -0.04 7.03 6.99 2f33A9 ASN 230 HD22 -0.01 0.08 -0.02 -0.04 7.74 7.76 2f33A9 ILE 231 H -0.11 0.11 -0.43 -0.55 8.25 7.27 2f33A9 ILE 231 HA 0.14 0.05 0.35 -0.75 4.18 3.96 2f33A9 ILE 231 HB 0.02 0.02 -0.02 -0.04 1.89 1.87 2f33A9 ILE 231 HG12 0.10 0.50 0.44 -0.04 1.49 2.48 2f33A9 ILE 231 HG13 0.02 0.25 0.03 -0.04 1.21 1.47 2f33A9 ILE 231 HG23 0.17 0.02 -0.21 -0.04 0.93 0.87 2f33A9 ILE 231 HD13 0.08 0.00 -0.01 -0.04 0.88 0.92 2f33A9 SER 232 H -0.08 0.24 -0.27 -0.55 8.46 7.80 2f33A9 SER 232 HA -0.07 0.05 0.29 -0.75 4.49 4.02 2f33A9 SER 232 HB2 -0.08 0.05 -0.00 -0.04 3.95 3.88 2f33A9 SER 232 HB3 -0.08 0.04 -0.06 -0.04 3.93 3.79 2f33A9 THR 233 H -0.22 0.07 -0.86 -0.55 8.28 6.71 2f33A9 THR 233 HA -0.18 0.03 0.53 -0.75 4.39 4.02 2f33A9 THR 233 HB -0.30 -0.01 0.23 -0.04 4.32 4.21 2f33A9 THR 233 HG23 -0.28 -0.01 -0.07 -0.04 1.22 0.82 2f33A9 TYR 234 H -0.44 0.64 0.20 -0.55 8.29 8.14 2f33A9 TYR 234 HA -0.69 -0.05 0.41 -0.75 4.56 3.47 2f33A9 TYR 234 HB2 0.04 0.06 0.13 -0.04 3.06 3.25 2f33A9 TYR 234 HB3 0.14 -0.03 0.02 -0.04 2.98 3.07 2f33A9 TYR 234 HD2 0.10 -0.05 -0.04 -0.04 7.15 7.12 2f33A9 TYR 234 HE2 0.21 0.07 0.00 -0.04 6.85 7.09 2f33A9 LYS 235 H -0.08 0.71 -0.31 -0.55 8.42 8.19 2f33A9 LYS 235 HA -0.11 -0.02 0.29 -0.75 4.32 3.72 2f33A9 LYS 235 HB2 -0.05 -0.10 -0.03 -0.04 1.87 1.65 2f33A9 LYS 235 HB3 -0.08 0.14 0.06 -0.04 1.79 1.87 2f33A9 LYS 235 HG2 -0.09 -0.15 0.03 -0.04 1.46 1.20 2f33A9 LYS 235 HG3 -0.07 0.13 0.16 -0.04 1.46 1.64 2f33A9 LYS 235 HD2 -0.06 -0.03 -0.06 -0.04 1.69 1.50 2f33A9 LYS 235 HD3 -0.08 0.09 -0.10 -0.04 1.68 1.56 2f33A9 LYS 235 HE2 -0.09 0.02 -0.63 -0.04 2.99 2.24 2f33A9 LYS 235 HE3 -0.08 -0.13 -0.05 -0.04 2.99 2.69 2f33A9 LYS 236 H -0.16 0.38 -0.24 -0.55 8.42 7.85 2f33A9 LYS 236 HA -0.11 0.03 0.41 -0.75 4.32 3.89 2f33A9 LYS 236 HB2 -0.10 -0.03 0.10 -0.04 1.87 1.79 2f33A9 LYS 236 HB3 -0.15 0.18 0.38 -0.04 1.79 2.16 2f33A9 LYS 236 HG2 -0.19 0.01 0.09 -0.04 1.46 1.34 2f33A9 LYS 236 HG3 -0.12 -0.04 -0.32 -0.04 1.46 0.95 2f33A9 LYS 236 HD2 -0.11 -0.02 0.04 -0.04 1.69 1.56 2f33A9 LYS 236 HD3 -0.08 -0.08 -0.02 -0.04 1.68 1.47 2f33A9 LYS 236 HE2 -0.07 0.01 -0.03 -0.04 2.99 2.86 2f33A9 LYS 236 HE3 -0.07 0.01 -0.03 -0.04 2.99 2.87 2f33A9 ASN 237 H -0.35 0.70 -0.01 -0.55 8.53 8.33 2f33A9 ASN 237 HA -0.19 0.14 0.47 -0.75 4.76 4.43 2f33A9 ASN 237 HB2 -0.47 0.07 0.17 -0.04 2.88 2.61 2f33A9 ASN 237 HB3 -1.28 -0.00 0.13 -0.04 2.79 1.60 2f33A9 ASN 237 HD21 0.26 -0.07 0.05 -0.04 7.03 7.24 2f33A9 ASN 237 HD22 0.21 0.08 -0.15 -0.04 7.74 7.84 2f33A9 ILE 238 H -0.52 0.49 -0.03 -0.55 8.25 7.65 2f33A9 ILE 238 HA -0.03 0.05 0.31 -0.75 4.18 3.75 2f33A9 ILE 238 HB -0.15 0.03 -0.03 -0.04 1.89 1.70 2f33A9 ILE 238 HG12 0.05 -0.07 0.05 -0.04 1.49 1.48 2f33A9 ILE 238 HG13 -0.51 0.44 0.22 -0.04 1.21 1.31 2f33A9 ILE 238 HG23 -0.08 -0.02 -0.06 -0.04 0.93 0.73 2f33A9 ILE 238 HD13 -0.34 -0.03 -0.07 -0.04 0.88 0.40 2f33A9 MET 239 H -0.16 0.27 -0.83 -0.55 8.47 7.21 2f33A9 MET 239 HA -0.06 -0.10 0.33 -0.75 4.52 3.93 2f33A9 MET 239 HB2 -0.11 0.40 0.23 -0.04 2.15 2.64 2f33A9 MET 239 HB3 -0.07 -0.04 -0.06 -0.04 2.03 1.82 2f33A9 MET 239 HG2 -0.09 0.07 0.09 -0.04 2.63 2.65 2f33A9 MET 239 HG3 -0.07 -0.04 0.04 -0.04 2.56 2.45 2f33A9 MET 239 HE3 -0.03 0.00 -0.18 -0.04 2.10 1.85 2f33A9 ALA 240 H -0.11 0.53 -0.29 -0.55 8.40 7.98 2f33A9 ALA 240 HA -0.07 -0.01 0.37 -0.75 4.34 3.88 2f33A9 ALA 240 HB3 -0.11 -0.06 0.18 -0.04 1.41 1.38 2f33A9 LEU 241 H -0.05 0.33 -0.85 -0.55 8.37 7.25 2f33A9 LEU 241 HA -0.10 0.16 0.74 -0.75 4.35 4.39 2f33A9 LEU 241 HB2 0.00 0.17 -0.01 -0.04 1.64 1.77 2f33A9 LEU 241 HB3 0.03 -0.11 0.04 -0.04 1.64 1.56 2f33A9 LEU 241 HG 0.39 -0.08 -0.05 -0.04 1.64 1.85 2f33A9 LEU 241 HD13 -0.03 0.06 -0.45 -0.04 0.93 0.46 2f33A9 LEU 241 HD23 0.04 -0.00 0.00 -0.04 0.89 0.89 2f33A9 SER 242 H -0.01 0.42 -0.20 -0.55 8.46 8.13 2f33A9 SER 242 HA 0.14 -0.16 0.43 -0.75 4.49 4.15 2f33A9 SER 242 HB2 0.03 -0.15 -0.08 -0.04 3.95 3.72 2f33A9 SER 242 HB3 0.01 0.38 0.05 -0.04 3.93 4.33 2f33A9 ASP 243 H 0.31 0.32 0.40 -0.55 8.40 8.88 2f33A9 ASP 243 HA 0.09 0.19 0.90 -0.75 4.63 5.06 2f33A9 ASP 243 HB2 -0.33 -0.04 0.19 -0.04 2.71 2.49 2f33A9 ASP 243 HB3 0.29 -0.02 0.24 -0.04 2.70 3.17 2f33A9 GLY 244 H 0.07 0.29 0.07 -0.55 8.43 8.32 2f33A9 GLY 244 HA2 0.04 0.06 0.30 -0.51 4.01 3.89 2f33A9 GLY 244 HA3 0.06 0.10 0.43 -0.51 4.01 4.09 2f33A9 GLY 245 H 0.04 0.18 -0.32 -0.55 8.43 7.79 2f33A9 GLY 245 HA2 -0.01 0.02 0.23 -0.51 4.01 3.74 2f33A9 GLY 245 HA3 -0.00 0.17 0.56 -0.51 4.01 4.23 2f33A9 LYS 246 H 0.09 0.43 -0.88 -0.55 8.42 7.50 2f33A9 LYS 246 HA -0.24 -0.14 0.92 -0.75 4.32 4.10 2f33A9 LYS 246 HB2 0.02 0.16 -0.00 -0.04 1.87 2.01 2f33A9 LYS 246 HB3 -1.54 0.01 -0.09 -0.04 1.79 0.13 2f33A9 LYS 246 HG2 -0.32 -0.13 0.02 -0.04 1.46 0.99 2f33A9 LYS 246 HG3 -0.16 0.07 -0.08 -0.04 1.46 1.24 2f33A9 LYS 246 HD2 -0.28 0.01 -0.07 -0.04 1.69 1.30 2f33A9 LYS 246 HD3 -0.95 0.06 -0.12 -0.04 1.68 0.63 2f33A9 LYS 246 HE2 -1.52 -0.02 -0.48 -0.04 2.99 0.93 2f33A9 LYS 246 HE3 -0.73 -0.04 -0.68 -0.04 2.99 1.49 2f33A9 LEU 247 H -0.16 0.15 0.40 -0.55 8.37 8.21 2f33A9 LEU 247 HA 0.23 -0.16 0.76 -0.75 4.35 4.43 2f33A9 LEU 247 HB2 -0.03 -0.11 -0.05 -0.04 1.64 1.41 2f33A9 LEU 247 HB3 -0.03 0.05 -0.06 -0.04 1.64 1.56 2f33A9 LEU 247 HG -0.03 -0.10 -0.33 -0.04 1.64 1.14 2f33A9 LEU 247 HD13 0.11 0.06 -0.23 -0.04 0.93 0.82 2f33A9 LEU 247 HD23 -0.03 -0.00 -0.25 -0.04 0.89 0.57 2f33A9 TYR 248 H 0.46 0.28 0.21 -0.55 8.29 8.68 2f33A9 TYR 248 HA 0.29 0.13 0.90 -0.75 4.56 5.12 2f33A9 TYR 248 HB2 0.12 0.17 0.27 -0.04 3.06 3.59 2f33A9 TYR 248 HB3 0.19 -0.04 0.15 -0.04 2.98 3.24 2f33A9 TYR 248 HD2 0.18 -0.12 -0.00 -0.04 7.15 7.17 2f33A9 TYR 248 HE2 -0.14 0.04 0.01 -0.04 6.85 6.72 2f33A9 ARG 249 H -0.16 0.32 0.18 -0.55 8.46 8.25 2f33A9 ARG 249 HA -0.22 0.04 0.22 -0.75 4.34 3.62 2f33A9 ARG 249 HB2 -0.73 0.07 0.03 -0.04 1.90 1.23 2f33A9 ARG 249 HB3 -4.17 0.10 0.07 -0.04 1.80 -2.24 2f33A9 ARG 249 HG2 -0.53 0.07 -0.09 -0.04 1.67 1.08 2f33A9 ARG 249 HG3 -0.10 -0.19 -0.03 -0.04 1.67 1.32 2f33A9 ARG 249 HD2 -0.04 -0.06 -0.07 -0.04 3.22 3.01 2f33A9 ARG 249 HD3 -0.00 0.08 -0.17 -0.04 3.22 3.08 2f33A9 THR 250 H 0.42 0.12 -0.65 -0.55 8.28 7.63 2f33A9 THR 250 HA 0.51 -0.03 0.31 -0.75 4.39 4.43 2f33A9 THR 250 HB 0.19 0.19 -0.13 -0.04 4.32 4.53 2f33A9 THR 250 HG23 0.39 -0.04 0.11 -0.04 1.22 1.64 2f33A9 ASP 251 H 0.06 0.38 -0.87 -0.55 8.40 7.42 2f33A9 ASP 251 HA -0.08 0.04 0.62 -0.75 4.63 4.45 2f33A9 ASP 251 HB2 0.03 -0.00 -0.12 -0.04 2.71 2.57 2f33A9 ASP 251 HB3 0.02 -0.04 -0.08 -0.04 2.70 2.56 2f33A9 LEU 252 H -0.05 0.45 0.01 -0.55 8.37 8.24 2f33A9 LEU 252 HA -0.08 0.13 0.63 -0.75 4.35 4.28 2f33A9 LEU 252 HB2 0.01 0.01 -0.10 -0.04 1.64 1.51 2f33A9 LEU 252 HB3 -0.05 -0.00 0.01 -0.04 1.64 1.56 2f33A9 LEU 252 HG -0.10 0.07 0.17 -0.04 1.64 1.74 2f33A9 LEU 252 HD13 -0.11 -0.01 -0.13 -0.04 0.93 0.64 2f33A9 LEU 252 HD23 -0.05 0.00 -0.29 -0.04 0.89 0.51 2f33A9 ALA 253 H -0.15 0.49 -0.06 -0.55 8.40 8.13 2f33A9 ALA 253 HA -0.56 0.00 0.27 -0.75 4.34 3.30 2f33A9 ALA 253 HB3 -1.41 0.05 -0.00 -0.04 1.41 0.01 2f33A9 LEU 254 H -0.20 0.29 -0.37 -0.55 8.37 7.54 2f33A9 LEU 254 HA 0.13 0.05 0.42 -0.75 4.35 4.20 2f33A9 LEU 254 HB2 0.08 -0.23 0.13 -0.04 1.64 1.58 2f33A9 LEU 254 HB3 0.29 0.01 0.13 -0.04 1.64 2.03 2f33A9 LEU 254 HG -0.05 0.20 0.20 -0.04 1.64 1.95 2f33A9 LEU 254 HD13 -0.63 -0.09 0.12 -0.04 0.93 0.29 2f33A9 LEU 254 HD23 -0.13 -0.07 -0.12 -0.04 0.89 0.53 2f33A9 ILE 255 H -0.11 0.16 -0.66 -0.55 8.25 7.10 2f33A9 ILE 255 HA -0.26 0.01 0.43 -0.75 4.18 3.61 2f33A9 ILE 255 HB -0.13 0.18 0.27 -0.04 1.89 2.17 2f33A9 ILE 255 HG12 0.19 -0.08 -0.01 -0.04 1.49 1.55 2f33A9 ILE 255 HG13 -0.34 -0.05 -0.01 -0.04 1.21 0.77 2f33A9 ILE 255 HG23 -0.49 -0.03 -0.26 -0.04 0.93 0.11 2f33A9 ILE 255 HD13 -0.07 0.02 0.10 -0.04 0.88 0.89 2f33A9 LEU 256 H 0.03 0.49 -0.04 -0.55 8.37 8.30 2f33A9 LEU 256 HA 0.42 0.39 0.75 -0.75 4.35 5.16 2f33A9 LEU 256 HB2 0.24 -0.09 0.09 -0.04 1.64 1.83 2f33A9 LEU 256 HB3 0.73 0.01 -0.08 -0.04 1.64 2.26 2f33A9 LEU 256 HG 0.06 0.28 -0.10 -0.04 1.64 1.84 2f33A9 LEU 256 HD13 0.23 -0.04 -0.13 -0.04 0.93 0.95 2f33A9 LEU 256 HD23 0.24 -0.03 -0.18 -0.04 0.89 0.88 2f33A9 SER 257 H 0.05 0.26 -0.20 -0.55 8.46 8.03 2f33A9 SER 257 HA 0.11 -0.22 0.75 -0.75 4.49 4.37 2f33A9 SER 257 HB2 0.03 0.36 0.09 -0.04 3.95 4.39 2f33A9 SER 257 HB3 0.10 -0.25 -0.05 -0.04 3.93 3.69 2f33A9 ALA 258 H 0.10 -0.10 0.18 -0.55 8.40 8.03 2f33A9 ALA 258 HA 0.05 0.26 0.41 -0.75 4.34 4.30 2f33A9 ALA 258 HB3 0.06 0.02 -0.01 -0.04 1.41 1.44 2f33A9 GLY 259 H 0.10 -0.41 -0.89 -0.55 8.43 6.68 2f33A9 GLY 259 HA2 0.14 0.04 0.19 -0.51 4.01 3.87 2f33A9 GLY 259 HA3 0.09 0.26 0.86 -0.51 4.01 4.71 2f33A9 ASP 260 H 0.11 -0.29 -0.11 -0.55 8.40 7.57 2f33A9 ASP 260 HA 0.08 0.32 0.77 -0.75 4.63 5.05 2f33A9 ASP 260 HB2 0.10 -0.17 0.04 -0.04 2.71 2.64 2f33A9 ASP 260 HB3 0.08 -0.19 0.19 -0.04 2.70 2.73 2f33A9 ASN 261 H 0.06 0.24 0.02 -0.55 8.53 8.30 2f33A9 ASN 261 HA -0.02 0.13 0.30 -0.75 4.76 4.41 2f33A9 ASN 261 HB2 -0.15 0.13 -0.44 -0.04 2.88 2.37 2f33A9 ASN 261 HB3 -0.22 0.00 -0.03 -0.04 2.79 2.50 2f33A9 ASN 261 HD21 -1.98 0.02 -0.09 -0.04 7.03 4.94 2f33A9 ASN 261 HD22 -1.44 -0.02 -0.01 -0.04 7.74 6.23