============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. TYR 22 0.840 8.616 34.081 19.022 -99.200 -91.000 PHE 24 1.000 8.860 34.818 24.848 -99.200 -91.000 TYR 30 0.840 10.486 43.135 16.846 -99.200 -91.000 TYR 45 0.840 26.352 31.821 25.732 -99.200 -91.000 TYR 49 0.840 13.238 32.424 28.348 -99.200 -91.000 TRP 51 1.040 12.591 40.966 30.998 -99.200 -91.000 TRP6 51 1.020 10.245 41.344 30.940 -99.200 -91.000 PHE 60 1.000 13.808 43.375 22.563 -99.200 -91.000 PHE 94 1.000 17.967 1.094 23.612 -99.200 -91.000 TYR 97 0.840 28.522 1.681 28.037 -99.200 -91.000 TYR 106 0.840 22.155 15.932 26.536 -99.200 -91.000 TYR 108 0.840 28.689 17.822 34.181 -99.200 -91.000 PHE 109 1.000 26.855 19.620 29.644 -99.200 -91.000 PHE 117 1.000 13.026 3.701 23.216 -99.200 -91.000 TRP 134 1.040 15.365 -2.370 25.568 -99.200 -91.000 TRP6 134 1.020 17.168 -2.420 27.102 -99.200 -91.000 TYR 138 0.840 16.398 3.453 29.513 -99.200 -91.000 TYR 143 0.840 16.134 9.224 33.063 -99.200 -91.000 TYR 162 0.840 7.191 15.308 27.664 -99.200 -91.000 PHE 166 1.000 8.508 21.640 28.719 -99.200 -91.000 PHE 205 1.000 8.122 22.377 18.579 -99.200 -91.000 PHE 210 1.000 10.041 29.674 21.172 -99.200 -91.000 PHE 217 1.000 26.937 16.188 24.352 -99.200 -91.000 PHE 225 1.000 31.141 16.332 27.365 -99.200 -91.000 TYR 234 0.840 25.765 14.082 37.531 -99.200 -91.000 PHE 235 1.000 23.844 5.078 35.776 -99.200 -91.000 PHE 238 1.000 22.903 3.700 40.466 -99.200 -91.000 TYR 241 0.840 17.923 2.350 46.693 -99.200 -91.000 TYR 245 0.840 22.409 3.068 52.939 -99.200 -91.000 HIS 250 0.900 25.657 3.264 44.704 -99.200 -91.000 TYR 272 0.840 25.176 -2.538 40.026 -99.200 -91.000 TYR 275 0.840 27.755 3.200 39.119 -99.200 -91.000 TYR 282 0.840 34.802 -9.120 36.499 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2yv5A1 MET 1 HA -0.00 0.00 0.22 -0.75 4.52 3.98 2yv5A1 MET 1 HB2 -0.01 -0.16 0.13 -0.04 2.15 2.07 2yv5A1 MET 1 HB3 -0.01 0.02 -0.03 -0.04 2.03 1.98 2yv5A1 MET 1 HG2 -0.00 0.02 0.04 -0.04 2.63 2.65 2yv5A1 MET 1 HG3 -0.00 0.01 0.05 -0.04 2.56 2.57 2yv5A1 MET 1 HE3 -0.01 -0.01 0.02 -0.04 2.10 2.07 2yv5A1 GLY 2 H -0.01 0.05 0.19 -0.55 8.43 8.11 2yv5A1 GLY 2 HA2 -0.01 0.18 0.82 -0.51 4.01 4.49 2yv5A1 GLY 2 HA3 -0.01 -0.04 0.32 -0.51 4.01 3.77 2yv5A1 LYS 3 H -0.01 -0.06 0.13 -0.55 8.42 7.93 2yv5A1 LYS 3 HA -0.02 0.06 0.67 -0.75 4.32 4.28 2yv5A1 LYS 3 HB2 -0.01 0.09 0.08 -0.04 1.87 1.99 2yv5A1 LYS 3 HB3 -0.02 0.06 0.05 -0.04 1.79 1.84 2yv5A1 LYS 3 HG2 -0.02 0.01 -0.02 -0.04 1.46 1.39 2yv5A1 LYS 3 HG3 -0.02 -0.11 0.05 -0.04 1.46 1.34 2yv5A1 LYS 3 HD2 -0.02 0.03 0.02 -0.04 1.69 1.68 2yv5A1 LYS 3 HD3 -0.03 0.02 0.02 -0.04 1.68 1.65 2yv5A1 LYS 3 HE2 -0.03 -0.01 -0.00 -0.04 2.99 2.92 2yv5A1 LYS 3 HE3 -0.02 -0.02 0.01 -0.04 2.99 2.92 2yv5A1 LYS 4 H -0.02 0.06 0.13 -0.55 8.42 8.04 2yv5A1 LYS 4 HA -0.01 0.16 0.48 -0.75 4.32 4.19 2yv5A1 LYS 4 HB2 -0.01 -0.04 0.01 -0.04 1.87 1.79 2yv5A1 LYS 4 HB3 -0.02 -0.01 -0.04 -0.04 1.79 1.67 2yv5A1 LYS 4 HG2 -0.02 0.05 -0.06 -0.04 1.46 1.38 2yv5A1 LYS 4 HG3 -0.02 0.03 -0.03 -0.04 1.46 1.40 2yv5A1 LYS 4 HD2 -0.02 -0.02 -0.01 -0.04 1.69 1.61 2yv5A1 LYS 4 HD3 -0.03 -0.02 -0.04 -0.04 1.68 1.55 2yv5A1 LYS 4 HE2 -0.03 -0.00 -0.03 -0.04 2.99 2.89 2yv5A1 LYS 4 HE3 -0.02 0.06 -0.03 -0.04 2.99 2.96 2yv5A1 GLU 5 H -0.01 0.15 0.05 -0.55 8.60 8.25 2yv5A1 GLU 5 HA 0.03 0.14 0.58 -0.75 4.29 4.29 2yv5A1 GLU 5 HB2 -0.00 -0.04 0.23 -0.04 2.09 2.24 2yv5A1 GLU 5 HB3 0.02 -0.00 0.16 -0.04 1.99 2.13 2yv5A1 GLU 5 HG2 0.01 0.06 -0.02 -0.04 2.34 2.35 2yv5A1 GLU 5 HG3 0.00 0.00 0.05 -0.04 2.34 2.36 2yv5A1 LEU 6 H 0.06 0.29 -0.12 -0.55 8.37 8.06 2yv5A1 LEU 6 HA 0.13 0.22 0.46 -0.75 4.35 4.41 2yv5A1 LEU 6 HB2 0.09 0.01 0.07 -0.04 1.64 1.77 2yv5A1 LEU 6 HB3 0.39 -0.03 -0.04 -0.04 1.64 1.91 2yv5A1 LEU 6 HG 0.02 0.03 -0.12 -0.04 1.64 1.53 2yv5A1 LEU 6 HD13 -0.05 -0.00 -0.06 -0.04 0.93 0.78 2yv5A1 LEU 6 HD23 0.06 -0.01 -0.23 -0.04 0.89 0.67 2yv5A1 LYS 7 H 0.26 0.62 0.49 -0.55 8.42 9.23 2yv5A1 LYS 7 HA 0.28 0.15 0.88 -0.75 4.32 4.89 2yv5A1 LYS 7 HB2 0.19 -0.01 0.05 -0.04 1.87 2.05 2yv5A1 LYS 7 HB3 0.07 -0.06 0.08 -0.04 1.79 1.84 2yv5A1 LYS 7 HG2 0.12 0.05 -0.04 -0.04 1.46 1.55 2yv5A1 LYS 7 HG3 0.11 0.13 -0.34 -0.04 1.46 1.32 2yv5A1 LYS 7 HD2 0.04 -0.06 -0.01 -0.04 1.69 1.62 2yv5A1 LYS 7 HD3 0.04 -0.06 -0.00 -0.04 1.68 1.62 2yv5A1 LYS 7 HE2 0.04 0.04 -0.03 -0.04 2.99 3.00 2yv5A1 LYS 7 HE3 0.03 -0.02 -0.01 -0.04 2.99 2.94 2yv5A1 ARG 8 H -0.25 0.12 0.21 -0.55 8.46 7.99 2yv5A1 ARG 8 HA -0.89 0.34 1.03 -0.75 4.34 4.07 2yv5A1 ARG 8 HB2 -1.79 -0.03 0.10 -0.04 1.90 0.13 2yv5A1 ARG 8 HB3 -0.27 -0.06 0.11 -0.04 1.80 1.54 2yv5A1 ARG 8 HG2 -0.13 0.09 0.03 -0.04 1.67 1.63 2yv5A1 ARG 8 HG3 -1.35 0.02 0.03 -0.04 1.67 0.33 2yv5A1 ARG 8 HD2 -0.20 -0.03 -0.01 -0.04 3.22 2.94 2yv5A1 ARG 8 HD3 -0.19 -0.01 -0.02 -0.04 3.22 2.96 2yv5A1 GLY 9 H -0.31 0.74 0.42 -0.55 8.43 8.74 2yv5A1 GLY 9 HA2 -0.66 0.12 0.95 -0.51 4.01 3.91 2yv5A1 GLY 9 HA3 -0.59 -0.04 0.19 -0.51 4.01 3.06 2yv5A1 LEU 10 H -0.56 0.51 0.29 -0.55 8.37 8.05 2yv5A1 LEU 10 HA -0.41 0.26 1.01 -0.75 4.35 4.46 2yv5A1 LEU 10 HB2 -0.46 0.03 -0.11 -0.04 1.64 1.06 2yv5A1 LEU 10 HB3 -0.69 -0.05 0.07 -0.04 1.64 0.93 2yv5A1 LEU 10 HG -0.54 0.01 -0.48 -0.04 1.64 0.59 2yv5A1 LEU 10 HD13 -0.85 0.04 -0.19 -0.04 0.93 -0.10 2yv5A1 LEU 10 HD23 -1.14 0.00 -0.14 -0.04 0.89 -0.43 2yv5A1 VAL 11 H -0.25 0.75 0.21 -0.55 8.24 8.40 2yv5A1 VAL 11 HA -0.16 0.17 0.69 -0.75 4.13 4.08 2yv5A1 VAL 11 HB -0.11 -0.06 0.29 -0.04 2.12 2.20 2yv5A1 VAL 11 HG13 -0.06 -0.03 -0.23 -0.04 0.97 0.62 2yv5A1 VAL 11 HG23 -0.08 0.03 -0.08 -0.04 0.95 0.78 2yv5A1 VAL 12 H -0.12 0.50 0.42 -0.55 8.24 8.49 2yv5A1 VAL 12 HA -0.15 0.15 1.04 -0.75 4.13 4.42 2yv5A1 VAL 12 HB -0.05 0.21 0.20 -0.04 2.12 2.44 2yv5A1 VAL 12 HG13 -0.31 0.02 -0.13 -0.04 0.97 0.51 2yv5A1 VAL 12 HG23 -0.01 -0.01 -0.11 -0.04 0.95 0.78 2yv5A1 ASP 13 H -0.06 0.32 0.25 -0.55 8.40 8.37 2yv5A1 ASP 13 HA -0.02 0.31 0.97 -0.75 4.63 5.14 2yv5A1 ASP 13 HB2 -0.02 -0.14 0.14 -0.04 2.71 2.65 2yv5A1 ASP 13 HB3 -0.01 0.03 -0.02 -0.04 2.70 2.66 2yv5A1 ARG 14 H -0.01 0.49 0.15 -0.55 8.46 8.54 2yv5A1 ARG 14 HA -0.01 0.38 0.84 -0.75 4.34 4.80 2yv5A1 ARG 14 HB2 -0.00 -0.04 -0.26 -0.04 1.90 1.56 2yv5A1 ARG 14 HB3 0.02 -0.10 0.20 -0.04 1.80 1.88 2yv5A1 ARG 14 HG2 0.04 -0.05 0.04 -0.04 1.67 1.65 2yv5A1 ARG 14 HG3 0.01 -0.00 -0.16 -0.04 1.67 1.48 2yv5A1 ARG 14 HD2 -0.02 0.22 0.11 -0.04 3.22 3.49 2yv5A1 ARG 14 HD3 -0.03 -0.12 -0.18 -0.04 3.22 2.85 2yv5A1 GLU 15 H -0.00 0.54 0.11 -0.55 8.60 8.70 2yv5A1 GLU 15 HA 0.01 0.06 0.75 -0.75 4.29 4.35 2yv5A1 GLU 15 HB2 -0.00 0.01 -0.09 -0.04 2.09 1.96 2yv5A1 GLU 15 HB3 -0.00 -0.06 0.04 -0.04 1.99 1.92 2yv5A1 GLU 15 HG2 0.00 -0.06 -0.07 -0.04 2.34 2.17 2yv5A1 GLU 15 HG3 0.00 0.01 -0.06 -0.04 2.34 2.25 2yv5A1 ALA 16 H 0.01 0.14 0.06 -0.55 8.40 8.06 2yv5A1 ALA 16 HA 0.01 0.05 0.37 -0.75 4.34 4.02 2yv5A1 ALA 16 HB3 0.00 -0.01 0.05 -0.04 1.41 1.41 2yv5A1 GLN 17 H 0.00 -0.01 0.26 -0.55 8.47 8.18 2yv5A1 GLN 17 HA -0.00 0.20 0.92 -0.75 4.36 4.73 2yv5A1 GLN 17 HB2 0.00 -0.03 0.14 -0.04 2.15 2.23 2yv5A1 GLN 17 HB3 0.00 0.02 0.14 -0.04 2.02 2.13 2yv5A1 GLN 17 HG2 0.00 0.06 -0.07 -0.04 2.40 2.35 2yv5A1 GLN 17 HG3 0.00 -0.10 -0.02 -0.04 2.39 2.22 2yv5A1 GLN 17 HE21 0.00 -0.01 0.00 -0.04 6.97 6.92 2yv5A1 GLN 17 HE22 0.00 0.00 -0.02 -0.04 7.69 7.64 2yv5A1 MET 18 H -0.00 0.31 0.30 -0.55 8.47 8.52 2yv5A1 MET 18 HA 0.00 0.21 0.58 -0.75 4.52 4.56 2yv5A1 MET 18 HB2 -0.00 -0.07 0.02 -0.04 2.15 2.05 2yv5A1 MET 18 HB3 0.00 0.01 0.06 -0.04 2.03 2.05 2yv5A1 MET 18 HG2 0.00 0.04 -0.02 -0.04 2.63 2.61 2yv5A1 MET 18 HG3 0.00 -0.12 0.13 -0.04 2.56 2.53 2yv5A1 MET 18 HE3 -0.00 0.00 -0.03 -0.04 2.10 2.03 2yv5A1 ILE 19 H 0.01 0.24 0.26 -0.55 8.25 8.21 2yv5A1 ILE 19 HA -0.01 0.29 1.00 -0.75 4.18 4.71 2yv5A1 ILE 19 HB 0.01 0.04 0.17 -0.04 1.89 2.07 2yv5A1 ILE 19 HG12 -0.02 0.05 -0.13 -0.04 1.49 1.35 2yv5A1 ILE 19 HG13 -0.01 0.04 -0.30 -0.04 1.21 0.90 2yv5A1 ILE 19 HG23 -0.02 -0.02 -0.16 -0.04 0.93 0.69 2yv5A1 ILE 19 HD13 -0.01 -0.00 -0.09 -0.04 0.88 0.75 2yv5A1 GLY 20 H -0.03 0.75 0.38 -0.55 8.43 8.99 2yv5A1 GLY 20 HA2 -0.01 0.30 1.05 -0.51 4.01 4.84 2yv5A1 GLY 20 HA3 -0.02 -0.02 0.37 -0.51 4.01 3.82 2yv5A1 VAL 21 H -0.03 0.77 0.28 -0.55 8.24 8.71 2yv5A1 VAL 21 HA -0.18 0.26 1.04 -0.75 4.13 4.49 2yv5A1 VAL 21 HB -0.31 -0.03 -0.07 -0.04 2.12 1.67 2yv5A1 VAL 21 HG13 -0.78 -0.01 -0.42 -0.04 0.97 -0.27 2yv5A1 VAL 21 HG23 -0.09 0.01 -0.32 -0.04 0.95 0.51 2yv5A1 TYR 22 H -0.18 0.70 0.31 -0.55 8.29 8.57 2yv5A1 TYR 22 HA -0.14 0.19 0.54 -0.75 4.56 4.39 2yv5A1 TYR 22 HB2 -0.19 0.01 0.04 -0.04 3.06 2.88 2yv5A1 TYR 22 HB3 -0.49 -0.05 0.18 -0.04 2.98 2.58 2yv5A1 TYR 22 HD2 -0.35 -0.07 -0.23 -0.04 7.15 6.45 2yv5A1 TYR 22 HE2 0.18 0.04 -0.08 -0.04 6.85 6.95 2yv5A1 LEU 23 H -0.32 0.80 0.25 -0.55 8.37 8.55 2yv5A1 LEU 23 HA -0.47 0.13 0.69 -0.75 4.35 3.95 2yv5A1 LEU 23 HB2 -0.33 0.07 -0.01 -0.04 1.64 1.33 2yv5A1 LEU 23 HB3 -0.08 -0.11 0.15 -0.04 1.64 1.55 2yv5A1 LEU 23 HG -0.12 -0.22 -0.09 -0.04 1.64 1.17 2yv5A1 LEU 23 HD13 -0.24 0.04 -0.18 -0.04 0.93 0.51 2yv5A1 LEU 23 HD23 -0.15 0.01 -0.07 -0.04 0.89 0.64 2yv5A1 PHE 24 H -0.28 0.48 0.31 -0.55 8.34 8.29 2yv5A1 PHE 24 HA 0.07 0.09 0.29 -0.75 4.62 4.31 2yv5A1 PHE 24 HB2 -0.04 -0.00 0.13 -0.04 3.15 3.20 2yv5A1 PHE 24 HB3 0.05 0.03 0.02 -0.04 3.06 3.12 2yv5A1 PHE 24 HD2 0.11 0.01 -0.14 -0.04 7.28 7.21 2yv5A1 PHE 24 HE2 0.13 0.06 -0.17 -0.04 7.38 7.36 2yv5A1 PHE 24 HZ -0.04 0.03 -0.13 -0.04 7.32 7.15 2yv5A1 GLU 25 H 0.03 0.08 -0.15 -0.55 8.60 8.01 2yv5A1 GLU 25 HA 0.06 0.09 0.34 -0.75 4.29 4.03 2yv5A1 GLU 25 HB2 0.04 -0.02 0.11 -0.04 2.09 2.19 2yv5A1 GLU 25 HB3 0.01 -0.06 0.04 -0.04 1.99 1.94 2yv5A1 GLU 25 HG2 0.03 0.03 -0.22 -0.04 2.34 2.14 2yv5A1 GLU 25 HG3 0.04 0.02 0.05 -0.04 2.34 2.41 2yv5A1 ASP 26 H -0.06 0.07 -0.24 -0.55 8.40 7.63 2yv5A1 ASP 26 HA -0.00 0.31 1.05 -0.75 4.63 5.23 2yv5A1 ASP 26 HB2 0.00 0.02 0.12 -0.04 2.71 2.81 2yv5A1 ASP 26 HB3 0.02 0.00 -0.12 -0.04 2.70 2.57 2yv5A1 GLY 27 H -0.23 0.47 0.04 -0.55 8.43 8.16 2yv5A1 GLY 27 HA2 -0.85 0.02 0.26 -0.51 4.01 2.94 2yv5A1 GLY 27 HA3 -0.12 0.06 0.39 -0.51 4.01 3.83 2yv5A1 LYS 28 H -0.18 -0.03 -0.29 -0.55 8.42 7.36 2yv5A1 LYS 28 HA -0.15 0.19 0.76 -0.75 4.32 4.37 2yv5A1 LYS 28 HB2 -0.01 -0.11 -0.03 -0.04 1.87 1.69 2yv5A1 LYS 28 HB3 -0.38 0.09 -0.05 -0.04 1.79 1.41 2yv5A1 LYS 28 HG2 -0.11 0.02 -0.00 -0.04 1.46 1.32 2yv5A1 LYS 28 HG3 -0.07 0.12 -0.13 -0.04 1.46 1.34 2yv5A1 LYS 28 HD2 0.00 -0.06 -0.03 -0.04 1.69 1.55 2yv5A1 LYS 28 HD3 -0.18 0.06 0.00 -0.04 1.68 1.52 2yv5A1 LYS 28 HE2 -0.06 -0.00 0.01 -0.04 2.99 2.90 2yv5A1 LYS 28 HE3 -0.03 0.04 -0.00 -0.04 2.99 2.96 2yv5A1 THR 29 H -0.16 0.19 0.17 -0.55 8.28 7.94 2yv5A1 THR 29 HA -0.04 0.29 0.96 -0.75 4.39 4.84 2yv5A1 THR 29 HB -0.05 -0.01 0.10 -0.04 4.32 4.32 2yv5A1 THR 29 HG23 -0.01 -0.01 -0.24 -0.04 1.22 0.91 2yv5A1 TYR 30 H 0.11 0.75 0.32 -0.55 8.29 8.92 2yv5A1 TYR 30 HA -0.02 0.23 0.82 -0.75 4.56 4.83 2yv5A1 TYR 30 HB2 -0.08 -0.03 -0.12 -0.04 3.06 2.79 2yv5A1 TYR 30 HB3 0.06 -0.04 -0.28 -0.04 2.98 2.68 2yv5A1 TYR 30 HD2 -0.07 0.03 -0.31 -0.04 7.15 6.76 2yv5A1 TYR 30 HE2 -0.06 -0.04 -0.16 -0.04 6.85 6.55 2yv5A1 ARG 31 H 0.11 0.68 0.32 -0.55 8.46 9.02 2yv5A1 ARG 31 HA 0.04 0.13 0.79 -0.75 4.34 4.55 2yv5A1 ARG 31 HB2 0.03 -0.02 0.19 -0.04 1.90 2.05 2yv5A1 ARG 31 HB3 0.06 0.03 0.32 -0.04 1.80 2.17 2yv5A1 ARG 31 HG2 0.05 -0.04 -0.17 -0.04 1.67 1.46 2yv5A1 ARG 31 HG3 0.03 0.10 0.08 -0.04 1.67 1.84 2yv5A1 ARG 31 HD2 0.01 -0.03 0.03 -0.04 3.22 3.19 2yv5A1 ARG 31 HD3 0.02 -0.02 0.03 -0.04 3.22 3.21 2yv5A1 GLY 32 H 0.05 0.80 0.41 -0.55 8.43 9.15 2yv5A1 GLY 32 HA2 0.20 0.23 0.72 -0.51 4.01 4.65 2yv5A1 GLY 32 HA3 0.09 -0.06 0.23 -0.51 4.01 3.76 2yv5A1 ILE 33 H 0.10 0.52 0.36 -0.55 8.25 8.67 2yv5A1 ILE 33 HA 0.03 0.25 1.00 -0.75 4.18 4.71 2yv5A1 ILE 33 HB 0.01 -0.10 0.10 -0.04 1.89 1.86 2yv5A1 ILE 33 HG12 0.06 0.02 -0.34 -0.04 1.49 1.18 2yv5A1 ILE 33 HG13 0.03 -0.06 -0.11 -0.04 1.21 1.03 2yv5A1 ILE 33 HG23 0.01 0.05 -0.07 -0.04 0.93 0.88 2yv5A1 ILE 33 HD13 0.03 0.08 -0.14 -0.04 0.88 0.81 2yv5A1 PRO 34 HA 0.02 0.05 0.52 -0.51 4.44 4.52 2yv5A1 PRO 34 HB2 0.00 0.05 0.09 -0.04 2.28 2.38 2yv5A1 PRO 34 HB3 0.01 0.08 0.09 -0.04 2.02 2.16 2yv5A1 PRO 34 HG2 -0.00 0.08 0.08 -0.04 2.03 2.15 2yv5A1 PRO 34 HG3 0.01 -0.03 0.00 -0.04 2.03 1.98 2yv5A1 PRO 34 HD2 0.01 0.10 0.23 -0.04 3.68 3.98 2yv5A1 PRO 34 HD3 0.02 0.21 0.14 -0.04 3.65 3.98 2yv5A1 ARG 35 H 0.00 0.51 0.27 -0.55 8.46 8.69 2yv5A1 ARG 35 HA -0.01 0.11 0.93 -0.75 4.34 4.62 2yv5A1 ARG 35 HB2 -0.03 0.13 0.01 -0.04 1.90 1.97 2yv5A1 ARG 35 HB3 -0.02 -0.07 0.10 -0.04 1.80 1.77 2yv5A1 ARG 35 HG2 -0.02 -0.01 0.02 -0.04 1.67 1.62 2yv5A1 ARG 35 HG3 -0.04 0.01 -0.10 -0.04 1.67 1.51 2yv5A1 ARG 35 HD2 -0.05 -0.02 -0.08 -0.04 3.22 3.04 2yv5A1 ARG 35 HD3 -0.03 -0.02 -0.04 -0.04 3.22 3.09 2yv5A1 GLY 36 H -0.00 0.21 0.04 -0.55 8.43 8.13 2yv5A1 GLY 36 HA2 -0.00 -0.01 0.35 -0.51 4.01 3.83 2yv5A1 GLY 36 HA3 0.00 0.21 0.93 -0.51 4.01 4.64 2yv5A1 LYS 37 H 0.00 0.12 0.14 -0.55 8.42 8.13 2yv5A1 LYS 37 HA 0.00 0.26 0.55 -0.75 4.32 4.38 2yv5A1 LYS 37 HB2 0.00 -0.03 0.10 -0.04 1.87 1.90 2yv5A1 LYS 37 HB3 0.00 0.06 -0.04 -0.04 1.79 1.76 2yv5A1 LYS 37 HG2 0.00 0.07 -0.06 -0.04 1.46 1.43 2yv5A1 LYS 37 HG3 -0.00 -0.06 -0.03 -0.04 1.46 1.33 2yv5A1 LYS 37 HD2 0.00 -0.01 -0.00 -0.04 1.69 1.64 2yv5A1 LYS 37 HD3 0.00 0.02 -0.02 -0.04 1.68 1.64 2yv5A1 LYS 37 HE2 -0.00 0.02 -0.03 -0.04 2.99 2.94 2yv5A1 LYS 37 HE3 -0.00 -0.01 -0.02 -0.04 2.99 2.92 2yv5A1 VAL 38 H 0.00 0.10 0.04 -0.55 8.24 7.83 2yv5A1 VAL 38 HA 0.01 0.11 0.40 -0.75 4.13 3.89 2yv5A1 VAL 38 HB 0.01 0.01 0.04 -0.04 2.12 2.14 2yv5A1 VAL 38 HG13 0.01 0.01 -0.08 -0.04 0.97 0.87 2yv5A1 VAL 38 HG23 0.01 0.00 0.05 -0.04 0.95 0.96 2yv5A1 LEU 39 H 0.01 -0.04 -0.59 -0.55 8.37 7.19 2yv5A1 LEU 39 HA 0.00 0.03 0.23 -0.75 4.35 3.86 2yv5A1 LEU 39 HB2 0.01 -0.11 -0.24 -0.04 1.64 1.26 2yv5A1 LEU 39 HB3 0.00 0.05 0.01 -0.04 1.64 1.66 2yv5A1 LEU 39 HG 0.02 -0.05 -0.13 -0.04 1.64 1.44 2yv5A1 LEU 39 HD13 0.02 -0.00 -0.16 -0.04 0.93 0.75 2yv5A1 LEU 39 HD23 0.01 -0.01 -0.15 -0.04 0.89 0.71 2yv5A1 LYS 40 H -0.00 0.47 -0.06 -0.55 8.42 8.28 2yv5A1 LYS 40 HA -0.02 0.13 0.41 -0.75 4.32 4.09 2yv5A1 LYS 40 HB2 -0.00 0.10 -0.35 -0.04 1.87 1.58 2yv5A1 LYS 40 HB3 -0.00 -0.02 0.05 -0.04 1.79 1.77 2yv5A1 LYS 40 HG2 -0.01 -0.04 0.14 -0.04 1.46 1.51 2yv5A1 LYS 40 HG3 -0.01 0.07 0.16 -0.04 1.46 1.65 2yv5A1 LYS 40 HD2 -0.00 0.01 0.01 -0.04 1.69 1.67 2yv5A1 LYS 40 HD3 -0.00 -0.05 0.04 -0.04 1.68 1.63 2yv5A1 LYS 40 HE2 -0.00 -0.01 0.05 -0.04 2.99 2.98 2yv5A1 LYS 40 HE3 -0.00 0.04 0.05 -0.04 2.99 3.04 2yv5A1 LYS 41 H -0.01 -0.50 0.41 -0.55 8.42 7.76 2yv5A1 LYS 41 HA -0.00 0.07 0.39 -0.75 4.32 4.03 2yv5A1 LYS 41 HB2 0.01 0.05 0.03 -0.04 1.87 1.92 2yv5A1 LYS 41 HB3 0.01 -0.04 0.17 -0.04 1.79 1.88 2yv5A1 LYS 41 HG2 0.00 0.59 -0.10 -0.04 1.46 1.91 2yv5A1 LYS 41 HG3 0.00 0.03 -0.28 -0.04 1.46 1.17 2yv5A1 LYS 41 HD2 0.01 -0.06 -0.01 -0.04 1.69 1.59 2yv5A1 LYS 41 HD3 0.01 -0.04 0.05 -0.04 1.68 1.66 2yv5A1 LYS 41 HE2 0.00 0.05 0.04 -0.04 2.99 3.05 2yv5A1 LYS 41 HE3 0.00 0.02 -0.03 -0.04 2.99 2.94 2yv5A1 THR 42 H -0.01 -0.33 0.24 -0.55 8.28 7.63 2yv5A1 THR 42 HA -0.00 0.14 0.65 -0.75 4.39 4.42 2yv5A1 THR 42 HB -0.01 -0.13 0.07 -0.04 4.32 4.20 2yv5A1 THR 42 HG23 -0.00 0.01 -0.30 -0.04 1.22 0.89 2yv5A1 LYS 43 H -0.04 0.17 -0.01 -0.55 8.42 7.98 2yv5A1 LYS 43 HA -0.19 0.12 0.58 -0.75 4.32 4.07 2yv5A1 LYS 43 HB2 -0.15 -0.01 0.01 -0.04 1.87 1.68 2yv5A1 LYS 43 HB3 -0.52 0.05 -0.08 -0.04 1.79 1.20 2yv5A1 LYS 43 HG2 -0.06 0.01 -0.24 -0.04 1.46 1.13 2yv5A1 LYS 43 HG3 -0.00 0.03 -0.13 -0.04 1.46 1.32 2yv5A1 LYS 43 HD2 0.14 -0.00 -0.07 -0.04 1.69 1.72 2yv5A1 LYS 43 HD3 0.04 0.02 -0.08 -0.04 1.68 1.62 2yv5A1 LYS 43 HE2 0.02 0.01 -0.09 -0.04 2.99 2.89 2yv5A1 LYS 43 HE3 0.04 0.01 -0.06 -0.04 2.99 2.94 2yv5A1 ILE 44 H -0.30 0.24 0.09 -0.55 8.25 7.73 2yv5A1 ILE 44 HA -0.18 0.14 0.82 -0.75 4.18 4.20 2yv5A1 ILE 44 HB -0.11 0.02 0.04 -0.04 1.89 1.81 2yv5A1 ILE 44 HG12 -0.04 0.01 -0.24 -0.04 1.49 1.18 2yv5A1 ILE 44 HG13 -0.08 0.07 -0.40 -0.04 1.21 0.75 2yv5A1 ILE 44 HG23 -0.04 -0.01 -0.18 -0.04 0.93 0.65 2yv5A1 ILE 44 HD13 -0.01 -0.00 -0.14 -0.04 0.88 0.69 2yv5A1 TYR 45 H -0.00 0.16 0.06 -0.55 8.29 7.96 2yv5A1 TYR 45 HA -0.02 0.23 0.93 -0.75 4.56 4.94 2yv5A1 TYR 45 HB2 -0.02 -0.00 -0.11 -0.04 3.06 2.88 2yv5A1 TYR 45 HB3 -0.02 0.10 -0.01 -0.04 2.98 3.00 2yv5A1 TYR 45 HD2 0.00 0.01 -0.13 -0.04 7.15 6.99 2yv5A1 TYR 45 HE2 0.02 0.01 -0.13 -0.04 6.85 6.71 2yv5A1 ALA 46 H 0.10 0.19 0.13 -0.55 8.40 8.27 2yv5A1 ALA 46 HA -0.05 0.07 0.29 -0.75 4.34 3.90 2yv5A1 ALA 46 HB3 -0.02 0.03 -0.04 -0.04 1.41 1.33 2yv5A1 GLY 47 H -0.15 0.71 0.28 -0.55 8.43 8.72 2yv5A1 GLY 47 HA2 -0.20 0.02 0.32 -0.51 4.01 3.63 2yv5A1 GLY 47 HA3 -0.07 0.19 0.67 -0.51 4.01 4.29 2yv5A1 ASP 48 H -0.05 0.42 -0.27 -0.55 8.40 7.96 2yv5A1 ASP 48 HA 0.05 0.07 0.54 -0.75 4.63 4.54 2yv5A1 ASP 48 HB2 -0.00 0.16 0.15 -0.04 2.71 2.98 2yv5A1 ASP 48 HB3 0.03 0.03 -0.08 -0.04 2.70 2.64 2yv5A1 TYR 49 H 0.25 0.17 0.22 -0.55 8.29 8.38 2yv5A1 TYR 49 HA -0.03 0.23 0.93 -0.75 4.56 4.93 2yv5A1 TYR 49 HB2 0.06 -0.07 0.18 -0.04 3.06 3.18 2yv5A1 TYR 49 HB3 0.01 0.02 0.07 -0.04 2.98 3.03 2yv5A1 TYR 49 HD2 0.11 -0.03 0.04 -0.04 7.15 7.23 2yv5A1 TYR 49 HE2 0.05 0.02 0.01 -0.04 6.85 6.89 2yv5A1 VAL 50 H -0.05 0.62 0.32 -0.55 8.24 8.59 2yv5A1 VAL 50 HA 0.15 0.22 1.09 -0.75 4.13 4.83 2yv5A1 VAL 50 HB 0.18 0.05 0.04 -0.04 2.12 2.35 2yv5A1 VAL 50 HG13 0.04 0.00 -0.31 -0.04 0.97 0.66 2yv5A1 VAL 50 HG23 -0.08 -0.01 -0.28 -0.04 0.95 0.53 2yv5A1 TRP 51 H 0.33 0.54 0.34 -0.55 7.97 8.63 2yv5A1 TRP 51 HA 0.21 0.38 0.90 -0.75 4.62 5.36 2yv5A1 TRP 51 HB2 0.07 -0.07 0.06 -0.04 3.23 3.25 2yv5A1 TRP 51 HB3 0.07 -0.00 -0.03 -0.04 3.23 3.22 2yv5A1 TRP 51 HD1 0.08 -0.03 -0.28 -0.04 7.22 6.95 2yv5A1 TRP 51 HE1 0.06 0.01 -0.12 -0.04 10.20 10.11 2yv5A1 TRP 51 HE3 0.08 -0.04 -0.45 -0.04 7.59 7.14 2yv5A1 TRP 51 HZ2 0.03 0.02 -0.04 -0.04 7.44 7.41 2yv5A1 TRP 51 HZ3 0.06 0.11 -0.11 -0.04 7.13 7.15 2yv5A1 TRP 51 HH2 0.04 0.01 -0.02 -0.04 7.19 7.18 2yv5A1 GLY 52 H 0.32 0.56 0.36 -0.55 8.43 9.12 2yv5A1 GLY 52 HA2 -0.10 -0.00 0.54 -0.51 4.01 3.93 2yv5A1 GLY 52 HA3 -0.64 0.22 0.50 -0.51 4.01 3.57 2yv5A1 GLU 53 H -0.61 0.52 0.29 -0.55 8.60 8.26 2yv5A1 GLU 53 HA -0.19 0.29 1.09 -0.75 4.29 4.73 2yv5A1 GLU 53 HB2 -0.18 -0.05 0.05 -0.04 2.09 1.87 2yv5A1 GLU 53 HB3 -0.11 0.14 -0.01 -0.04 1.99 1.97 2yv5A1 GLU 53 HG2 -0.06 0.17 -0.32 -0.04 2.34 2.09 2yv5A1 GLU 53 HG3 -0.10 -0.06 -0.24 -0.04 2.34 1.89 2yv5A1 VAL 54 H -0.10 0.20 0.17 -0.55 8.24 7.96 2yv5A1 VAL 54 HA -0.10 0.11 0.68 -0.75 4.13 4.07 2yv5A1 VAL 54 HB -0.03 0.00 0.12 -0.04 2.12 2.17 2yv5A1 VAL 54 HG13 0.05 0.01 -0.17 -0.04 0.97 0.82 2yv5A1 VAL 54 HG23 -0.20 -0.00 -0.04 -0.04 0.95 0.67 2yv5A1 VAL 55 H 0.01 0.72 0.45 -0.55 8.24 8.86 2yv5A1 VAL 55 HA -0.02 0.16 0.79 -0.75 4.13 4.30 2yv5A1 VAL 55 HB 0.02 -0.02 0.03 -0.04 2.12 2.11 2yv5A1 VAL 55 HG13 -0.00 -0.01 -0.04 -0.04 0.97 0.88 2yv5A1 VAL 55 HG23 -0.06 0.01 -0.07 -0.04 0.95 0.79 2yv5A1 ASP 56 H 0.09 0.38 0.33 -0.55 8.40 8.66 2yv5A1 ASP 56 HA 0.05 0.17 0.43 -0.75 4.63 4.52 2yv5A1 ASP 56 HB2 0.04 0.04 0.16 -0.04 2.71 2.90 2yv5A1 ASP 56 HB3 0.03 0.20 0.01 -0.04 2.70 2.90 2yv5A1 PRO 57 HA 0.11 0.08 0.35 -0.51 4.44 4.47 2yv5A1 PRO 57 HB2 0.00 0.02 0.04 -0.04 2.28 2.30 2yv5A1 PRO 57 HB3 -0.00 0.06 0.12 -0.04 2.02 2.15 2yv5A1 PRO 57 HG2 0.02 0.05 0.08 -0.04 2.03 2.14 2yv5A1 PRO 57 HG3 0.04 0.06 0.09 -0.04 2.03 2.18 2yv5A1 PRO 57 HD2 0.03 0.11 0.18 -0.04 3.68 3.96 2yv5A1 PRO 57 HD3 0.04 0.16 0.21 -0.04 3.65 4.02 2yv5A1 ASN 58 H 0.07 -0.03 -0.54 -0.55 8.53 7.49 2yv5A1 ASN 58 HA -0.14 0.32 1.12 -0.75 4.76 5.31 2yv5A1 ASN 58 HB2 0.01 -0.01 0.00 -0.04 2.88 2.84 2yv5A1 ASN 58 HB3 -0.03 0.01 0.19 -0.04 2.79 2.91 2yv5A1 ASN 58 HD21 -0.06 -0.01 -0.07 -0.04 7.03 6.85 2yv5A1 ASN 58 HD22 -0.09 0.04 0.02 -0.04 7.74 7.68 2yv5A1 THR 59 H 0.23 0.42 0.15 -0.55 8.28 8.54 2yv5A1 THR 59 HA 0.19 0.28 1.17 -0.75 4.39 5.27 2yv5A1 THR 59 HB 0.08 -0.11 0.05 -0.04 4.32 4.29 2yv5A1 THR 59 HG23 0.06 0.03 -0.13 -0.04 1.22 1.14 2yv5A1 PHE 60 H 0.23 0.86 0.25 -0.55 8.34 9.12 2yv5A1 PHE 60 HA -0.09 0.20 0.95 -0.75 4.62 4.92 2yv5A1 PHE 60 HB2 -0.27 -0.02 -0.26 -0.04 3.15 2.55 2yv5A1 PHE 60 HB3 -0.03 0.01 -0.14 -0.04 3.06 2.86 2yv5A1 PHE 60 HD2 -0.23 -0.05 -0.40 -0.04 7.28 6.56 2yv5A1 PHE 60 HE2 -0.10 -0.01 -0.41 -0.04 7.38 6.82 2yv5A1 PHE 60 HZ -0.08 0.08 -0.30 -0.04 7.32 6.98 2yv5A1 ALA 61 H -0.38 0.69 0.28 -0.55 8.40 8.44 2yv5A1 ALA 61 HA -0.07 0.22 0.77 -0.75 4.34 4.50 2yv5A1 ALA 61 HB3 -0.14 -0.01 0.09 -0.04 1.41 1.31 2yv5A1 ILE 62 H 0.00 0.54 0.14 -0.55 8.25 8.39 2yv5A1 ILE 62 HA 0.03 0.04 0.58 -0.75 4.18 4.07 2yv5A1 ILE 62 HB 0.06 -0.03 -0.05 -0.04 1.89 1.83 2yv5A1 ILE 62 HG12 0.39 -0.01 -0.24 -0.04 1.49 1.58 2yv5A1 ILE 62 HG13 0.24 -0.00 -0.15 -0.04 1.21 1.25 2yv5A1 ILE 62 HG23 0.12 -0.00 -0.23 -0.04 0.93 0.78 2yv5A1 ILE 62 HD13 0.08 0.01 -0.22 -0.04 0.88 0.70 2yv5A1 GLU 63 H 0.04 0.48 0.58 -0.55 8.60 9.16 2yv5A1 GLU 63 HA 0.01 0.21 0.89 -0.75 4.29 4.65 2yv5A1 GLU 63 HB2 0.06 0.03 0.04 -0.04 2.09 2.18 2yv5A1 GLU 63 HB3 0.03 -0.03 0.01 -0.04 1.99 1.95 2yv5A1 GLU 63 HG2 -0.07 0.01 -0.08 -0.04 2.34 2.16 2yv5A1 GLU 63 HG3 -0.03 -0.06 -0.05 -0.04 2.34 2.16 2yv5A1 GLU 64 H 0.17 0.46 0.35 -0.55 8.60 9.03 2yv5A1 GLU 64 HA 0.09 0.18 0.74 -0.75 4.29 4.54 2yv5A1 GLU 64 HB2 0.25 -0.04 -0.16 -0.04 2.09 2.11 2yv5A1 GLU 64 HB3 0.10 0.04 0.06 -0.04 1.99 2.15 2yv5A1 GLU 64 HG2 0.07 0.12 -0.53 -0.04 2.34 1.96 2yv5A1 GLU 64 HG3 0.20 -0.06 -0.13 -0.04 2.34 2.31 2yv5A1 VAL 65 H 0.11 0.25 0.12 -0.55 8.24 8.16 2yv5A1 VAL 65 HA 0.15 0.21 0.95 -0.75 4.13 4.68 2yv5A1 VAL 65 HB 0.07 -0.05 0.04 -0.04 2.12 2.15 2yv5A1 VAL 65 HG13 0.08 0.09 -0.09 -0.04 0.97 1.01 2yv5A1 VAL 65 HG23 0.05 -0.01 -0.24 -0.04 0.95 0.71 2yv5A1 GLU 66 H 0.21 0.69 0.26 -0.55 8.60 9.21 2yv5A1 GLU 66 HA 0.16 -0.00 0.49 -0.75 4.29 4.19 2yv5A1 GLU 66 HB2 0.22 -0.03 0.12 -0.04 2.09 2.36 2yv5A1 GLU 66 HB3 0.14 0.06 0.09 -0.04 1.99 2.24 2yv5A1 GLU 66 HG2 0.38 -0.04 -0.07 -0.04 2.34 2.57 2yv5A1 GLU 66 HG3 0.35 0.03 -0.18 -0.04 2.34 2.50 2yv5A1 GLU 67 H 0.09 0.05 0.18 -0.55 8.60 8.37 2yv5A1 GLU 67 HA 0.08 0.04 0.48 -0.75 4.29 4.13 2yv5A1 GLU 67 HB2 0.05 -0.03 0.15 -0.04 2.09 2.22 2yv5A1 GLU 67 HB3 0.05 -0.03 0.10 -0.04 1.99 2.08 2yv5A1 GLU 67 HG2 0.05 0.19 -0.14 -0.04 2.34 2.40 2yv5A1 GLU 67 HG3 0.05 -0.03 0.08 -0.04 2.34 2.40 2yv5A1 ARG 68 H 0.08 0.10 0.20 -0.55 8.46 8.28 2yv5A1 ARG 68 HA 0.10 0.16 0.84 -0.75 4.34 4.69 2yv5A1 ARG 68 HB2 0.08 -0.04 0.19 -0.04 1.90 2.09 2yv5A1 ARG 68 HB3 0.12 0.03 0.08 -0.04 1.80 1.99 2yv5A1 ARG 68 HG2 0.10 -0.04 0.12 -0.04 1.67 1.81 2yv5A1 ARG 68 HG3 0.07 0.02 -0.09 -0.04 1.67 1.63 2yv5A1 ARG 68 HD2 0.10 -0.01 -0.07 -0.04 3.22 3.20 2yv5A1 ARG 68 HD3 0.08 0.06 0.02 -0.04 3.22 3.34 2yv5A1 LYS 69 H 0.07 0.10 0.23 -0.55 8.42 8.27 2yv5A1 LYS 69 HA 0.03 0.16 0.74 -0.75 4.32 4.49 2yv5A1 LYS 69 HB2 0.02 0.05 0.14 -0.04 1.87 2.03 2yv5A1 LYS 69 HB3 0.02 -0.02 0.08 -0.04 1.79 1.84 2yv5A1 LYS 69 HG2 0.05 -0.13 0.14 -0.04 1.46 1.48 2yv5A1 LYS 69 HG3 0.02 0.10 -0.15 -0.04 1.46 1.39 2yv5A1 LYS 69 HD2 0.00 0.02 0.00 -0.04 1.69 1.68 2yv5A1 LYS 69 HD3 0.01 -0.04 0.02 -0.04 1.68 1.64 2yv5A1 LYS 69 HE2 0.05 0.00 -0.13 -0.04 2.99 2.87 2yv5A1 LYS 69 HE3 -0.01 0.17 -0.21 -0.04 2.99 2.90 2yv5A1 ASN 70 H 0.04 0.03 0.15 -0.55 8.53 8.21 2yv5A1 ASN 70 HA 0.03 0.15 0.31 -0.75 4.76 4.50 2yv5A1 ASN 70 HB2 0.05 0.13 0.13 -0.04 2.88 3.15 2yv5A1 ASN 70 HB3 0.03 0.33 0.13 -0.04 2.79 3.23 2yv5A1 ASN 70 HD21 -0.01 0.41 0.05 -0.04 7.03 7.44 2yv5A1 ASN 70 HD22 0.01 0.48 0.07 -0.04 7.74 8.26 2yv5A1 LEU 71 H 0.05 0.37 0.05 -0.55 8.37 8.29 2yv5A1 LEU 71 HA -0.07 0.13 0.67 -0.75 4.35 4.33 2yv5A1 LEU 71 HB2 -0.03 0.00 -0.17 -0.04 1.64 1.39 2yv5A1 LEU 71 HB3 -0.02 -0.01 0.02 -0.04 1.64 1.59 2yv5A1 LEU 71 HG -0.22 0.14 -0.33 -0.04 1.64 1.20 2yv5A1 LEU 71 HD13 -0.43 0.00 -0.25 -0.04 0.93 0.21 2yv5A1 LEU 71 HD23 -0.25 -0.02 -0.11 -0.04 0.89 0.46 2yv5A1 LEU 72 H -0.13 0.61 0.22 -0.55 8.37 8.52 2yv5A1 LEU 72 HA -0.39 0.11 0.62 -0.75 4.35 3.93 2yv5A1 LEU 72 HB2 -0.21 0.07 0.07 -0.04 1.64 1.53 2yv5A1 LEU 72 HB3 -0.36 -0.10 0.01 -0.04 1.64 1.14 2yv5A1 LEU 72 HG -0.12 0.02 -0.07 -0.04 1.64 1.43 2yv5A1 LEU 72 HD13 -0.18 -0.01 -0.10 -0.04 0.93 0.61 2yv5A1 LEU 72 HD23 -0.12 0.01 -0.12 -0.04 0.89 0.62 2yv5A1 ILE 73 H -0.59 0.10 0.10 -0.55 8.25 7.31 2yv5A1 ILE 73 HA -0.14 0.21 0.82 -0.75 4.18 4.32 2yv5A1 ILE 73 HB 0.03 -0.02 0.07 -0.04 1.89 1.93 2yv5A1 ILE 73 HG12 -0.41 0.02 0.03 -0.04 1.49 1.09 2yv5A1 ILE 73 HG13 -0.23 -0.00 -0.14 -0.04 1.21 0.79 2yv5A1 ILE 73 HG23 0.11 0.02 -0.11 -0.04 0.93 0.91 2yv5A1 ILE 73 HD13 0.31 -0.00 -0.05 -0.04 0.88 1.10 2yv5A1 ARG 74 H -0.40 0.11 -0.23 -0.55 8.46 7.38 2yv5A1 ARG 74 HA -0.15 -0.02 0.22 -0.75 4.34 3.64 2yv5A1 ARG 74 HB2 -0.08 0.09 -0.09 -0.04 1.90 1.79 2yv5A1 ARG 74 HB3 -0.47 -0.12 0.02 -0.04 1.80 1.18 2yv5A1 ARG 74 HG2 -0.15 0.26 -0.19 -0.04 1.67 1.56 2yv5A1 ARG 74 HG3 -0.07 -0.03 0.03 -0.04 1.67 1.56 2yv5A1 ARG 74 HD2 0.08 -0.05 -0.06 -0.04 3.22 3.14 2yv5A1 ARG 74 HD3 0.03 -0.07 -0.22 -0.04 3.22 2.92 2yv5A1 PRO 75 HA -0.10 0.09 0.16 -0.51 4.44 4.08 2yv5A1 PRO 75 HB2 -0.07 -0.01 -0.12 -0.04 2.28 2.04 2yv5A1 PRO 75 HB3 -0.07 0.07 -0.02 -0.04 2.02 1.95 2yv5A1 PRO 75 HG2 -0.11 -0.02 -0.19 -0.04 2.03 1.67 2yv5A1 PRO 75 HG3 -0.09 0.10 -0.03 -0.04 2.03 1.97 2yv5A1 PRO 75 HD2 -0.18 0.03 0.37 -0.04 3.68 3.87 2yv5A1 PRO 75 HD3 -0.14 0.32 -0.43 -0.04 3.65 3.37 2yv5A1 LYS 76 H -0.07 0.11 -0.08 -0.55 8.42 7.84 2yv5A1 LYS 76 HA -0.17 0.36 0.44 -0.75 4.32 4.20 2yv5A1 LYS 76 HB2 -0.06 0.00 0.03 -0.04 1.87 1.81 2yv5A1 LYS 76 HB3 -0.01 -0.08 0.16 -0.04 1.79 1.82 2yv5A1 LYS 76 HG2 -0.16 -0.07 -0.08 -0.04 1.46 1.11 2yv5A1 LYS 76 HG3 -0.39 0.15 -0.09 -0.04 1.46 1.08 2yv5A1 LYS 76 HD2 -0.10 0.04 -0.02 -0.04 1.69 1.58 2yv5A1 LYS 76 HD3 0.01 -0.05 -0.02 -0.04 1.68 1.58 2yv5A1 LYS 76 HE2 -0.55 -0.03 -0.10 -0.04 2.99 2.27 2yv5A1 LYS 76 HE3 -0.30 0.06 -0.09 -0.04 2.99 2.62 2yv5A1 VAL 77 H -0.16 0.38 0.11 -0.55 8.24 8.01 2yv5A1 VAL 77 HA -0.05 0.26 0.77 -0.75 4.13 4.35 2yv5A1 VAL 77 HB -0.07 -0.06 -0.43 -0.04 2.12 1.52 2yv5A1 VAL 77 HG13 -0.11 0.03 -0.23 -0.04 0.97 0.61 2yv5A1 VAL 77 HG23 -0.06 0.02 -0.38 -0.04 0.95 0.50 2yv5A1 ALA 78 H -0.01 0.70 0.23 -0.55 8.40 8.78 2yv5A1 ALA 78 HA -0.03 0.17 0.83 -0.75 4.34 4.57 2yv5A1 ALA 78 HB3 0.07 -0.03 -0.08 -0.04 1.41 1.33 2yv5A1 ASN 79 H 0.04 0.32 0.21 -0.55 8.53 8.55 2yv5A1 ASN 79 HA 0.06 -0.03 0.34 -0.75 4.76 4.38 2yv5A1 ASN 79 HB2 0.14 0.33 -0.10 -0.04 2.88 3.21 2yv5A1 ASN 79 HB3 0.27 -0.00 0.20 -0.04 2.79 3.22 2yv5A1 ASN 79 HD21 0.22 -0.05 0.02 -0.04 7.03 7.18 2yv5A1 ASN 79 HD22 0.17 0.57 0.03 -0.04 7.74 8.47 2yv5A1 VAL 80 H -0.01 0.03 -0.28 -0.55 8.24 7.44 2yv5A1 VAL 80 HA -0.01 0.09 0.44 -0.75 4.13 3.89 2yv5A1 VAL 80 HB -0.06 -0.01 -0.10 -0.04 2.12 1.91 2yv5A1 VAL 80 HG13 -0.10 -0.03 -0.32 -0.04 0.97 0.48 2yv5A1 VAL 80 HG23 -0.07 -0.01 -0.34 -0.04 0.95 0.49 2yv5A1 ASP 81 H -0.04 0.50 0.40 -0.55 8.40 8.71 2yv5A1 ASP 81 HA -0.19 0.11 0.76 -0.75 4.63 4.55 2yv5A1 ASP 81 HB2 -0.22 -0.00 0.22 -0.04 2.71 2.66 2yv5A1 ASP 81 HB3 -1.06 0.01 0.05 -0.04 2.70 1.66 2yv5A1 ARG 82 H -0.11 0.36 0.19 -0.55 8.46 8.36 2yv5A1 ARG 82 HA -0.12 0.51 0.81 -0.75 4.34 4.78 2yv5A1 ARG 82 HB2 0.05 -0.09 -0.06 -0.04 1.90 1.76 2yv5A1 ARG 82 HB3 0.05 -0.04 -0.22 -0.04 1.80 1.55 2yv5A1 ARG 82 HG2 -0.60 -0.03 -0.47 -0.04 1.67 0.52 2yv5A1 ARG 82 HG3 0.21 -0.03 -0.19 -0.04 1.67 1.61 2yv5A1 ARG 82 HD2 0.14 -0.08 -0.30 -0.04 3.22 2.94 2yv5A1 ARG 82 HD3 -0.10 0.25 0.04 -0.04 3.22 3.37 2yv5A1 VAL 83 H -0.15 0.54 0.09 -0.55 8.24 8.17 2yv5A1 VAL 83 HA -0.24 0.11 0.92 -0.75 4.13 4.17 2yv5A1 VAL 83 HB -0.63 0.03 -0.06 -0.04 2.12 1.41 2yv5A1 VAL 83 HG13 -0.47 0.01 -0.13 -0.04 0.97 0.33 2yv5A1 VAL 83 HG23 -0.77 -0.03 -0.26 -0.04 0.95 -0.15 2yv5A1 ILE 84 H -0.14 0.92 0.30 -0.55 8.25 8.78 2yv5A1 ILE 84 HA -0.09 0.21 0.74 -0.75 4.18 4.28 2yv5A1 ILE 84 HB -0.08 -0.08 0.20 -0.04 1.89 1.89 2yv5A1 ILE 84 HG12 0.04 0.02 -0.16 -0.04 1.49 1.36 2yv5A1 ILE 84 HG13 -0.00 0.02 -0.21 -0.04 1.21 0.97 2yv5A1 ILE 84 HG23 -0.08 -0.02 -0.19 -0.04 0.93 0.60 2yv5A1 ILE 84 HD13 0.02 -0.01 -0.18 -0.04 0.88 0.67 2yv5A1 ILE 85 H -0.16 0.62 0.24 -0.55 8.25 8.39 2yv5A1 ILE 85 HA -0.14 0.09 0.62 -0.75 4.18 4.00 2yv5A1 ILE 85 HB -0.21 -0.05 0.11 -0.04 1.89 1.71 2yv5A1 ILE 85 HG12 -0.11 -0.03 -0.19 -0.04 1.49 1.12 2yv5A1 ILE 85 HG13 -0.20 0.09 -0.19 -0.04 1.21 0.87 2yv5A1 ILE 85 HG23 -0.14 -0.01 -0.22 -0.04 0.93 0.52 2yv5A1 ILE 85 HD13 -0.08 -0.00 -0.13 -0.04 0.88 0.62 2yv5A1 VAL 86 H -0.12 0.75 0.35 -0.55 8.24 8.67 2yv5A1 VAL 86 HA -0.18 0.22 0.77 -0.75 4.13 4.19 2yv5A1 VAL 86 HB -0.08 -0.03 0.08 -0.04 2.12 2.05 2yv5A1 VAL 86 HG13 -0.07 -0.03 -0.23 -0.04 0.97 0.60 2yv5A1 VAL 86 HG23 -0.09 0.02 -0.05 -0.04 0.95 0.79 2yv5A1 GLU 87 H -0.27 0.66 0.43 -0.55 8.60 8.87 2yv5A1 GLU 87 HA -0.07 0.15 0.72 -0.75 4.29 4.33 2yv5A1 GLU 87 HB2 -0.86 0.02 -0.11 -0.04 2.09 1.10 2yv5A1 GLU 87 HB3 -0.20 -0.04 -0.05 -0.04 1.99 1.66 2yv5A1 GLU 87 HG2 -0.19 0.12 -0.42 -0.04 2.34 1.81 2yv5A1 GLU 87 HG3 -0.18 -0.05 -0.13 -0.04 2.34 1.94 2yv5A1 THR 88 H 0.10 0.29 0.11 -0.55 8.28 8.23 2yv5A1 THR 88 HA 0.14 0.17 0.81 -0.75 4.39 4.75 2yv5A1 THR 88 HB 0.05 0.08 -0.01 -0.04 4.32 4.40 2yv5A1 THR 88 HG23 0.02 -0.02 -0.22 -0.04 1.22 0.96 2yv5A1 LEU 89 H 0.05 0.19 0.12 -0.55 8.37 8.18 2yv5A1 LEU 89 HA -0.03 0.02 0.53 -0.75 4.35 4.12 2yv5A1 LEU 89 HB2 -0.10 0.01 0.11 -0.04 1.64 1.62 2yv5A1 LEU 89 HB3 0.01 -0.00 0.10 -0.04 1.64 1.70 2yv5A1 LEU 89 HG 0.09 -0.01 -0.09 -0.04 1.64 1.59 2yv5A1 LEU 89 HD13 0.10 -0.00 0.01 -0.04 0.93 1.00 2yv5A1 LEU 89 HD23 0.05 0.01 0.02 -0.04 0.89 0.92 2yv5A1 LYS 90 H 0.05 0.18 -0.02 -0.55 8.42 8.07 2yv5A1 LYS 90 HA 0.07 0.10 0.51 -0.75 4.32 4.24 2yv5A1 LYS 90 HB2 0.04 0.02 -0.08 -0.04 1.87 1.80 2yv5A1 LYS 90 HB3 0.04 -0.04 0.01 -0.04 1.79 1.77 2yv5A1 LYS 90 HG2 0.07 0.15 -0.19 -0.04 1.46 1.46 2yv5A1 LYS 90 HG3 0.05 -0.13 -0.40 -0.04 1.46 0.94 2yv5A1 LYS 90 HD2 0.04 -0.01 -0.05 -0.04 1.69 1.62 2yv5A1 LYS 90 HD3 0.04 0.03 -0.03 -0.04 1.68 1.68 2yv5A1 LYS 90 HE2 0.08 0.05 -0.03 -0.04 2.99 3.05 2yv5A1 LYS 90 HE3 0.06 -0.06 -0.04 -0.04 2.99 2.91 2yv5A1 MET 91 H 0.04 0.03 -0.17 -0.55 8.47 7.82 2yv5A1 MET 91 HA 0.02 -0.04 0.28 -0.75 4.52 4.03 2yv5A1 MET 91 HB2 0.02 -0.09 -0.20 -0.04 2.15 1.85 2yv5A1 MET 91 HB3 0.02 0.12 0.17 -0.04 2.03 2.30 2yv5A1 MET 91 HG2 0.01 0.06 0.01 -0.04 2.63 2.67 2yv5A1 MET 91 HG3 0.01 -0.03 0.02 -0.04 2.56 2.52 2yv5A1 MET 91 HE3 0.01 -0.01 -0.03 -0.04 2.10 2.04 2yv5A1 PRO 92 HA 0.03 -0.09 0.27 -0.51 4.44 4.14 2yv5A1 PRO 92 HB2 0.02 0.07 -0.04 -0.04 2.28 2.29 2yv5A1 PRO 92 HB3 0.01 0.03 0.01 -0.04 2.02 2.03 2yv5A1 PRO 92 HG2 0.03 -0.00 -0.20 -0.04 2.03 1.82 2yv5A1 PRO 92 HG3 0.01 0.19 -0.09 -0.04 2.03 2.10 2yv5A1 PRO 92 HD2 0.02 0.06 -0.02 -0.04 3.68 3.70 2yv5A1 PRO 92 HD3 0.01 0.10 -0.08 -0.04 3.65 3.64 2yv5A1 GLU 93 H 0.03 0.09 0.08 -0.55 8.60 8.26 2yv5A1 GLU 93 HA 0.08 0.13 0.54 -0.75 4.29 4.28 2yv5A1 GLU 93 HB2 0.03 -0.03 0.11 -0.04 2.09 2.16 2yv5A1 GLU 93 HB3 0.06 0.11 0.04 -0.04 1.99 2.16 2yv5A1 GLU 93 HG2 0.04 -0.10 0.12 -0.04 2.34 2.35 2yv5A1 GLU 93 HG3 0.04 0.03 0.07 -0.04 2.34 2.44 2yv5A1 PHE 94 H 0.20 0.50 0.31 -0.55 8.34 8.80 2yv5A1 PHE 94 HA -0.06 0.04 0.41 -0.75 4.62 4.25 2yv5A1 PHE 94 HB2 -0.05 0.22 0.27 -0.04 3.15 3.55 2yv5A1 PHE 94 HB3 -0.13 -0.06 0.21 -0.04 3.06 3.03 2yv5A1 PHE 94 HD2 -0.53 0.03 -0.04 -0.04 7.28 6.71 2yv5A1 PHE 94 HE2 -1.43 0.02 -0.07 -0.04 7.38 5.85 2yv5A1 PHE 94 HZ -0.31 0.04 -0.07 -0.04 7.32 6.93 2yv5A1 ASN 95 H -0.52 0.22 0.09 -0.55 8.53 7.77 2yv5A1 ASN 95 HA -0.31 0.18 0.87 -0.75 4.76 4.75 2yv5A1 ASN 95 HB2 -0.12 0.20 -0.02 -0.04 2.88 2.91 2yv5A1 ASN 95 HB3 -0.19 -0.02 0.23 -0.04 2.79 2.77 2yv5A1 ASN 95 HD21 0.04 0.03 0.02 -0.04 7.03 7.07 2yv5A1 ASN 95 HD22 -0.02 0.10 0.02 -0.04 7.74 7.79 2yv5A1 ASN 96 H -0.72 0.27 0.02 -0.55 8.53 7.55 2yv5A1 ASN 96 HA -0.88 0.10 0.37 -0.75 4.76 3.59 2yv5A1 ASN 96 HB2 -0.01 0.04 0.03 -0.04 2.88 2.89 2yv5A1 ASN 96 HB3 -1.05 0.05 0.06 -0.04 2.79 1.81 2yv5A1 ASN 96 HD21 0.30 0.07 -0.09 -0.04 7.03 7.27 2yv5A1 ASN 96 HD22 0.34 -0.01 -0.22 -0.04 7.74 7.81 2yv5A1 TYR 97 H -0.00 0.10 -0.19 -0.55 8.29 7.64 2yv5A1 TYR 97 HA 0.04 0.11 0.48 -0.75 4.56 4.44 2yv5A1 TYR 97 HB2 0.01 0.04 0.08 -0.04 3.06 3.15 2yv5A1 TYR 97 HB3 -0.05 -0.03 0.08 -0.04 2.98 2.93 2yv5A1 TYR 97 HD2 0.02 -0.04 0.01 -0.04 7.15 7.10 2yv5A1 TYR 97 HE2 0.01 0.07 -0.01 -0.04 6.85 6.88 2yv5A1 LEU 98 H -0.08 0.12 -0.15 -0.55 8.37 7.70 2yv5A1 LEU 98 HA -0.30 0.10 0.52 -0.75 4.35 3.92 2yv5A1 LEU 98 HB2 -0.13 0.09 0.16 -0.04 1.64 1.72 2yv5A1 LEU 98 HB3 -0.11 0.01 0.09 -0.04 1.64 1.59 2yv5A1 LEU 98 HG 0.05 -0.07 0.03 -0.04 1.64 1.61 2yv5A1 LEU 98 HD13 -0.02 0.01 0.02 -0.04 0.93 0.90 2yv5A1 LEU 98 HD23 -0.09 0.00 -0.03 -0.04 0.89 0.73 2yv5A1 LEU 99 H -0.23 0.36 -0.16 -0.55 8.37 7.79 2yv5A1 LEU 99 HA -0.13 0.08 0.46 -0.75 4.35 4.00 2yv5A1 LEU 99 HB2 -0.12 0.00 0.05 -0.04 1.64 1.54 2yv5A1 LEU 99 HB3 -0.16 0.02 0.12 -0.04 1.64 1.58 2yv5A1 LEU 99 HG -0.22 0.02 -0.28 -0.04 1.64 1.11 2yv5A1 LEU 99 HD13 -0.23 0.00 -0.03 -0.04 0.93 0.64 2yv5A1 LEU 99 HD23 -0.46 -0.00 -0.08 -0.04 0.89 0.30 2yv5A1 ASP 100 H -0.05 0.52 -0.15 -0.55 8.40 8.17 2yv5A1 ASP 100 HA -0.05 0.03 0.42 -0.75 4.63 4.28 2yv5A1 ASP 100 HB2 0.05 0.10 0.19 -0.04 2.71 3.01 2yv5A1 ASP 100 HB3 0.08 -0.02 0.03 -0.04 2.70 2.75 2yv5A1 ASN 101 H -0.23 0.46 -0.17 -0.55 8.53 8.04 2yv5A1 ASN 101 HA -0.11 -0.01 0.47 -0.75 4.76 4.36 2yv5A1 ASN 101 HB2 -0.28 0.10 0.31 -0.04 2.88 2.96 2yv5A1 ASN 101 HB3 -0.18 0.12 0.10 -0.04 2.79 2.78 2yv5A1 ASN 101 HD21 -1.50 -0.04 0.02 -0.04 7.03 5.46 2yv5A1 ASN 101 HD22 -1.05 0.45 0.05 -0.04 7.74 7.15 2yv5A1 MET 102 H -0.12 0.51 -0.15 -0.55 8.47 8.16 2yv5A1 MET 102 HA -0.09 -0.03 0.36 -0.75 4.52 4.02 2yv5A1 MET 102 HB2 -0.03 -0.02 0.07 -0.04 2.15 2.13 2yv5A1 MET 102 HB3 -0.03 0.10 0.11 -0.04 2.03 2.17 2yv5A1 MET 102 HG2 0.31 0.03 -0.20 -0.04 2.63 2.72 2yv5A1 MET 102 HG3 0.19 -0.07 -0.04 -0.04 2.56 2.59 2yv5A1 MET 102 HE3 0.08 -0.00 -0.35 -0.04 2.10 1.79 2yv5A1 LEU 103 H -0.10 0.59 -0.13 -0.55 8.37 8.19 2yv5A1 LEU 103 HA -0.01 0.03 0.46 -0.75 4.35 4.08 2yv5A1 LEU 103 HB2 -0.17 0.06 0.17 -0.04 1.64 1.66 2yv5A1 LEU 103 HB3 -0.21 0.02 0.03 -0.04 1.64 1.44 2yv5A1 LEU 103 HG -0.21 0.09 0.02 -0.04 1.64 1.50 2yv5A1 LEU 103 HD13 -0.31 -0.04 -0.09 -0.04 0.93 0.46 2yv5A1 LEU 103 HD23 -0.51 -0.00 -0.03 -0.04 0.89 0.31 2yv5A1 VAL 104 H -0.10 0.49 -0.15 -0.55 8.24 7.93 2yv5A1 VAL 104 HA 0.03 0.18 0.45 -0.75 4.13 4.04 2yv5A1 VAL 104 HB -0.03 0.07 0.21 -0.04 2.12 2.33 2yv5A1 VAL 104 HG13 0.11 -0.02 -0.12 -0.04 0.97 0.90 2yv5A1 VAL 104 HG23 -0.08 0.03 -0.02 -0.04 0.95 0.84 2yv5A1 VAL 105 H -0.07 0.43 -0.18 -0.55 8.24 7.87 2yv5A1 VAL 105 HA -0.08 0.03 0.32 -0.75 4.13 3.65 2yv5A1 VAL 105 HB -0.23 0.09 0.12 -0.04 2.12 2.06 2yv5A1 VAL 105 HG13 -0.27 -0.01 -0.16 -0.04 0.97 0.49 2yv5A1 VAL 105 HG23 -0.11 0.02 -0.04 -0.04 0.95 0.78 2yv5A1 TYR 106 H 0.04 0.55 -0.10 -0.55 8.29 8.23 2yv5A1 TYR 106 HA 0.20 -0.00 0.47 -0.75 4.56 4.47 2yv5A1 TYR 106 HB2 0.01 0.06 0.12 -0.04 3.06 3.21 2yv5A1 TYR 106 HB3 0.03 0.13 -0.01 -0.04 2.98 3.08 2yv5A1 TYR 106 HD2 -0.02 0.06 -0.06 -0.04 7.15 7.08 2yv5A1 TYR 106 HE2 -0.21 -0.02 -0.05 -0.04 6.85 6.53 2yv5A1 GLU 107 H 0.12 0.49 -0.23 -0.55 8.60 8.44 2yv5A1 GLU 107 HA 0.17 0.06 0.44 -0.75 4.29 4.20 2yv5A1 GLU 107 HB2 0.19 0.10 0.23 -0.04 2.09 2.58 2yv5A1 GLU 107 HB3 0.35 -0.04 0.07 -0.04 1.99 2.32 2yv5A1 GLU 107 HG2 0.21 0.02 0.12 -0.04 2.34 2.64 2yv5A1 GLU 107 HG3 0.22 0.02 0.04 -0.04 2.34 2.58 2yv5A1 TYR 108 H -0.12 0.47 -0.18 -0.55 8.29 7.91 2yv5A1 TYR 108 HA -0.62 0.02 0.39 -0.75 4.56 3.60 2yv5A1 TYR 108 HB2 -1.09 -0.06 0.05 -0.04 3.06 1.92 2yv5A1 TYR 108 HB3 -0.44 0.15 0.18 -0.04 2.98 2.83 2yv5A1 TYR 108 HD2 -0.64 -0.01 -0.05 -0.04 7.15 6.41 2yv5A1 TYR 108 HE2 -0.40 -0.07 -0.01 -0.04 6.85 6.33 2yv5A1 PHE 109 H 0.13 0.37 -0.22 -0.55 8.34 8.07 2yv5A1 PHE 109 HA -0.29 0.07 0.53 -0.75 4.62 4.18 2yv5A1 PHE 109 HB2 0.04 0.03 0.07 -0.04 3.15 3.25 2yv5A1 PHE 109 HB3 -0.02 -0.07 0.05 -0.04 3.06 2.98 2yv5A1 PHE 109 HD2 -0.09 0.17 -0.00 -0.04 7.28 7.31 2yv5A1 PHE 109 HE2 -0.26 -0.03 -0.02 -0.04 7.38 7.03 2yv5A1 PHE 109 HZ -0.06 -0.02 -0.02 -0.04 7.32 7.17 2yv5A1 LYS 110 H 0.02 0.34 -0.85 -0.55 8.42 7.38 2yv5A1 LYS 110 HA 0.07 0.07 0.29 -0.75 4.32 4.00 2yv5A1 LYS 110 HB2 0.01 0.11 0.01 -0.04 1.87 1.96 2yv5A1 LYS 110 HB3 0.02 -0.06 0.20 -0.04 1.79 1.91 2yv5A1 LYS 110 HG2 0.02 -0.01 0.02 -0.04 1.46 1.45 2yv5A1 LYS 110 HG3 -0.09 0.14 -0.24 -0.04 1.46 1.23 2yv5A1 LYS 110 HD2 -0.04 -0.03 -0.03 -0.04 1.69 1.54 2yv5A1 LYS 110 HD3 -0.00 -0.00 0.04 -0.04 1.68 1.68 2yv5A1 LYS 110 HE2 0.01 -0.02 0.02 -0.04 2.99 2.95 2yv5A1 LYS 110 HE3 -0.06 0.04 0.02 -0.04 2.99 2.94 2yv5A1 VAL 111 H 0.13 0.56 -0.07 -0.55 8.24 8.32 2yv5A1 VAL 111 HA 0.01 0.24 0.82 -0.75 4.13 4.44 2yv5A1 VAL 111 HB 0.03 0.02 -0.21 -0.04 2.12 1.92 2yv5A1 VAL 111 HG13 0.12 -0.01 -0.12 -0.04 0.97 0.91 2yv5A1 VAL 111 HG23 -0.10 0.04 -0.41 -0.04 0.95 0.44 2yv5A1 GLU 112 H -0.03 0.28 0.04 -0.55 8.60 8.33 2yv5A1 GLU 112 HA 0.07 0.10 0.55 -0.75 4.29 4.26 2yv5A1 GLU 112 HB2 -0.01 -0.03 0.12 -0.04 2.09 2.13 2yv5A1 GLU 112 HB3 -0.08 0.22 0.24 -0.04 1.99 2.33 2yv5A1 GLU 112 HG2 0.03 -0.04 0.02 -0.04 2.34 2.30 2yv5A1 GLU 112 HG3 0.08 0.14 -0.16 -0.04 2.34 2.36 2yv5A1 PRO 113 HA -0.08 0.17 0.86 -0.51 4.44 4.88 2yv5A1 PRO 113 HB2 -0.10 -0.06 -0.05 -0.04 2.28 2.03 2yv5A1 PRO 113 HB3 -0.10 -0.03 0.05 -0.04 2.02 1.90 2yv5A1 PRO 113 HG2 0.06 -0.03 0.07 -0.04 2.03 2.09 2yv5A1 PRO 113 HG3 0.09 0.09 0.03 -0.04 2.03 2.21 2yv5A1 PRO 113 HD2 0.27 0.04 0.25 -0.04 3.68 4.20 2yv5A1 PRO 113 HD3 0.16 0.24 0.31 -0.04 3.65 4.32 2yv5A1 VAL 114 H -0.07 0.60 0.34 -0.55 8.24 8.56 2yv5A1 VAL 114 HA 0.00 0.22 0.67 -0.75 4.13 4.27 2yv5A1 VAL 114 HB 0.14 0.09 -0.07 -0.04 2.12 2.25 2yv5A1 VAL 114 HG13 0.02 -0.01 -0.12 -0.04 0.97 0.81 2yv5A1 VAL 114 HG23 -0.41 -0.02 -0.28 -0.04 0.95 0.20 2yv5A1 ILE 115 H -0.09 0.67 0.24 -0.55 8.25 8.53 2yv5A1 ILE 115 HA -0.26 0.19 0.81 -0.75 4.18 4.16 2yv5A1 ILE 115 HB -0.14 0.01 0.15 -0.04 1.89 1.88 2yv5A1 ILE 115 HG12 -0.35 -0.01 -0.06 -0.04 1.49 1.02 2yv5A1 ILE 115 HG13 -0.22 0.00 -0.14 -0.04 1.21 0.81 2yv5A1 ILE 115 HG23 -0.67 -0.02 -0.17 -0.04 0.93 0.03 2yv5A1 ILE 115 HD13 -0.36 -0.00 -0.09 -0.04 0.88 0.38 2yv5A1 VAL 116 H -0.30 0.75 0.24 -0.55 8.24 8.38 2yv5A1 VAL 116 HA -0.13 0.24 1.00 -0.75 4.13 4.49 2yv5A1 VAL 116 HB -0.14 -0.00 -0.05 -0.04 2.12 1.88 2yv5A1 VAL 116 HG13 -0.07 -0.03 -0.34 -0.04 0.97 0.49 2yv5A1 VAL 116 HG23 -0.12 0.01 -0.36 -0.04 0.95 0.45 2yv5A1 PHE 117 H 0.06 0.68 0.31 -0.55 8.34 8.83 2yv5A1 PHE 117 HA -0.10 0.23 0.82 -0.75 4.62 4.81 2yv5A1 PHE 117 HB2 -0.07 0.02 0.21 -0.04 3.15 3.27 2yv5A1 PHE 117 HB3 -0.09 -0.03 0.02 -0.04 3.06 2.92 2yv5A1 PHE 117 HD2 -0.16 0.03 -0.21 -0.04 7.28 6.91 2yv5A1 PHE 117 HE2 -0.60 0.01 -0.18 -0.04 7.38 6.56 2yv5A1 PHE 117 HZ -0.61 -0.02 -0.14 -0.04 7.32 6.50 2yv5A1 ASN 118 H 0.01 0.74 0.44 -0.55 8.53 9.18 2yv5A1 ASN 118 HA 0.02 0.20 0.76 -0.75 4.76 4.98 2yv5A1 ASN 118 HB2 -0.03 0.01 0.01 -0.04 2.88 2.82 2yv5A1 ASN 118 HB3 -0.01 0.27 0.13 -0.04 2.79 3.14 2yv5A1 ASN 118 HD21 -0.02 -0.18 0.12 -0.04 7.03 6.92 2yv5A1 ASN 118 HD22 -0.02 0.73 0.32 -0.04 7.74 8.73 2yv5A1 LYS 119 H 0.01 -0.06 0.32 -0.55 8.42 8.14 2yv5A1 LYS 119 HA 0.01 -0.13 0.47 -0.75 4.32 3.92 2yv5A1 LYS 119 HB2 0.02 0.25 0.08 -0.04 1.87 2.18 2yv5A1 LYS 119 HB3 0.01 -0.05 0.26 -0.04 1.79 1.98 2yv5A1 LYS 119 HG2 0.00 -0.16 0.08 -0.04 1.46 1.34 2yv5A1 LYS 119 HG3 0.01 0.13 -0.16 -0.04 1.46 1.40 2yv5A1 LYS 119 HD2 0.02 0.21 0.08 -0.04 1.69 1.95 2yv5A1 LYS 119 HD3 0.01 -0.13 0.07 -0.04 1.68 1.59 2yv5A1 LYS 119 HE2 -0.00 -0.22 -0.05 -0.04 2.99 2.68 2yv5A1 LYS 119 HE3 0.00 0.07 0.02 -0.04 2.99 3.04 2yv5A1 ILE 120 H 0.02 0.34 -0.06 -0.55 8.25 8.00 2yv5A1 ILE 120 HA 0.01 0.10 0.37 -0.75 4.18 3.90 2yv5A1 ILE 120 HB 0.00 0.02 0.01 -0.04 1.89 1.89 2yv5A1 ILE 120 HG12 0.01 0.01 -0.23 -0.04 1.49 1.24 2yv5A1 ILE 120 HG13 0.01 -0.01 -0.29 -0.04 1.21 0.88 2yv5A1 ILE 120 HG23 0.02 0.04 -0.05 -0.04 0.93 0.91 2yv5A1 ILE 120 HD13 0.01 0.00 -0.28 -0.04 0.88 0.57 2yv5A1 ASP 121 H 0.01 -0.06 -0.33 -0.55 8.40 7.47 2yv5A1 ASP 121 HA 0.00 0.15 0.41 -0.75 4.63 4.43 2yv5A1 ASP 121 HB2 0.00 0.10 0.07 -0.04 2.71 2.84 2yv5A1 ASP 121 HB3 0.00 -0.10 0.09 -0.04 2.70 2.65 2yv5A1 LEU 122 H 0.01 0.38 -0.39 -0.55 8.37 7.82 2yv5A1 LEU 122 HA 0.01 0.15 0.62 -0.75 4.35 4.38 2yv5A1 LEU 122 HB2 0.01 0.15 0.08 -0.04 1.64 1.85 2yv5A1 LEU 122 HB3 0.01 -0.05 0.07 -0.04 1.64 1.63 2yv5A1 LEU 122 HG 0.01 -0.13 0.01 -0.04 1.64 1.49 2yv5A1 LEU 122 HD13 0.01 0.02 0.02 -0.04 0.93 0.94 2yv5A1 LEU 122 HD23 0.01 0.01 -0.04 -0.04 0.89 0.83 2yv5A1 LEU 123 H 0.01 0.30 -0.27 -0.55 8.37 7.86 2yv5A1 LEU 123 HA 0.01 0.02 0.53 -0.75 4.35 4.16 2yv5A1 LEU 123 HB2 -0.00 0.12 0.06 -0.04 1.64 1.78 2yv5A1 LEU 123 HB3 0.00 -0.12 -0.09 -0.04 1.64 1.39 2yv5A1 LEU 123 HG 0.00 0.04 0.07 -0.04 1.64 1.72 2yv5A1 LEU 123 HD13 -0.02 0.01 -0.06 -0.04 0.93 0.82 2yv5A1 LEU 123 HD23 0.01 -0.03 -0.09 -0.04 0.89 0.75 2yv5A1 ASN 124 H 0.01 0.02 0.20 -0.55 8.53 8.22 2yv5A1 ASN 124 HA 0.01 0.26 0.62 -0.75 4.76 4.89 2yv5A1 ASN 124 HB2 0.01 -0.03 0.21 -0.04 2.88 3.03 2yv5A1 ASN 124 HB3 0.01 0.15 0.14 -0.04 2.79 3.05 2yv5A1 ASN 124 HD21 0.02 0.03 0.04 -0.04 7.03 7.07 2yv5A1 ASN 124 HD22 0.01 0.12 0.07 -0.04 7.74 7.90 2yv5A1 GLU 125 H 0.00 0.21 0.17 -0.55 8.60 8.44 2yv5A1 GLU 125 HA 0.00 0.14 0.42 -0.75 4.29 4.10 2yv5A1 GLU 125 HB2 0.00 -0.02 0.17 -0.04 2.09 2.21 2yv5A1 GLU 125 HB3 0.00 0.06 0.02 -0.04 1.99 2.02 2yv5A1 GLU 125 HG2 0.00 0.04 0.06 -0.04 2.34 2.40 2yv5A1 GLU 125 HG3 0.00 0.00 0.07 -0.04 2.34 2.38 2yv5A1 GLU 126 H 0.01 0.09 -0.11 -0.55 8.60 8.05 2yv5A1 GLU 126 HA 0.00 0.16 0.51 -0.75 4.29 4.21 2yv5A1 GLU 126 HB2 0.01 -0.03 0.05 -0.04 2.09 2.08 2yv5A1 GLU 126 HB3 0.01 0.06 0.01 -0.04 1.99 2.03 2yv5A1 GLU 126 HG2 0.01 0.07 0.02 -0.04 2.34 2.40 2yv5A1 GLU 126 HG3 0.00 0.06 0.02 -0.04 2.34 2.38 2yv5A1 GLU 127 H 0.01 0.05 -0.23 -0.55 8.60 7.89 2yv5A1 GLU 127 HA 0.03 0.09 0.51 -0.75 4.29 4.16 2yv5A1 GLU 127 HB2 0.01 -0.00 0.14 -0.04 2.09 2.20 2yv5A1 GLU 127 HB3 0.02 0.03 0.03 -0.04 1.99 2.04 2yv5A1 GLU 127 HG2 0.04 0.07 0.03 -0.04 2.34 2.43 2yv5A1 GLU 127 HG3 0.02 -0.07 0.04 -0.04 2.34 2.29 2yv5A1 LYS 128 H -0.00 0.54 -0.24 -0.55 8.42 8.16 2yv5A1 LYS 128 HA -0.02 0.03 0.40 -0.75 4.32 3.97 2yv5A1 LYS 128 HB2 -0.01 0.12 0.10 -0.04 1.87 2.04 2yv5A1 LYS 128 HB3 -0.01 -0.01 -0.03 -0.04 1.79 1.70 2yv5A1 LYS 128 HG2 -0.01 -0.04 -0.01 -0.04 1.46 1.36 2yv5A1 LYS 128 HG3 -0.00 0.09 -0.16 -0.04 1.46 1.34 2yv5A1 LYS 128 HD2 -0.00 -0.05 -0.11 -0.04 1.69 1.49 2yv5A1 LYS 128 HD3 -0.00 -0.03 -0.04 -0.04 1.68 1.56 2yv5A1 LYS 128 HE2 -0.00 -0.03 -0.03 -0.04 2.99 2.89 2yv5A1 LYS 128 HE3 0.00 0.28 -0.07 -0.04 2.99 3.16 2yv5A1 LYS 129 H -0.01 0.31 -0.31 -0.55 8.42 7.85 2yv5A1 LYS 129 HA -0.02 0.06 0.46 -0.75 4.32 4.06 2yv5A1 LYS 129 HB2 -0.01 0.11 0.16 -0.04 1.87 2.09 2yv5A1 LYS 129 HB3 -0.02 -0.01 0.03 -0.04 1.79 1.75 2yv5A1 LYS 129 HG2 -0.01 -0.01 0.03 -0.04 1.46 1.43 2yv5A1 LYS 129 HG3 -0.01 0.15 0.11 -0.04 1.46 1.67 2yv5A1 LYS 129 HD2 -0.01 -0.05 0.01 -0.04 1.69 1.60 2yv5A1 LYS 129 HD3 -0.01 0.00 0.01 -0.04 1.68 1.64 2yv5A1 LYS 129 HE2 -0.01 0.01 -0.00 -0.04 2.99 2.95 2yv5A1 LYS 129 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.94 2yv5A1 GLU 130 H -0.00 0.37 -0.18 -0.55 8.60 8.25 2yv5A1 GLU 130 HA -0.06 0.06 0.48 -0.75 4.29 4.01 2yv5A1 GLU 130 HB2 0.02 0.03 0.12 -0.04 2.09 2.23 2yv5A1 GLU 130 HB3 0.05 0.05 0.20 -0.04 1.99 2.25 2yv5A1 GLU 130 HG2 0.19 -0.01 0.01 -0.04 2.34 2.49 2yv5A1 GLU 130 HG3 0.26 -0.03 -0.20 -0.04 2.34 2.34 2yv5A1 LEU 131 H -0.01 0.61 -0.16 -0.55 8.37 8.26 2yv5A1 LEU 131 HA -0.05 -0.02 0.40 -0.75 4.35 3.92 2yv5A1 LEU 131 HB2 -0.11 -0.03 0.12 -0.04 1.64 1.57 2yv5A1 LEU 131 HB3 -0.08 0.16 0.17 -0.04 1.64 1.84 2yv5A1 LEU 131 HG -0.24 0.02 -0.27 -0.04 1.64 1.11 2yv5A1 LEU 131 HD13 -0.96 -0.03 0.02 -0.04 0.93 -0.09 2yv5A1 LEU 131 HD23 -0.11 -0.00 -0.02 -0.04 0.89 0.71 2yv5A1 GLU 132 H -0.05 0.53 -0.18 -0.55 8.60 8.36 2yv5A1 GLU 132 HA -0.04 -0.00 0.42 -0.75 4.29 3.92 2yv5A1 GLU 132 HB2 -0.03 0.13 0.14 -0.04 2.09 2.29 2yv5A1 GLU 132 HB3 -0.02 -0.02 0.01 -0.04 1.99 1.92 2yv5A1 GLU 132 HG2 -0.03 0.17 0.07 -0.04 2.34 2.52 2yv5A1 GLU 132 HG3 -0.01 -0.02 0.01 -0.04 2.34 2.27 2yv5A1 ARG 133 H -0.08 0.39 -0.40 -0.55 8.46 7.83 2yv5A1 ARG 133 HA -0.09 0.05 0.50 -0.75 4.34 4.04 2yv5A1 ARG 133 HB2 -0.15 0.07 0.16 -0.04 1.90 1.94 2yv5A1 ARG 133 HB3 -0.34 0.11 0.20 -0.04 1.80 1.73 2yv5A1 ARG 133 HG2 -0.39 -0.08 -0.11 -0.04 1.67 1.05 2yv5A1 ARG 133 HG3 -0.18 0.02 0.07 -0.04 1.67 1.54 2yv5A1 ARG 133 HD2 -0.21 0.02 0.01 -0.04 3.22 2.99 2yv5A1 ARG 133 HD3 -0.18 0.02 0.03 -0.04 3.22 3.04 2yv5A1 TRP 134 H -0.03 0.48 -0.02 -0.55 7.97 7.85 2yv5A1 TRP 134 HA 0.12 -0.02 0.48 -0.75 4.62 4.44 2yv5A1 TRP 134 HB2 -0.33 0.13 0.15 -0.04 3.23 3.15 2yv5A1 TRP 134 HB3 0.03 -0.05 -0.03 -0.04 3.23 3.14 2yv5A1 TRP 134 HD1 -0.14 0.03 -0.07 -0.04 7.22 7.01 2yv5A1 TRP 134 HE1 0.18 -0.00 -0.01 -0.04 10.20 10.33 2yv5A1 TRP 134 HE3 0.42 0.00 0.04 -0.04 7.59 8.01 2yv5A1 TRP 134 HZ2 0.21 0.03 -0.00 -0.04 7.44 7.64 2yv5A1 TRP 134 HZ3 0.24 -0.05 -0.03 -0.04 7.13 7.25 2yv5A1 TRP 134 HH2 0.18 -0.03 -0.01 -0.04 7.19 7.30 2yv5A1 ILE 135 H 0.05 0.61 -0.14 -0.55 8.25 8.23 2yv5A1 ILE 135 HA 0.28 -0.01 0.37 -0.75 4.18 4.07 2yv5A1 ILE 135 HB 0.02 0.08 0.13 -0.04 1.89 2.08 2yv5A1 ILE 135 HG12 0.05 -0.05 -0.06 -0.04 1.49 1.40 2yv5A1 ILE 135 HG13 -0.27 0.19 0.02 -0.04 1.21 1.11 2yv5A1 ILE 135 HG23 0.10 -0.01 -0.12 -0.04 0.93 0.86 2yv5A1 ILE 135 HD13 -0.05 -0.02 -0.14 -0.04 0.88 0.63 2yv5A1 SER 136 H 0.06 0.56 -0.23 -0.55 8.46 8.31 2yv5A1 SER 136 HA 0.08 0.03 0.41 -0.75 4.49 4.25 2yv5A1 SER 136 HB2 0.00 0.10 0.15 -0.04 3.95 4.17 2yv5A1 SER 136 HB3 0.02 -0.03 0.02 -0.04 3.93 3.90 2yv5A1 ILE 137 H 0.09 0.43 -0.18 -0.55 8.25 8.05 2yv5A1 ILE 137 HA 0.02 0.05 0.48 -0.75 4.18 3.98 2yv5A1 ILE 137 HB 0.17 0.13 0.22 -0.04 1.89 2.37 2yv5A1 ILE 137 HG12 -0.04 -0.07 0.06 -0.04 1.49 1.40 2yv5A1 ILE 137 HG13 -0.06 0.21 0.11 -0.04 1.21 1.42 2yv5A1 ILE 137 HG23 -0.14 -0.04 -0.11 -0.04 0.93 0.59 2yv5A1 ILE 137 HD13 -0.29 -0.05 -0.02 -0.04 0.88 0.48 2yv5A1 TYR 138 H 0.34 0.56 -0.08 -0.55 8.29 8.56 2yv5A1 TYR 138 HA 0.28 -0.01 0.44 -0.75 4.56 4.52 2yv5A1 TYR 138 HB2 0.26 0.11 0.09 -0.04 3.06 3.47 2yv5A1 TYR 138 HB3 0.23 0.01 -0.04 -0.04 2.98 3.13 2yv5A1 TYR 138 HD2 0.27 0.15 -0.02 -0.04 7.15 7.52 2yv5A1 TYR 138 HE2 0.30 -0.04 -0.05 -0.04 6.85 7.03 2yv5A1 ARG 139 H 0.22 0.54 -0.12 -0.55 8.46 8.55 2yv5A1 ARG 139 HA 0.18 0.39 0.58 -0.75 4.34 4.74 2yv5A1 ARG 139 HB2 0.11 0.02 0.17 -0.04 1.90 2.16 2yv5A1 ARG 139 HB3 0.09 -0.03 0.02 -0.04 1.80 1.84 2yv5A1 ARG 139 HG2 0.12 0.05 0.13 -0.04 1.67 1.94 2yv5A1 ARG 139 HG3 0.17 0.02 0.08 -0.04 1.67 1.89 2yv5A1 ARG 139 HD2 0.08 -0.04 -0.08 -0.04 3.22 3.15 2yv5A1 ARG 139 HD3 0.07 -0.02 0.02 -0.04 3.22 3.25 2yv5A1 ASP 140 H 0.10 0.61 -0.10 -0.55 8.40 8.46 2yv5A1 ASP 140 HA 0.05 0.04 0.48 -0.75 4.63 4.44 2yv5A1 ASP 140 HB2 0.05 0.07 0.21 -0.04 2.71 3.00 2yv5A1 ASP 140 HB3 0.05 -0.01 0.07 -0.04 2.70 2.77 2yv5A1 ALA 141 H 0.10 0.31 -0.37 -0.55 8.40 7.90 2yv5A1 ALA 141 HA 0.06 0.01 0.49 -0.75 4.34 4.14 2yv5A1 ALA 141 HB3 0.15 -0.03 0.12 -0.04 1.41 1.60 2yv5A1 GLY 142 H 0.05 0.31 -0.58 -0.55 8.43 7.66 2yv5A1 GLY 142 HA2 -0.04 0.05 0.21 -0.51 4.01 3.72 2yv5A1 GLY 142 HA3 -0.18 0.11 0.81 -0.51 4.01 4.24 2yv5A1 TYR 143 H 0.16 0.47 0.19 -0.55 8.29 8.57 2yv5A1 TYR 143 HA 0.08 0.22 0.89 -0.75 4.56 4.99 2yv5A1 TYR 143 HB2 0.19 -0.02 -0.06 -0.04 3.06 3.13 2yv5A1 TYR 143 HB3 0.08 0.04 -0.06 -0.04 2.98 3.01 2yv5A1 TYR 143 HD2 0.15 0.07 -0.00 -0.04 7.15 7.32 2yv5A1 TYR 143 HE2 0.06 -0.02 -0.01 -0.04 6.85 6.84 2yv5A1 ASP 144 H 0.21 0.24 0.21 -0.55 8.40 8.52 2yv5A1 ASP 144 HA 0.11 0.08 0.60 -0.75 4.63 4.66 2yv5A1 ASP 144 HB2 0.13 0.05 0.21 -0.04 2.71 3.06 2yv5A1 ASP 144 HB3 -0.04 -0.02 -0.01 -0.04 2.70 2.58 2yv5A1 VAL 145 H 0.04 0.26 0.20 -0.55 8.24 8.19 2yv5A1 VAL 145 HA -0.02 0.29 1.01 -0.75 4.13 4.66 2yv5A1 VAL 145 HB 0.13 -0.02 0.06 -0.04 2.12 2.24 2yv5A1 VAL 145 HG13 0.24 -0.03 -0.09 -0.04 0.97 1.05 2yv5A1 VAL 145 HG23 0.21 0.05 -0.32 -0.04 0.95 0.85 2yv5A1 LEU 146 H -0.05 0.71 0.39 -0.55 8.37 8.87 2yv5A1 LEU 146 HA -0.00 0.17 0.91 -0.75 4.35 4.67 2yv5A1 LEU 146 HB2 -0.10 -0.03 -0.08 -0.04 1.64 1.39 2yv5A1 LEU 146 HB3 -0.05 -0.00 -0.03 -0.04 1.64 1.52 2yv5A1 LEU 146 HG -0.29 -0.03 -0.43 -0.04 1.64 0.85 2yv5A1 LEU 146 HD13 -0.25 0.00 -0.17 -0.04 0.93 0.47 2yv5A1 LEU 146 HD23 -0.05 0.05 -0.01 -0.04 0.89 0.83 2yv5A1 LYS 147 H 0.02 0.21 0.18 -0.55 8.42 8.27 2yv5A1 LYS 147 HA 0.09 0.28 1.08 -0.75 4.32 5.01 2yv5A1 LYS 147 HB2 0.03 -0.03 0.10 -0.04 1.87 1.92 2yv5A1 LYS 147 HB3 0.03 -0.02 -0.01 -0.04 1.79 1.76 2yv5A1 LYS 147 HG2 0.05 0.02 -0.03 -0.04 1.46 1.46 2yv5A1 LYS 147 HG3 0.06 -0.01 -0.22 -0.04 1.46 1.25 2yv5A1 LYS 147 HD2 -0.00 -0.03 -0.04 -0.04 1.69 1.58 2yv5A1 LYS 147 HD3 -0.02 -0.00 -0.07 -0.04 1.68 1.54 2yv5A1 LYS 147 HE2 0.02 0.04 -0.04 -0.04 2.99 2.97 2yv5A1 LYS 147 HE3 0.02 -0.03 -0.01 -0.04 2.99 2.93 2yv5A1 VAL 148 H 0.03 0.79 0.34 -0.55 8.24 8.85 2yv5A1 VAL 148 HA 0.01 0.25 0.76 -0.75 4.13 4.39 2yv5A1 VAL 148 HB -0.01 -0.01 -0.12 -0.04 2.12 1.94 2yv5A1 VAL 148 HG13 -0.01 -0.01 -0.44 -0.04 0.97 0.47 2yv5A1 VAL 148 HG23 -0.02 -0.04 -0.32 -0.04 0.95 0.54 2yv5A1 SER 149 H 0.00 0.78 0.12 -0.55 8.46 8.81 2yv5A1 SER 149 HA 0.00 -0.04 0.93 -0.75 4.49 4.63 2yv5A1 SER 149 HB2 0.00 0.06 0.07 -0.04 3.95 4.04 2yv5A1 SER 149 HB3 0.00 -0.00 0.24 -0.04 3.93 4.12 2yv5A1 ALA 150 H -0.01 0.16 0.09 -0.55 8.40 8.10 2yv5A1 ALA 150 HA -0.02 0.17 0.45 -0.75 4.34 4.19 2yv5A1 ALA 150 HB3 -0.02 0.06 -0.04 -0.04 1.41 1.36 2yv5A1 LYS 151 H -0.01 -0.11 -0.20 -0.55 8.42 7.55 2yv5A1 LYS 151 HA -0.01 0.21 0.44 -0.75 4.32 4.21 2yv5A1 LYS 151 HB2 -0.00 0.02 0.07 -0.04 1.87 1.92 2yv5A1 LYS 151 HB3 -0.00 -0.16 0.10 -0.04 1.79 1.69 2yv5A1 LYS 151 HG2 -0.00 0.04 -0.33 -0.04 1.46 1.12 2yv5A1 LYS 151 HG3 -0.00 0.06 -0.01 -0.04 1.46 1.47 2yv5A1 LYS 151 HD2 -0.00 0.02 -0.02 -0.04 1.69 1.65 2yv5A1 LYS 151 HD3 0.00 -0.06 -0.04 -0.04 1.68 1.54 2yv5A1 LYS 151 HE2 0.00 0.00 -0.06 -0.04 2.99 2.90 2yv5A1 LYS 151 HE3 -0.00 0.03 -0.04 -0.04 2.99 2.94 2yv5A1 THR 152 H -0.00 -0.10 -0.06 -0.55 8.28 7.57 2yv5A1 THR 152 HA -0.00 0.25 0.65 -0.75 4.39 4.54 2yv5A1 THR 152 HB 0.00 0.09 0.11 -0.04 4.32 4.47 2yv5A1 THR 152 HG23 0.00 -0.00 0.02 -0.04 1.22 1.20 2yv5A1 GLY 153 H -0.00 0.35 -0.18 -0.55 8.43 8.05 2yv5A1 GLY 153 HA2 -0.00 0.05 0.30 -0.51 4.01 3.84 2yv5A1 GLY 153 HA3 -0.00 0.20 0.68 -0.51 4.01 4.38 2yv5A1 GLU 154 H 0.00 -0.02 -0.16 -0.55 8.60 7.88 2yv5A1 GLU 154 HA 0.00 0.09 0.36 -0.75 4.29 3.99 2yv5A1 GLU 154 HB2 0.00 0.07 0.06 -0.04 2.09 2.18 2yv5A1 GLU 154 HB3 0.00 -0.11 0.04 -0.04 1.99 1.89 2yv5A1 GLU 154 HG2 0.01 0.04 -0.14 -0.04 2.34 2.21 2yv5A1 GLU 154 HG3 0.01 0.03 0.04 -0.04 2.34 2.38 2yv5A1 GLY 155 H 0.01 0.16 0.21 -0.55 8.43 8.27 2yv5A1 GLY 155 HA2 0.01 0.02 0.42 -0.51 4.01 3.95 2yv5A1 GLY 155 HA3 0.01 0.32 0.67 -0.51 4.01 4.50 2yv5A1 ILE 156 H 0.01 0.48 -0.44 -0.55 8.25 7.75 2yv5A1 ILE 156 HA 0.01 0.07 0.29 -0.75 4.18 3.80 2yv5A1 ILE 156 HB 0.00 0.11 0.10 -0.04 1.89 2.06 2yv5A1 ILE 156 HG12 -0.00 0.00 -0.26 -0.04 1.49 1.19 2yv5A1 ILE 156 HG13 -0.01 0.06 -0.01 -0.04 1.21 1.21 2yv5A1 ILE 156 HG23 0.00 0.02 -0.16 -0.04 0.93 0.75 2yv5A1 ILE 156 HD13 -0.02 -0.02 -0.15 -0.04 0.88 0.65 2yv5A1 ASP 157 H 0.02 0.13 -0.05 -0.55 8.40 7.95 2yv5A1 ASP 157 HA 0.03 0.13 0.43 -0.75 4.63 4.47 2yv5A1 ASP 157 HB2 0.01 0.05 0.10 -0.04 2.71 2.83 2yv5A1 ASP 157 HB3 0.02 -0.05 0.03 -0.04 2.70 2.65 2yv5A1 GLU 158 H 0.02 0.01 -0.39 -0.55 8.60 7.70 2yv5A1 GLU 158 HA 0.04 0.08 0.39 -0.75 4.29 4.05 2yv5A1 GLU 158 HB2 0.02 0.11 0.12 -0.04 2.09 2.30 2yv5A1 GLU 158 HB3 0.04 0.05 -0.00 -0.04 1.99 2.03 2yv5A1 GLU 158 HG2 0.02 0.04 0.04 -0.04 2.34 2.41 2yv5A1 GLU 158 HG3 0.03 0.04 0.03 -0.04 2.34 2.39 2yv5A1 LEU 159 H 0.04 0.36 -0.27 -0.55 8.37 7.95 2yv5A1 LEU 159 HA 0.09 0.05 0.40 -0.75 4.35 4.14 2yv5A1 LEU 159 HB2 0.01 -0.02 -0.01 -0.04 1.64 1.58 2yv5A1 LEU 159 HB3 0.04 0.11 0.11 -0.04 1.64 1.86 2yv5A1 LEU 159 HG 0.10 0.04 -0.31 -0.04 1.64 1.43 2yv5A1 LEU 159 HD13 0.04 -0.01 -0.12 -0.04 0.93 0.80 2yv5A1 LEU 159 HD23 -0.02 -0.02 -0.16 -0.04 0.89 0.66 2yv5A1 VAL 160 H 0.08 0.52 -0.11 -0.55 8.24 8.17 2yv5A1 VAL 160 HA 0.20 0.05 0.34 -0.75 4.13 3.97 2yv5A1 VAL 160 HB 0.06 0.08 0.16 -0.04 2.12 2.38 2yv5A1 VAL 160 HG13 0.03 -0.01 -0.08 -0.04 0.97 0.87 2yv5A1 VAL 160 HG23 0.15 0.05 -0.01 -0.04 0.95 1.09 2yv5A1 ASP 161 H 0.05 0.45 -0.22 -0.55 8.40 8.13 2yv5A1 ASP 161 HA -0.04 0.00 0.40 -0.75 4.63 4.24 2yv5A1 ASP 161 HB2 0.04 0.09 0.14 -0.04 2.71 2.94 2yv5A1 ASP 161 HB3 0.01 -0.00 -0.04 -0.04 2.70 2.62 2yv5A1 TYR 162 H 0.17 0.39 -0.23 -0.55 8.29 8.07 2yv5A1 TYR 162 HA -0.01 0.01 0.39 -0.75 4.56 4.20 2yv5A1 TYR 162 HB2 0.04 -0.04 0.09 -0.04 3.06 3.10 2yv5A1 TYR 162 HB3 0.05 0.07 0.13 -0.04 2.98 3.18 2yv5A1 TYR 162 HD2 0.09 0.01 -0.17 -0.04 7.15 7.04 2yv5A1 TYR 162 HE2 0.11 -0.01 -0.10 -0.04 6.85 6.81 2yv5A1 LEU 163 H 0.12 0.38 -0.42 -0.55 8.37 7.90 2yv5A1 LEU 163 HA 0.09 0.12 0.46 -0.75 4.35 4.26 2yv5A1 LEU 163 HB2 0.19 0.03 -0.01 -0.04 1.64 1.82 2yv5A1 LEU 163 HB3 0.25 -0.06 0.02 -0.04 1.64 1.80 2yv5A1 LEU 163 HG 0.36 0.13 -0.09 -0.04 1.64 2.00 2yv5A1 LEU 163 HD13 0.26 -0.05 -0.20 -0.04 0.93 0.91 2yv5A1 LEU 163 HD23 0.40 -0.00 -0.19 -0.04 0.89 1.06 2yv5A1 GLU 164 H -0.27 0.33 -0.46 -0.55 8.60 7.66 2yv5A1 GLU 164 HA -0.29 -0.05 0.36 -0.75 4.29 3.56 2yv5A1 GLU 164 HB2 -0.19 -0.07 0.19 -0.04 2.09 1.98 2yv5A1 GLU 164 HB3 -0.30 0.05 0.11 -0.04 1.99 1.81 2yv5A1 GLU 164 HG2 -0.23 -0.01 -0.24 -0.04 2.34 1.82 2yv5A1 GLU 164 HG3 -0.19 0.18 0.09 -0.04 2.34 2.38 2yv5A1 GLY 165 H -0.26 0.43 0.09 -0.55 8.43 8.14 2yv5A1 GLY 165 HA2 -0.09 0.14 0.40 -0.51 4.01 3.94 2yv5A1 GLY 165 HA3 -0.16 -0.04 0.45 -0.51 4.01 3.74 2yv5A1 PHE 166 H -0.12 0.51 -0.29 -0.55 8.34 7.89 2yv5A1 PHE 166 HA 0.05 0.18 0.89 -0.75 4.62 4.99 2yv5A1 PHE 166 HB2 0.01 0.06 -0.03 -0.04 3.15 3.15 2yv5A1 PHE 166 HB3 0.03 -0.08 -0.11 -0.04 3.06 2.86 2yv5A1 PHE 166 HD2 -0.03 -0.05 -0.16 -0.04 7.28 7.00 2yv5A1 PHE 166 HE2 -0.24 -0.04 -0.04 -0.04 7.38 7.02 2yv5A1 PHE 166 HZ -0.15 -0.08 -0.02 -0.04 7.32 7.02 2yv5A1 ILE 167 H 0.21 0.16 0.29 -0.55 8.25 8.35 2yv5A1 ILE 167 HA 0.25 0.14 0.78 -0.75 4.18 4.60 2yv5A1 ILE 167 HB 0.08 0.07 0.33 -0.04 1.89 2.33 2yv5A1 ILE 167 HG12 0.06 -0.04 -0.02 -0.04 1.49 1.45 2yv5A1 ILE 167 HG13 0.19 0.01 0.03 -0.04 1.21 1.40 2yv5A1 ILE 167 HG23 0.01 -0.00 -0.18 -0.04 0.93 0.72 2yv5A1 ILE 167 HD13 -0.14 0.02 0.03 -0.04 0.88 0.75 2yv5A1 CYS 168 H 0.17 0.73 0.41 -0.55 8.50 9.26 2yv5A1 CYS 168 HA 0.02 0.29 1.11 -0.75 4.58 5.25 2yv5A1 CYS 168 HB2 0.13 -0.08 -0.04 -0.04 2.97 2.94 2yv5A1 CYS 168 HB3 0.08 -0.01 0.02 -0.04 2.97 3.01 2yv5A1 ILE 169 H -0.07 0.51 0.39 -0.55 8.25 8.53 2yv5A1 ILE 169 HA -0.07 0.08 0.90 -0.75 4.18 4.34 2yv5A1 ILE 169 HB -0.19 -0.02 0.07 -0.04 1.89 1.71 2yv5A1 ILE 169 HG12 -0.08 -0.03 -0.44 -0.04 1.49 0.89 2yv5A1 ILE 169 HG13 -0.13 0.03 -0.12 -0.04 1.21 0.94 2yv5A1 ILE 169 HG23 -0.17 0.03 -0.10 -0.04 0.93 0.66 2yv5A1 ILE 169 HD13 -0.07 0.03 0.07 -0.04 0.88 0.86 2yv5A1 LEU 170 H -0.09 0.25 0.17 -0.55 8.37 8.15 2yv5A1 LEU 170 HA -0.11 0.23 0.96 -0.75 4.35 4.68 2yv5A1 LEU 170 HB2 -0.08 0.01 0.09 -0.04 1.64 1.61 2yv5A1 LEU 170 HB3 -0.08 -0.03 0.02 -0.04 1.64 1.50 2yv5A1 LEU 170 HG -0.09 -0.02 -0.15 -0.04 1.64 1.34 2yv5A1 LEU 170 HD13 -0.10 0.03 -0.06 -0.04 0.93 0.76 2yv5A1 LEU 170 HD23 -0.09 0.00 -0.02 -0.04 0.89 0.74 2yv5A1 ALA 171 H -0.12 0.77 0.42 -0.55 8.40 8.93 2yv5A1 ALA 171 HA -0.05 0.16 0.76 -0.75 4.34 4.46 2yv5A1 ALA 171 HB3 -0.06 0.01 -0.07 -0.04 1.41 1.25 2yv5A1 GLY 172 H 0.02 0.65 0.27 -0.55 8.43 8.82 2yv5A1 GLY 172 HA2 -0.03 0.00 0.42 -0.51 4.01 3.89 2yv5A1 GLY 172 HA3 -0.05 0.25 0.99 -0.51 4.01 4.69 2yv5A1 PRO 173 HA -0.00 -0.03 0.42 -0.51 4.44 4.32 2yv5A1 PRO 173 HB2 -0.01 0.04 0.01 -0.04 2.28 2.28 2yv5A1 PRO 173 HB3 -0.02 0.03 0.07 -0.04 2.02 2.07 2yv5A1 PRO 173 HG2 -0.01 0.00 -0.02 -0.04 2.03 1.96 2yv5A1 PRO 173 HG3 -0.02 -0.02 0.06 -0.04 2.03 2.01 2yv5A1 PRO 173 HD2 -0.04 0.29 0.30 -0.04 3.68 4.19 2yv5A1 PRO 173 HD3 -0.03 0.12 0.24 -0.04 3.65 3.93 2yv5A1 SER 174 H -0.00 0.09 0.13 -0.55 8.46 8.13 2yv5A1 SER 174 HA -0.01 0.00 0.42 -0.75 4.49 4.15 2yv5A1 SER 174 HB2 -0.00 0.04 0.13 -0.04 3.95 4.08 2yv5A1 SER 174 HB3 -0.00 -0.00 0.13 -0.04 3.93 4.02 2yv5A1 GLY 175 H -0.01 0.05 0.19 -0.55 8.43 8.11 2yv5A1 GLY 175 HA2 -0.01 -0.03 0.33 -0.51 4.01 3.79 2yv5A1 GLY 175 HA3 -0.00 0.19 0.51 -0.51 4.01 4.20 2yv5A1 VAL 176 H -0.01 0.34 -0.16 -0.55 8.24 7.86 2yv5A1 VAL 176 HA -0.00 0.26 0.38 -0.75 4.13 4.02 2yv5A1 VAL 176 HB -0.03 -0.06 -0.29 -0.04 2.12 1.69 2yv5A1 VAL 176 HG13 -0.01 0.06 -0.16 -0.04 0.97 0.83 2yv5A1 VAL 176 HG23 -0.04 0.08 -0.14 -0.04 0.95 0.81 2yv5A1 GLY 177 H -0.02 -0.08 -0.18 -0.55 8.43 7.59 2yv5A1 GLY 177 HA2 -0.02 -0.01 0.21 -0.51 4.01 3.68 2yv5A1 GLY 177 HA3 -0.03 0.24 0.89 -0.51 4.01 4.60 2yv5A1 LYS 178 H -0.04 0.09 0.04 -0.55 8.42 7.95 2yv5A1 LYS 178 HA -0.06 0.15 0.34 -0.75 4.32 3.99 2yv5A1 LYS 178 HB2 -0.04 -0.06 0.03 -0.04 1.87 1.76 2yv5A1 LYS 178 HB3 -0.06 0.10 -0.07 -0.04 1.79 1.71 2yv5A1 LYS 178 HG2 -0.06 0.10 -0.07 -0.04 1.46 1.38 2yv5A1 LYS 178 HG3 -0.05 -0.12 -0.07 -0.04 1.46 1.18 2yv5A1 LYS 178 HD2 -0.05 0.02 -0.34 -0.04 1.69 1.28 2yv5A1 LYS 178 HD3 -0.04 0.14 -0.54 -0.04 1.68 1.19 2yv5A1 LYS 178 HE2 -0.03 -0.13 -0.09 -0.04 2.99 2.70 2yv5A1 LYS 178 HE3 -0.02 0.10 -0.12 -0.04 2.99 2.90 2yv5A1 SER 179 H -0.04 0.06 -0.10 -0.55 8.46 7.83 2yv5A1 SER 179 HA -0.05 0.16 0.49 -0.75 4.49 4.33 2yv5A1 SER 179 HB2 -0.03 0.05 0.10 -0.04 3.95 4.03 2yv5A1 SER 179 HB3 -0.03 -0.01 0.03 -0.04 3.93 3.88 2yv5A1 SER 180 H -0.03 -0.01 -0.33 -0.55 8.46 7.54 2yv5A1 SER 180 HA -0.03 0.12 0.38 -0.75 4.49 4.20 2yv5A1 SER 180 HB2 -0.03 0.07 0.07 -0.04 3.95 4.01 2yv5A1 SER 180 HB3 -0.02 0.02 -0.04 -0.04 3.93 3.85 2yv5A1 ILE 181 H -0.05 0.52 -0.19 -0.55 8.25 7.98 2yv5A1 ILE 181 HA -0.06 0.02 0.56 -0.75 4.18 3.94 2yv5A1 ILE 181 HB -0.07 0.11 0.10 -0.04 1.89 1.99 2yv5A1 ILE 181 HG12 -0.05 -0.08 -0.05 -0.04 1.49 1.27 2yv5A1 ILE 181 HG13 -0.04 -0.01 0.00 -0.04 1.21 1.11 2yv5A1 ILE 181 HG23 -0.09 0.01 -0.19 -0.04 0.93 0.62 2yv5A1 ILE 181 HD13 -0.06 -0.01 -0.15 -0.04 0.88 0.62 2yv5A1 LEU 182 H -0.08 0.52 -0.11 -0.55 8.37 8.16 2yv5A1 LEU 182 HA -0.17 0.03 0.34 -0.75 4.35 3.80 2yv5A1 LEU 182 HB2 -0.10 0.01 0.05 -0.04 1.64 1.57 2yv5A1 LEU 182 HB3 -0.07 0.04 0.11 -0.04 1.64 1.68 2yv5A1 LEU 182 HG -0.09 -0.01 -0.27 -0.04 1.64 1.23 2yv5A1 LEU 182 HD13 -0.15 0.01 -0.11 -0.04 0.93 0.64 2yv5A1 LEU 182 HD23 -0.06 -0.03 -0.33 -0.04 0.89 0.43 2yv5A1 SER 183 H -0.06 0.45 -0.30 -0.55 8.46 8.01 2yv5A1 SER 183 HA -0.05 -0.01 0.39 -0.75 4.49 4.07 2yv5A1 SER 183 HB2 -0.04 0.05 0.04 -0.04 3.95 3.96 2yv5A1 SER 183 HB3 -0.04 0.07 0.11 -0.04 3.93 4.03 2yv5A1 ARG 184 H -0.06 0.40 -0.19 -0.55 8.46 8.06 2yv5A1 ARG 184 HA -0.03 0.03 0.42 -0.75 4.34 4.00 2yv5A1 ARG 184 HB2 -0.06 0.10 0.20 -0.04 1.90 2.11 2yv5A1 ARG 184 HB3 -0.03 -0.07 -0.03 -0.04 1.80 1.63 2yv5A1 ARG 184 HG2 -0.03 0.09 0.12 -0.04 1.67 1.80 2yv5A1 ARG 184 HG3 -0.03 -0.18 0.09 -0.04 1.67 1.51 2yv5A1 ARG 184 HD2 -0.01 -0.09 0.04 -0.04 3.22 3.12 2yv5A1 ARG 184 HD3 -0.02 0.03 0.06 -0.04 3.22 3.24 2yv5A1 LEU 185 H -0.13 0.45 -0.26 -0.55 8.37 7.89 2yv5A1 LEU 185 HA -0.07 0.03 0.46 -0.75 4.35 4.02 2yv5A1 LEU 185 HB2 -0.39 0.06 0.04 -0.04 1.64 1.32 2yv5A1 LEU 185 HB3 -0.80 -0.03 -0.07 -0.04 1.64 0.69 2yv5A1 LEU 185 HG -0.19 0.16 -0.04 -0.04 1.64 1.53 2yv5A1 LEU 185 HD13 -0.51 -0.02 -0.17 -0.04 0.93 0.18 2yv5A1 LEU 185 HD23 -0.06 -0.03 -0.13 -0.04 0.89 0.63 2yv5A1 THR 186 H -0.10 0.41 -0.04 -0.55 8.28 8.00 2yv5A1 THR 186 HA -0.01 0.22 0.99 -0.75 4.39 4.84 2yv5A1 THR 186 HB -0.03 0.01 0.02 -0.04 4.32 4.28 2yv5A1 THR 186 HG23 -0.15 0.01 -0.28 -0.04 1.22 0.75 2yv5A1 GLY 187 H -0.05 0.41 0.20 -0.55 8.43 8.45 2yv5A1 GLY 187 HA2 -0.02 0.04 0.38 -0.51 4.01 3.90 2yv5A1 GLY 187 HA3 -0.02 0.07 0.53 -0.51 4.01 4.08 2yv5A1 GLU 188 H -0.04 0.08 -0.34 -0.55 8.60 7.75 2yv5A1 GLU 188 HA -0.02 0.18 0.83 -0.75 4.29 4.52 2yv5A1 GLU 188 HB2 -0.04 -0.02 -0.18 -0.04 2.09 1.82 2yv5A1 GLU 188 HB3 -0.03 0.01 -0.02 -0.04 1.99 1.92 2yv5A1 GLU 188 HG2 -0.02 0.15 -0.34 -0.04 2.34 2.09 2yv5A1 GLU 188 HG3 -0.01 0.01 -0.11 -0.04 2.34 2.19 2yv5A1 GLU 189 H -0.02 0.16 0.10 -0.55 8.60 8.28 2yv5A1 GLU 189 HA -0.03 0.08 0.69 -0.75 4.29 4.28 2yv5A1 GLU 189 HB2 -0.02 0.01 0.03 -0.04 2.09 2.07 2yv5A1 GLU 189 HB3 -0.02 0.04 -0.02 -0.04 1.99 1.94 2yv5A1 GLU 189 HG2 -0.02 0.02 -0.15 -0.04 2.34 2.15 2yv5A1 GLU 189 HG3 -0.02 0.01 -0.03 -0.04 2.34 2.26 2yv5A1 LEU 190 H -0.03 -0.01 0.14 -0.55 8.37 7.92 2yv5A1 LEU 190 HA -0.04 0.24 0.52 -0.75 4.35 4.32 2yv5A1 LEU 190 HB2 -0.04 -0.10 0.06 -0.04 1.64 1.51 2yv5A1 LEU 190 HB3 -0.03 -0.11 0.06 -0.04 1.64 1.52 2yv5A1 LEU 190 HG -0.04 0.16 -0.12 -0.04 1.64 1.60 2yv5A1 LEU 190 HD13 -0.05 0.05 -0.28 -0.04 0.93 0.60 2yv5A1 LEU 190 HD23 -0.04 -0.05 -0.17 -0.04 0.89 0.59 2yv5A1 ARG 191 H -0.03 0.83 0.42 -0.55 8.46 9.12 2yv5A1 ARG 191 HA -0.02 0.00 0.67 -0.75 4.34 4.24 2yv5A1 ARG 191 HB2 -0.02 0.03 0.10 -0.04 1.90 1.98 2yv5A1 ARG 191 HB3 -0.01 -0.03 -0.03 -0.04 1.80 1.69 2yv5A1 ARG 191 HG2 -0.02 -0.06 -0.04 -0.04 1.67 1.52 2yv5A1 ARG 191 HG3 -0.02 0.14 0.09 -0.04 1.67 1.84 2yv5A1 ARG 191 HD2 -0.01 -0.02 -0.04 -0.04 3.22 3.11 2yv5A1 ARG 191 HD3 -0.01 -0.02 -0.03 -0.04 3.22 3.12 2yv5A1 THR 192 H -0.01 0.04 0.02 -0.55 8.28 7.78 2yv5A1 THR 192 HA -0.01 0.25 0.90 -0.75 4.39 4.78 2yv5A1 THR 192 HB -0.01 -0.17 0.17 -0.04 4.32 4.27 2yv5A1 THR 192 HG23 -0.00 0.03 -0.00 -0.04 1.22 1.20 2yv5A1 GLN 193 H -0.01 -0.03 0.06 -0.55 8.47 7.95 2yv5A1 GLN 193 HA -0.00 0.18 0.53 -0.75 4.36 4.32 2yv5A1 GLN 193 HB2 -0.00 -0.10 0.33 -0.04 2.15 2.35 2yv5A1 GLN 193 HB3 0.00 0.06 1.44 -0.04 2.02 3.49 2yv5A1 GLN 193 HG2 -0.00 0.11 0.05 -0.04 2.40 2.52 2yv5A1 GLN 193 HG3 -0.00 -0.12 -0.71 -0.04 2.39 1.51 2yv5A1 GLN 193 HE21 0.01 -0.02 -0.02 -0.04 6.97 6.91 2yv5A1 GLN 193 HE22 0.01 0.06 -0.03 -0.04 7.69 7.68 2yv5A1 GLU 194 H -0.00 0.11 0.04 -0.55 8.60 8.20 2yv5A1 GLU 194 HA -0.00 0.05 0.41 -0.75 4.29 3.99 2yv5A1 GLU 194 HB2 -0.00 -0.02 0.20 -0.04 2.09 2.22 2yv5A1 GLU 194 HB3 -0.00 -0.02 0.16 -0.04 1.99 2.09 2yv5A1 GLU 194 HG2 -0.00 -0.07 0.16 -0.04 2.34 2.38 2yv5A1 GLU 194 HG3 -0.00 0.69 0.33 -0.04 2.34 3.33 2yv5A1 VAL 195 H -0.00 0.15 0.04 -0.55 8.24 7.88 2yv5A1 VAL 195 HA -0.00 0.04 0.21 -0.75 4.13 3.63 2yv5A1 VAL 195 HB -0.00 0.14 -0.10 -0.04 2.12 2.11 2yv5A1 VAL 195 HG13 -0.00 0.01 0.05 -0.04 0.97 0.99 2yv5A1 VAL 195 HG23 -0.00 0.00 -0.02 -0.04 0.95 0.89 2yv5A1 THR 205 HA 0.00 -0.09 0.24 -0.75 4.39 3.79 2yv5A1 THR 206 H 0.00 0.14 -0.07 -0.55 8.28 7.81 2yv5A1 THR 206 HA 0.01 0.01 0.45 -0.75 4.39 4.11 2yv5A1 THR 206 HB 0.00 -0.00 0.11 -0.04 4.32 4.38 2yv5A1 THR 206 HG23 0.00 -0.02 0.02 -0.04 1.22 1.18 2yv5A1 THR 207 H 0.00 0.08 0.11 -0.55 8.28 7.93 2yv5A1 THR 207 HA -0.00 0.21 0.85 -0.75 4.39 4.69 2yv5A1 THR 207 HB -0.01 0.00 0.18 -0.04 4.32 4.46 2yv5A1 THR 207 HG23 -0.01 0.03 -0.04 -0.04 1.22 1.16 2yv5A1 GLY 208 H 0.00 -0.01 0.14 -0.55 8.43 8.01 2yv5A1 GLY 208 HA2 0.00 0.04 0.47 -0.51 4.01 4.02 2yv5A1 GLY 208 HA3 -0.00 0.17 0.76 -0.51 4.01 4.43 2yv5A1 VAL 209 H -0.00 0.45 0.29 -0.55 8.24 8.43 2yv5A1 VAL 209 HA -0.02 0.16 0.93 -0.75 4.13 4.45 2yv5A1 VAL 209 HB -0.01 -0.02 0.10 -0.04 2.12 2.15 2yv5A1 VAL 209 HG13 -0.04 0.02 -0.16 -0.04 0.97 0.75 2yv5A1 VAL 209 HG23 -0.01 0.03 -0.07 -0.04 0.95 0.86 2yv5A1 ARG 210 H -0.02 0.13 0.16 -0.55 8.46 8.17 2yv5A1 ARG 210 HA -0.02 0.38 1.01 -0.75 4.34 4.96 2yv5A1 ARG 210 HB2 -0.01 -0.00 -0.11 -0.04 1.90 1.74 2yv5A1 ARG 210 HB3 -0.01 -0.09 0.08 -0.04 1.80 1.73 2yv5A1 ARG 210 HG2 0.00 -0.02 -0.33 -0.04 1.67 1.28 2yv5A1 ARG 210 HG3 -0.00 0.17 0.04 -0.04 1.67 1.84 2yv5A1 ARG 210 HD2 0.00 0.00 -0.05 -0.04 3.22 3.13 2yv5A1 ARG 210 HD3 -0.01 -0.03 -0.05 -0.04 3.22 3.09 2yv5A1 LEU 211 H -0.02 0.74 0.31 -0.55 8.37 8.85 2yv5A1 LEU 211 HA 0.03 0.14 0.68 -0.75 4.35 4.44 2yv5A1 LEU 211 HB2 -0.07 -0.03 0.15 -0.04 1.64 1.64 2yv5A1 LEU 211 HB3 0.07 -0.00 -0.16 -0.04 1.64 1.51 2yv5A1 LEU 211 HG -0.06 -0.07 -0.14 -0.04 1.64 1.32 2yv5A1 LEU 211 HD13 -0.17 0.03 -0.07 -0.04 0.93 0.69 2yv5A1 LEU 211 HD23 -0.01 0.01 -0.25 -0.04 0.89 0.60 2yv5A1 ILE 212 H 0.08 0.83 0.25 -0.55 8.25 8.86 2yv5A1 ILE 212 HA 0.07 0.18 0.84 -0.75 4.18 4.52 2yv5A1 ILE 212 HB 0.03 -0.03 0.10 -0.04 1.89 1.95 2yv5A1 ILE 212 HG12 0.01 -0.00 -0.13 -0.04 1.49 1.33 2yv5A1 ILE 212 HG13 0.01 -0.03 -0.17 -0.04 1.21 0.98 2yv5A1 ILE 212 HG23 0.03 0.06 -0.10 -0.04 0.93 0.88 2yv5A1 ILE 212 HD13 -0.02 -0.01 -0.12 -0.04 0.88 0.69 2yv5A1 PRO 213 HA -0.53 0.30 0.63 -0.51 4.44 4.33 2yv5A1 PRO 213 HB2 -0.05 -0.02 0.04 -0.04 2.28 2.21 2yv5A1 PRO 213 HB3 -0.39 0.03 0.06 -0.04 2.02 1.68 2yv5A1 PRO 213 HG2 0.11 0.01 0.06 -0.04 2.03 2.17 2yv5A1 PRO 213 HG3 0.01 0.02 0.01 -0.04 2.03 2.02 2yv5A1 PRO 213 HD2 0.06 0.06 0.23 -0.04 3.68 3.99 2yv5A1 PRO 213 HD3 0.10 0.29 0.29 -0.04 3.65 4.28 2yv5A1 PHE 214 H -0.49 0.72 0.25 -0.55 8.34 8.27 2yv5A1 PHE 214 HA -0.11 0.09 0.51 -0.75 4.62 4.36 2yv5A1 PHE 214 HB2 -0.07 0.17 0.11 -0.04 3.15 3.32 2yv5A1 PHE 214 HB3 -0.08 0.10 -0.38 -0.04 3.06 2.65 2yv5A1 PHE 214 HD2 -0.08 0.08 -0.24 -0.04 7.28 7.00 2yv5A1 PHE 214 HE2 -0.02 -0.00 -0.35 -0.04 7.38 6.96 2yv5A1 PHE 214 HZ 0.01 0.02 -0.19 -0.04 7.32 7.11 2yv5A1 GLY 215 H 0.08 0.19 0.13 -0.55 8.43 8.29 2yv5A1 GLY 215 HA2 -0.04 0.03 0.32 -0.51 4.01 3.81 2yv5A1 GLY 215 HA3 -0.21 0.02 0.33 -0.51 4.01 3.64 2yv5A1 LYS 216 H -0.23 0.19 0.07 -0.55 8.42 7.90 2yv5A1 LYS 216 HA -0.14 0.12 0.67 -0.75 4.32 4.22 2yv5A1 LYS 216 HB2 -0.17 0.04 0.22 -0.04 1.87 1.92 2yv5A1 LYS 216 HB3 -0.13 0.04 0.14 -0.04 1.79 1.80 2yv5A1 LYS 216 HG2 -0.08 0.03 -0.02 -0.04 1.46 1.35 2yv5A1 LYS 216 HG3 -0.09 -0.08 -0.03 -0.04 1.46 1.23 2yv5A1 LYS 216 HD2 -0.08 0.05 0.02 -0.04 1.69 1.64 2yv5A1 LYS 216 HD3 -0.08 0.02 0.02 -0.04 1.68 1.61 2yv5A1 LYS 216 HE2 -0.04 -0.00 -0.02 -0.04 2.99 2.89 2yv5A1 LYS 216 HE3 -0.04 -0.04 -0.04 -0.04 2.99 2.84 2yv5A1 GLY 217 H -0.23 0.41 0.00 -0.55 8.43 8.06 2yv5A1 GLY 217 HA2 -0.25 0.03 0.29 -0.51 4.01 3.57 2yv5A1 GLY 217 HA3 -0.15 0.01 0.40 -0.51 4.01 3.76 2yv5A1 SER 218 H -0.69 0.44 -0.15 -0.55 8.46 7.51 2yv5A1 SER 218 HA -0.31 0.27 0.83 -0.75 4.49 4.52 2yv5A1 SER 218 HB2 -1.96 -0.04 -0.15 -0.04 3.95 1.76 2yv5A1 SER 218 HB3 -0.44 0.11 0.08 -0.04 3.93 3.64 2yv5A1 PHE 219 H 0.07 0.69 0.32 -0.55 8.34 8.86 2yv5A1 PHE 219 HA 0.09 0.29 0.67 -0.75 4.62 4.91 2yv5A1 PHE 219 HB2 -0.01 -0.05 0.01 -0.04 3.15 3.05 2yv5A1 PHE 219 HB3 -0.04 -0.07 -0.21 -0.04 3.06 2.69 2yv5A1 PHE 219 HD2 -0.13 0.03 -0.32 -0.04 7.28 6.82 2yv5A1 PHE 219 HE2 -0.60 0.02 -0.15 -0.04 7.38 6.61 2yv5A1 PHE 219 HZ -0.36 -0.05 -0.15 -0.04 7.32 6.72 2yv5A1 VAL 220 H 0.25 0.56 0.23 -0.55 8.24 8.73 2yv5A1 VAL 220 HA 0.13 0.31 1.07 -0.75 4.13 4.89 2yv5A1 VAL 220 HB -0.01 -0.01 -0.21 -0.04 2.12 1.85 2yv5A1 VAL 220 HG13 -0.20 0.03 -0.11 -0.04 0.97 0.65 2yv5A1 VAL 220 HG23 -0.09 0.03 -0.15 -0.04 0.95 0.69 2yv5A1 GLY 221 H -0.00 0.45 0.35 -0.55 8.43 8.68 2yv5A1 GLY 221 HA2 -0.01 0.25 0.71 -0.51 4.01 4.46 2yv5A1 GLY 221 HA3 -0.04 0.02 0.45 -0.51 4.01 3.93 2yv5A1 ASP 222 H -0.02 0.44 0.37 -0.55 8.40 8.63 2yv5A1 ASP 222 HA -0.04 0.16 0.76 -0.75 4.63 4.74 2yv5A1 ASP 222 HB2 -0.03 0.04 0.17 -0.04 2.71 2.85 2yv5A1 ASP 222 HB3 -0.02 0.05 0.05 -0.04 2.70 2.73 2yv5A1 THR 223 H -0.05 0.14 -0.14 -0.55 8.28 7.69 2yv5A1 THR 223 HA -0.04 0.24 0.84 -0.75 4.39 4.68 2yv5A1 THR 223 HB -0.04 0.11 0.12 -0.04 4.32 4.47 2yv5A1 THR 223 HG23 -0.03 -0.00 -0.08 -0.04 1.22 1.07 2yv5A1 PRO 224 HA -0.08 0.13 0.72 -0.51 4.44 4.70 2yv5A1 PRO 224 HB2 -0.04 0.13 0.03 -0.04 2.28 2.35 2yv5A1 PRO 224 HB3 -0.05 -0.13 0.02 -0.04 2.02 1.82 2yv5A1 PRO 224 HG2 -0.03 0.08 0.01 -0.04 2.03 2.04 2yv5A1 PRO 224 HG3 -0.03 -0.08 0.01 -0.04 2.03 1.89 2yv5A1 PRO 224 HD2 -0.04 0.16 0.25 -0.04 3.68 4.02 2yv5A1 PRO 224 HD3 -0.04 0.09 0.14 -0.04 3.65 3.79 2yv5A1 GLY 225 H -0.10 0.60 0.30 -0.55 8.43 8.68 2yv5A1 GLY 225 HA2 -0.26 0.41 0.55 -0.51 4.01 4.20 2yv5A1 GLY 225 HA3 -0.17 -0.08 0.36 -0.51 4.01 3.61 2yv5A1 PHE 226 H -0.18 0.10 0.09 -0.55 8.34 7.79 2yv5A1 PHE 226 HA -0.02 0.08 0.36 -0.75 4.62 4.29 2yv5A1 PHE 226 HB2 0.00 -0.00 -0.03 -0.04 3.15 3.08 2yv5A1 PHE 226 HB3 -0.04 -0.08 -0.15 -0.04 3.06 2.75 2yv5A1 PHE 226 HD2 -0.43 0.01 -0.05 -0.04 7.28 6.76 2yv5A1 PHE 226 HE2 -0.49 0.05 -0.09 -0.04 7.38 6.81 2yv5A1 PHE 226 HZ -0.90 0.03 -0.06 -0.04 7.32 6.34 2yv5A1 SER 227 H 0.15 0.09 0.05 -0.55 8.46 8.20 2yv5A1 SER 227 HA 0.04 0.32 0.52 -0.75 4.49 4.62 2yv5A1 SER 227 HB2 0.02 -0.14 0.02 -0.04 3.95 3.81 2yv5A1 SER 227 HB3 0.03 0.12 0.01 -0.04 3.93 4.05 2yv5A1 LYS 228 H 0.03 0.29 0.12 -0.55 8.42 8.30 2yv5A1 LYS 228 HA -0.03 0.14 0.62 -0.75 4.32 4.29 2yv5A1 LYS 228 HB2 -0.01 -0.00 0.10 -0.04 1.87 1.92 2yv5A1 LYS 228 HB3 -0.03 0.02 -0.00 -0.04 1.79 1.73 2yv5A1 LYS 228 HG2 -0.03 0.05 0.04 -0.04 1.46 1.48 2yv5A1 LYS 228 HG3 -0.01 -0.08 -0.26 -0.04 1.46 1.06 2yv5A1 LYS 228 HD2 -0.01 0.01 -0.01 -0.04 1.69 1.64 2yv5A1 LYS 228 HD3 -0.01 0.00 -0.00 -0.04 1.68 1.63 2yv5A1 LYS 228 HE2 -0.01 -0.07 -0.00 -0.04 2.99 2.87 2yv5A1 LYS 228 HE3 -0.00 0.02 -0.00 -0.04 2.99 2.96 2yv5A1 VAL 229 H -0.09 0.28 0.08 -0.55 8.24 7.96 2yv5A1 VAL 229 HA -0.10 0.20 0.89 -0.75 4.13 4.36 2yv5A1 VAL 229 HB -0.33 -0.03 -0.25 -0.04 2.12 1.47 2yv5A1 VAL 229 HG13 -0.22 0.00 -0.21 -0.04 0.97 0.50 2yv5A1 VAL 229 HG23 -0.33 0.04 -0.14 -0.04 0.95 0.48 2yv5A1 GLU 230 H -0.09 0.23 0.11 -0.55 8.60 8.31 2yv5A1 GLU 230 HA -0.10 0.12 0.80 -0.75 4.29 4.35 2yv5A1 GLU 230 HB2 -0.08 0.02 0.14 -0.04 2.09 2.13 2yv5A1 GLU 230 HB3 -0.04 0.03 0.05 -0.04 1.99 1.98 2yv5A1 GLU 230 HG2 -0.02 0.02 -0.07 -0.04 2.34 2.22 2yv5A1 GLU 230 HG3 -0.04 -0.00 -0.04 -0.04 2.34 2.21 2yv5A1 ALA 231 H -0.09 0.19 0.14 -0.55 8.40 8.10 2yv5A1 ALA 231 HA -0.04 0.10 0.28 -0.75 4.34 3.92 2yv5A1 ALA 231 HB3 -0.01 0.04 0.12 -0.04 1.41 1.52 2yv5A1 THR 232 H -0.04 0.08 -0.19 -0.55 8.28 7.58 2yv5A1 THR 232 HA -0.07 0.40 0.51 -0.75 4.39 4.49 2yv5A1 THR 232 HB -0.05 0.02 0.13 -0.04 4.32 4.38 2yv5A1 THR 232 HG23 0.00 0.02 0.00 -0.04 1.22 1.21 2yv5A1 MET 233 H -0.14 0.44 -0.48 -0.55 8.47 7.74 2yv5A1 MET 233 HA -0.27 0.08 0.55 -0.75 4.52 4.12 2yv5A1 MET 233 HB2 -0.44 0.09 0.09 -0.04 2.15 1.84 2yv5A1 MET 233 HB3 -0.68 -0.00 0.05 -0.04 2.03 1.36 2yv5A1 MET 233 HG2 -0.19 0.02 0.01 -0.04 2.63 2.43 2yv5A1 MET 233 HG3 -0.16 -0.07 0.07 -0.04 2.56 2.36 2yv5A1 MET 233 HE3 -0.07 -0.02 0.02 -0.04 2.10 1.99 2yv5A1 PHE 234 H -0.13 0.30 -0.16 -0.55 8.34 7.80 2yv5A1 PHE 234 HA -0.17 0.20 0.86 -0.75 4.62 4.76 2yv5A1 PHE 234 HB2 -0.25 0.03 0.02 -0.04 3.15 2.91 2yv5A1 PHE 234 HB3 -0.30 0.02 0.01 -0.04 3.06 2.75 2yv5A1 PHE 234 HD2 -0.06 0.03 -0.05 -0.04 7.28 7.16 2yv5A1 PHE 234 HE2 -0.19 -0.04 -0.06 -0.04 7.38 7.05 2yv5A1 PHE 234 HZ -0.02 -0.02 -0.07 -0.04 7.32 7.18 2yv5A1 VAL 235 H -0.15 0.37 0.20 -0.55 8.24 8.11 2yv5A1 VAL 235 HA -0.41 0.20 0.96 -0.75 4.13 4.12 2yv5A1 VAL 235 HB -0.07 -0.09 -0.13 -0.04 2.12 1.79 2yv5A1 VAL 235 HG13 0.11 0.05 -0.23 -0.04 0.97 0.86 2yv5A1 VAL 235 HG23 -0.54 0.02 -0.20 -0.04 0.95 0.19 2yv5A1 LYS 236 H -0.05 0.15 0.06 -0.55 8.42 8.04 2yv5A1 LYS 236 HA -0.02 0.17 0.43 -0.75 4.32 4.14 2yv5A1 LYS 236 HB2 0.05 -0.06 0.07 -0.04 1.87 1.88 2yv5A1 LYS 236 HB3 0.02 -0.04 0.05 -0.04 1.79 1.78 2yv5A1 LYS 236 HG2 -0.01 0.07 0.01 -0.04 1.46 1.49 2yv5A1 LYS 236 HG3 0.01 0.05 0.05 -0.04 1.46 1.53 2yv5A1 LYS 236 HD2 0.04 0.00 -0.00 -0.04 1.69 1.69 2yv5A1 LYS 236 HD3 0.02 -0.03 0.01 -0.04 1.68 1.64 2yv5A1 LYS 236 HE2 0.02 -0.01 -0.00 -0.04 2.99 2.95 2yv5A1 LYS 236 HE3 0.01 0.02 -0.01 -0.04 2.99 2.97 2yv5A1 PRO 237 HA 0.05 0.08 0.40 -0.51 4.44 4.46 2yv5A1 PRO 237 HB2 0.01 -0.02 0.12 -0.04 2.28 2.35 2yv5A1 PRO 237 HB3 0.00 0.10 0.13 -0.04 2.02 2.21 2yv5A1 PRO 237 HG2 -0.01 0.05 0.12 -0.04 2.03 2.15 2yv5A1 PRO 237 HG3 -0.01 0.08 0.14 -0.04 2.03 2.20 2yv5A1 PRO 237 HD2 0.00 0.05 0.23 -0.04 3.68 3.92 2yv5A1 PRO 237 HD3 -0.02 0.24 0.28 -0.04 3.65 4.11 2yv5A1 ARG 238 H 0.04 0.13 -0.17 -0.55 8.46 7.91 2yv5A1 ARG 238 HA 0.07 0.09 0.38 -0.75 4.34 4.13 2yv5A1 ARG 238 HB2 0.04 0.04 0.09 -0.04 1.90 2.04 2yv5A1 ARG 238 HB3 0.03 -0.00 0.08 -0.04 1.80 1.87 2yv5A1 ARG 238 HG2 0.04 -0.07 -0.02 -0.04 1.67 1.57 2yv5A1 ARG 238 HG3 0.05 0.06 -0.23 -0.04 1.67 1.51 2yv5A1 ARG 238 HD2 0.03 0.03 -0.03 -0.04 3.22 3.20 2yv5A1 ARG 238 HD3 0.02 -0.01 -0.00 -0.04 3.22 3.19 2yv5A1 GLU 239 H 0.11 0.43 -0.63 -0.55 8.60 7.96 2yv5A1 GLU 239 HA 0.11 0.23 0.91 -0.75 4.29 4.78 2yv5A1 GLU 239 HB2 0.18 0.06 -0.02 -0.04 2.09 2.28 2yv5A1 GLU 239 HB3 0.23 0.03 0.06 -0.04 1.99 2.26 2yv5A1 GLU 239 HG2 0.09 0.04 -0.23 -0.04 2.34 2.19 2yv5A1 GLU 239 HG3 0.09 -0.09 -0.08 -0.04 2.34 2.21 2yv5A1 VAL 240 H 0.20 0.41 -0.15 -0.55 8.24 8.15 2yv5A1 VAL 240 HA 0.42 0.05 0.28 -0.75 4.13 4.13 2yv5A1 VAL 240 HB 0.30 0.13 0.10 -0.04 2.12 2.61 2yv5A1 VAL 240 HG13 0.51 -0.02 -0.15 -0.04 0.97 1.26 2yv5A1 VAL 240 HG23 0.15 0.02 -0.10 -0.04 0.95 0.97 2yv5A1 ARG 241 H 0.35 0.21 -0.35 -0.55 8.46 8.11 2yv5A1 ARG 241 HA 0.29 -0.01 0.29 -0.75 4.34 4.16 2yv5A1 ARG 241 HB2 0.34 -0.03 0.02 -0.04 1.90 2.18 2yv5A1 ARG 241 HB3 0.34 0.01 0.03 -0.04 1.80 2.14 2yv5A1 ARG 241 HG2 0.16 0.03 -0.10 -0.04 1.67 1.73 2yv5A1 ARG 241 HG3 0.14 0.05 -0.24 -0.04 1.67 1.58 2yv5A1 ARG 241 HD2 -0.11 0.07 -0.03 -0.04 3.22 3.11 2yv5A1 ARG 241 HD3 0.06 -0.07 0.01 -0.04 3.22 3.18 2yv5A1 ASN 242 H 0.04 0.47 -0.48 -0.55 8.53 8.02 2yv5A1 ASN 242 HA -0.01 0.07 0.44 -0.75 4.76 4.50 2yv5A1 ASN 242 HB2 -0.68 0.13 0.03 -0.04 2.88 2.32 2yv5A1 ASN 242 HB3 -0.33 -0.02 0.10 -0.04 2.79 2.50 2yv5A1 ASN 242 HD21 0.01 -0.02 0.03 -0.04 7.03 7.02 2yv5A1 ASN 242 HD22 -0.06 0.01 0.06 -0.04 7.74 7.72 2yv5A1 TYR 243 H 0.17 0.52 -0.45 -0.55 8.29 7.98 2yv5A1 TYR 243 HA 0.11 0.23 0.84 -0.75 4.56 4.98 2yv5A1 TYR 243 HB2 0.14 0.04 0.09 -0.04 3.06 3.29 2yv5A1 TYR 243 HB3 0.09 -0.03 0.21 -0.04 2.98 3.21 2yv5A1 TYR 243 HD2 0.13 -0.02 -0.16 -0.04 7.15 7.05 2yv5A1 TYR 243 HE2 0.13 0.00 -0.13 -0.04 6.85 6.81 2yv5A1 PHE 244 H 0.21 0.36 -0.22 -0.55 8.34 8.13 2yv5A1 PHE 244 HA -0.07 0.09 0.75 -0.75 4.62 4.64 2yv5A1 PHE 244 HB2 -0.88 0.12 0.15 -0.04 3.15 2.50 2yv5A1 PHE 244 HB3 -1.39 -0.15 0.02 -0.04 3.06 1.49 2yv5A1 PHE 244 HD2 -0.19 0.04 -0.12 -0.04 7.28 6.97 2yv5A1 PHE 244 HE2 0.16 -0.01 -0.05 -0.04 7.38 7.44 2yv5A1 PHE 244 HZ 0.16 -0.06 -0.20 -0.04 7.32 7.18 2yv5A1 ARG 245 H 0.01 0.22 0.03 -0.55 8.46 8.17 2yv5A1 ARG 245 HA 0.01 0.10 0.21 -0.75 4.34 3.91 2yv5A1 ARG 245 HB2 -0.17 0.01 0.09 -0.04 1.90 1.79 2yv5A1 ARG 245 HB3 -0.22 0.06 0.13 -0.04 1.80 1.73 2yv5A1 ARG 245 HG2 -0.16 0.13 -0.01 -0.04 1.67 1.59 2yv5A1 ARG 245 HG3 -0.11 -0.06 0.08 -0.04 1.67 1.54 2yv5A1 ARG 245 HD2 -1.02 -0.07 -0.18 -0.04 3.22 1.91 2yv5A1 ARG 245 HD3 -0.29 0.08 0.04 -0.04 3.22 3.01 2yv5A1 GLU 246 H 0.04 0.01 -0.11 -0.55 8.60 7.99 2yv5A1 GLU 246 HA 0.09 0.21 0.53 -0.75 4.29 4.37 2yv5A1 GLU 246 HB2 0.17 0.06 0.16 -0.04 2.09 2.43 2yv5A1 GLU 246 HB3 0.09 0.10 0.19 -0.04 1.99 2.34 2yv5A1 GLU 246 HG2 0.34 0.00 -0.24 -0.04 2.34 2.40 2yv5A1 GLU 246 HG3 0.21 -0.05 -0.00 -0.04 2.34 2.45 2yv5A1 PHE 247 H 0.19 0.47 -0.33 -0.55 8.34 8.12 2yv5A1 PHE 247 HA 0.12 0.02 0.60 -0.75 4.62 4.59 2yv5A1 PHE 247 HB2 0.09 0.34 0.10 -0.04 3.15 3.64 2yv5A1 PHE 247 HB3 -0.02 -0.07 0.01 -0.04 3.06 2.93 2yv5A1 PHE 247 HD2 -0.08 0.06 -0.11 -0.04 7.28 7.11 2yv5A1 PHE 247 HE2 -0.94 -0.02 -0.08 -0.04 7.38 6.30 2yv5A1 PHE 247 HZ -0.34 -0.02 -0.05 -0.04 7.32 6.87 2yv5A1 LEU 248 H 0.17 0.41 -0.21 -0.55 8.37 8.20 2yv5A1 LEU 248 HA 0.13 0.02 0.24 -0.75 4.35 3.98 2yv5A1 LEU 248 HB2 0.04 0.13 0.10 -0.04 1.64 1.87 2yv5A1 LEU 248 HB3 0.04 -0.03 0.01 -0.04 1.64 1.62 2yv5A1 LEU 248 HG 0.09 0.07 0.01 -0.04 1.64 1.77 2yv5A1 LEU 248 HD13 0.03 0.02 -0.00 -0.04 0.93 0.93 2yv5A1 LEU 248 HD23 0.07 0.02 -0.05 -0.04 0.89 0.89 2yv5A1 ARG 249 H -0.02 0.22 -0.28 -0.55 8.46 7.83 2yv5A1 ARG 249 HA -0.08 0.11 0.41 -0.75 4.34 4.02 2yv5A1 ARG 249 HB2 -0.26 -0.01 0.03 -0.04 1.90 1.63 2yv5A1 ARG 249 HB3 -0.15 0.06 0.07 -0.04 1.80 1.74 2yv5A1 ARG 249 HG2 -0.29 0.14 0.02 -0.04 1.67 1.49 2yv5A1 ARG 249 HG3 -1.22 -0.08 -0.08 -0.04 1.67 0.25 2yv5A1 ARG 249 HD2 -0.23 0.03 -0.01 -0.04 3.22 2.96 2yv5A1 ARG 249 HD3 -0.42 0.03 -0.02 -0.04 3.22 2.76 2yv5A1 TYR 250 H -0.04 0.30 -0.19 -0.55 8.29 7.81 2yv5A1 TYR 250 HA 0.12 0.06 0.50 -0.75 4.56 4.49 2yv5A1 TYR 250 HB2 -0.02 0.17 0.12 -0.04 3.06 3.29 2yv5A1 TYR 250 HB3 0.10 -0.15 0.01 -0.04 2.98 2.89 2yv5A1 TYR 250 HD2 0.04 0.04 0.04 -0.04 7.15 7.22 2yv5A1 TYR 250 HE2 0.01 0.08 -0.02 -0.04 6.85 6.88 2yv5A1 GLN 251 H 0.20 0.51 -0.11 -0.55 8.47 8.53 2yv5A1 GLN 251 HA 0.21 0.10 0.17 -0.75 4.36 4.08 2yv5A1 GLN 251 HB2 0.13 0.10 -0.05 -0.04 2.15 2.29 2yv5A1 GLN 251 HB3 0.13 0.04 -0.01 -0.04 2.02 2.13 2yv5A1 GLN 251 HG2 0.33 -0.09 -0.07 -0.04 2.40 2.54 2yv5A1 GLN 251 HG3 0.25 0.32 -0.15 -0.04 2.39 2.76 2yv5A1 GLN 251 HE21 0.18 0.17 -0.19 -0.04 6.97 7.08 2yv5A1 GLN 251 HE22 0.15 -0.02 -0.14 -0.04 7.69 7.64 2yv5A1 CYS 252 H 0.04 0.25 -0.79 -0.55 8.50 7.46 2yv5A1 CYS 252 HA 0.00 0.05 0.40 -0.75 4.58 4.28 2yv5A1 CYS 252 HB2 -0.01 0.12 0.11 -0.04 2.97 3.14 2yv5A1 CYS 252 HB3 -0.04 0.08 0.06 -0.04 2.97 3.02 2yv5A1 LYS 253 H -0.04 0.34 -0.20 -0.55 8.42 7.98 2yv5A1 LYS 253 HA -0.20 0.15 0.81 -0.75 4.32 4.33 2yv5A1 LYS 253 HB2 -0.20 -0.00 0.06 -0.04 1.87 1.68 2yv5A1 LYS 253 HB3 -0.38 0.03 0.12 -0.04 1.79 1.52 2yv5A1 LYS 253 HG2 -1.35 -0.05 -0.08 -0.04 1.46 -0.06 2yv5A1 LYS 253 HG3 -0.38 -0.00 0.12 -0.04 1.46 1.16 2yv5A1 LYS 253 HD2 -0.14 0.02 0.02 -0.04 1.69 1.55 2yv5A1 LYS 253 HD3 -0.14 -0.03 0.00 -0.04 1.68 1.47 2yv5A1 LYS 253 HE2 -0.08 -0.04 0.00 -0.04 2.99 2.84 2yv5A1 LYS 253 HE3 -0.13 0.01 0.03 -0.04 2.99 2.85 2yv5A1 TYR 254 H 0.06 0.47 -0.11 -0.55 8.29 8.16 2yv5A1 TYR 254 HA 0.03 0.13 0.77 -0.75 4.56 4.73 2yv5A1 TYR 254 HB2 0.09 0.02 0.12 -0.04 3.06 3.25 2yv5A1 TYR 254 HB3 0.03 -0.16 0.13 -0.04 2.98 2.95 2yv5A1 TYR 254 HD2 0.07 0.04 0.02 -0.04 7.15 7.24 2yv5A1 TYR 254 HE2 0.07 0.01 -0.01 -0.04 6.85 6.87 2yv5A1 PRO 255 HA 0.06 0.23 0.42 -0.51 4.44 4.64 2yv5A1 PRO 255 HB2 0.03 -0.07 -0.01 -0.04 2.28 2.19 2yv5A1 PRO 255 HB3 0.02 0.04 0.08 -0.04 2.02 2.12 2yv5A1 PRO 255 HG2 -0.00 -0.01 -0.00 -0.04 2.03 1.98 2yv5A1 PRO 255 HG3 0.00 0.23 -0.04 -0.04 2.03 2.19 2yv5A1 PRO 255 HD2 0.03 -0.01 0.03 -0.04 3.68 3.68 2yv5A1 PRO 255 HD3 -0.03 0.24 -0.69 -0.04 3.65 3.13 2yv5A1 ASP 256 H 0.06 0.03 -0.28 -0.55 8.40 7.66 2yv5A1 ASP 256 HA 0.01 0.30 0.83 -0.75 4.63 5.02 2yv5A1 ASP 256 HB2 0.03 -0.05 -0.02 -0.04 2.71 2.62 2yv5A1 ASP 256 HB3 0.01 -0.02 0.09 -0.04 2.70 2.74 2yv5A1 CYS 257 H 0.05 0.34 -0.19 -0.55 8.50 8.15 2yv5A1 CYS 257 HA -0.06 -0.04 0.44 -0.75 4.58 4.17 2yv5A1 CYS 257 HB2 0.02 0.02 0.09 -0.04 2.97 3.06 2yv5A1 CYS 257 HB3 0.03 0.16 0.12 -0.04 2.97 3.23 2yv5A1 THR 258 H -0.13 0.03 0.22 -0.55 8.28 7.85 2yv5A1 THR 258 HA -0.26 0.30 0.58 -0.75 4.39 4.25 2yv5A1 THR 258 HB 0.01 0.06 0.10 -0.04 4.32 4.45 2yv5A1 THR 258 HG23 -0.03 0.06 0.04 -0.04 1.22 1.26 2yv5A1 HIS 259 H -0.23 -0.02 -0.19 -0.55 8.41 7.43 2yv5A1 HIS 259 HA -0.07 -0.09 0.24 -0.75 4.63 3.95 2yv5A1 HIS 259 HB2 0.11 0.19 0.15 -0.04 3.26 3.67 2yv5A1 HIS 259 HB3 -0.17 -0.10 0.08 -0.04 3.20 2.96 2yv5A1 HIS 259 HD2 -0.55 0.03 -0.14 -0.04 6.97 6.26 2yv5A1 HIS 259 HE1 -0.06 0.03 -0.09 -0.04 7.75 7.59 2yv5A1 THR 260 H 0.03 -0.16 -0.27 -0.55 8.28 7.32 2yv5A1 THR 260 HA 0.09 0.30 0.90 -0.75 4.39 4.93 2yv5A1 THR 260 HB -0.01 0.05 0.02 -0.04 4.32 4.34 2yv5A1 THR 260 HG23 0.02 0.09 -0.20 -0.04 1.22 1.09 2yv5A1 ASN 261 H -0.01 0.14 0.08 -0.55 8.53 8.20 2yv5A1 ASN 261 HA -0.02 0.21 0.55 -0.75 4.76 4.75 2yv5A1 ASN 261 HB2 -0.02 0.04 0.12 -0.04 2.88 2.97 2yv5A1 ASN 261 HB3 -0.02 0.04 0.05 -0.04 2.79 2.81 2yv5A1 ASN 261 HD21 -0.01 0.04 0.01 -0.04 7.03 7.03 2yv5A1 ASN 261 HD22 -0.01 0.04 0.02 -0.04 7.74 7.74 2yv5A1 GLU 262 H -0.02 -0.12 -0.24 -0.55 8.60 7.68 2yv5A1 GLU 262 HA -0.03 0.17 0.47 -0.75 4.29 4.14 2yv5A1 GLU 262 HB2 -0.05 -0.11 0.10 -0.04 2.09 1.98 2yv5A1 GLU 262 HB3 -0.06 0.04 0.01 -0.04 1.99 1.94 2yv5A1 GLU 262 HG2 -0.04 0.08 0.04 -0.04 2.34 2.38 2yv5A1 GLU 262 HG3 -0.03 0.12 0.02 -0.04 2.34 2.42 2yv5A1 PRO 263 HA -0.04 0.12 0.38 -0.51 4.44 4.39 2yv5A1 PRO 263 HB2 -0.03 0.05 0.01 -0.04 2.28 2.26 2yv5A1 PRO 263 HB3 -0.03 0.06 0.13 -0.04 2.02 2.13 2yv5A1 PRO 263 HG2 -0.04 -0.02 0.06 -0.04 2.03 2.00 2yv5A1 PRO 263 HG3 -0.03 0.07 0.08 -0.04 2.03 2.11 2yv5A1 PRO 263 HD2 -0.03 0.01 0.21 -0.04 3.68 3.82 2yv5A1 PRO 263 HD3 -0.03 0.25 0.29 -0.04 3.65 4.12 2yv5A1 GLY 264 H -0.07 0.06 -0.24 -0.55 8.43 7.63 2yv5A1 GLY 264 HA2 -0.08 0.26 0.74 -0.51 4.01 4.42 2yv5A1 GLY 264 HA3 -0.08 0.02 0.25 -0.51 4.01 3.69 2yv5A1 CYS 265 H -0.11 0.35 -0.39 -0.55 8.50 7.80 2yv5A1 CYS 265 HA -0.22 -0.00 0.34 -0.75 4.58 3.94 2yv5A1 CYS 265 HB2 -0.08 -0.01 0.06 -0.04 2.97 2.90 2yv5A1 CYS 265 HB3 -0.12 0.15 0.04 -0.04 2.97 3.00 2yv5A1 ALA 266 H -0.40 0.16 0.19 -0.55 8.40 7.81 2yv5A1 ALA 266 HA -0.25 0.16 0.47 -0.75 4.34 3.97 2yv5A1 ALA 266 HB3 -0.14 0.04 0.09 -0.04 1.41 1.36 2yv5A1 VAL 267 H -0.44 0.06 -0.15 -0.55 8.24 7.15 2yv5A1 VAL 267 HA -0.88 0.16 0.47 -0.75 4.13 3.13 2yv5A1 VAL 267 HB -0.71 -0.08 0.04 -0.04 2.12 1.33 2yv5A1 VAL 267 HG13 -0.98 0.03 -0.18 -0.04 0.97 -0.20 2yv5A1 VAL 267 HG23 -1.13 0.03 0.01 -0.04 0.95 -0.17 2yv5A1 LYS 268 H -0.38 0.05 -0.28 -0.55 8.42 7.26 2yv5A1 LYS 268 HA -0.58 0.06 0.36 -0.75 4.32 3.41 2yv5A1 LYS 268 HB2 -0.21 0.11 -0.01 -0.04 1.87 1.72 2yv5A1 LYS 268 HB3 -0.19 0.04 -0.09 -0.04 1.79 1.51 2yv5A1 LYS 268 HG2 -0.45 -0.00 -0.06 -0.04 1.46 0.91 2yv5A1 LYS 268 HG3 -0.20 -0.10 -0.07 -0.04 1.46 1.05 2yv5A1 LYS 268 HD2 -0.04 -0.03 -0.10 -0.04 1.69 1.48 2yv5A1 LYS 268 HD3 0.10 0.07 -0.11 -0.04 1.68 1.70 2yv5A1 LYS 268 HE2 -0.04 -0.21 -0.12 -0.04 2.99 2.58 2yv5A1 LYS 268 HE3 -0.07 0.02 -0.10 -0.04 2.99 2.80 2yv5A1 GLU 269 H -0.27 0.39 -0.34 -0.55 8.60 7.84 2yv5A1 GLU 269 HA -0.13 0.06 0.39 -0.75 4.29 3.85 2yv5A1 GLU 269 HB2 -0.14 0.07 0.02 -0.04 2.09 2.00 2yv5A1 GLU 269 HB3 -0.18 0.08 0.12 -0.04 1.99 1.96 2yv5A1 GLU 269 HG2 -0.07 -0.01 -0.14 -0.04 2.34 2.08 2yv5A1 GLU 269 HG3 -0.07 -0.01 0.02 -0.04 2.34 2.23 2yv5A1 ALA 270 H -0.35 0.40 -0.34 -0.55 8.40 7.57 2yv5A1 ALA 270 HA -0.09 0.03 0.33 -0.75 4.34 3.86 2yv5A1 ALA 270 HB3 -0.30 0.04 0.08 -0.04 1.41 1.18 2yv5A1 VAL 271 H -0.27 0.47 -0.26 -0.55 8.24 7.62 2yv5A1 VAL 271 HA -0.07 0.21 0.46 -0.75 4.13 3.96 2yv5A1 VAL 271 HB -0.29 0.11 0.14 -0.04 2.12 2.04 2yv5A1 VAL 271 HG13 -0.02 -0.01 -0.22 -0.04 0.97 0.69 2yv5A1 VAL 271 HG23 -0.36 0.03 -0.13 -0.04 0.95 0.45 2yv5A1 LYS 272 H -0.13 0.54 -0.11 -0.55 8.42 8.16 2yv5A1 LYS 272 HA -0.05 0.13 0.48 -0.75 4.32 4.13 2yv5A1 LYS 272 HB2 -0.08 -0.03 0.14 -0.04 1.87 1.86 2yv5A1 LYS 272 HB3 -0.08 0.11 0.18 -0.04 1.79 1.97 2yv5A1 LYS 272 HG2 -0.04 -0.07 -0.01 -0.04 1.46 1.30 2yv5A1 LYS 272 HG3 -0.04 -0.01 -0.14 -0.04 1.46 1.23 2yv5A1 LYS 272 HD2 -0.03 0.05 0.19 -0.04 1.69 1.86 2yv5A1 LYS 272 HD3 -0.04 -0.03 0.06 -0.04 1.68 1.63 2yv5A1 LYS 272 HE2 -0.03 -0.07 -0.00 -0.04 2.99 2.85 2yv5A1 LYS 272 HE3 -0.02 -0.05 0.02 -0.04 2.99 2.89 2yv5A1 ASN 273 H -0.06 0.45 -0.24 -0.55 8.53 8.14 2yv5A1 ASN 273 HA -0.02 0.12 0.67 -0.75 4.76 4.78 2yv5A1 ASN 273 HB2 -0.03 0.01 0.09 -0.04 2.88 2.91 2yv5A1 ASN 273 HB3 -0.01 -0.04 0.15 -0.04 2.79 2.85 2yv5A1 ASN 273 HD21 -0.04 -0.08 -0.02 -0.04 7.03 6.85 2yv5A1 ASN 273 HD22 -0.05 0.34 0.01 -0.04 7.74 7.99 2yv5A1 GLY 274 H -0.03 0.43 -0.47 -0.55 8.43 7.82 2yv5A1 GLY 274 HA2 -0.01 -0.00 0.32 -0.51 4.01 3.81 2yv5A1 GLY 274 HA3 -0.01 0.05 0.47 -0.51 4.01 4.01 2yv5A1 GLU 275 H -0.01 0.43 -0.09 -0.55 8.60 8.38 2yv5A1 GLU 275 HA 0.03 0.12 0.59 -0.75 4.29 4.28 2yv5A1 GLU 275 HB2 0.05 -0.07 0.05 -0.04 2.09 2.07 2yv5A1 GLU 275 HB3 0.09 -0.01 0.05 -0.04 1.99 2.08 2yv5A1 GLU 275 HG2 0.04 0.01 -0.03 -0.04 2.34 2.31 2yv5A1 GLU 275 HG3 0.02 0.07 -0.15 -0.04 2.34 2.24 2yv5A1 ILE 276 H 0.00 0.34 -0.24 -0.55 8.25 7.81 2yv5A1 ILE 276 HA 0.09 0.16 0.67 -0.75 4.18 4.35 2yv5A1 ILE 276 HB -0.05 -0.04 -0.18 -0.04 1.89 1.58 2yv5A1 ILE 276 HG12 0.18 0.10 -0.05 -0.04 1.49 1.68 2yv5A1 ILE 276 HG13 0.09 -0.03 -0.36 -0.04 1.21 0.87 2yv5A1 ILE 276 HG23 0.20 -0.01 -0.17 -0.04 0.93 0.92 2yv5A1 ILE 276 HD13 0.09 0.01 -0.09 -0.04 0.88 0.85 2yv5A1 SER 277 H 0.10 0.13 0.05 -0.55 8.46 8.19 2yv5A1 SER 277 HA 0.04 0.24 0.50 -0.75 4.49 4.52 2yv5A1 SER 277 HB2 0.04 -0.07 0.12 -0.04 3.95 4.00 2yv5A1 SER 277 HB3 0.03 0.20 0.10 -0.04 3.93 4.22 2yv5A1 CYS 278 H 0.06 0.25 0.21 -0.55 8.50 8.47 2yv5A1 CYS 278 HA 0.17 0.13 0.42 -0.75 4.58 4.55 2yv5A1 CYS 278 HB2 0.06 -0.03 0.14 -0.04 2.97 3.10 2yv5A1 CYS 278 HB3 0.10 0.02 -0.02 -0.04 2.97 3.03 2yv5A1 GLU 279 H 0.11 0.10 -0.17 -0.55 8.60 8.10 2yv5A1 GLU 279 HA 0.21 0.10 0.39 -0.75 4.29 4.24 2yv5A1 GLU 279 HB2 0.22 -0.02 0.06 -0.04 2.09 2.31 2yv5A1 GLU 279 HB3 0.48 0.02 -0.06 -0.04 1.99 2.39 2yv5A1 GLU 279 HG2 0.24 0.03 0.00 -0.04 2.34 2.58 2yv5A1 GLU 279 HG3 0.20 0.02 0.01 -0.04 2.34 2.53 2yv5A1 ARG 280 H 0.21 0.11 -0.25 -0.55 8.46 7.98 2yv5A1 ARG 280 HA 0.36 0.06 0.41 -0.75 4.34 4.41 2yv5A1 ARG 280 HB2 0.25 0.07 0.08 -0.04 1.90 2.25 2yv5A1 ARG 280 HB3 0.38 0.04 -0.02 -0.04 1.80 2.15 2yv5A1 ARG 280 HG2 0.12 -0.12 -0.03 -0.04 1.67 1.60 2yv5A1 ARG 280 HG3 0.07 0.08 0.01 -0.04 1.67 1.78 2yv5A1 ARG 280 HD2 0.25 -0.03 0.00 -0.04 3.22 3.40 2yv5A1 ARG 280 HD3 -0.10 0.03 -0.05 -0.04 3.22 3.06 2yv5A1 TYR 281 H 0.33 0.51 -0.17 -0.55 8.29 8.41 2yv5A1 TYR 281 HA 0.24 0.05 0.38 -0.75 4.56 4.47 2yv5A1 TYR 281 HB2 0.12 0.05 -0.00 -0.04 3.06 3.18 2yv5A1 TYR 281 HB3 0.10 0.04 0.08 -0.04 2.98 3.15 2yv5A1 TYR 281 HD2 0.07 -0.00 -0.05 -0.04 7.15 7.13 2yv5A1 TYR 281 HE2 0.01 0.03 -0.02 -0.04 6.85 6.83 2yv5A1 LYS 282 H 0.18 0.66 -0.17 -0.55 8.42 8.54 2yv5A1 LYS 282 HA -0.10 0.02 0.40 -0.75 4.32 3.88 2yv5A1 LYS 282 HB2 0.13 0.10 0.14 -0.04 1.87 2.19 2yv5A1 LYS 282 HB3 0.05 -0.06 0.01 -0.04 1.79 1.75 2yv5A1 LYS 282 HG2 0.04 -0.04 0.03 -0.04 1.46 1.45 2yv5A1 LYS 282 HG3 0.11 0.06 0.07 -0.04 1.46 1.66 2yv5A1 LYS 282 HD2 0.11 -0.03 -0.10 -0.04 1.69 1.62 2yv5A1 LYS 282 HD3 0.07 -0.03 -0.02 -0.04 1.68 1.65 2yv5A1 LYS 282 HE2 0.06 0.01 -0.03 -0.04 2.99 2.99 2yv5A1 LYS 282 HE3 0.09 -0.01 -0.03 -0.04 2.99 2.99 2yv5A1 SER 283 H 0.23 0.42 -0.28 -0.55 8.46 8.28 2yv5A1 SER 283 HA 0.35 -0.03 0.45 -0.75 4.49 4.51 2yv5A1 SER 283 HB2 0.43 0.15 0.17 -0.04 3.95 4.66 2yv5A1 SER 283 HB3 0.41 -0.03 0.01 -0.04 3.93 4.29 2yv5A1 TYR 284 H 0.16 0.51 -0.18 -0.55 8.29 8.23 2yv5A1 TYR 284 HA -0.13 -0.00 0.40 -0.75 4.56 4.07 2yv5A1 TYR 284 HB2 -1.17 -0.03 0.08 -0.04 3.06 1.91 2yv5A1 TYR 284 HB3 -0.22 0.21 0.22 -0.04 2.98 3.14 2yv5A1 TYR 284 HD2 -0.20 -0.00 -0.05 -0.04 7.15 6.86 2yv5A1 TYR 284 HE2 0.15 0.04 -0.07 -0.04 6.85 6.93 2yv5A1 LEU 285 H -0.20 0.47 -0.08 -0.55 8.37 8.01 2yv5A1 LEU 285 HA -0.44 0.02 0.39 -0.75 4.35 3.55 2yv5A1 LEU 285 HB2 -0.20 0.04 0.16 -0.04 1.64 1.60 2yv5A1 LEU 285 HB3 -0.18 0.21 0.10 -0.04 1.64 1.73 2yv5A1 LEU 285 HG -0.69 0.13 0.07 -0.04 1.64 1.11 2yv5A1 LEU 285 HD13 -0.33 -0.04 -0.02 -0.04 0.93 0.50 2yv5A1 LEU 285 HD23 -0.20 0.02 0.00 -0.04 0.89 0.67 2yv5A1 LYS 286 H -0.03 0.52 -0.17 -0.55 8.42 8.19 2yv5A1 LYS 286 HA -0.05 0.02 0.43 -0.75 4.32 3.95 2yv5A1 LYS 286 HB2 -0.11 0.04 0.13 -0.04 1.87 1.89 2yv5A1 LYS 286 HB3 0.10 0.06 0.16 -0.04 1.79 2.07 2yv5A1 LYS 286 HG2 -0.25 -0.00 -0.14 -0.04 1.46 1.03 2yv5A1 LYS 286 HG3 -0.19 -0.01 0.05 -0.04 1.46 1.27 2yv5A1 LYS 286 HD2 -0.41 0.00 -0.01 -0.04 1.69 1.23 2yv5A1 LYS 286 HD3 -1.68 -0.06 -0.01 -0.04 1.68 -0.12 2yv5A1 LYS 286 HE2 -0.53 -0.00 -0.03 -0.04 2.99 2.39 2yv5A1 LYS 286 HE3 -0.28 0.02 -0.01 -0.04 2.99 2.68 2yv5A1 ILE 287 H 0.15 0.60 -0.11 -0.55 8.25 8.34 2yv5A1 ILE 287 HA 0.17 -0.04 0.45 -0.75 4.18 4.01 2yv5A1 ILE 287 HB 0.12 0.19 0.18 -0.04 1.89 2.35 2yv5A1 ILE 287 HG12 0.02 -0.16 0.08 -0.04 1.49 1.40 2yv5A1 ILE 287 HG13 0.31 0.11 0.11 -0.04 1.21 1.70 2yv5A1 ILE 287 HG23 0.09 -0.04 -0.09 -0.04 0.93 0.85 2yv5A1 ILE 287 HD13 0.23 -0.02 -0.09 -0.04 0.88 0.96 2yv5A1 ILE 288 H -0.17 0.47 -0.13 -0.55 8.25 7.87 2yv5A1 ILE 288 HA -0.04 0.09 0.68 -0.75 4.18 4.16 2yv5A1 ILE 288 HB -0.10 -0.06 0.10 -0.04 1.89 1.78 2yv5A1 ILE 288 HG12 -0.55 0.25 0.10 -0.04 1.49 1.24 2yv5A1 ILE 288 HG13 -0.24 -0.02 -0.18 -0.04 1.21 0.73 2yv5A1 ILE 288 HG23 -0.10 -0.00 0.02 -0.04 0.93 0.81 2yv5A1 ILE 288 HD13 -0.43 -0.03 -0.08 -0.04 0.88 0.30 2yv5A1 LYS 289 H -0.05 0.24 -0.71 -0.55 8.42 7.35 2yv5A1 LYS 289 HA -0.03 0.02 0.30 -0.75 4.32 3.86 2yv5A1 LYS 289 HB2 -0.02 0.12 -0.09 -0.04 1.87 1.83 2yv5A1 LYS 289 HB3 -0.02 -0.10 0.16 -0.04 1.79 1.79 2yv5A1 LYS 289 HG2 -0.01 0.02 0.03 -0.04 1.46 1.46 2yv5A1 LYS 289 HG3 -0.01 0.13 -0.20 -0.04 1.46 1.34 2yv5A1 LYS 289 HD2 -0.01 -0.01 -0.04 -0.04 1.69 1.59 2yv5A1 LYS 289 HD3 -0.02 -0.06 0.01 -0.04 1.68 1.57 2yv5A1 LYS 289 HE2 -0.00 -0.03 0.01 -0.04 2.99 2.93 2yv5A1 LYS 289 HE3 0.00 0.03 0.01 -0.04 2.99 2.99 2yv5A1 VAL 290 H -0.09 0.63 0.02 -0.55 8.24 8.26 2yv5A1 VAL 290 HA -0.01 0.15 0.88 -0.75 4.13 4.39 2yv5A1 VAL 290 HB -0.13 -0.01 0.03 -0.04 2.12 1.97 2yv5A1 VAL 290 HG13 -0.06 -0.05 -0.25 -0.04 0.97 0.57 2yv5A1 VAL 290 HG23 -0.06 0.04 -0.19 -0.04 0.95 0.69 2yv5A1 TYR 291 H 0.09 0.23 0.10 -0.55 8.29 8.16 2yv5A1 TYR 291 HA -0.05 0.15 0.82 -0.75 4.56 4.73 2yv5A1 TYR 291 HB2 -0.04 0.05 -0.03 -0.04 3.06 3.00 2yv5A1 TYR 291 HB3 -0.03 0.01 0.10 -0.04 2.98 3.02 2yv5A1 TYR 291 HD2 -0.02 0.02 -0.05 -0.04 7.15 7.05 2yv5A1 TYR 291 HE2 -0.01 0.02 -0.09 -0.04 6.85 6.73 2yv5A1 LEU 292 H -0.32 0.24 0.06 -0.55 8.37 7.81 2yv5A1 LEU 292 HA -0.35 0.21 0.94 -0.75 4.35 4.39 2yv5A1 LEU 292 HB2 -0.13 0.02 0.08 -0.04 1.64 1.58 2yv5A1 LEU 292 HB3 -0.12 -0.12 -0.06 -0.04 1.64 1.29 2yv5A1 LEU 292 HG -0.08 0.01 -0.29 -0.04 1.64 1.23 2yv5A1 LEU 292 HD13 0.06 0.03 -0.05 -0.04 0.93 0.92 2yv5A1 LEU 292 HD23 -0.07 -0.01 -0.19 -0.04 0.89 0.58 2yv5A1 GLU 293 H -0.39 0.25 0.10 -0.55 8.60 8.00 2yv5A1 GLU 293 HA -0.25 0.10 0.38 -0.75 4.29 3.78 2yv5A1 GLU 293 HB2 -0.09 -0.01 0.08 -0.04 2.09 2.02 2yv5A1 GLU 293 HB3 -0.03 0.05 0.02 -0.04 1.99 1.99 2yv5A1 GLU 293 HG2 0.06 0.03 0.03 -0.04 2.34 2.43 2yv5A1 GLU 293 HG3 -0.13 -0.01 0.08 -0.04 2.34 2.23 2yv5A1 GLU 294 H -0.12 0.09 -0.21 -0.55 8.60 7.82 2yv5A1 GLU 294 HA -0.03 0.08 0.33 -0.75 4.29 3.91 2yv5A1 GLU 294 HB2 -0.04 0.04 0.05 -0.04 2.09 2.09 2yv5A1 GLU 294 HB3 -0.04 0.01 -0.04 -0.04 1.99 1.88 2yv5A1 GLU 294 HG2 -0.01 -0.03 -0.28 -0.04 2.34 1.99 2yv5A1 GLU 294 HG3 -0.03 -0.00 0.02 -0.04 2.34 2.30 2yv5A1 ILE 295 H -0.07 0.41 -0.53 -0.55 8.25 7.51 2yv5A1 ILE 295 HA 0.07 0.00 0.33 -0.75 4.18 3.83 2yv5A1 ILE 295 HB -0.00 0.00 0.11 -0.04 1.89 1.96 2yv5A1 ILE 295 HG12 0.05 0.00 0.00 -0.04 1.49 1.51 2yv5A1 ILE 295 HG13 0.07 0.00 -0.01 -0.04 1.21 1.24 2yv5A1 ILE 295 HG23 0.02 0.06 -0.04 -0.04 0.93 0.93 2yv5A1 ILE 295 HD13 0.19 -0.01 0.00 -0.04 0.88 1.02 2yv5A1 LYS 296 H 0.00 0.43 -0.22 -0.55 8.42 8.08 2yv5A1 LYS 296 HA 0.03 0.13 0.42 -0.75 4.32 4.14 2yv5A1 LYS 296 HB2 0.01 0.03 0.06 -0.04 1.87 1.93 2yv5A1 LYS 296 HB3 0.02 0.00 0.03 -0.04 1.79 1.80 2yv5A1 LYS 296 HG2 0.05 -0.01 0.06 -0.04 1.46 1.51 2yv5A1 LYS 296 HG3 0.04 -0.01 0.11 -0.04 1.46 1.56 2yv5A1 LYS 296 HD2 0.04 0.03 0.06 -0.04 1.69 1.77 2yv5A1 LYS 296 HD3 0.03 -0.01 0.02 -0.04 1.68 1.68 2yv5A1 LYS 296 HE2 0.07 -0.01 0.02 -0.04 2.99 3.02 2yv5A1 LYS 296 HE3 0.13 -0.02 0.03 -0.04 2.99 3.09 2yv5A1 GLU 297 H -0.00 0.32 -0.28 -0.55 8.60 8.09 2yv5A1 GLU 297 HA -0.00 0.13 0.56 -0.75 4.29 4.22 2yv5A1 GLU 297 HB2 -0.01 0.08 0.08 -0.04 2.09 2.19 2yv5A1 GLU 297 HB3 -0.01 -0.01 0.01 -0.04 1.99 1.94 2yv5A1 GLU 297 HG2 -0.01 -0.06 -0.05 -0.04 2.34 2.18 2yv5A1 GLU 297 HG3 -0.01 -0.03 -0.01 -0.04 2.34 2.24 2yv5A1 LEU 298 H 0.01 0.25 -0.10 -0.55 8.37 7.98 2yv5A1 LEU 298 HA -0.02 0.10 0.56 -0.75 4.35 4.23 2yv5A1 LEU 298 HB2 0.05 0.01 0.08 -0.04 1.64 1.73 2yv5A1 LEU 298 HB3 -0.03 -0.04 -0.06 -0.04 1.64 1.47 2yv5A1 LEU 298 HG -0.01 0.07 -0.10 -0.04 1.64 1.57 2yv5A1 LEU 298 HD13 -0.01 -0.03 -0.08 -0.04 0.93 0.77 2yv5A1 LEU 298 HD23 -0.08 0.04 -0.06 -0.04 0.89 0.74 2yv5A1 CYS 299 H 0.03 0.72 -0.06 -0.55 8.50 8.64 2yv5A1 CYS 299 HA 0.02 0.01 0.91 -0.75 4.58 4.76 2yv5A1 CYS 299 HB2 0.06 0.12 0.16 -0.04 2.97 3.27 2yv5A1 CYS 299 HB3 0.05 -0.10 0.03 -0.04 2.97 2.91 2yv5A1 ARG 300 H 0.01 -0.03 0.11 -0.55 8.46 8.00 2yv5A1 ARG 300 HA 0.01 0.08 0.58 -0.75 4.34 4.26 2yv5A1 ARG 300 HB2 0.00 -0.06 0.09 -0.04 1.90 1.90 2yv5A1 ARG 300 HB3 0.01 0.20 0.01 -0.04 1.80 1.98 2yv5A1 ARG 300 HG2 0.01 0.11 -0.60 -0.04 1.67 1.15 2yv5A1 ARG 300 HG3 0.00 -0.08 -0.28 -0.04 1.67 1.27 2yv5A1 ARG 300 HD2 -0.00 0.14 -0.04 -0.04 3.22 3.27 2yv5A1 ARG 300 HD3 -0.00 -0.08 -0.09 -0.04 3.22 3.01 2yv5A1 GLU 301 H 0.00 -0.13 0.17 -0.55 8.60 8.10 2yv5A1 GLU 301 HA -0.00 0.27 1.01 -0.75 4.29 4.81 2yv5A1 GLU 301 HB2 -0.01 0.02 -0.00 -0.04 2.09 2.06 2yv5A1 GLU 301 HB3 -0.01 0.08 0.00 -0.04 1.99 2.03 2yv5A1 GLU 301 HG2 -0.00 -0.32 0.25 -0.04 2.34 2.22 2yv5A1 GLU 301 HG3 -0.01 0.10 0.06 -0.04 2.34 2.45 2yv5A1 ASP 302 H -0.00 0.04 0.10 -0.55 8.40 7.98 2yv5A1 ASP 302 HA -0.02 0.02 0.22 -0.75 4.63 4.09 2yv5A1 ASP 302 HB2 -0.01 0.19 -0.26 -0.04 2.71 2.58 2yv5A1 ASP 302 HB3 -0.03 0.00 0.04 -0.04 2.70 2.67