============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. TYR 21 0.840 -54.823 -37.638 -13.576 -99.200 -91.000 TYR 27 0.840 -55.662 -51.222 -13.922 -99.200 -91.000 TYR 33 0.840 -48.299 -56.056 -16.864 -99.200 -91.000 TRP 35 1.040 -52.413 -57.652 -19.209 -99.200 -91.000 TRP6 35 1.020 -50.715 -57.654 -20.864 -99.200 -91.000 TRP 55 1.040 -37.118 -53.095 -39.023 -99.200 -91.000 TRP6 55 1.020 -37.290 -55.286 -39.909 -99.200 -91.000 TRP 65 1.040 -38.558 -42.475 -26.597 -99.200 -91.000 TRP6 65 1.020 -36.419 -42.349 -25.594 -99.200 -91.000 TYR 92 0.840 -30.034 -49.495 -28.653 -99.200 -91.000 PHE 97 1.000 -26.263 -54.235 -31.122 -99.200 -91.000 TYR 106 0.840 -38.405 -63.778 -31.564 -99.200 -91.000 TRP 115 1.040 -45.908 -61.383 -29.195 -99.200 -91.000 TRP6 115 1.020 -44.066 -62.511 -30.155 -99.200 -91.000 PHE 119 1.000 -31.416 -56.181 -20.702 -99.200 -91.000 PHE 144 1.000 -26.096 -71.097 -27.694 -99.200 -91.000 TRP 152 1.040 -34.962 -56.138 -7.700 -99.200 -91.000 TRP6 152 1.020 -36.874 -55.176 -6.688 -99.200 -91.000 HIS 158 0.900 -48.279 -59.775 -15.901 -99.200 -91.000 HIS 160 0.900 -45.008 -64.589 -26.997 -99.200 -91.000 TYR 162 0.840 -40.100 -63.097 -20.071 -99.200 -91.000 PHE 175 1.000 -28.055 -67.374 -25.011 -99.200 -91.000 PHE 186 1.000 -42.158 -65.966 -16.450 -99.200 -91.000 HIS 196 0.900 -47.964 -49.737 -4.634 -99.200 -91.000 HIS 199 0.900 -48.145 -57.301 -11.505 -99.200 -91.000 PHE 209 1.000 -32.721 -76.381 -27.661 -99.200 -91.000 TYR 225 0.840 -24.481 -57.279 -29.331 -99.200 -91.000 PHE 249 1.000 -45.072 -26.968 -11.039 -99.200 -91.000 TYR 255 0.840 -54.516 -28.067 -1.554 -99.200 -91.000 PHE 262 1.000 -52.352 -19.201 9.760 -99.200 -91.000 HIS 269 0.900 -49.994 -17.574 3.850 -99.200 -91.000 PHE 274 1.000 -39.740 -16.650 -2.210 -99.200 -91.000 HIS 280 0.900 -40.932 -23.223 -14.232 -99.200 -91.000 PHE 303 1.000 -27.352 -40.879 -26.477 -99.200 -91.000 PHE 313 1.000 -30.991 -30.982 -12.223 -99.200 -91.000 TYR 332 0.840 -56.960 -31.918 3.345 -99.200 -91.000 TYR 334 0.840 -48.380 -39.493 5.057 -99.200 -91.000 HIS 335 0.900 -57.178 -39.378 1.602 -99.200 -91.000 TYR 338 0.840 -56.682 -34.323 -1.460 -99.200 -91.000 TYR 343 0.840 -47.961 -38.123 -9.748 -99.200 -91.000 TYR 344 0.840 -41.890 -38.490 -0.580 -99.200 -91.000 TYR 353 0.840 -36.339 -47.353 -13.354 -99.200 -91.000 TYR 369 0.840 -10.938 -36.368 -14.329 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dvlB1 LEU 3 HA -0.00 -0.13 0.19 -0.75 4.35 3.65 2dvlB1 LEU 3 HB2 -0.00 0.03 -0.04 -0.04 1.64 1.59 2dvlB1 LEU 3 HB3 0.00 -0.05 -0.10 -0.04 1.64 1.44 2dvlB1 LEU 3 HG -0.01 0.03 -0.01 -0.04 1.64 1.61 2dvlB1 LEU 3 HD13 -0.01 0.01 -0.08 -0.04 0.93 0.81 2dvlB1 LEU 3 HD23 -0.00 -0.02 -0.04 -0.04 0.89 0.78 2dvlB1 THR 4 H 0.00 0.00 0.09 -0.55 8.28 7.83 2dvlB1 THR 4 HA -0.00 0.20 0.52 -0.75 4.39 4.35 2dvlB1 THR 4 HB 0.00 -0.01 0.16 -0.04 4.32 4.43 2dvlB1 THR 4 HG23 -0.00 0.04 0.06 -0.04 1.22 1.28 2dvlB1 GLN 5 H -0.00 0.19 0.17 -0.55 8.47 8.28 2dvlB1 GLN 5 HA 0.00 0.16 0.36 -0.75 4.36 4.13 2dvlB1 GLN 5 HB2 -0.00 -0.07 0.15 -0.04 2.15 2.19 2dvlB1 GLN 5 HB3 0.00 0.06 -0.01 -0.04 2.02 2.03 2dvlB1 GLN 5 HG2 -0.00 0.06 0.06 -0.04 2.40 2.48 2dvlB1 GLN 5 HG3 -0.00 -0.01 0.12 -0.04 2.39 2.46 2dvlB1 GLN 5 HE21 -0.00 0.02 0.01 -0.04 6.97 6.96 2dvlB1 GLN 5 HE22 -0.00 0.02 0.01 -0.04 7.69 7.68 2dvlB1 GLU 6 H 0.00 0.09 -0.11 -0.55 8.60 8.03 2dvlB1 GLU 6 HA 0.00 0.12 0.37 -0.75 4.29 4.03 2dvlB1 GLU 6 HB2 0.00 0.05 0.10 -0.04 2.09 2.20 2dvlB1 GLU 6 HB3 0.00 -0.07 0.07 -0.04 1.99 1.96 2dvlB1 GLU 6 HG2 0.00 0.06 -0.01 -0.04 2.34 2.35 2dvlB1 GLU 6 HG3 0.01 -0.02 -0.23 -0.04 2.34 2.06 2dvlB1 GLN 7 H 0.01 0.06 -0.24 -0.55 8.47 7.75 2dvlB1 GLN 7 HA 0.02 0.05 0.44 -0.75 4.36 4.11 2dvlB1 GLN 7 HB2 0.01 0.11 0.06 -0.04 2.15 2.29 2dvlB1 GLN 7 HB3 0.01 0.01 0.04 -0.04 2.02 2.05 2dvlB1 GLN 7 HG2 0.02 -0.00 0.06 -0.04 2.40 2.44 2dvlB1 GLN 7 HG3 0.01 -0.06 0.08 -0.04 2.39 2.37 2dvlB1 GLN 7 HE21 0.01 0.06 0.02 -0.04 6.97 7.02 2dvlB1 GLN 7 HE22 0.02 -0.05 0.04 -0.04 7.69 7.65 2dvlB1 ARG 8 H 0.00 0.49 -0.33 -0.55 8.46 8.07 2dvlB1 ARG 8 HA 0.00 0.03 0.49 -0.75 4.34 4.11 2dvlB1 ARG 8 HB2 0.00 0.11 0.07 -0.04 1.90 2.04 2dvlB1 ARG 8 HB3 0.00 -0.02 -0.01 -0.04 1.80 1.73 2dvlB1 ARG 8 HG2 -0.00 -0.02 -0.04 -0.04 1.67 1.56 2dvlB1 ARG 8 HG3 0.00 -0.10 -0.15 -0.04 1.67 1.38 2dvlB1 ARG 8 HD2 -0.00 0.07 -0.23 -0.04 3.22 3.02 2dvlB1 ARG 8 HD3 -0.00 -0.04 -0.07 -0.04 3.22 3.07 2dvlB1 LEU 9 H 0.01 0.38 -0.22 -0.55 8.37 8.00 2dvlB1 LEU 9 HA 0.00 0.06 0.48 -0.75 4.35 4.14 2dvlB1 LEU 9 HB2 0.01 0.08 0.22 -0.04 1.64 1.90 2dvlB1 LEU 9 HB3 0.01 0.00 -0.02 -0.04 1.64 1.59 2dvlB1 LEU 9 HG 0.00 0.00 -0.01 -0.04 1.64 1.59 2dvlB1 LEU 9 HD13 0.00 -0.02 -0.06 -0.04 0.93 0.81 2dvlB1 LEU 9 HD23 0.00 -0.00 0.02 -0.04 0.89 0.87 2dvlB1 VAL 10 H 0.01 0.43 -0.07 -0.55 8.24 8.06 2dvlB1 VAL 10 HA 0.02 0.09 0.43 -0.75 4.13 3.92 2dvlB1 VAL 10 HB 0.02 0.08 0.18 -0.04 2.12 2.36 2dvlB1 VAL 10 HG13 0.04 -0.01 -0.11 -0.04 0.97 0.85 2dvlB1 VAL 10 HG23 0.02 0.06 0.07 -0.04 0.95 1.06 2dvlB1 LEU 11 H 0.01 0.48 -0.10 -0.55 8.37 8.22 2dvlB1 LEU 11 HA 0.01 -0.01 0.37 -0.75 4.35 3.96 2dvlB1 LEU 11 HB2 0.00 0.09 0.06 -0.04 1.64 1.75 2dvlB1 LEU 11 HB3 -0.00 -0.02 0.04 -0.04 1.64 1.62 2dvlB1 LEU 11 HG 0.01 0.27 0.14 -0.04 1.64 2.02 2dvlB1 LEU 11 HD13 -0.00 -0.02 -0.05 -0.04 0.93 0.81 2dvlB1 LEU 11 HD23 0.00 -0.00 -0.07 -0.04 0.89 0.78 2dvlB1 ASP 12 H 0.01 0.29 -0.75 -0.55 8.40 7.41 2dvlB1 ASP 12 HA -0.00 0.01 0.46 -0.75 4.63 4.34 2dvlB1 ASP 12 HB2 0.00 0.29 0.23 -0.04 2.71 3.19 2dvlB1 ASP 12 HB3 0.00 -0.07 0.02 -0.04 2.70 2.60 2dvlB1 ALA 13 H 0.01 0.43 -0.11 -0.55 8.40 8.18 2dvlB1 ALA 13 HA 0.01 0.03 0.50 -0.75 4.34 4.12 2dvlB1 ALA 13 HB3 0.01 0.04 0.14 -0.04 1.41 1.57 2dvlB1 VAL 14 H 0.01 0.52 0.01 -0.55 8.24 8.23 2dvlB1 VAL 14 HA 0.01 0.03 0.36 -0.75 4.13 3.78 2dvlB1 VAL 14 HB 0.01 0.05 0.10 -0.04 2.12 2.23 2dvlB1 VAL 14 HG13 0.00 -0.02 -0.07 -0.04 0.97 0.85 2dvlB1 VAL 14 HG23 0.02 0.06 -0.01 -0.04 0.95 0.99 2dvlB1 ARG 15 H 0.00 0.58 -0.30 -0.55 8.46 8.19 2dvlB1 ARG 15 HA -0.01 -0.01 0.36 -0.75 4.34 3.94 2dvlB1 ARG 15 HB2 -0.01 0.19 0.17 -0.04 1.90 2.22 2dvlB1 ARG 15 HB3 -0.01 0.11 0.13 -0.04 1.80 1.99 2dvlB1 ARG 15 HG2 -0.02 -0.01 -0.07 -0.04 1.67 1.54 2dvlB1 ARG 15 HG3 -0.02 -0.05 0.04 -0.04 1.67 1.60 2dvlB1 ARG 15 HD2 -0.02 -0.03 -0.02 -0.04 3.22 3.12 2dvlB1 ARG 15 HD3 -0.01 -0.03 -0.00 -0.04 3.22 3.13 2dvlB1 ARG 16 H 0.00 0.46 -0.25 -0.55 8.46 8.12 2dvlB1 ARG 16 HA -0.00 0.00 0.42 -0.75 4.34 4.00 2dvlB1 ARG 16 HB2 0.00 0.10 0.17 -0.04 1.90 2.14 2dvlB1 ARG 16 HB3 0.01 0.11 0.20 -0.04 1.80 2.08 2dvlB1 ARG 16 HG2 0.01 -0.04 -0.15 -0.04 1.67 1.44 2dvlB1 ARG 16 HG3 0.00 -0.03 0.03 -0.04 1.67 1.63 2dvlB1 ARG 16 HD2 0.01 0.02 -0.03 -0.04 3.22 3.18 2dvlB1 ARG 16 HD3 0.01 -0.03 -0.02 -0.04 3.22 3.13 2dvlB1 VAL 17 H 0.01 0.60 -0.03 -0.55 8.24 8.27 2dvlB1 VAL 17 HA 0.01 0.02 0.42 -0.75 4.13 3.83 2dvlB1 VAL 17 HB 0.01 0.05 0.07 -0.04 2.12 2.21 2dvlB1 VAL 17 HG13 0.01 0.03 0.04 -0.04 0.97 1.01 2dvlB1 VAL 17 HG23 0.01 -0.02 -0.12 -0.04 0.95 0.77 2dvlB1 ALA 18 H 0.01 0.64 -0.22 -0.55 8.40 8.28 2dvlB1 ALA 18 HA 0.02 -0.09 0.44 -0.75 4.34 3.96 2dvlB1 ALA 18 HB3 0.01 0.04 0.04 -0.04 1.41 1.46 2dvlB1 ARG 19 H 0.00 0.66 -0.05 -0.55 8.46 8.51 2dvlB1 ARG 19 HA 0.01 0.03 0.52 -0.75 4.34 4.14 2dvlB1 ARG 19 HB2 -0.01 0.06 0.12 -0.04 1.90 2.02 2dvlB1 ARG 19 HB3 -0.04 -0.05 0.04 -0.04 1.80 1.70 2dvlB1 ARG 19 HG2 -0.10 -0.05 0.01 -0.04 1.67 1.49 2dvlB1 ARG 19 HG3 -0.03 0.30 0.12 -0.04 1.67 2.01 2dvlB1 ARG 19 HD2 -0.04 -0.01 -0.03 -0.04 3.22 3.10 2dvlB1 ARG 19 HD3 -0.09 -0.03 -0.01 -0.04 3.22 3.05 2dvlB1 GLU 20 H 0.02 0.55 -0.09 -0.55 8.60 8.53 2dvlB1 GLU 20 HA 0.04 0.11 0.67 -0.75 4.29 4.35 2dvlB1 GLU 20 HB2 0.01 0.12 0.11 -0.04 2.09 2.30 2dvlB1 GLU 20 HB3 0.02 -0.06 -0.00 -0.04 1.99 1.90 2dvlB1 GLU 20 HG2 0.01 -0.03 0.01 -0.04 2.34 2.29 2dvlB1 GLU 20 HG3 0.01 -0.00 0.02 -0.04 2.34 2.33 2dvlB1 VAL 21 H 0.02 0.47 -0.05 -0.55 8.24 8.13 2dvlB1 VAL 21 HA 0.01 0.19 0.97 -0.75 4.13 4.54 2dvlB1 VAL 21 HB -0.00 0.10 0.17 -0.04 2.12 2.35 2dvlB1 VAL 21 HG13 -0.03 -0.02 -0.16 -0.04 0.97 0.72 2dvlB1 VAL 21 HG23 0.01 -0.01 -0.08 -0.04 0.95 0.83 2dvlB1 LEU 22 H 0.01 0.34 0.18 -0.55 8.37 8.36 2dvlB1 LEU 22 HA -0.06 -0.06 0.38 -0.75 4.35 3.86 2dvlB1 LEU 22 HB2 0.03 0.14 0.30 -0.04 1.64 2.07 2dvlB1 LEU 22 HB3 0.04 -0.01 -0.11 -0.04 1.64 1.52 2dvlB1 LEU 22 HG -0.06 -0.09 0.01 -0.04 1.64 1.45 2dvlB1 LEU 22 HD13 -0.03 -0.00 -0.06 -0.04 0.93 0.79 2dvlB1 LEU 22 HD23 -0.00 0.01 0.01 -0.04 0.89 0.86 2dvlB1 TYR 23 H 0.17 0.62 0.05 -0.55 8.29 8.58 2dvlB1 TYR 23 HA 0.01 0.10 0.41 -0.75 4.56 4.33 2dvlB1 TYR 23 HB2 0.02 0.02 0.17 -0.04 3.06 3.23 2dvlB1 TYR 23 HB3 0.01 0.18 0.10 -0.04 2.98 3.24 2dvlB1 TYR 23 HD2 0.05 0.03 0.02 -0.04 7.15 7.21 2dvlB1 TYR 23 HE2 0.09 0.01 0.03 -0.04 6.85 6.94 2dvlB1 PRO 24 HA -0.01 0.06 0.55 -0.51 4.44 4.52 2dvlB1 PRO 24 HB2 0.03 0.05 -0.03 -0.04 2.28 2.29 2dvlB1 PRO 24 HB3 0.04 -0.05 0.08 -0.04 2.02 2.06 2dvlB1 PRO 24 HG2 0.06 0.17 0.01 -0.04 2.03 2.23 2dvlB1 PRO 24 HG3 0.13 -0.01 0.03 -0.04 2.03 2.13 2dvlB1 PRO 24 HD2 0.06 0.14 -0.65 -0.04 3.68 3.19 2dvlB1 PRO 24 HD3 0.18 0.23 -0.15 -0.04 3.65 3.87 2dvlB1 LEU 25 H -0.02 0.42 -0.30 -0.55 8.37 7.92 2dvlB1 LEU 25 HA 0.04 0.07 0.69 -0.75 4.35 4.40 2dvlB1 LEU 25 HB2 -0.15 0.17 0.08 -0.04 1.64 1.70 2dvlB1 LEU 25 HB3 -0.22 -0.15 0.05 -0.04 1.64 1.27 2dvlB1 LEU 25 HG -0.02 0.11 -0.01 -0.04 1.64 1.68 2dvlB1 LEU 25 HD13 -0.16 -0.02 -0.06 -0.04 0.93 0.65 2dvlB1 LEU 25 HD23 0.10 -0.02 -0.01 -0.04 0.89 0.92 2dvlB1 ALA 26 H -0.08 0.45 -0.15 -0.55 8.40 8.08 2dvlB1 ALA 26 HA -0.04 -0.11 0.35 -0.75 4.34 3.79 2dvlB1 ALA 26 HB3 -0.13 0.05 0.17 -0.04 1.41 1.46 2dvlB1 PRO 27 HA -0.03 -0.01 0.45 -0.51 4.44 4.35 2dvlB1 PRO 27 HB2 -0.02 0.03 0.07 -0.04 2.28 2.31 2dvlB1 PRO 27 HB3 -0.03 -0.00 0.07 -0.04 2.02 2.02 2dvlB1 PRO 27 HG2 -0.12 0.09 0.08 -0.04 2.03 2.04 2dvlB1 PRO 27 HG3 -0.13 0.00 0.09 -0.04 2.03 1.95 2dvlB1 PRO 27 HD2 -0.09 0.24 -0.17 -0.04 3.68 3.61 2dvlB1 PRO 27 HD3 -0.20 0.26 0.15 -0.04 3.65 3.81 2dvlB1 GLU 28 H 0.05 0.28 -0.15 -0.55 8.60 8.23 2dvlB1 GLU 28 HA 0.00 0.02 0.44 -0.75 4.29 4.01 2dvlB1 GLU 28 HB2 0.04 0.01 0.12 -0.04 2.09 2.21 2dvlB1 GLU 28 HB3 0.15 0.11 0.14 -0.04 1.99 2.35 2dvlB1 GLU 28 HG2 -0.12 -0.02 -0.25 -0.04 2.34 1.91 2dvlB1 GLU 28 HG3 -0.03 -0.02 0.02 -0.04 2.34 2.27 2dvlB1 TYR 29 H 0.30 0.59 -0.06 -0.55 8.29 8.57 2dvlB1 TYR 29 HA -0.01 0.01 0.41 -0.75 4.56 4.22 2dvlB1 TYR 29 HB2 -0.05 0.15 0.07 -0.04 3.06 3.18 2dvlB1 TYR 29 HB3 -0.06 -0.01 0.01 -0.04 2.98 2.87 2dvlB1 TYR 29 HD2 -0.07 0.22 -0.10 -0.04 7.15 7.16 2dvlB1 TYR 29 HE2 -0.01 0.08 -0.02 -0.04 6.85 6.86 2dvlB1 ASP 30 H 0.07 0.48 -0.31 -0.55 8.40 8.09 2dvlB1 ASP 30 HA 0.12 -0.07 0.58 -0.75 4.63 4.51 2dvlB1 ASP 30 HB2 0.02 0.11 0.10 -0.04 2.71 2.89 2dvlB1 ASP 30 HB3 0.04 0.10 0.15 -0.04 2.70 2.94 2dvlB1 ARG 31 H 0.02 0.59 0.10 -0.55 8.46 8.61 2dvlB1 ARG 31 HA -0.03 0.06 0.48 -0.75 4.34 4.09 2dvlB1 ARG 31 HB2 -0.03 -0.04 0.11 -0.04 1.90 1.90 2dvlB1 ARG 31 HB3 -0.00 -0.04 0.14 -0.04 1.80 1.85 2dvlB1 ARG 31 HG2 -0.01 0.15 0.20 -0.04 1.67 1.97 2dvlB1 ARG 31 HG3 -0.03 0.05 -0.14 -0.04 1.67 1.51 2dvlB1 ARG 31 HD2 -0.01 -0.03 -0.02 -0.04 3.22 3.12 2dvlB1 ARG 31 HD3 -0.00 -0.05 -0.01 -0.04 3.22 3.12 2dvlB1 LYS 32 H -0.04 0.34 -0.33 -0.55 8.42 7.84 2dvlB1 LYS 32 HA -0.06 0.16 0.77 -0.75 4.32 4.44 2dvlB1 LYS 32 HB2 -0.15 0.04 0.01 -0.04 1.87 1.74 2dvlB1 LYS 32 HB3 -0.09 -0.04 0.04 -0.04 1.79 1.66 2dvlB1 LYS 32 HG2 -0.06 -0.01 -0.03 -0.04 1.46 1.32 2dvlB1 LYS 32 HG3 -0.07 0.01 -0.04 -0.04 1.46 1.33 2dvlB1 LYS 32 HD2 -0.17 -0.00 -0.07 -0.04 1.69 1.41 2dvlB1 LYS 32 HD3 -0.09 -0.02 -0.02 -0.04 1.68 1.50 2dvlB1 LYS 32 HE2 -0.04 -0.01 -0.02 -0.04 2.99 2.88 2dvlB1 LYS 32 HE3 -0.05 -0.01 -0.01 -0.04 2.99 2.88 2dvlB1 ALA 33 H -0.01 0.16 -0.61 -0.55 8.40 7.40 2dvlB1 ALA 33 HA 0.12 -0.07 -0.02 -0.75 4.34 3.61 2dvlB1 ALA 33 HB3 0.00 0.04 -0.04 -0.04 1.41 1.37 2dvlB1 GLU 34 H -0.01 0.33 -0.12 -0.55 8.60 8.25 2dvlB1 GLU 34 HA 0.08 0.13 0.74 -0.75 4.29 4.48 2dvlB1 GLU 34 HB2 -0.23 0.01 -0.12 -0.04 2.09 1.70 2dvlB1 GLU 34 HB3 -0.58 -0.09 0.01 -0.04 1.99 1.29 2dvlB1 GLU 34 HG2 -0.06 0.12 -0.05 -0.04 2.34 2.30 2dvlB1 GLU 34 HG3 -0.06 0.01 0.02 -0.04 2.34 2.28 2dvlB1 TYR 35 H -0.07 0.12 0.17 -0.55 8.29 7.96 2dvlB1 TYR 35 HA -0.59 0.31 0.51 -0.75 4.56 4.04 2dvlB1 TYR 35 HB2 -0.91 0.04 0.17 -0.04 3.06 2.32 2dvlB1 TYR 35 HB3 -0.65 -0.07 0.10 -0.04 2.98 2.32 2dvlB1 TYR 35 HD2 -1.68 -0.03 -0.00 -0.04 7.15 5.39 2dvlB1 TYR 35 HE2 -1.23 -0.03 -0.02 -0.04 6.85 5.54 2dvlB1 PRO 36 HA -0.17 0.13 0.55 -0.51 4.44 4.43 2dvlB1 PRO 36 HB2 -0.36 -0.12 0.16 -0.04 2.28 1.92 2dvlB1 PRO 36 HB3 -0.32 0.06 0.06 -0.04 2.02 1.79 2dvlB1 PRO 36 HG2 -0.74 0.01 0.04 -0.04 2.03 1.30 2dvlB1 PRO 36 HG3 -0.43 -0.05 -0.08 -0.04 2.03 1.43 2dvlB1 PRO 36 HD2 -1.66 0.08 0.17 -0.04 3.68 2.23 2dvlB1 PRO 36 HD3 -0.47 0.29 0.17 -0.04 3.65 3.61 2dvlB1 TRP 37 H 0.11 0.47 0.05 -0.55 7.97 8.05 2dvlB1 TRP 37 HA -0.02 0.07 0.40 -0.75 4.62 4.32 2dvlB1 TRP 37 HB2 0.09 0.06 0.13 -0.04 3.23 3.47 2dvlB1 TRP 37 HB3 0.07 0.00 -0.03 -0.04 3.23 3.23 2dvlB1 TRP 37 HD1 0.14 0.03 0.02 -0.04 7.22 7.36 2dvlB1 TRP 37 HE1 0.13 0.03 -0.00 -0.04 10.20 10.31 2dvlB1 TRP 37 HE3 0.08 -0.08 0.02 -0.04 7.59 7.57 2dvlB1 TRP 37 HZ2 0.09 0.08 0.02 -0.04 7.44 7.59 2dvlB1 TRP 37 HZ3 0.14 0.04 -0.09 -0.04 7.13 7.18 2dvlB1 TRP 37 HH2 0.14 0.06 -0.04 -0.04 7.19 7.31 2dvlB1 PRO 38 HA 0.09 0.10 0.43 -0.51 4.44 4.56 2dvlB1 PRO 38 HB2 -0.08 0.02 0.01 -0.04 2.28 2.18 2dvlB1 PRO 38 HB3 0.04 0.07 0.04 -0.04 2.02 2.13 2dvlB1 PRO 38 HG2 0.20 0.08 0.04 -0.04 2.03 2.31 2dvlB1 PRO 38 HG3 0.16 0.06 0.04 -0.04 2.03 2.25 2dvlB1 PRO 38 HD2 0.03 0.07 0.06 -0.04 3.68 3.81 2dvlB1 PRO 38 HD3 0.33 0.12 0.16 -0.04 3.65 4.22 2dvlB1 GLN 39 H -0.17 0.13 -0.33 -0.55 8.47 7.56 2dvlB1 GLN 39 HA -0.06 0.07 0.32 -0.75 4.36 3.93 2dvlB1 GLN 39 HB2 -0.21 0.10 0.04 -0.04 2.15 2.04 2dvlB1 GLN 39 HB3 -0.12 -0.01 -0.06 -0.04 2.02 1.79 2dvlB1 GLN 39 HG2 -0.21 0.01 -0.05 -0.04 2.40 2.11 2dvlB1 GLN 39 HG3 -0.19 0.05 -0.16 -0.04 2.39 2.05 2dvlB1 GLN 39 HE21 -1.69 0.03 -0.06 -0.04 6.97 5.21 2dvlB1 GLN 39 HE22 -0.46 0.04 -0.10 -0.04 7.69 7.12 2dvlB1 LEU 40 H -0.06 0.49 -0.13 -0.55 8.37 8.13 2dvlB1 LEU 40 HA -0.00 0.00 0.39 -0.75 4.35 3.99 2dvlB1 LEU 40 HB2 0.15 0.07 0.13 -0.04 1.64 1.96 2dvlB1 LEU 40 HB3 0.12 0.03 -0.03 -0.04 1.64 1.71 2dvlB1 LEU 40 HG -0.28 0.16 0.07 -0.04 1.64 1.55 2dvlB1 LEU 40 HD13 -0.44 -0.02 -0.10 -0.04 0.93 0.33 2dvlB1 LEU 40 HD23 -0.09 -0.02 -0.04 -0.04 0.89 0.70 2dvlB1 LYS 41 H 0.15 0.59 -0.13 -0.55 8.42 8.48 2dvlB1 LYS 41 HA 0.12 0.09 0.43 -0.75 4.32 4.20 2dvlB1 LYS 41 HB2 0.09 0.08 0.14 -0.04 1.87 2.14 2dvlB1 LYS 41 HB3 0.07 -0.04 0.02 -0.04 1.79 1.80 2dvlB1 LYS 41 HG2 0.13 0.02 0.03 -0.04 1.46 1.60 2dvlB1 LYS 41 HG3 0.28 0.14 0.10 -0.04 1.46 1.94 2dvlB1 LYS 41 HD2 0.11 -0.05 -0.12 -0.04 1.69 1.59 2dvlB1 LYS 41 HD3 0.04 -0.02 -0.02 -0.04 1.68 1.64 2dvlB1 LYS 41 HE2 -0.10 0.05 -0.01 -0.04 2.99 2.89 2dvlB1 LYS 41 HE3 -0.04 -0.04 -0.04 -0.04 2.99 2.82 2dvlB1 ALA 42 H 0.04 0.52 -0.24 -0.55 8.40 8.17 2dvlB1 ALA 42 HA 0.03 0.00 0.37 -0.75 4.34 3.98 2dvlB1 ALA 42 HB3 0.01 0.03 0.09 -0.04 1.41 1.50 2dvlB1 LEU 43 H 0.03 0.45 -0.30 -0.55 8.37 7.99 2dvlB1 LEU 43 HA 0.03 0.01 0.46 -0.75 4.35 4.09 2dvlB1 LEU 43 HB2 0.03 0.16 0.11 -0.04 1.64 1.90 2dvlB1 LEU 43 HB3 0.04 -0.12 -0.12 -0.04 1.64 1.39 2dvlB1 LEU 43 HG -0.00 0.14 -0.03 -0.04 1.64 1.71 2dvlB1 LEU 43 HD13 -0.01 -0.03 -0.14 -0.04 0.93 0.72 2dvlB1 LEU 43 HD23 0.02 -0.02 -0.08 -0.04 0.89 0.77 2dvlB1 ALA 44 H 0.06 0.75 0.01 -0.55 8.40 8.68 2dvlB1 ALA 44 HA 0.06 -0.12 0.38 -0.75 4.34 3.90 2dvlB1 ALA 44 HB3 0.08 0.07 0.14 -0.04 1.41 1.66 2dvlB1 GLU 45 H 0.04 0.56 -0.15 -0.55 8.60 8.50 2dvlB1 GLU 45 HA 0.02 0.04 0.37 -0.75 4.29 3.98 2dvlB1 GLU 45 HB2 0.03 -0.00 0.10 -0.04 2.09 2.18 2dvlB1 GLU 45 HB3 0.03 0.17 0.08 -0.04 1.99 2.22 2dvlB1 GLU 45 HG2 0.02 -0.05 -0.01 -0.04 2.34 2.25 2dvlB1 GLU 45 HG3 0.02 -0.01 -0.19 -0.04 2.34 2.12 2dvlB1 LEU 46 H 0.03 0.26 -0.62 -0.55 8.37 7.50 2dvlB1 LEU 46 HA 0.02 0.10 0.67 -0.75 4.35 4.39 2dvlB1 LEU 46 HB2 0.03 0.08 0.11 -0.04 1.64 1.81 2dvlB1 LEU 46 HB3 0.02 -0.09 0.12 -0.04 1.64 1.65 2dvlB1 LEU 46 HG 0.02 0.06 -0.07 -0.04 1.64 1.61 2dvlB1 LEU 46 HD13 0.02 -0.02 -0.03 -0.04 0.93 0.86 2dvlB1 LEU 46 HD23 0.02 -0.01 0.00 -0.04 0.89 0.86 2dvlB1 GLY 47 H 0.03 0.74 -0.34 -0.55 8.43 8.32 2dvlB1 GLY 47 HA2 0.04 0.21 0.34 -0.51 4.01 4.08 2dvlB1 GLY 47 HA3 0.03 0.03 0.38 -0.51 4.01 3.94 2dvlB1 LEU 48 H 0.04 0.46 -0.31 -0.55 8.37 8.02 2dvlB1 LEU 48 HA 0.07 0.04 0.39 -0.75 4.35 4.10 2dvlB1 LEU 48 HB2 0.04 0.09 0.01 -0.04 1.64 1.74 2dvlB1 LEU 48 HB3 0.06 -0.08 0.04 -0.04 1.64 1.62 2dvlB1 LEU 48 HG 0.04 0.14 -0.13 -0.04 1.64 1.65 2dvlB1 LEU 48 HD13 0.03 -0.02 -0.04 -0.04 0.93 0.85 2dvlB1 LEU 48 HD23 0.06 -0.02 -0.07 -0.04 0.89 0.82 2dvlB1 LEU 49 H 0.06 0.25 -0.49 -0.55 8.37 7.65 2dvlB1 LEU 49 HA 0.09 0.07 0.67 -0.75 4.35 4.42 2dvlB1 LEU 49 HB2 0.08 0.15 -0.09 -0.04 1.64 1.74 2dvlB1 LEU 49 HB3 0.09 0.01 0.12 -0.04 1.64 1.83 2dvlB1 LEU 49 HG 0.07 -0.03 -0.20 -0.04 1.64 1.43 2dvlB1 LEU 49 HD13 0.12 0.00 -0.01 -0.04 0.93 1.00 2dvlB1 LEU 49 HD23 0.06 -0.02 -0.12 -0.04 0.89 0.76 2dvlB1 GLY 50 H 0.07 0.26 -0.50 -0.55 8.43 7.71 2dvlB1 GLY 50 HA2 0.05 0.10 0.75 -0.51 4.01 4.41 2dvlB1 GLY 50 HA3 0.05 0.28 0.43 -0.51 4.01 4.25 2dvlB1 MET 51 H 0.10 0.28 -0.13 -0.55 8.47 8.18 2dvlB1 MET 51 HA 0.06 0.05 0.41 -0.75 4.52 4.29 2dvlB1 MET 51 HB2 0.29 0.04 0.01 -0.04 2.15 2.44 2dvlB1 MET 51 HB3 0.25 -0.09 -0.00 -0.04 2.03 2.15 2dvlB1 MET 51 HG2 0.12 0.00 0.00 -0.04 2.63 2.71 2dvlB1 MET 51 HG3 0.14 0.22 0.08 -0.04 2.56 2.95 2dvlB1 MET 51 HE3 0.19 0.03 -0.02 -0.04 2.10 2.26 2dvlB1 THR 52 H -0.04 0.16 -0.29 -0.55 8.28 7.56 2dvlB1 THR 52 HA -0.28 0.15 0.64 -0.75 4.39 4.14 2dvlB1 THR 52 HB -0.31 -0.03 0.10 -0.04 4.32 4.05 2dvlB1 THR 52 HG23 -0.78 -0.03 -0.11 -0.04 1.22 0.26 2dvlB1 THR 53 H -0.02 0.30 -0.45 -0.55 8.28 7.57 2dvlB1 THR 53 HA -0.02 0.26 0.94 -0.75 4.39 4.82 2dvlB1 THR 53 HB 0.04 0.01 0.04 -0.04 4.32 4.37 2dvlB1 THR 53 HG23 0.12 0.05 -0.14 -0.04 1.22 1.20 2dvlB1 PRO 54 HA 0.02 0.08 0.35 -0.51 4.44 4.38 2dvlB1 PRO 54 HB2 0.16 -0.02 -0.06 -0.04 2.28 2.33 2dvlB1 PRO 54 HB3 0.03 0.03 0.05 -0.04 2.02 2.09 2dvlB1 PRO 54 HG2 0.13 0.08 0.03 -0.04 2.03 2.23 2dvlB1 PRO 54 HG3 0.03 0.08 0.02 -0.04 2.03 2.12 2dvlB1 PRO 54 HD2 0.17 0.12 0.14 -0.04 3.68 4.07 2dvlB1 PRO 54 HD3 0.01 0.28 0.20 -0.04 3.65 4.09 2dvlB1 GLU 55 H -0.01 0.18 0.01 -0.55 8.60 8.23 2dvlB1 GLU 55 HA -0.00 0.58 0.28 -0.75 4.29 4.39 2dvlB1 GLU 55 HB2 -0.04 -0.08 0.04 -0.04 2.09 1.97 2dvlB1 GLU 55 HB3 -0.04 0.03 0.03 -0.04 1.99 1.97 2dvlB1 GLU 55 HG2 -0.00 0.19 0.01 -0.04 2.34 2.50 2dvlB1 GLU 55 HG3 -0.01 -0.04 -0.15 -0.04 2.34 2.11 2dvlB1 GLU 56 H -0.11 0.04 -0.38 -0.55 8.60 7.60 2dvlB1 GLU 56 HA -0.23 0.15 0.46 -0.75 4.29 3.92 2dvlB1 GLU 56 HB2 -0.52 0.03 0.14 -0.04 2.09 1.70 2dvlB1 GLU 56 HB3 -0.24 -0.02 0.04 -0.04 1.99 1.73 2dvlB1 GLU 56 HG2 -0.57 0.07 -0.25 -0.04 2.34 1.55 2dvlB1 GLU 56 HG3 -0.35 0.02 -0.04 -0.04 2.34 1.93 2dvlB1 TRP 57 H 0.04 0.35 -0.72 -0.55 7.97 7.09 2dvlB1 TRP 57 HA -0.04 0.17 0.67 -0.75 4.62 4.66 2dvlB1 TRP 57 HB2 -0.04 0.03 -0.08 -0.04 3.23 3.10 2dvlB1 TRP 57 HB3 -0.04 -0.03 0.09 -0.04 3.23 3.20 2dvlB1 TRP 57 HD1 -0.06 -0.05 -0.11 -0.04 7.22 6.96 2dvlB1 TRP 57 HE1 -0.05 -0.01 -0.05 -0.04 10.20 10.05 2dvlB1 TRP 57 HE3 -0.04 0.01 0.02 -0.04 7.59 7.55 2dvlB1 TRP 57 HZ2 -0.03 -0.04 -0.02 -0.04 7.44 7.31 2dvlB1 TRP 57 HZ3 -0.03 -0.03 -0.20 -0.04 7.13 6.82 2dvlB1 TRP 57 HH2 -0.02 -0.05 0.01 -0.04 7.19 7.09 2dvlB1 GLY 58 H 0.03 0.34 -0.05 -0.55 8.43 8.21 2dvlB1 GLY 58 HA2 0.02 0.02 0.31 -0.51 4.01 3.85 2dvlB1 GLY 58 HA3 0.06 0.14 0.67 -0.51 4.01 4.37 2dvlB1 GLY 59 H 0.09 0.10 -0.41 -0.55 8.43 7.67 2dvlB1 GLY 59 HA2 0.04 0.21 0.58 -0.51 4.01 4.33 2dvlB1 GLY 59 HA3 0.05 0.07 0.25 -0.51 4.01 3.86 2dvlB1 VAL 60 H 0.03 0.44 0.20 -0.55 8.24 8.36 2dvlB1 VAL 60 HA 0.01 0.16 0.84 -0.75 4.13 4.39 2dvlB1 VAL 60 HB 0.03 -0.10 0.07 -0.04 2.12 2.08 2dvlB1 VAL 60 HG13 0.02 0.04 -0.10 -0.04 0.97 0.90 2dvlB1 VAL 60 HG23 0.05 -0.00 -0.17 -0.04 0.95 0.79 2dvlB1 GLY 61 H 0.02 0.66 0.04 -0.55 8.43 8.61 2dvlB1 GLY 61 HA2 -0.01 0.05 0.01 -0.51 4.01 3.55 2dvlB1 GLY 61 HA3 -0.00 -0.19 0.19 -0.51 4.01 3.50 2dvlB1 LEU 62 H 0.02 0.40 0.04 -0.55 8.37 8.28 2dvlB1 LEU 62 HA 0.03 0.10 0.57 -0.75 4.35 4.30 2dvlB1 LEU 62 HB2 0.12 0.04 -0.02 -0.04 1.64 1.74 2dvlB1 LEU 62 HB3 0.10 -0.18 0.09 -0.04 1.64 1.62 2dvlB1 LEU 62 HG 0.07 0.03 -0.05 -0.04 1.64 1.65 2dvlB1 LEU 62 HD13 0.14 -0.02 -0.11 -0.04 0.93 0.90 2dvlB1 LEU 62 HD23 0.05 0.03 -0.06 -0.04 0.89 0.87 2dvlB1 ASP 63 H 0.05 0.02 0.18 -0.55 8.40 8.10 2dvlB1 ASP 63 HA 0.01 0.27 0.72 -0.75 4.63 4.88 2dvlB1 ASP 63 HB2 0.02 0.01 0.15 -0.04 2.71 2.84 2dvlB1 ASP 63 HB3 0.01 0.13 0.12 -0.04 2.70 2.92 2dvlB1 SER 64 H 0.03 0.25 0.14 -0.55 8.46 8.33 2dvlB1 SER 64 HA 0.35 0.11 0.30 -0.75 4.49 4.50 2dvlB1 SER 64 HB2 0.03 0.13 0.13 -0.04 3.95 4.19 2dvlB1 SER 64 HB3 0.19 -0.02 0.10 -0.04 3.93 4.16 2dvlB1 VAL 65 H 0.06 0.11 -0.24 -0.55 8.24 7.63 2dvlB1 VAL 65 HA 0.03 0.11 0.40 -0.75 4.13 3.92 2dvlB1 VAL 65 HB 0.02 -0.06 0.06 -0.04 2.12 2.10 2dvlB1 VAL 65 HG13 -0.00 0.02 -0.14 -0.04 0.97 0.81 2dvlB1 VAL 65 HG23 0.00 0.03 -0.01 -0.04 0.95 0.93 2dvlB1 THR 66 H 0.08 0.10 -0.14 -0.55 8.28 7.77 2dvlB1 THR 66 HA 0.03 0.09 0.44 -0.75 4.39 4.19 2dvlB1 THR 66 HB 0.09 0.06 0.12 -0.04 4.32 4.55 2dvlB1 THR 66 HG23 0.05 0.03 0.00 -0.04 1.22 1.26 2dvlB1 TRP 67 H 0.27 0.55 -0.21 -0.55 7.97 8.03 2dvlB1 TRP 67 HA 0.01 0.03 0.35 -0.75 4.62 4.25 2dvlB1 TRP 67 HB2 0.01 0.05 -0.14 -0.04 3.23 3.11 2dvlB1 TRP 67 HB3 -0.01 0.03 0.04 -0.04 3.23 3.25 2dvlB1 TRP 67 HD1 0.02 -0.03 -0.09 -0.04 7.22 7.08 2dvlB1 TRP 67 HE1 0.03 0.03 -0.12 -0.04 10.20 10.10 2dvlB1 TRP 67 HE3 -0.02 0.02 0.02 -0.04 7.59 7.58 2dvlB1 TRP 67 HZ2 0.03 0.03 -0.07 -0.04 7.44 7.38 2dvlB1 TRP 67 HZ3 -0.00 -0.04 -0.04 -0.04 7.13 7.01 2dvlB1 TRP 67 HH2 0.03 0.23 -0.01 -0.04 7.19 7.40 2dvlB1 ALA 68 H 0.03 0.64 -0.16 -0.55 8.40 8.36 2dvlB1 ALA 68 HA -0.79 0.02 0.38 -0.75 4.34 3.20 2dvlB1 ALA 68 HB3 -0.16 0.02 0.07 -0.04 1.41 1.30 2dvlB1 LEU 69 H -0.08 0.51 -0.15 -0.55 8.37 8.11 2dvlB1 LEU 69 HA -0.09 0.03 0.44 -0.75 4.35 3.97 2dvlB1 LEU 69 HB2 -0.03 0.06 0.13 -0.04 1.64 1.76 2dvlB1 LEU 69 HB3 -0.04 -0.03 0.04 -0.04 1.64 1.57 2dvlB1 LEU 69 HG -0.04 0.13 0.09 -0.04 1.64 1.78 2dvlB1 LEU 69 HD13 -0.02 -0.02 -0.05 -0.04 0.93 0.80 2dvlB1 LEU 69 HD23 -0.05 -0.01 -0.01 -0.04 0.89 0.78 2dvlB1 ALA 70 H -0.08 0.51 -0.31 -0.55 8.40 7.97 2dvlB1 ALA 70 HA -0.03 0.00 0.45 -0.75 4.34 4.01 2dvlB1 ALA 70 HB3 0.01 0.04 0.08 -0.04 1.41 1.50 2dvlB1 LEU 71 H -0.28 0.60 -0.05 -0.55 8.37 8.10 2dvlB1 LEU 71 HA -0.10 -0.00 0.36 -0.75 4.35 3.86 2dvlB1 LEU 71 HB2 -0.47 0.13 0.15 -0.04 1.64 1.41 2dvlB1 LEU 71 HB3 -0.22 -0.03 -0.03 -0.04 1.64 1.32 2dvlB1 LEU 71 HG -0.52 0.09 0.03 -0.04 1.64 1.19 2dvlB1 LEU 71 HD13 -0.46 0.00 -0.01 -0.04 0.93 0.42 2dvlB1 LEU 71 HD23 0.00 -0.01 -0.02 -0.04 0.89 0.82 2dvlB1 GLU 72 H -0.15 0.45 -0.37 -0.55 8.60 7.98 2dvlB1 GLU 72 HA -0.06 0.03 0.33 -0.75 4.29 3.84 2dvlB1 GLU 72 HB2 -0.09 0.04 0.09 -0.04 2.09 2.09 2dvlB1 GLU 72 HB3 -0.08 0.12 0.14 -0.04 1.99 2.13 2dvlB1 GLU 72 HG2 -0.04 0.01 -0.38 -0.04 2.34 1.89 2dvlB1 GLU 72 HG3 -0.05 -0.08 -0.12 -0.04 2.34 2.05 2dvlB1 GLU 73 H -0.05 0.52 -0.18 -0.55 8.60 8.34 2dvlB1 GLU 73 HA -0.01 0.02 0.40 -0.75 4.29 3.94 2dvlB1 GLU 73 HB2 -0.02 0.05 0.12 -0.04 2.09 2.20 2dvlB1 GLU 73 HB3 -0.02 0.09 0.13 -0.04 1.99 2.15 2dvlB1 GLU 73 HG2 -0.01 -0.05 -0.18 -0.04 2.34 2.05 2dvlB1 GLU 73 HG3 -0.00 -0.00 -0.21 -0.04 2.34 2.08 2dvlB1 LEU 74 H -0.02 0.63 -0.13 -0.55 8.37 8.30 2dvlB1 LEU 74 HA 0.01 0.03 0.42 -0.75 4.35 4.06 2dvlB1 LEU 74 HB2 -0.01 0.09 0.10 -0.04 1.64 1.78 2dvlB1 LEU 74 HB3 -0.00 -0.08 -0.06 -0.04 1.64 1.46 2dvlB1 LEU 74 HG -0.00 0.15 -0.02 -0.04 1.64 1.72 2dvlB1 LEU 74 HD13 0.02 -0.01 -0.10 -0.04 0.93 0.79 2dvlB1 LEU 74 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 2dvlB1 ALA 75 H -0.00 0.67 -0.17 -0.55 8.40 8.35 2dvlB1 ALA 75 HA 0.04 -0.08 0.14 -0.75 4.34 3.70 2dvlB1 ALA 75 HB3 0.02 0.01 0.10 -0.04 1.41 1.50 2dvlB1 ALA 76 H 0.04 0.49 -0.33 -0.55 8.40 8.05 2dvlB1 ALA 76 HA 0.09 0.09 0.32 -0.75 4.34 4.08 2dvlB1 ALA 76 HB3 0.01 0.01 0.10 -0.04 1.41 1.50 2dvlB1 ALA 77 H 0.10 0.21 -0.62 -0.55 8.40 7.55 2dvlB1 ALA 77 HA 0.38 0.13 0.69 -0.75 4.34 4.79 2dvlB1 ALA 77 HB3 0.12 -0.01 0.03 -0.04 1.41 1.51 2dvlB1 ASP 78 H 0.07 0.65 -0.00 -0.55 8.40 8.58 2dvlB1 ASP 78 HA -0.00 0.17 0.56 -0.75 4.63 4.60 2dvlB1 ASP 78 HB2 -0.02 0.18 -0.26 -0.04 2.71 2.58 2dvlB1 ASP 78 HB3 -0.04 -0.12 0.14 -0.04 2.70 2.63 2dvlB1 PRO 79 HA 0.03 0.05 0.44 -0.51 4.44 4.44 2dvlB1 PRO 79 HB2 -0.02 -0.09 0.06 -0.04 2.28 2.20 2dvlB1 PRO 79 HB3 0.04 0.04 0.06 -0.04 2.02 2.12 2dvlB1 PRO 79 HG2 0.04 0.00 0.04 -0.04 2.03 2.08 2dvlB1 PRO 79 HG3 0.15 0.26 0.07 -0.04 2.03 2.47 2dvlB1 PRO 79 HD2 -0.08 0.01 0.13 -0.04 3.68 3.69 2dvlB1 PRO 79 HD3 0.08 0.36 -0.09 -0.04 3.65 3.96 2dvlB1 SER 80 H -0.05 0.15 -0.25 -0.55 8.46 7.76 2dvlB1 SER 80 HA -0.06 0.09 0.41 -0.75 4.49 4.18 2dvlB1 SER 80 HB2 -0.07 0.06 -0.00 -0.04 3.95 3.90 2dvlB1 SER 80 HB3 -0.08 0.08 -0.18 -0.04 3.93 3.71 2dvlB1 VAL 81 H -0.08 0.17 -0.19 -0.55 8.24 7.60 2dvlB1 VAL 81 HA -0.17 0.06 0.36 -0.75 4.13 3.63 2dvlB1 VAL 81 HB -0.07 0.17 0.07 -0.04 2.12 2.24 2dvlB1 VAL 81 HG13 -0.09 -0.00 -0.15 -0.04 0.97 0.68 2dvlB1 VAL 81 HG23 -0.17 -0.01 0.01 -0.04 0.95 0.74 2dvlB1 ALA 82 H -0.03 0.45 -0.30 -0.55 8.40 7.97 2dvlB1 ALA 82 HA -0.01 0.03 0.35 -0.75 4.34 3.96 2dvlB1 ALA 82 HB3 0.00 0.02 -0.10 -0.04 1.41 1.29 2dvlB1 VAL 83 H -0.02 0.55 -0.12 -0.55 8.24 8.11 2dvlB1 VAL 83 HA 0.05 0.03 0.40 -0.75 4.13 3.84 2dvlB1 VAL 83 HB -0.04 0.04 0.10 -0.04 2.12 2.18 2dvlB1 VAL 83 HG13 -0.07 0.08 0.08 -0.04 0.97 1.01 2dvlB1 VAL 83 HG23 -0.19 -0.02 -0.05 -0.04 0.95 0.65 2dvlB1 ILE 84 H -0.05 0.46 -0.16 -0.55 8.25 7.94 2dvlB1 ILE 84 HA 0.01 -0.00 0.35 -0.75 4.18 3.77 2dvlB1 ILE 84 HB -0.13 0.13 0.12 -0.04 1.89 1.97 2dvlB1 ILE 84 HG12 -0.02 -0.05 0.02 -0.04 1.49 1.39 2dvlB1 ILE 84 HG13 -0.10 0.10 0.10 -0.04 1.21 1.27 2dvlB1 ILE 84 HG23 -0.07 -0.00 -0.11 -0.04 0.93 0.71 2dvlB1 ILE 84 HD13 -0.48 -0.01 -0.03 -0.04 0.88 0.31 2dvlB1 VAL 85 H -0.01 0.48 -0.24 -0.55 8.24 7.92 2dvlB1 VAL 85 HA 0.05 0.04 0.40 -0.75 4.13 3.86 2dvlB1 VAL 85 HB 0.04 0.09 0.15 -0.04 2.12 2.36 2dvlB1 VAL 85 HG13 0.10 -0.01 -0.15 -0.04 0.97 0.86 2dvlB1 VAL 85 HG23 0.01 0.09 -0.01 -0.04 0.95 0.99 2dvlB1 SER 86 H 0.07 0.64 -0.10 -0.55 8.46 8.53 2dvlB1 SER 86 HA 0.22 -0.00 0.25 -0.75 4.49 4.19 2dvlB1 SER 86 HB2 0.18 -0.10 0.02 -0.04 3.95 4.01 2dvlB1 SER 86 HB3 0.10 0.04 0.07 -0.04 3.93 4.10 2dvlB1 VAL 87 H 0.08 0.41 -0.52 -0.55 8.24 7.66 2dvlB1 VAL 87 HA 0.10 -0.01 0.75 -0.75 4.13 4.21 2dvlB1 VAL 87 HB 0.07 0.15 0.18 -0.04 2.12 2.47 2dvlB1 VAL 87 HG13 0.12 -0.01 -0.06 -0.04 0.97 0.98 2dvlB1 VAL 87 HG23 0.08 0.02 0.00 -0.04 0.95 1.00 2dvlB1 THR 88 H 0.08 0.73 0.17 -0.55 8.28 8.71 2dvlB1 THR 88 HA 0.09 -0.00 0.36 -0.75 4.39 4.09 2dvlB1 THR 88 HB 0.09 0.05 0.22 -0.04 4.32 4.64 2dvlB1 THR 88 HG23 0.09 0.07 0.09 -0.04 1.22 1.43 2dvlB1 SER 89 H 0.11 0.58 -0.25 -0.55 8.46 8.36 2dvlB1 SER 89 HA 0.07 0.15 0.75 -0.75 4.49 4.71 2dvlB1 SER 89 HB2 0.07 -0.24 0.01 -0.04 3.95 3.74 2dvlB1 SER 89 HB3 0.10 0.27 -0.10 -0.04 3.93 4.16 2dvlB1 GLY 90 H 0.09 0.31 -0.87 -0.55 8.43 7.42 2dvlB1 GLY 90 HA2 0.07 0.08 0.57 -0.51 4.01 4.22 2dvlB1 GLY 90 HA3 0.07 0.12 0.47 -0.51 4.01 4.16 2dvlB1 LEU 91 H -0.06 0.15 0.13 -0.55 8.37 8.04 2dvlB1 LEU 91 HA -0.04 -0.00 0.31 -0.75 4.35 3.87 2dvlB1 LEU 91 HB2 -0.34 0.05 0.09 -0.04 1.64 1.39 2dvlB1 LEU 91 HB3 -0.38 -0.02 -0.06 -0.04 1.64 1.14 2dvlB1 LEU 91 HG -0.34 0.02 0.05 -0.04 1.64 1.33 2dvlB1 LEU 91 HD13 -1.42 -0.01 -0.03 -0.04 0.93 -0.57 2dvlB1 LEU 91 HD23 -0.29 0.01 -0.03 -0.04 0.89 0.53 2dvlB1 PRO 92 HA 0.13 -0.00 0.35 -0.51 4.44 4.41 2dvlB1 PRO 92 HB2 0.10 0.24 -0.03 -0.04 2.28 2.55 2dvlB1 PRO 92 HB3 0.11 -0.01 -0.05 -0.04 2.02 2.03 2dvlB1 PRO 92 HG2 0.13 0.08 -0.33 -0.04 2.03 1.87 2dvlB1 PRO 92 HG3 0.21 0.02 -0.28 -0.04 2.03 1.94 2dvlB1 PRO 92 HD2 0.09 0.38 -0.20 -0.04 3.68 3.91 2dvlB1 PRO 92 HD3 0.10 -0.06 -0.01 -0.04 3.65 3.64 2dvlB1 GLN 93 H 0.07 0.33 -0.38 -0.55 8.47 7.95 2dvlB1 GLN 93 HA 0.01 0.02 0.49 -0.75 4.36 4.12 2dvlB1 GLN 93 HB2 0.04 0.14 -0.12 -0.04 2.15 2.17 2dvlB1 GLN 93 HB3 -0.01 -0.05 -0.05 -0.04 2.02 1.88 2dvlB1 GLN 93 HG2 0.04 -0.07 -0.01 -0.04 2.40 2.33 2dvlB1 GLN 93 HG3 0.07 0.18 0.03 -0.04 2.39 2.63 2dvlB1 GLN 93 HE21 0.08 0.55 -0.09 -0.04 6.97 7.46 2dvlB1 GLN 93 HE22 0.09 0.07 -0.18 -0.04 7.69 7.63 2dvlB1 TYR 94 H 0.12 0.45 -0.30 -0.55 8.29 8.01 2dvlB1 TYR 94 HA -0.12 0.11 0.47 -0.75 4.56 4.27 2dvlB1 TYR 94 HB2 -0.08 0.08 -0.09 -0.04 3.06 2.94 2dvlB1 TYR 94 HB3 -0.05 -0.05 0.04 -0.04 2.98 2.88 2dvlB1 TYR 94 HD2 -0.03 0.03 -0.18 -0.04 7.15 6.93 2dvlB1 TYR 94 HE2 0.07 0.00 -0.09 -0.04 6.85 6.79 2dvlB1 MET 95 H 0.16 0.80 -0.02 -0.55 8.47 8.86 2dvlB1 MET 95 HA 0.18 0.03 0.39 -0.75 4.52 4.37 2dvlB1 MET 95 HB2 0.14 0.13 0.03 -0.04 2.15 2.41 2dvlB1 MET 95 HB3 0.17 -0.06 -0.12 -0.04 2.03 1.98 2dvlB1 MET 95 HG2 0.38 -0.02 -0.14 -0.04 2.63 2.80 2dvlB1 MET 95 HG3 0.21 0.08 0.01 -0.04 2.56 2.82 2dvlB1 MET 95 HE3 0.24 -0.01 -0.13 -0.04 2.10 2.16 2dvlB1 LEU 96 H -0.02 0.48 -0.19 -0.55 8.37 8.10 2dvlB1 LEU 96 HA -0.07 -0.04 0.34 -0.75 4.35 3.83 2dvlB1 LEU 96 HB2 -0.08 0.10 0.09 -0.04 1.64 1.72 2dvlB1 LEU 96 HB3 -0.12 -0.07 -0.08 -0.04 1.64 1.32 2dvlB1 LEU 96 HG 0.02 0.12 0.02 -0.04 1.64 1.77 2dvlB1 LEU 96 HD13 0.08 -0.02 -0.21 -0.04 0.93 0.73 2dvlB1 LEU 96 HD23 0.04 -0.03 -0.12 -0.04 0.89 0.73 2dvlB1 LEU 97 H -0.23 0.37 -0.36 -0.55 8.37 7.60 2dvlB1 LEU 97 HA -0.46 0.01 0.36 -0.75 4.35 3.50 2dvlB1 LEU 97 HB2 -0.26 0.07 0.15 -0.04 1.64 1.56 2dvlB1 LEU 97 HB3 -0.34 0.09 0.18 -0.04 1.64 1.53 2dvlB1 LEU 97 HG -0.26 -0.00 -0.23 -0.04 1.64 1.10 2dvlB1 LEU 97 HD13 -0.19 -0.02 0.03 -0.04 0.93 0.71 2dvlB1 LEU 97 HD23 -0.16 -0.01 0.05 -0.04 0.89 0.73 2dvlB1 ARG 98 H -0.57 0.46 -0.08 -0.55 8.46 7.72 2dvlB1 ARG 98 HA -0.46 0.13 0.63 -0.75 4.34 3.88 2dvlB1 ARG 98 HB2 -1.28 0.08 0.10 -0.04 1.90 0.77 2dvlB1 ARG 98 HB3 -1.26 -0.06 0.03 -0.04 1.80 0.47 2dvlB1 ARG 98 HG2 -0.45 -0.03 0.02 -0.04 1.67 1.17 2dvlB1 ARG 98 HG3 -0.59 -0.01 -0.02 -0.04 1.67 1.01 2dvlB1 ARG 98 HD2 -1.60 0.04 -0.01 -0.04 3.22 1.61 2dvlB1 ARG 98 HD3 -0.50 -0.05 -0.02 -0.04 3.22 2.62 2dvlB1 PHE 99 H -0.40 0.50 -0.12 -0.55 8.34 7.77 2dvlB1 PHE 99 HA -0.21 0.20 1.01 -0.75 4.62 4.86 2dvlB1 PHE 99 HB2 -0.50 0.06 -0.05 -0.04 3.15 2.63 2dvlB1 PHE 99 HB3 -0.70 -0.14 0.06 -0.04 3.06 2.25 2dvlB1 PHE 99 HD2 -0.27 0.01 -0.02 -0.04 7.28 6.96 2dvlB1 PHE 99 HE2 0.12 0.01 -0.04 -0.04 7.38 7.42 2dvlB1 PHE 99 HZ 0.16 -0.01 -0.04 -0.04 7.32 7.39 2dvlB1 GLY 100 H -0.17 0.42 0.00 -0.55 8.43 8.14 2dvlB1 GLY 100 HA2 -0.02 -0.04 0.60 -0.51 4.01 4.04 2dvlB1 GLY 100 HA3 -0.09 0.03 0.39 -0.51 4.01 3.84 2dvlB1 SER 101 H 0.00 0.05 0.21 -0.55 8.46 8.18 2dvlB1 SER 101 HA -0.01 0.25 0.62 -0.75 4.49 4.60 2dvlB1 SER 101 HB2 0.03 -0.05 0.21 -0.04 3.95 4.10 2dvlB1 SER 101 HB3 0.03 0.15 0.17 -0.04 3.93 4.24 2dvlB1 GLU 102 H 0.03 0.20 0.19 -0.55 8.60 8.47 2dvlB1 GLU 102 HA 0.07 0.18 0.41 -0.75 4.29 4.20 2dvlB1 GLU 102 HB2 0.07 -0.02 0.20 -0.04 2.09 2.30 2dvlB1 GLU 102 HB3 0.10 0.03 -0.02 -0.04 1.99 2.06 2dvlB1 GLU 102 HG2 0.12 0.01 0.04 -0.04 2.34 2.47 2dvlB1 GLU 102 HG3 0.27 0.03 0.06 -0.04 2.34 2.66 2dvlB1 ALA 103 H 0.04 0.06 -0.13 -0.55 8.40 7.82 2dvlB1 ALA 103 HA 0.04 0.16 0.48 -0.75 4.34 4.26 2dvlB1 ALA 103 HB3 0.03 0.03 0.05 -0.04 1.41 1.48 2dvlB1 GLN 104 H 0.02 0.04 -0.25 -0.55 8.47 7.73 2dvlB1 GLN 104 HA 0.07 0.12 0.46 -0.75 4.36 4.26 2dvlB1 GLN 104 HB2 0.02 0.03 0.16 -0.04 2.15 2.32 2dvlB1 GLN 104 HB3 0.19 0.04 0.02 -0.04 2.02 2.24 2dvlB1 GLN 104 HG2 0.19 0.13 0.04 -0.04 2.40 2.72 2dvlB1 GLN 104 HG3 0.08 -0.15 0.10 -0.04 2.39 2.38 2dvlB1 GLN 104 HE21 0.09 0.30 -0.07 -0.04 6.97 7.25 2dvlB1 GLN 104 HE22 0.15 0.32 0.09 -0.04 7.69 8.21 2dvlB1 LYS 105 H -0.15 0.73 -0.11 -0.55 8.42 8.34 2dvlB1 LYS 105 HA -0.32 -0.08 0.38 -0.75 4.32 3.55 2dvlB1 LYS 105 HB2 -0.66 0.06 0.08 -0.04 1.87 1.30 2dvlB1 LYS 105 HB3 -2.09 -0.00 -0.02 -0.04 1.79 -0.37 2dvlB1 LYS 105 HG2 -0.64 -0.10 -0.19 -0.04 1.46 0.50 2dvlB1 LYS 105 HG3 -0.38 0.03 -0.16 -0.04 1.46 0.92 2dvlB1 LYS 105 HD2 -1.43 -0.09 -0.03 -0.04 1.69 0.10 2dvlB1 LYS 105 HD3 -0.52 0.26 0.05 -0.04 1.68 1.43 2dvlB1 LYS 105 HE2 -0.19 0.13 -0.40 -0.04 2.99 2.49 2dvlB1 LYS 105 HE3 -0.22 -0.13 -0.15 -0.04 2.99 2.45 2dvlB1 ARG 106 H -0.01 0.25 -0.49 -0.55 8.46 7.66 2dvlB1 ARG 106 HA 0.30 0.08 0.48 -0.75 4.34 4.45 2dvlB1 ARG 106 HB2 0.06 0.02 0.19 -0.04 1.90 2.13 2dvlB1 ARG 106 HB3 0.07 -0.03 -0.01 -0.04 1.80 1.79 2dvlB1 ARG 106 HG2 0.42 -0.02 0.03 -0.04 1.67 2.06 2dvlB1 ARG 106 HG3 0.27 0.29 0.10 -0.04 1.67 2.28 2dvlB1 ARG 106 HD2 0.07 -0.00 -0.00 -0.04 3.22 3.25 2dvlB1 ARG 106 HD3 0.10 -0.03 -0.01 -0.04 3.22 3.23 2dvlB1 ARG 107 H -0.10 0.38 -0.10 -0.55 8.46 8.08 2dvlB1 ARG 107 HA -0.16 0.22 0.86 -0.75 4.34 4.51 2dvlB1 ARG 107 HB2 -0.22 -0.02 0.10 -0.04 1.90 1.72 2dvlB1 ARG 107 HB3 -0.14 -0.03 0.04 -0.04 1.80 1.62 2dvlB1 ARG 107 HG2 -0.29 0.13 0.07 -0.04 1.67 1.54 2dvlB1 ARG 107 HG3 -1.11 0.03 -0.20 -0.04 1.67 0.35 2dvlB1 ARG 107 HD2 -0.42 0.00 -0.06 -0.04 3.22 2.70 2dvlB1 ARG 107 HD3 -0.16 -0.03 -0.03 -0.04 3.22 2.96 2dvlB1 TYR 108 H -0.02 0.42 -0.10 -0.55 8.29 8.05 2dvlB1 TYR 108 HA 0.12 0.21 0.95 -0.75 4.56 5.08 2dvlB1 TYR 108 HB2 0.06 0.10 0.07 -0.04 3.06 3.25 2dvlB1 TYR 108 HB3 0.17 -0.05 -0.11 -0.04 2.98 2.96 2dvlB1 TYR 108 HD2 0.49 -0.01 -0.03 -0.04 7.15 7.57 2dvlB1 TYR 108 HE2 0.25 0.00 -0.08 -0.04 6.85 6.98 2dvlB1 LEU 109 H 0.02 0.19 0.11 -0.55 8.37 8.15 2dvlB1 LEU 109 HA 0.02 -0.00 0.38 -0.75 4.35 4.00 2dvlB1 LEU 109 HB2 -0.22 -0.12 0.11 -0.04 1.64 1.37 2dvlB1 LEU 109 HB3 -0.23 0.32 0.27 -0.04 1.64 1.96 2dvlB1 LEU 109 HG -0.04 0.14 -0.10 -0.04 1.64 1.60 2dvlB1 LEU 109 HD13 -0.08 -0.03 0.07 -0.04 0.93 0.85 2dvlB1 LEU 109 HD23 -0.70 -0.01 -0.04 -0.04 0.89 0.09 2dvlB1 VAL 110 H 0.03 0.35 -0.10 -0.55 8.24 7.97 2dvlB1 VAL 110 HA 0.08 0.35 0.37 -0.75 4.13 4.17 2dvlB1 VAL 110 HB -0.04 0.13 -0.00 -0.04 2.12 2.17 2dvlB1 VAL 110 HG13 -0.02 -0.04 -0.21 -0.04 0.97 0.66 2dvlB1 VAL 110 HG23 0.25 0.02 0.01 -0.04 0.95 1.19 2dvlB1 PRO 111 HA -0.27 0.04 0.43 -0.51 4.44 4.13 2dvlB1 PRO 111 HB2 -1.54 -0.06 -0.08 -0.04 2.28 0.56 2dvlB1 PRO 111 HB3 -0.93 0.02 0.01 -0.04 2.02 1.08 2dvlB1 PRO 111 HG2 -0.52 0.18 -0.06 -0.04 2.03 1.59 2dvlB1 PRO 111 HG3 -1.31 0.22 -0.04 -0.04 2.03 0.86 2dvlB1 PRO 111 HD2 -0.17 -0.12 -0.85 -0.04 3.68 2.50 2dvlB1 PRO 111 HD3 -0.32 0.15 -0.17 -0.04 3.65 3.27 2dvlB1 LEU 112 H -0.01 0.46 -0.43 -0.55 8.37 7.84 2dvlB1 LEU 112 HA 0.17 0.09 0.52 -0.75 4.35 4.38 2dvlB1 LEU 112 HB2 0.09 0.15 0.21 -0.04 1.64 2.05 2dvlB1 LEU 112 HB3 0.11 0.03 -0.02 -0.04 1.64 1.72 2dvlB1 LEU 112 HG 0.32 0.12 -0.07 -0.04 1.64 1.97 2dvlB1 LEU 112 HD13 0.15 -0.04 -0.20 -0.04 0.93 0.79 2dvlB1 LEU 112 HD23 0.26 -0.00 -0.21 -0.04 0.89 0.90 2dvlB1 ALA 113 H 0.04 0.74 0.12 -0.55 8.40 8.75 2dvlB1 ALA 113 HA 0.05 0.02 0.32 -0.75 4.34 3.98 2dvlB1 ALA 113 HB3 0.06 -0.00 -0.14 -0.04 1.41 1.28 2dvlB1 ARG 114 H 0.00 0.47 -0.31 -0.55 8.46 8.08 2dvlB1 ARG 114 HA 0.02 0.17 0.53 -0.75 4.34 4.30 2dvlB1 ARG 114 HB2 -0.05 -0.06 0.05 -0.04 1.90 1.80 2dvlB1 ARG 114 HB3 -0.01 -0.07 0.06 -0.04 1.80 1.74 2dvlB1 ARG 114 HG2 -0.00 0.07 0.09 -0.04 1.67 1.79 2dvlB1 ARG 114 HG3 0.00 0.05 0.12 -0.04 1.67 1.80 2dvlB1 ARG 114 HD2 -0.02 -0.08 -0.03 -0.04 3.22 3.05 2dvlB1 ARG 114 HD3 -0.06 -0.04 -0.13 -0.04 3.22 2.95 2dvlB1 GLY 115 H 0.05 0.41 -0.65 -0.55 8.43 7.70 2dvlB1 GLY 115 HA2 0.12 0.14 0.30 -0.51 4.01 4.07 2dvlB1 GLY 115 HA3 0.09 -0.07 0.45 -0.51 4.01 3.98 2dvlB1 GLU 116 H 0.00 0.41 -0.01 -0.55 8.60 8.45 2dvlB1 GLU 116 HA 0.07 0.05 0.50 -0.75 4.29 4.15 2dvlB1 GLU 116 HB2 -0.31 -0.03 0.10 -0.04 2.09 1.81 2dvlB1 GLU 116 HB3 -0.08 -0.07 0.03 -0.04 1.99 1.83 2dvlB1 GLU 116 HG2 -0.04 0.00 -0.06 -0.04 2.34 2.20 2dvlB1 GLU 116 HG3 -0.07 0.03 -0.10 -0.04 2.34 2.16 2dvlB1 TRP 117 H 0.21 0.48 -0.03 -0.55 7.97 8.08 2dvlB1 TRP 117 HA 0.10 0.18 0.85 -0.75 4.62 5.00 2dvlB1 TRP 117 HB2 0.09 0.01 -0.26 -0.04 3.23 3.03 2dvlB1 TRP 117 HB3 0.14 -0.09 -0.10 -0.04 3.23 3.13 2dvlB1 TRP 117 HD1 -0.08 0.30 -0.41 -0.04 7.22 7.00 2dvlB1 TRP 117 HE1 -0.31 -0.00 -0.07 -0.04 10.20 9.78 2dvlB1 TRP 117 HE3 0.23 -0.03 -0.12 -0.04 7.59 7.63 2dvlB1 TRP 117 HZ2 -0.13 -0.03 -0.02 -0.04 7.44 7.22 2dvlB1 TRP 117 HZ3 0.75 -0.06 -0.01 -0.04 7.13 7.77 2dvlB1 TRP 117 HH2 0.20 -0.02 -0.01 -0.04 7.19 7.32 2dvlB1 ILE 118 H 0.32 0.12 0.19 -0.55 8.25 8.33 2dvlB1 ILE 118 HA 0.21 0.21 0.83 -0.75 4.18 4.68 2dvlB1 ILE 118 HB 0.27 -0.00 0.07 -0.04 1.89 2.19 2dvlB1 ILE 118 HG12 0.54 0.02 -0.20 -0.04 1.49 1.81 2dvlB1 ILE 118 HG13 0.27 -0.02 -0.09 -0.04 1.21 1.33 2dvlB1 ILE 118 HG23 0.10 0.01 -0.13 -0.04 0.93 0.86 2dvlB1 ILE 118 HD13 0.18 0.03 -0.07 -0.04 0.88 0.98 2dvlB1 GLY 119 H 0.12 0.19 0.18 -0.55 8.43 8.38 2dvlB1 GLY 119 HA2 -0.02 0.21 0.95 -0.51 4.01 4.64 2dvlB1 GLY 119 HA3 0.08 0.03 0.32 -0.51 4.01 3.94 2dvlB1 ALA 120 H -0.07 0.44 0.32 -0.55 8.40 8.55 2dvlB1 ALA 120 HA 0.08 0.14 0.69 -0.75 4.34 4.50 2dvlB1 ALA 120 HB3 -0.08 0.02 -0.14 -0.04 1.41 1.17 2dvlB1 PHE 121 H 0.24 0.23 0.18 -0.55 8.34 8.44 2dvlB1 PHE 121 HA 0.09 0.20 0.97 -0.75 4.62 5.12 2dvlB1 PHE 121 HB2 0.07 0.01 0.00 -0.04 3.15 3.19 2dvlB1 PHE 121 HB3 0.08 -0.02 0.14 -0.04 3.06 3.22 2dvlB1 PHE 121 HD2 0.07 -0.01 -0.07 -0.04 7.28 7.24 2dvlB1 PHE 121 HE2 0.05 -0.02 -0.11 -0.04 7.38 7.26 2dvlB1 PHE 121 HZ 0.04 -0.03 -0.11 -0.04 7.32 7.18 2dvlB1 CYS 122 H -0.54 0.76 0.23 -0.55 8.50 8.41 2dvlB1 CYS 122 HA -0.08 0.14 1.00 -0.75 4.58 4.89 2dvlB1 CYS 122 HB2 -0.10 -0.07 0.17 -0.04 2.97 2.93 2dvlB1 CYS 122 HB3 -0.04 0.01 -0.01 -0.04 2.97 2.89 2dvlB1 LEU 123 H -0.08 0.09 0.11 -0.55 8.37 7.94 2dvlB1 LEU 123 HA -0.15 0.21 1.02 -0.75 4.35 4.68 2dvlB1 LEU 123 HB2 -0.07 -0.01 -0.09 -0.04 1.64 1.44 2dvlB1 LEU 123 HB3 0.17 -0.07 0.13 -0.04 1.64 1.83 2dvlB1 LEU 123 HG 0.09 0.03 -0.19 -0.04 1.64 1.53 2dvlB1 LEU 123 HD13 0.02 0.01 0.02 -0.04 0.93 0.94 2dvlB1 LEU 123 HD23 0.25 -0.02 -0.05 -0.04 0.89 1.02 2dvlB1 THR 124 H 0.09 -0.01 0.20 -0.55 8.28 8.01 2dvlB1 THR 124 HA 0.08 0.14 0.51 -0.75 4.39 4.36 2dvlB1 THR 124 HB 0.18 0.25 0.15 -0.04 4.32 4.86 2dvlB1 THR 124 HG23 0.21 -0.02 -0.10 -0.04 1.22 1.27 2dvlB1 GLU 125 H 0.08 0.86 0.46 -0.55 8.60 9.45 2dvlB1 GLU 125 HA 0.04 0.19 0.95 -0.75 4.29 4.71 2dvlB1 GLU 125 HB2 0.03 -0.02 0.25 -0.04 2.09 2.31 2dvlB1 GLU 125 HB3 0.02 -0.10 0.18 -0.04 1.99 2.05 2dvlB1 GLU 125 HG2 0.00 0.34 0.26 -0.04 2.34 2.90 2dvlB1 GLU 125 HG3 0.01 0.23 -0.13 -0.04 2.34 2.41 2dvlB1 PRO 126 HA 0.07 0.05 0.32 -0.51 4.44 4.38 2dvlB1 PRO 126 HB2 0.01 0.02 0.03 -0.04 2.28 2.30 2dvlB1 PRO 126 HB3 0.01 0.05 0.05 -0.04 2.02 2.10 2dvlB1 PRO 126 HG2 -0.01 0.06 0.02 -0.04 2.03 2.06 2dvlB1 PRO 126 HG3 -0.02 0.01 -0.01 -0.04 2.03 1.98 2dvlB1 PRO 126 HD2 0.01 0.12 0.22 -0.04 3.68 3.99 2dvlB1 PRO 126 HD3 0.01 0.18 0.10 -0.04 3.65 3.91 2dvlB1 GLN 127 H 0.03 0.02 -0.37 -0.55 8.47 7.60 2dvlB1 GLN 127 HA 0.04 0.22 0.88 -0.75 4.36 4.74 2dvlB1 GLN 127 HB2 0.02 -0.05 0.03 -0.04 2.15 2.10 2dvlB1 GLN 127 HB3 0.02 0.05 -0.03 -0.04 2.02 2.01 2dvlB1 GLN 127 HG2 0.01 0.00 -0.01 -0.04 2.40 2.37 2dvlB1 GLN 127 HG3 0.02 0.00 0.07 -0.04 2.39 2.43 2dvlB1 GLN 127 HE21 0.02 0.03 -0.18 -0.04 6.97 6.81 2dvlB1 GLN 127 HE22 0.02 -0.08 -0.22 -0.04 7.69 7.36 2dvlB1 ALA 128 H 0.04 0.20 -0.13 -0.55 8.40 7.97 2dvlB1 ALA 128 HA 0.03 0.11 0.93 -0.75 4.34 4.66 2dvlB1 ALA 128 HB3 0.02 0.07 -0.09 -0.04 1.41 1.36 2dvlB1 GLY 129 H 0.04 0.04 -0.01 -0.55 8.43 7.95 2dvlB1 GLY 129 HA2 0.07 0.19 0.91 -0.51 4.01 4.67 2dvlB1 GLY 129 HA3 0.05 0.06 0.30 -0.51 4.01 3.91 2dvlB1 SER 130 H 0.02 0.19 0.14 -0.55 8.46 8.26 2dvlB1 SER 130 HA 0.01 0.09 0.44 -0.75 4.49 4.28 2dvlB1 SER 130 HB2 0.01 0.03 0.08 -0.04 3.95 4.03 2dvlB1 SER 130 HB3 0.00 0.03 0.09 -0.04 3.93 4.02 2dvlB1 ASP 131 H 0.02 -0.04 -0.37 -0.55 8.40 7.47 2dvlB1 ASP 131 HA 0.01 0.18 0.71 -0.75 4.63 4.78 2dvlB1 ASP 131 HB2 0.01 0.01 0.01 -0.04 2.71 2.69 2dvlB1 ASP 131 HB3 0.01 0.03 0.12 -0.04 2.70 2.82 2dvlB1 ALA 132 H 0.02 0.37 -0.28 -0.55 8.40 7.96 2dvlB1 ALA 132 HA 0.03 0.12 0.27 -0.75 4.34 4.00 2dvlB1 ALA 132 HB3 0.05 0.03 0.00 -0.04 1.41 1.44 2dvlB1 LYS 133 H 0.01 0.10 -0.16 -0.55 8.42 7.81 2dvlB1 LYS 133 HA -0.01 0.03 0.28 -0.75 4.32 3.86 2dvlB1 LYS 133 HB2 -0.01 -0.02 0.08 -0.04 1.87 1.88 2dvlB1 LYS 133 HB3 -0.00 0.01 -0.05 -0.04 1.79 1.70 2dvlB1 LYS 133 HG2 -0.01 0.05 0.07 -0.04 1.46 1.53 2dvlB1 LYS 133 HG3 -0.02 -0.02 0.10 -0.04 1.46 1.48 2dvlB1 LYS 133 HD2 -0.01 -0.02 0.01 -0.04 1.69 1.62 2dvlB1 LYS 133 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.62 2dvlB1 LYS 133 HE2 -0.01 0.02 0.01 -0.04 2.99 2.97 2dvlB1 LYS 133 HE3 -0.02 -0.01 0.02 -0.04 2.99 2.94 2dvlB1 SER 134 H 0.01 0.19 -1.38 -0.55 8.46 6.73 2dvlB1 SER 134 HA -0.00 0.19 0.77 -0.75 4.49 4.70 2dvlB1 SER 134 HB2 0.00 -0.00 0.12 -0.04 3.95 4.03 2dvlB1 SER 134 HB3 0.00 -0.06 -0.22 -0.04 3.93 3.61 2dvlB1 LEU 135 H 0.00 0.36 0.10 -0.55 8.37 8.29 2dvlB1 LEU 135 HA 0.01 -0.00 0.51 -0.75 4.35 4.12 2dvlB1 LEU 135 HB2 0.00 -0.08 0.17 -0.04 1.64 1.69 2dvlB1 LEU 135 HB3 0.01 0.05 0.18 -0.04 1.64 1.84 2dvlB1 LEU 135 HG -0.01 -0.04 0.03 -0.04 1.64 1.57 2dvlB1 LEU 135 HD13 -0.01 0.02 -0.21 -0.04 0.93 0.68 2dvlB1 LEU 135 HD23 -0.01 0.05 -0.02 -0.04 0.89 0.88 2dvlB1 ARG 136 H 0.00 0.06 0.19 -0.55 8.46 8.16 2dvlB1 ARG 136 HA 0.00 0.29 0.95 -0.75 4.34 4.83 2dvlB1 ARG 136 HB2 0.00 -0.07 0.10 -0.04 1.90 1.89 2dvlB1 ARG 136 HB3 0.00 -0.00 0.18 -0.04 1.80 1.93 2dvlB1 ARG 136 HG2 0.00 0.10 -0.15 -0.04 1.67 1.58 2dvlB1 ARG 136 HG3 0.00 0.05 -0.24 -0.04 1.67 1.45 2dvlB1 ARG 136 HD2 0.00 -0.01 -0.01 -0.04 3.22 3.16 2dvlB1 ARG 136 HD3 0.00 0.03 -0.03 -0.04 3.22 3.18 2dvlB1 ALA 137 H -0.00 0.08 0.04 -0.55 8.40 7.97 2dvlB1 ALA 137 HA -0.01 0.10 0.74 -0.75 4.34 4.42 2dvlB1 ALA 137 HB3 -0.00 0.02 0.14 -0.04 1.41 1.53 2dvlB1 GLU 138 H -0.00 0.59 0.47 -0.55 8.60 9.11 2dvlB1 GLU 138 HA 0.03 0.22 1.00 -0.75 4.29 4.78 2dvlB1 GLU 138 HB2 0.00 -0.02 0.18 -0.04 2.09 2.22 2dvlB1 GLU 138 HB3 0.02 -0.05 0.06 -0.04 1.99 1.98 2dvlB1 GLU 138 HG2 0.01 0.01 -0.08 -0.04 2.34 2.24 2dvlB1 GLU 138 HG3 0.00 0.16 0.03 -0.04 2.34 2.49 2dvlB1 ALA 139 H 0.05 0.49 0.24 -0.55 8.40 8.64 2dvlB1 ALA 139 HA -0.00 0.22 0.68 -0.75 4.34 4.48 2dvlB1 ALA 139 HB3 0.09 -0.01 -0.24 -0.04 1.41 1.21 2dvlB1 ARG 140 H 0.07 0.43 0.21 -0.55 8.46 8.61 2dvlB1 ARG 140 HA 0.12 0.11 0.98 -0.75 4.34 4.79 2dvlB1 ARG 140 HB2 0.05 0.04 0.03 -0.04 1.90 1.99 2dvlB1 ARG 140 HB3 0.05 0.01 0.03 -0.04 1.80 1.85 2dvlB1 ARG 140 HG2 0.04 0.11 0.10 -0.04 1.67 1.88 2dvlB1 ARG 140 HG3 0.05 -0.08 -0.10 -0.04 1.67 1.50 2dvlB1 ARG 140 HD2 0.03 0.03 -0.08 -0.04 3.22 3.16 2dvlB1 ARG 140 HD3 0.02 0.00 -0.03 -0.04 3.22 3.17 2dvlB1 ARG 141 H 0.12 0.09 0.19 -0.55 8.46 8.30 2dvlB1 ARG 141 HA -0.13 0.21 0.62 -0.75 4.34 4.29 2dvlB1 ARG 141 HB2 0.03 -0.05 0.21 -0.04 1.90 2.05 2dvlB1 ARG 141 HB3 -0.07 0.03 -0.01 -0.04 1.80 1.70 2dvlB1 ARG 141 HG2 -0.07 0.11 0.06 -0.04 1.67 1.73 2dvlB1 ARG 141 HG3 0.23 -0.08 0.09 -0.04 1.67 1.88 2dvlB1 ARG 141 HD2 0.06 -0.03 0.06 -0.04 3.22 3.27 2dvlB1 ARG 141 HD3 0.01 0.02 0.02 -0.04 3.22 3.23 2dvlB1 VAL 142 H -0.13 0.38 0.10 -0.55 8.24 8.04 2dvlB1 VAL 142 HA -0.00 0.13 0.74 -0.75 4.13 4.24 2dvlB1 VAL 142 HB 0.06 0.03 -0.17 -0.04 2.12 1.99 2dvlB1 VAL 142 HG13 0.25 -0.01 -0.40 -0.04 0.97 0.77 2dvlB1 VAL 142 HG23 0.02 0.03 -0.08 -0.04 0.95 0.88 2dvlB1 LYS 143 H -0.01 0.16 0.06 -0.55 8.42 8.07 2dvlB1 LYS 143 HA -0.03 0.01 0.40 -0.75 4.32 3.94 2dvlB1 LYS 143 HB2 -0.02 0.01 0.17 -0.04 1.87 1.99 2dvlB1 LYS 143 HB3 -0.02 0.03 0.05 -0.04 1.79 1.81 2dvlB1 LYS 143 HG2 -0.02 0.02 0.04 -0.04 1.46 1.46 2dvlB1 LYS 143 HG3 -0.02 -0.03 0.10 -0.04 1.46 1.47 2dvlB1 LYS 143 HD2 -0.02 0.00 0.04 -0.04 1.69 1.68 2dvlB1 LYS 143 HD3 -0.02 0.01 0.02 -0.04 1.68 1.66 2dvlB1 LYS 143 HE2 -0.01 0.00 0.01 -0.04 2.99 2.96 2dvlB1 LYS 143 HE3 -0.01 0.01 0.03 -0.04 2.99 2.97 2dvlB1 GLY 144 H -0.02 0.14 0.24 -0.55 8.43 8.24 2dvlB1 GLY 144 HA2 0.07 -0.03 0.38 -0.51 4.01 3.92 2dvlB1 GLY 144 HA3 0.14 0.22 0.85 -0.51 4.01 4.70 2dvlB1 GLY 145 H 0.00 0.70 -0.08 -0.55 8.43 8.51 2dvlB1 GLY 145 HA2 -0.30 -0.07 0.37 -0.51 4.01 3.49 2dvlB1 GLY 145 HA3 -0.29 0.22 0.54 -0.51 4.01 3.97 2dvlB1 PHE 146 H -0.41 0.44 0.29 -0.55 8.34 8.11 2dvlB1 PHE 146 HA -0.06 0.13 0.78 -0.75 4.62 4.72 2dvlB1 PHE 146 HB2 -0.54 -0.01 -0.13 -0.04 3.15 2.43 2dvlB1 PHE 146 HB3 -0.27 -0.04 -0.12 -0.04 3.06 2.59 2dvlB1 PHE 146 HD2 -0.07 0.04 -0.36 -0.04 7.28 6.85 2dvlB1 PHE 146 HE2 0.12 -0.03 -0.08 -0.04 7.38 7.35 2dvlB1 PHE 146 HZ 0.12 -0.02 -0.05 -0.04 7.32 7.33 2dvlB1 VAL 147 H 0.08 0.42 0.21 -0.55 8.24 8.40 2dvlB1 VAL 147 HA 0.02 0.39 0.90 -0.75 4.13 4.68 2dvlB1 VAL 147 HB 0.04 -0.07 0.09 -0.04 2.12 2.14 2dvlB1 VAL 147 HG13 0.02 0.01 -0.25 -0.04 0.97 0.71 2dvlB1 VAL 147 HG23 0.14 -0.01 -0.24 -0.04 0.95 0.81 2dvlB1 LEU 148 H -0.09 0.72 0.19 -0.55 8.37 8.64 2dvlB1 LEU 148 HA -0.07 0.33 0.98 -0.75 4.35 4.84 2dvlB1 LEU 148 HB2 -0.12 -0.05 -0.02 -0.04 1.64 1.40 2dvlB1 LEU 148 HB3 -0.09 0.02 -0.08 -0.04 1.64 1.45 2dvlB1 LEU 148 HG -0.37 0.03 -0.20 -0.04 1.64 1.06 2dvlB1 LEU 148 HD13 -0.20 -0.00 -0.22 -0.04 0.93 0.47 2dvlB1 LEU 148 HD23 -0.56 -0.01 -0.24 -0.04 0.89 0.05 2dvlB1 ASN 149 H -0.03 0.61 0.30 -0.55 8.53 8.87 2dvlB1 ASN 149 HA -0.04 0.39 0.90 -0.75 4.76 5.25 2dvlB1 ASN 149 HB2 -0.01 -0.03 0.13 -0.04 2.88 2.92 2dvlB1 ASN 149 HB3 -0.02 0.02 0.10 -0.04 2.79 2.85 2dvlB1 ASN 149 HD21 -0.01 0.00 -0.16 -0.04 7.03 6.82 2dvlB1 ASN 149 HD22 -0.01 0.02 -0.17 -0.04 7.74 7.54 2dvlB1 GLY 150 H -0.05 0.66 0.41 -0.55 8.43 8.91 2dvlB1 GLY 150 HA2 -0.02 0.05 0.39 -0.51 4.01 3.91 2dvlB1 GLY 150 HA3 -0.03 0.04 0.63 -0.51 4.01 4.15 2dvlB1 VAL 151 H -0.02 0.22 0.18 -0.55 8.24 8.07 2dvlB1 VAL 151 HA -0.05 0.20 0.93 -0.75 4.13 4.46 2dvlB1 VAL 151 HB -0.02 -0.05 0.12 -0.04 2.12 2.12 2dvlB1 VAL 151 HG13 -0.04 0.00 -0.15 -0.04 0.97 0.74 2dvlB1 VAL 151 HG23 -0.04 -0.00 -0.20 -0.04 0.95 0.66 2dvlB1 LYS 152 H -0.03 0.55 0.25 -0.55 8.42 8.64 2dvlB1 LYS 152 HA 0.01 0.35 1.01 -0.75 4.32 4.93 2dvlB1 LYS 152 HB2 -0.01 -0.04 0.17 -0.04 1.87 1.95 2dvlB1 LYS 152 HB3 0.01 0.00 0.00 -0.04 1.79 1.76 2dvlB1 LYS 152 HG2 -0.03 -0.07 -0.17 -0.04 1.46 1.15 2dvlB1 LYS 152 HG3 -0.04 -0.03 -0.09 -0.04 1.46 1.25 2dvlB1 LYS 152 HD2 -0.03 0.05 -0.33 -0.04 1.69 1.34 2dvlB1 LYS 152 HD3 -0.01 0.02 -0.14 -0.04 1.68 1.51 2dvlB1 LYS 152 HE2 -0.03 -0.14 -0.05 -0.04 2.99 2.73 2dvlB1 LYS 152 HE3 -0.06 -0.04 0.00 -0.04 2.99 2.85 2dvlB1 SER 153 H 0.06 0.58 0.06 -0.55 8.46 8.62 2dvlB1 SER 153 HA -0.05 0.15 0.94 -0.75 4.49 4.77 2dvlB1 SER 153 HB2 -0.19 0.00 -0.09 -0.04 3.95 3.63 2dvlB1 SER 153 HB3 -0.06 0.02 -0.17 -0.04 3.93 3.68 2dvlB1 TRP 154 H -0.28 0.13 -0.08 -0.55 7.97 7.19 2dvlB1 TRP 154 HA 0.03 0.05 0.15 -0.75 4.62 4.09 2dvlB1 TRP 154 HB2 0.04 0.14 -0.22 -0.04 3.23 3.14 2dvlB1 TRP 154 HB3 0.04 -0.01 0.18 -0.04 3.23 3.40 2dvlB1 TRP 154 HD1 0.03 -0.01 -0.26 -0.04 7.22 6.93 2dvlB1 TRP 154 HE1 0.02 0.02 -0.08 -0.04 10.20 10.12 2dvlB1 TRP 154 HE3 0.01 0.01 -0.05 -0.04 7.59 7.52 2dvlB1 TRP 154 HZ2 0.02 0.01 -0.04 -0.04 7.44 7.38 2dvlB1 TRP 154 HZ3 0.01 0.08 -0.08 -0.04 7.13 7.10 2dvlB1 TRP 154 HH2 0.02 0.04 -0.06 -0.04 7.19 7.14 2dvlB1 ILE 155 H 0.09 0.34 -0.24 -0.55 8.25 7.90 2dvlB1 ILE 155 HA 0.17 0.10 0.53 -0.75 4.18 4.22 2dvlB1 ILE 155 HB 0.11 0.02 0.04 -0.04 1.89 2.02 2dvlB1 ILE 155 HG12 0.07 -0.01 -0.27 -0.04 1.49 1.25 2dvlB1 ILE 155 HG13 0.09 -0.04 -0.11 -0.04 1.21 1.10 2dvlB1 ILE 155 HG23 0.20 0.06 -0.26 -0.04 0.93 0.89 2dvlB1 ILE 155 HD13 0.09 0.05 -0.09 -0.04 0.88 0.90 2dvlB1 THR 156 H 0.15 0.14 0.28 -0.55 8.28 8.30 2dvlB1 THR 156 HA 0.12 0.23 0.53 -0.75 4.39 4.53 2dvlB1 THR 156 HB 0.09 -0.07 0.17 -0.04 4.32 4.47 2dvlB1 THR 156 HG23 0.05 0.02 -0.13 -0.04 1.22 1.11 2dvlB1 SER 157 H 0.15 0.81 0.30 -0.55 8.46 9.17 2dvlB1 SER 157 HA 0.09 0.04 0.30 -0.75 4.49 4.17 2dvlB1 SER 157 HB2 0.04 0.33 0.09 -0.04 3.95 4.37 2dvlB1 SER 157 HB3 0.01 -0.12 0.06 -0.04 3.93 3.84 2dvlB1 ALA 158 H 0.07 0.37 -0.45 -0.55 8.40 7.85 2dvlB1 ALA 158 HA 0.13 -0.01 0.19 -0.75 4.34 3.89 2dvlB1 ALA 158 HB3 0.02 -0.01 -0.13 -0.04 1.41 1.26 2dvlB1 GLY 159 H -1.08 0.13 0.05 -0.55 8.43 6.98 2dvlB1 GLY 159 HA2 -1.68 -0.00 0.28 -0.51 4.01 2.10 2dvlB1 GLY 159 HA3 -0.70 0.13 0.43 -0.51 4.01 3.36 2dvlB1 HIS 160 H -0.24 0.49 -0.49 -0.55 8.41 7.63 2dvlB1 HIS 160 HA 0.00 0.17 0.87 -0.75 4.63 4.92 2dvlB1 HIS 160 HB2 -0.58 0.08 0.01 -0.04 3.26 2.73 2dvlB1 HIS 160 HB3 -0.51 -0.07 -0.03 -0.04 3.20 2.55 2dvlB1 HIS 160 HD2 -0.48 -0.02 -0.14 -0.04 6.97 6.29 2dvlB1 HIS 160 HE1 0.09 -0.02 -0.01 -0.04 7.75 7.76 2dvlB1 ALA 161 H -0.11 0.24 0.04 -0.55 8.40 8.02 2dvlB1 ALA 161 HA 0.02 0.04 0.47 -0.75 4.34 4.12 2dvlB1 ALA 161 HB3 -0.51 0.00 -0.22 -0.04 1.41 0.65 2dvlB1 HIS 162 H 0.02 0.30 0.34 -0.55 8.41 8.53 2dvlB1 HIS 162 HA -0.17 0.10 0.63 -0.75 4.63 4.43 2dvlB1 HIS 162 HB2 -0.44 0.06 0.14 -0.04 3.26 2.99 2dvlB1 HIS 162 HB3 -0.64 -0.03 0.12 -0.04 3.20 2.60 2dvlB1 HIS 162 HD2 -2.04 0.00 -0.23 -0.04 6.97 4.66 2dvlB1 HIS 162 HE1 -0.20 0.01 0.00 -0.04 7.75 7.52 2dvlB1 LEU 163 H -0.12 0.26 0.10 -0.55 8.37 8.07 2dvlB1 LEU 163 HA -0.13 0.24 0.91 -0.75 4.35 4.62 2dvlB1 LEU 163 HB2 0.13 0.04 -0.12 -0.04 1.64 1.64 2dvlB1 LEU 163 HB3 0.14 -0.03 0.01 -0.04 1.64 1.71 2dvlB1 LEU 163 HG -0.02 -0.06 -0.40 -0.04 1.64 1.12 2dvlB1 LEU 163 HD13 -0.22 -0.01 -0.18 -0.04 0.93 0.48 2dvlB1 LEU 163 HD23 0.02 0.01 -0.15 -0.04 0.89 0.72 2dvlB1 TYR 164 H 0.11 0.66 0.18 -0.55 8.29 8.69 2dvlB1 TYR 164 HA 0.04 0.17 0.95 -0.75 4.56 4.97 2dvlB1 TYR 164 HB2 0.00 0.08 0.07 -0.04 3.06 3.17 2dvlB1 TYR 164 HB3 0.02 -0.06 -0.20 -0.04 2.98 2.70 2dvlB1 TYR 164 HD2 0.03 0.09 -0.30 -0.04 7.15 6.93 2dvlB1 TYR 164 HE2 0.01 0.02 -0.22 -0.04 6.85 6.62 2dvlB1 VAL 165 H 0.11 0.73 0.28 -0.55 8.24 8.82 2dvlB1 VAL 165 HA 0.06 0.36 0.92 -0.75 4.13 4.72 2dvlB1 VAL 165 HB 0.27 -0.08 0.26 -0.04 2.12 2.53 2dvlB1 VAL 165 HG13 0.17 -0.01 -0.17 -0.04 0.97 0.92 2dvlB1 VAL 165 HG23 0.12 0.01 -0.07 -0.04 0.95 0.96 2dvlB1 VAL 166 H 0.06 0.52 0.19 -0.55 8.24 8.47 2dvlB1 VAL 166 HA -0.09 0.15 0.85 -0.75 4.13 4.28 2dvlB1 VAL 166 HB 0.08 -0.04 -0.03 -0.04 2.12 2.10 2dvlB1 VAL 166 HG13 -0.00 0.00 -0.28 -0.04 0.97 0.65 2dvlB1 VAL 166 HG23 0.02 0.02 -0.22 -0.04 0.95 0.73 2dvlB1 MET 167 H -0.15 0.58 0.30 -0.55 8.47 8.66 2dvlB1 MET 167 HA -0.10 0.25 0.93 -0.75 4.52 4.85 2dvlB1 MET 167 HB2 -0.11 0.05 0.28 -0.04 2.15 2.33 2dvlB1 MET 167 HB3 -0.06 -0.06 -0.01 -0.04 2.03 1.86 2dvlB1 MET 167 HG2 -0.42 0.11 -0.08 -0.04 2.63 2.19 2dvlB1 MET 167 HG3 -0.04 -0.10 -0.08 -0.04 2.56 2.29 2dvlB1 MET 167 HE3 0.07 -0.02 -0.36 -0.04 2.10 1.74 2dvlB1 ALA 168 H -0.07 0.51 0.27 -0.55 8.40 8.57 2dvlB1 ALA 168 HA 0.02 0.16 0.79 -0.75 4.34 4.56 2dvlB1 ALA 168 HB3 0.19 -0.01 -0.36 -0.04 1.41 1.19 2dvlB1 ARG 169 H 0.03 0.93 0.26 -0.55 8.46 9.12 2dvlB1 ARG 169 HA -0.02 0.07 0.75 -0.75 4.34 4.40 2dvlB1 ARG 169 HB2 -0.00 0.01 -0.04 -0.04 1.90 1.83 2dvlB1 ARG 169 HB3 0.01 -0.00 0.03 -0.04 1.80 1.80 2dvlB1 ARG 169 HG2 0.00 0.16 -0.09 -0.04 1.67 1.70 2dvlB1 ARG 169 HG3 -0.01 -0.14 -0.13 -0.04 1.67 1.35 2dvlB1 ARG 169 HD2 0.00 -0.03 -0.09 -0.04 3.22 3.07 2dvlB1 ARG 169 HD3 -0.00 -0.01 -0.05 -0.04 3.22 3.12 2dvlB1 THR 170 H 0.00 0.48 0.24 -0.55 8.28 8.45 2dvlB1 THR 170 HA 0.07 0.38 0.94 -0.75 4.39 5.03 2dvlB1 THR 170 HB 0.13 -0.11 0.24 -0.04 4.32 4.54 2dvlB1 THR 170 HG23 0.07 0.06 -0.16 -0.04 1.22 1.14 2dvlB1 GLU 171 H 0.08 0.16 0.21 -0.55 8.60 8.51 2dvlB1 GLU 171 HA 0.03 0.12 0.41 -0.75 4.29 4.09 2dvlB1 GLU 171 HB2 0.05 -0.02 0.11 -0.04 2.09 2.19 2dvlB1 GLU 171 HB3 0.03 0.05 0.09 -0.04 1.99 2.13 2dvlB1 GLU 171 HG2 0.07 -0.06 0.20 -0.04 2.34 2.52 2dvlB1 GLU 171 HG3 0.05 0.03 0.10 -0.04 2.34 2.47 2dvlB1 LYS 172 H 0.04 0.00 -0.17 -0.55 8.42 7.73 2dvlB1 LYS 172 HA 0.01 0.17 0.58 -0.75 4.32 4.31 2dvlB1 LYS 172 HB2 0.02 -0.09 -0.08 -0.04 1.87 1.68 2dvlB1 LYS 172 HB3 -0.01 0.11 -0.07 -0.04 1.79 1.78 2dvlB1 LYS 172 HG2 0.02 0.04 0.01 -0.04 1.46 1.49 2dvlB1 LYS 172 HG3 0.04 -0.07 -0.03 -0.04 1.46 1.36 2dvlB1 LYS 172 HD2 0.04 -0.05 -0.02 -0.04 1.69 1.63 2dvlB1 LYS 172 HD3 0.01 0.10 0.00 -0.04 1.68 1.75 2dvlB1 LYS 172 HE2 0.02 0.01 0.00 -0.04 2.99 2.98 2dvlB1 LYS 172 HE3 0.03 -0.03 -0.00 -0.04 2.99 2.95 2dvlB1 GLY 173 H -0.00 0.13 -0.37 -0.55 8.43 7.64 2dvlB1 GLY 173 HA2 -0.02 0.11 0.27 -0.51 4.01 3.85 2dvlB1 GLY 173 HA3 -0.04 0.28 0.99 -0.51 4.01 4.72 2dvlB1 ILE 174 H -0.06 0.20 0.17 -0.55 8.25 8.01 2dvlB1 ILE 174 HA -0.07 0.26 0.56 -0.75 4.18 4.18 2dvlB1 ILE 174 HB -0.08 -0.13 0.11 -0.04 1.89 1.75 2dvlB1 ILE 174 HG12 -0.03 0.09 -0.10 -0.04 1.49 1.41 2dvlB1 ILE 174 HG13 -0.04 -0.01 0.06 -0.04 1.21 1.18 2dvlB1 ILE 174 HG23 -0.06 -0.00 -0.22 -0.04 0.93 0.60 2dvlB1 ILE 174 HD13 -0.03 0.02 -0.07 -0.04 0.88 0.76 2dvlB1 SER 175 H -0.17 0.97 0.47 -0.55 8.46 9.18 2dvlB1 SER 175 HA -0.24 -0.02 0.97 -0.75 4.49 4.45 2dvlB1 SER 175 HB2 -0.62 0.10 -0.03 -0.04 3.95 3.35 2dvlB1 SER 175 HB3 -0.52 0.14 0.08 -0.04 3.93 3.59 2dvlB1 ALA 176 H -0.29 0.29 0.17 -0.55 8.40 8.03 2dvlB1 ALA 176 HA -0.20 0.24 0.92 -0.75 4.34 4.55 2dvlB1 ALA 176 HB3 0.03 0.02 -0.02 -0.04 1.41 1.40 2dvlB1 PHE 177 H -0.04 0.65 0.30 -0.55 8.34 8.70 2dvlB1 PHE 177 HA -0.06 0.21 1.04 -0.75 4.62 5.05 2dvlB1 PHE 177 HB2 -0.09 0.01 0.01 -0.04 3.15 3.04 2dvlB1 PHE 177 HB3 -0.09 0.03 -0.10 -0.04 3.06 2.86 2dvlB1 PHE 177 HD2 -0.16 0.06 -0.18 -0.04 7.28 6.95 2dvlB1 PHE 177 HE2 -0.73 -0.00 -0.24 -0.04 7.38 6.36 2dvlB1 PHE 177 HZ -0.85 -0.03 -0.22 -0.04 7.32 6.18 2dvlB1 LEU 178 H 0.14 0.66 0.24 -0.55 8.37 8.87 2dvlB1 LEU 178 HA -0.01 0.20 0.96 -0.75 4.35 4.75 2dvlB1 LEU 178 HB2 -0.05 0.00 0.22 -0.04 1.64 1.77 2dvlB1 LEU 178 HB3 -0.36 -0.03 -0.03 -0.04 1.64 1.18 2dvlB1 LEU 178 HG 0.02 0.01 -0.26 -0.04 1.64 1.37 2dvlB1 LEU 178 HD13 -0.03 -0.01 -0.11 -0.04 0.93 0.74 2dvlB1 LEU 178 HD23 -0.05 0.01 -0.18 -0.04 0.89 0.62 2dvlB1 VAL 179 H 0.04 0.72 0.26 -0.55 8.24 8.71 2dvlB1 VAL 179 HA -0.01 0.16 1.01 -0.75 4.13 4.53 2dvlB1 VAL 179 HB 0.04 -0.03 0.06 -0.04 2.12 2.15 2dvlB1 VAL 179 HG13 -0.05 0.04 -0.18 -0.04 0.97 0.74 2dvlB1 VAL 179 HG23 -0.03 -0.02 -0.25 -0.04 0.95 0.62 2dvlB1 GLU 180 H -0.01 0.12 0.17 -0.55 8.60 8.33 2dvlB1 GLU 180 HA -0.17 0.27 0.85 -0.75 4.29 4.48 2dvlB1 GLU 180 HB2 -0.05 -0.04 0.11 -0.04 2.09 2.07 2dvlB1 GLU 180 HB3 -0.40 0.07 0.17 -0.04 1.99 1.79 2dvlB1 GLU 180 HG2 0.02 0.01 -0.05 -0.04 2.34 2.28 2dvlB1 GLU 180 HG3 0.10 -0.06 -0.02 -0.04 2.34 2.31 2dvlB1 LYS 181 H -0.49 0.44 0.32 -0.55 8.42 8.14 2dvlB1 LYS 181 HA 0.10 0.04 0.41 -0.75 4.32 4.12 2dvlB1 LYS 181 HB2 0.01 0.19 0.18 -0.04 1.87 2.21 2dvlB1 LYS 181 HB3 -0.17 -0.05 0.07 -0.04 1.79 1.60 2dvlB1 LYS 181 HG2 0.09 -0.08 0.01 -0.04 1.46 1.43 2dvlB1 LYS 181 HG3 0.31 -0.03 0.01 -0.04 1.46 1.71 2dvlB1 LYS 181 HD2 0.08 0.14 -0.20 -0.04 1.69 1.67 2dvlB1 LYS 181 HD3 0.06 -0.05 -0.08 -0.04 1.68 1.57 2dvlB1 LYS 181 HE2 0.11 -0.09 -0.02 -0.04 2.99 2.95 2dvlB1 LYS 181 HE3 0.13 -0.02 -0.06 -0.04 2.99 3.00 2dvlB1 GLY 182 H 0.02 0.17 0.07 -0.55 8.43 8.14 2dvlB1 GLY 182 HA2 -0.01 -0.00 0.35 -0.51 4.01 3.84 2dvlB1 GLY 182 HA3 -0.01 0.11 0.56 -0.51 4.01 4.17 2dvlB1 THR 183 H -0.04 0.32 -0.79 -0.55 8.28 7.22 2dvlB1 THR 183 HA -0.00 0.02 0.32 -0.75 4.39 3.97 2dvlB1 THR 183 HB -0.06 -0.05 0.02 -0.04 4.32 4.18 2dvlB1 THR 183 HG23 -0.01 0.02 -0.02 -0.04 1.22 1.16 2dvlB1 PRO 184 HA -0.04 0.04 0.53 -0.51 4.44 4.46 2dvlB1 PRO 184 HB2 0.00 -0.01 0.18 -0.04 2.28 2.41 2dvlB1 PRO 184 HB3 -0.02 0.02 0.13 -0.04 2.02 2.11 2dvlB1 PRO 184 HG2 0.01 -0.01 0.13 -0.04 2.03 2.12 2dvlB1 PRO 184 HG3 -0.01 0.08 0.13 -0.04 2.03 2.20 2dvlB1 PRO 184 HD2 0.03 0.05 0.26 -0.04 3.68 3.98 2dvlB1 PRO 184 HD3 0.01 0.13 0.21 -0.04 3.65 3.96 2dvlB1 GLY 185 H -0.08 0.16 0.15 -0.55 8.43 8.12 2dvlB1 GLY 185 HA2 -0.08 0.00 0.37 -0.51 4.01 3.80 2dvlB1 GLY 185 HA3 -0.07 0.22 0.65 -0.51 4.01 4.30 2dvlB1 LEU 186 H -0.14 0.37 -0.45 -0.55 8.37 7.60 2dvlB1 LEU 186 HA -0.27 0.06 0.52 -0.75 4.35 3.90 2dvlB1 LEU 186 HB2 -0.19 -0.04 -0.04 -0.04 1.64 1.32 2dvlB1 LEU 186 HB3 -0.26 0.08 0.01 -0.04 1.64 1.43 2dvlB1 LEU 186 HG -0.81 0.00 -0.24 -0.04 1.64 0.55 2dvlB1 LEU 186 HD13 -0.31 -0.01 -0.16 -0.04 0.93 0.41 2dvlB1 LEU 186 HD23 -0.20 -0.03 -0.19 -0.04 0.89 0.42 2dvlB1 SER 187 H -0.44 0.82 0.45 -0.55 8.46 8.75 2dvlB1 SER 187 HA -0.51 0.16 0.84 -0.75 4.49 4.23 2dvlB1 SER 187 HB2 -0.20 0.08 -0.16 -0.04 3.95 3.63 2dvlB1 SER 187 HB3 -0.21 -0.09 0.03 -0.04 3.93 3.62 2dvlB1 PHE 188 H -0.17 0.26 0.17 -0.55 8.34 8.04 2dvlB1 PHE 188 HA -0.11 0.24 1.06 -0.75 4.62 5.05 2dvlB1 PHE 188 HB2 -0.09 0.01 0.05 -0.04 3.15 3.08 2dvlB1 PHE 188 HB3 -0.09 0.10 -0.06 -0.04 3.06 2.97 2dvlB1 PHE 188 HD2 -0.13 0.07 0.02 -0.04 7.28 7.20 2dvlB1 PHE 188 HE2 -0.47 0.00 -0.10 -0.04 7.38 6.77 2dvlB1 PHE 188 HZ -0.38 0.07 -0.16 -0.04 7.32 6.80 2dvlB1 GLY 189 H 0.04 0.41 0.20 -0.55 8.43 8.54 2dvlB1 GLY 189 HA2 -0.03 0.10 0.56 -0.51 4.01 4.13 2dvlB1 GLY 189 HA3 -0.04 -0.08 0.37 -0.51 4.01 3.75 2dvlB1 ARG 190 H -0.05 0.05 0.15 -0.55 8.46 8.05 2dvlB1 ARG 190 HA -0.06 0.19 0.57 -0.75 4.34 4.29 2dvlB1 ARG 190 HB2 -0.06 -0.07 0.11 -0.04 1.90 1.83 2dvlB1 ARG 190 HB3 -0.07 0.12 0.05 -0.04 1.80 1.87 2dvlB1 ARG 190 HG2 -0.04 0.07 0.02 -0.04 1.67 1.68 2dvlB1 ARG 190 HG3 -0.04 -0.09 0.05 -0.04 1.67 1.56 2dvlB1 ARG 190 HD2 -0.04 -0.03 0.03 -0.04 3.22 3.14 2dvlB1 ARG 190 HD3 -0.04 0.04 0.02 -0.04 3.22 3.21 2dvlB1 PRO 191 HA -0.11 0.07 0.34 -0.51 4.44 4.24 2dvlB1 PRO 191 HB2 -0.29 0.12 -0.02 -0.04 2.28 2.05 2dvlB1 PRO 191 HB3 -0.29 -0.03 0.04 -0.04 2.02 1.69 2dvlB1 PRO 191 HG2 -0.19 0.02 0.06 -0.04 2.03 1.88 2dvlB1 PRO 191 HG3 -0.36 0.07 0.06 -0.04 2.03 1.76 2dvlB1 PRO 191 HD2 -0.10 0.03 0.21 -0.04 3.68 3.78 2dvlB1 PRO 191 HD3 -0.12 0.17 0.15 -0.04 3.65 3.81 2dvlB1 GLU 192 H -0.13 0.62 0.40 -0.55 8.60 8.94 2dvlB1 GLU 192 HA -0.13 0.02 0.55 -0.75 4.29 3.98 2dvlB1 GLU 192 HB2 -0.15 -0.02 0.02 -0.04 2.09 1.90 2dvlB1 GLU 192 HB3 -0.29 -0.01 0.03 -0.04 1.99 1.68 2dvlB1 GLU 192 HG2 -0.32 0.35 0.18 -0.04 2.34 2.51 2dvlB1 GLU 192 HG3 -1.03 -0.13 -0.05 -0.04 2.34 1.09 2dvlB1 GLU 193 H -0.03 0.08 0.18 -0.55 8.60 8.29 2dvlB1 GLU 193 HA 0.04 0.16 0.61 -0.75 4.29 4.34 2dvlB1 GLU 193 HB2 0.01 -0.08 0.16 -0.04 2.09 2.14 2dvlB1 GLU 193 HB3 0.02 0.04 0.02 -0.04 1.99 2.02 2dvlB1 GLU 193 HG2 -0.03 0.07 0.01 -0.04 2.34 2.35 2dvlB1 GLU 193 HG3 -0.03 0.03 0.05 -0.04 2.34 2.35 2dvlB1 LYS 194 H 0.18 0.26 0.12 -0.55 8.42 8.43 2dvlB1 LYS 194 HA 0.15 0.17 0.81 -0.75 4.32 4.69 2dvlB1 LYS 194 HB2 0.15 -0.22 0.10 -0.04 1.87 1.87 2dvlB1 LYS 194 HB3 0.31 0.02 -0.18 -0.04 1.79 1.90 2dvlB1 LYS 194 HG2 0.19 0.09 -0.09 -0.04 1.46 1.62 2dvlB1 LYS 194 HG3 0.13 0.28 -0.12 -0.04 1.46 1.72 2dvlB1 LYS 194 HD2 0.21 -0.14 -0.07 -0.04 1.69 1.65 2dvlB1 LYS 194 HD3 0.46 -0.06 -0.12 -0.04 1.68 1.92 2dvlB1 LYS 194 HE2 0.09 0.02 -0.05 -0.04 2.99 3.01 2dvlB1 LYS 194 HE3 0.20 -0.10 -0.03 -0.04 2.99 3.02 2dvlB1 MET 195 H 0.08 0.09 0.11 -0.55 8.47 8.21 2dvlB1 MET 195 HA 0.08 0.08 0.41 -0.75 4.52 4.33 2dvlB1 MET 195 HB2 0.03 -0.02 0.14 -0.04 2.15 2.25 2dvlB1 MET 195 HB3 -0.01 -0.02 0.09 -0.04 2.03 2.05 2dvlB1 MET 195 HG2 -0.00 0.01 -0.02 -0.04 2.63 2.57 2dvlB1 MET 195 HG3 0.03 -0.01 0.05 -0.04 2.56 2.59 2dvlB1 MET 195 HE3 -0.01 -0.01 0.00 -0.04 2.10 2.04 2dvlB1 GLY 196 H -0.06 0.06 -0.15 -0.55 8.43 7.74 2dvlB1 GLY 196 HA2 -0.63 0.22 0.69 -0.51 4.01 3.78 2dvlB1 GLY 196 HA3 -0.20 0.00 0.11 -0.51 4.01 3.42 2dvlB1 LEU 197 H -0.17 0.15 0.09 -0.55 8.37 7.89 2dvlB1 LEU 197 HA -0.07 -0.08 0.30 -0.75 4.35 3.75 2dvlB1 LEU 197 HB2 -0.03 0.21 -0.08 -0.04 1.64 1.70 2dvlB1 LEU 197 HB3 -0.03 -0.01 0.19 -0.04 1.64 1.75 2dvlB1 LEU 197 HG -0.05 -0.02 -0.12 -0.04 1.64 1.40 2dvlB1 LEU 197 HD13 -0.12 0.01 -0.05 -0.04 0.93 0.73 2dvlB1 LEU 197 HD23 -0.04 0.00 -0.11 -0.04 0.89 0.71 2dvlB1 HIS 198 H -0.19 0.02 -0.36 -0.55 8.41 7.33 2dvlB1 HIS 198 HA 0.06 0.16 0.21 -0.75 4.63 4.31 2dvlB1 HIS 198 HB2 0.01 -0.14 0.16 -0.04 3.26 3.26 2dvlB1 HIS 198 HB3 0.04 0.08 0.06 -0.04 3.20 3.34 2dvlB1 HIS 198 HD2 0.04 -0.04 -0.10 -0.04 6.97 6.82 2dvlB1 HIS 198 HE1 -0.01 -0.05 0.03 -0.04 7.75 7.67 2dvlB1 ALA 199 H 0.08 -0.09 -0.29 -0.55 8.40 7.56 2dvlB1 ALA 199 HA 0.07 0.17 0.16 -0.75 4.34 3.99 2dvlB1 ALA 199 HB3 -0.00 -0.01 -0.06 -0.04 1.41 1.30 2dvlB1 ALA 200 H 0.03 0.19 -0.43 -0.55 8.40 7.65 2dvlB1 ALA 200 HA -0.05 0.05 0.62 -0.75 4.34 4.21 2dvlB1 ALA 200 HB3 -0.02 -0.00 0.14 -0.04 1.41 1.49 2dvlB1 HIS 201 H 0.22 0.24 0.07 -0.55 8.41 8.39 2dvlB1 HIS 201 HA 0.11 0.14 0.32 -0.75 4.63 4.44 2dvlB1 HIS 201 HB2 0.21 -0.09 0.11 -0.04 3.26 3.44 2dvlB1 HIS 201 HB3 0.11 0.02 -0.07 -0.04 3.20 3.22 2dvlB1 HIS 201 HD2 0.11 0.13 -0.24 -0.04 6.97 6.92 2dvlB1 HIS 201 HE1 0.18 -0.06 0.09 -0.04 7.75 7.92 2dvlB1 THR 202 H 0.11 0.28 0.20 -0.55 8.28 8.32 2dvlB1 THR 202 HA 0.13 0.34 0.69 -0.75 4.39 4.79 2dvlB1 THR 202 HB 0.30 -0.12 -0.29 -0.04 4.32 4.16 2dvlB1 THR 202 HG23 0.19 0.07 -0.25 -0.04 1.22 1.19 2dvlB1 ALA 203 H 0.03 0.47 0.15 -0.55 8.40 8.50 2dvlB1 ALA 203 HA -0.16 0.10 0.57 -0.75 4.34 4.10 2dvlB1 ALA 203 HB3 -0.05 0.00 -0.34 -0.04 1.41 0.97 2dvlB1 GLU 204 H -0.08 0.15 0.10 -0.55 8.60 8.23 2dvlB1 GLU 204 HA -0.04 0.22 0.82 -0.75 4.29 4.54 2dvlB1 GLU 204 HB2 -0.06 -0.10 0.11 -0.04 2.09 2.00 2dvlB1 GLU 204 HB3 -0.06 0.08 -0.02 -0.04 1.99 1.95 2dvlB1 GLU 204 HG2 -0.14 -0.05 0.01 -0.04 2.34 2.12 2dvlB1 GLU 204 HG3 -0.15 -0.00 0.05 -0.04 2.34 2.20 2dvlB1 VAL 205 H 0.00 0.57 0.26 -0.55 8.24 8.52 2dvlB1 VAL 205 HA 0.11 0.27 0.89 -0.75 4.13 4.65 2dvlB1 VAL 205 HB -0.00 -0.09 0.17 -0.04 2.12 2.15 2dvlB1 VAL 205 HG13 -0.16 0.01 -0.18 -0.04 0.97 0.59 2dvlB1 VAL 205 HG23 0.14 0.01 -0.15 -0.04 0.95 0.91 2dvlB1 ARG 206 H -0.18 0.64 0.07 -0.55 8.46 8.43 2dvlB1 ARG 206 HA -0.10 0.11 0.89 -0.75 4.34 4.49 2dvlB1 ARG 206 HB2 -0.16 -0.04 -0.01 -0.04 1.90 1.64 2dvlB1 ARG 206 HB3 -0.11 0.05 -0.04 -0.04 1.80 1.66 2dvlB1 ARG 206 HG2 -0.07 0.01 -0.08 -0.04 1.67 1.49 2dvlB1 ARG 206 HG3 -0.08 -0.11 -0.31 -0.04 1.67 1.13 2dvlB1 ARG 206 HD2 -0.08 0.01 -0.27 -0.04 3.22 2.83 2dvlB1 ARG 206 HD3 -0.07 0.04 -0.11 -0.04 3.22 3.04 2dvlB1 LEU 207 H -0.09 0.54 0.25 -0.55 8.37 8.52 2dvlB1 LEU 207 HA -0.15 0.25 0.89 -0.75 4.35 4.59 2dvlB1 LEU 207 HB2 -0.08 -0.11 -0.04 -0.04 1.64 1.37 2dvlB1 LEU 207 HB3 -0.10 0.03 -0.19 -0.04 1.64 1.34 2dvlB1 LEU 207 HG -0.17 0.07 -0.44 -0.04 1.64 1.07 2dvlB1 LEU 207 HD13 -0.08 0.00 -0.24 -0.04 0.93 0.56 2dvlB1 LEU 207 HD23 -0.10 -0.00 -0.21 -0.04 0.89 0.54 2dvlB1 GLU 208 H -0.10 0.53 -0.02 -0.55 8.60 8.46 2dvlB1 GLU 208 HA -0.05 0.07 1.01 -0.75 4.29 4.56 2dvlB1 GLU 208 HB2 -0.06 -0.03 -0.03 -0.04 2.09 1.92 2dvlB1 GLU 208 HB3 -0.07 0.09 0.18 -0.04 1.99 2.16 2dvlB1 GLU 208 HG2 -0.04 0.04 -0.22 -0.04 2.34 2.08 2dvlB1 GLU 208 HG3 -0.04 -0.03 -0.00 -0.04 2.34 2.22 2dvlB1 GLU 209 H -0.04 0.21 0.13 -0.55 8.60 8.36 2dvlB1 GLU 209 HA -0.01 -0.01 0.22 -0.75 4.29 3.74 2dvlB1 GLU 209 HB2 -0.02 0.21 -0.05 -0.04 2.09 2.18 2dvlB1 GLU 209 HB3 -0.00 -0.03 0.17 -0.04 1.99 2.09 2dvlB1 GLU 209 HG2 -0.02 -0.06 -0.14 -0.04 2.34 2.07 2dvlB1 GLU 209 HG3 -0.02 -0.00 -0.06 -0.04 2.34 2.23 2dvlB1 VAL 210 H -0.05 0.40 -0.05 -0.55 8.24 7.99 2dvlB1 VAL 210 HA -0.01 0.39 0.67 -0.75 4.13 4.42 2dvlB1 VAL 210 HB -0.09 -0.11 -0.01 -0.04 2.12 1.87 2dvlB1 VAL 210 HG13 -0.08 0.01 -0.28 -0.04 0.97 0.58 2dvlB1 VAL 210 HG23 -0.10 -0.01 -0.28 -0.04 0.95 0.52 2dvlB1 PHE 211 H 0.12 0.24 0.21 -0.55 8.34 8.36 2dvlB1 PHE 211 HA -0.04 0.27 0.94 -0.75 4.62 5.03 2dvlB1 PHE 211 HB2 -0.03 0.01 0.04 -0.04 3.15 3.13 2dvlB1 PHE 211 HB3 -0.02 -0.01 0.14 -0.04 3.06 3.12 2dvlB1 PHE 211 HD2 -0.02 0.01 -0.13 -0.04 7.28 7.10 2dvlB1 PHE 211 HE2 -0.03 -0.06 -0.24 -0.04 7.38 7.02 2dvlB1 PHE 211 HZ -0.03 -0.01 -0.47 -0.04 7.32 6.78 2dvlB1 VAL 212 H -0.80 0.61 0.29 -0.55 8.24 7.80 2dvlB1 VAL 212 HA -0.34 0.24 0.97 -0.75 4.13 4.25 2dvlB1 VAL 212 HB -0.39 -0.09 -0.01 -0.04 2.12 1.58 2dvlB1 VAL 212 HG13 -0.09 0.05 -0.20 -0.04 0.97 0.69 2dvlB1 VAL 212 HG23 -0.27 0.01 -0.34 -0.04 0.95 0.31 2dvlB1 PRO 213 HA -0.10 0.23 0.53 -0.51 4.44 4.59 2dvlB1 PRO 213 HB2 0.07 -0.12 0.09 -0.04 2.28 2.28 2dvlB1 PRO 213 HB3 0.11 0.06 0.18 -0.04 2.02 2.32 2dvlB1 PRO 213 HG2 0.10 0.07 0.09 -0.04 2.03 2.26 2dvlB1 PRO 213 HG3 0.21 0.08 0.05 -0.04 2.03 2.33 2dvlB1 PRO 213 HD2 -0.04 0.12 0.25 -0.04 3.68 3.96 2dvlB1 PRO 213 HD3 -0.18 0.31 0.16 -0.04 3.65 3.90 2dvlB1 GLU 214 H 0.05 0.44 0.38 -0.55 8.60 8.92 2dvlB1 GLU 214 HA 0.16 0.08 0.42 -0.75 4.29 4.20 2dvlB1 GLU 214 HB2 -0.00 0.05 0.09 -0.04 2.09 2.18 2dvlB1 GLU 214 HB3 0.06 -0.03 0.13 -0.04 1.99 2.11 2dvlB1 GLU 214 HG2 0.04 -0.01 0.01 -0.04 2.34 2.34 2dvlB1 GLU 214 HG3 0.09 0.01 -0.10 -0.04 2.34 2.30 2dvlB1 GLU 215 H 0.10 0.03 -0.30 -0.55 8.60 7.89 2dvlB1 GLU 215 HA 0.12 0.16 0.61 -0.75 4.29 4.42 2dvlB1 GLU 215 HB2 0.11 0.00 0.05 -0.04 2.09 2.21 2dvlB1 GLU 215 HB3 0.09 -0.01 0.06 -0.04 1.99 2.09 2dvlB1 GLU 215 HG2 0.10 -0.07 0.04 -0.04 2.34 2.37 2dvlB1 GLU 215 HG3 0.12 0.06 -0.10 -0.04 2.34 2.38 2dvlB1 ASN 216 H 0.12 0.37 -0.32 -0.55 8.53 8.16 2dvlB1 ASN 216 HA 0.18 0.10 0.58 -0.75 4.76 4.87 2dvlB1 ASN 216 HB2 0.05 0.07 0.09 -0.04 2.88 3.06 2dvlB1 ASN 216 HB3 0.08 -0.02 0.21 -0.04 2.79 3.02 2dvlB1 ASN 216 HD21 0.36 -0.02 -0.02 -0.04 7.03 7.31 2dvlB1 ASN 216 HD22 0.28 0.02 -0.02 -0.04 7.74 7.98 2dvlB1 LEU 217 H 0.20 0.20 -0.61 -0.55 8.37 7.61 2dvlB1 LEU 217 HA 0.22 0.06 0.64 -0.75 4.35 4.51 2dvlB1 LEU 217 HB2 0.36 -0.06 -0.01 -0.04 1.64 1.89 2dvlB1 LEU 217 HB3 0.23 0.15 0.09 -0.04 1.64 2.08 2dvlB1 LEU 217 HG 0.04 0.14 -0.47 -0.04 1.64 1.31 2dvlB1 LEU 217 HD13 -0.32 0.00 -0.07 -0.04 0.93 0.51 2dvlB1 LEU 217 HD23 0.21 -0.05 -0.05 -0.04 0.89 0.97 2dvlB1 LEU 218 H -0.07 0.66 0.23 -0.55 8.37 8.64 2dvlB1 LEU 218 HA 0.03 0.07 0.73 -0.75 4.35 4.42 2dvlB1 LEU 218 HB2 0.02 -0.00 -0.19 -0.04 1.64 1.42 2dvlB1 LEU 218 HB3 -0.01 -0.05 -0.02 -0.04 1.64 1.52 2dvlB1 LEU 218 HG -0.05 -0.01 -0.38 -0.04 1.64 1.16 2dvlB1 LEU 218 HD13 0.00 0.02 -0.25 -0.04 0.93 0.65 2dvlB1 LEU 218 HD23 0.06 -0.03 -0.25 -0.04 0.89 0.63 2dvlB1 GLY 219 H 0.03 0.13 0.12 -0.55 8.43 8.16 2dvlB1 GLY 219 HA2 0.06 0.07 0.33 -0.51 4.01 3.96 2dvlB1 GLY 219 HA3 0.04 0.01 0.33 -0.51 4.01 3.88 2dvlB1 GLU 220 H 0.25 0.10 0.12 -0.55 8.60 8.52 2dvlB1 GLU 220 HA 0.06 0.01 0.39 -0.75 4.29 4.00 2dvlB1 GLU 220 HB2 0.07 -0.02 0.12 -0.04 2.09 2.22 2dvlB1 GLU 220 HB3 -0.03 0.07 -0.12 -0.04 1.99 1.87 2dvlB1 GLU 220 HG2 0.09 -0.01 0.06 -0.04 2.34 2.43 2dvlB1 GLU 220 HG3 0.04 0.02 0.02 -0.04 2.34 2.38 2dvlB1 GLU 221 H 0.02 0.12 0.15 -0.55 8.60 8.35 2dvlB1 GLU 221 HA -0.12 0.04 0.46 -0.75 4.29 3.92 2dvlB1 GLU 221 HB2 0.04 0.08 0.07 -0.04 2.09 2.24 2dvlB1 GLU 221 HB3 0.04 -0.01 0.13 -0.04 1.99 2.11 2dvlB1 GLU 221 HG2 -0.00 -0.01 -0.38 -0.04 2.34 1.90 2dvlB1 GLU 221 HG3 -0.04 0.01 -0.07 -0.04 2.34 2.20 2dvlB1 GLY 222 H -0.15 0.12 -0.08 -0.55 8.43 7.78 2dvlB1 GLY 222 HA2 -0.10 -0.12 -0.24 -0.51 4.01 3.04 2dvlB1 GLY 222 HA3 -0.07 0.24 0.33 -0.51 4.01 4.00 2dvlB1 ARG 223 H -0.22 0.38 -0.30 -0.55 8.46 7.77 2dvlB1 ARG 223 HA -0.27 0.16 0.85 -0.75 4.34 4.32 2dvlB1 ARG 223 HB2 -0.20 0.06 -0.16 -0.04 1.90 1.56 2dvlB1 ARG 223 HB3 -0.41 0.07 -0.01 -0.04 1.80 1.42 2dvlB1 ARG 223 HG2 -0.77 -0.07 0.14 -0.04 1.67 0.92 2dvlB1 ARG 223 HG3 -0.31 -0.02 0.10 -0.04 1.67 1.40 2dvlB1 ARG 223 HD2 -0.12 0.04 -0.01 -0.04 3.22 3.09 2dvlB1 ARG 223 HD3 -0.11 -0.01 0.01 -0.04 3.22 3.07 2dvlB1 GLY 224 H -0.26 0.59 0.06 -0.55 8.43 8.27 2dvlB1 GLY 224 HA2 -0.25 0.13 0.39 -0.51 4.01 3.76 2dvlB1 GLY 224 HA3 -0.16 0.02 0.10 -0.51 4.01 3.47 2dvlB1 LEU 225 H -0.15 0.25 -0.16 -0.55 8.37 7.76 2dvlB1 LEU 225 HA -0.01 0.05 0.29 -0.75 4.35 3.93 2dvlB1 LEU 225 HB2 -0.05 0.04 0.01 -0.04 1.64 1.60 2dvlB1 LEU 225 HB3 -0.08 0.06 -0.01 -0.04 1.64 1.57 2dvlB1 LEU 225 HG -0.03 0.01 -0.19 -0.04 1.64 1.39 2dvlB1 LEU 225 HD13 0.02 -0.01 -0.04 -0.04 0.93 0.85 2dvlB1 LEU 225 HD23 -0.03 0.02 -0.04 -0.04 0.89 0.80 2dvlB1 ALA 226 H -0.25 0.16 -0.56 -0.55 8.40 7.20 2dvlB1 ALA 226 HA -0.09 0.04 0.39 -0.75 4.34 3.93 2dvlB1 ALA 226 HB3 -0.24 0.08 0.03 -0.04 1.41 1.23 2dvlB1 TYR 227 H -0.40 0.34 -0.17 -0.55 8.29 7.50 2dvlB1 TYR 227 HA -0.26 0.06 0.39 -0.75 4.56 4.00 2dvlB1 TYR 227 HB2 -0.13 0.10 0.12 -0.04 3.06 3.11 2dvlB1 TYR 227 HB3 -0.14 -0.04 -0.03 -0.04 2.98 2.74 2dvlB1 TYR 227 HD2 -0.81 -0.06 -0.04 -0.04 7.15 6.21 2dvlB1 TYR 227 HE2 -0.37 0.09 -0.05 -0.04 6.85 6.48 2dvlB1 ALA 228 H 0.09 0.49 -0.17 -0.55 8.40 8.26 2dvlB1 ALA 228 HA 0.00 0.01 0.33 -0.75 4.34 3.93 2dvlB1 ALA 228 HB3 0.14 0.03 0.02 -0.04 1.41 1.56 2dvlB1 LEU 229 H -0.00 0.59 -0.11 -0.55 8.37 8.30 2dvlB1 LEU 229 HA -0.05 -0.02 0.40 -0.75 4.35 3.92 2dvlB1 LEU 229 HB2 -0.02 0.12 0.06 -0.04 1.64 1.76 2dvlB1 LEU 229 HB3 -0.04 -0.05 0.06 -0.04 1.64 1.57 2dvlB1 LEU 229 HG -0.02 0.47 0.14 -0.04 1.64 2.19 2dvlB1 LEU 229 HD13 -0.03 -0.02 -0.04 -0.04 0.93 0.80 2dvlB1 LEU 229 HD23 -0.01 -0.04 -0.02 -0.04 0.89 0.78 2dvlB1 ALA 230 H 0.05 0.42 -0.50 -0.55 8.40 7.83 2dvlB1 ALA 230 HA 0.02 -0.02 0.41 -0.75 4.34 3.99 2dvlB1 ALA 230 HB3 0.34 0.08 0.12 -0.04 1.41 1.91 2dvlB1 GLY 231 H -0.13 0.45 -0.16 -0.55 8.43 8.04 2dvlB1 GLY 231 HA2 -1.37 0.07 0.51 -0.51 4.01 2.71 2dvlB1 GLY 231 HA3 -0.77 0.02 0.28 -0.51 4.01 3.03 2dvlB1 LEU 232 H -0.18 0.37 -0.35 -0.55 8.37 7.67 2dvlB1 LEU 232 HA -0.12 -0.01 0.40 -0.75 4.35 3.86 2dvlB1 LEU 232 HB2 -0.09 0.21 0.16 -0.04 1.64 1.88 2dvlB1 LEU 232 HB3 -0.07 -0.01 -0.03 -0.04 1.64 1.49 2dvlB1 LEU 232 HG -0.09 0.17 -0.11 -0.04 1.64 1.57 2dvlB1 LEU 232 HD13 -0.02 -0.01 -0.05 -0.04 0.93 0.80 2dvlB1 LEU 232 HD23 -0.09 -0.02 -0.04 -0.04 0.89 0.70 2dvlB1 ASP 233 H -0.18 0.37 -0.22 -0.55 8.40 7.82 2dvlB1 ASP 233 HA -0.10 0.04 0.38 -0.75 4.63 4.19 2dvlB1 ASP 233 HB2 -0.46 0.13 0.09 -0.04 2.71 2.43 2dvlB1 ASP 233 HB3 -0.94 -0.02 -0.07 -0.04 2.70 1.63 2dvlB1 SER 234 H -0.05 0.23 -0.24 -0.55 8.46 7.86 2dvlB1 SER 234 HA 0.38 0.01 0.39 -0.75 4.49 4.52 2dvlB1 SER 234 HB2 -0.15 0.16 0.15 -0.04 3.95 4.07 2dvlB1 SER 234 HB3 -0.05 0.00 -0.02 -0.04 3.93 3.83 2dvlB1 GLY 235 H -0.03 0.58 -0.03 -0.55 8.43 8.40 2dvlB1 GLY 235 HA2 0.18 0.03 0.39 -0.51 4.01 4.10 2dvlB1 GLY 235 HA3 0.03 0.04 0.33 -0.51 4.01 3.90 2dvlB1 ARG 236 H 0.05 0.64 -0.26 -0.55 8.46 8.33 2dvlB1 ARG 236 HA -0.01 0.04 0.51 -0.75 4.34 4.12 2dvlB1 ARG 236 HB2 0.03 0.09 0.14 -0.04 1.90 2.12 2dvlB1 ARG 236 HB3 0.00 0.00 -0.00 -0.04 1.80 1.77 2dvlB1 ARG 236 HG2 -0.05 0.16 0.11 -0.04 1.67 1.85 2dvlB1 ARG 236 HG3 -0.02 -0.03 0.08 -0.04 1.67 1.65 2dvlB1 ARG 236 HD2 -0.04 -0.06 -0.16 -0.04 3.22 2.91 2dvlB1 ARG 236 HD3 -0.03 -0.08 -0.05 -0.04 3.22 3.01 2dvlB1 VAL 237 H 0.20 0.47 -0.06 -0.55 8.24 8.30 2dvlB1 VAL 237 HA 0.06 0.01 0.47 -0.75 4.13 3.92 2dvlB1 VAL 237 HB 0.41 0.15 0.17 -0.04 2.12 2.81 2dvlB1 VAL 237 HG13 0.05 -0.03 -0.05 -0.04 0.97 0.91 2dvlB1 VAL 237 HG23 0.25 0.05 0.03 -0.04 0.95 1.25 2dvlB1 GLY 238 H 0.26 0.59 -0.20 -0.55 8.43 8.53 2dvlB1 GLY 238 HA2 -0.59 -0.02 0.38 -0.51 4.01 3.27 2dvlB1 GLY 238 HA3 0.09 0.09 0.29 -0.51 4.01 3.97 2dvlB1 VAL 239 H 0.01 0.64 -0.00 -0.55 8.24 8.35 2dvlB1 VAL 239 HA -0.00 -0.01 0.48 -0.75 4.13 3.84 2dvlB1 VAL 239 HB -0.13 0.10 0.13 -0.04 2.12 2.19 2dvlB1 VAL 239 HG13 -0.37 0.01 -0.04 -0.04 0.97 0.53 2dvlB1 VAL 239 HG23 0.02 0.06 0.00 -0.04 0.95 0.99 2dvlB1 ALA 240 H -0.05 0.63 -0.22 -0.55 8.40 8.22 2dvlB1 ALA 240 HA -0.05 0.03 0.42 -0.75 4.34 3.99 2dvlB1 ALA 240 HB3 -0.02 0.05 -0.03 -0.04 1.41 1.36 2dvlB1 ALA 241 H -0.13 0.62 -0.18 -0.55 8.40 8.16 2dvlB1 ALA 241 HA -0.12 -0.03 0.35 -0.75 4.34 3.78 2dvlB1 ALA 241 HB3 -0.29 0.09 0.14 -0.04 1.41 1.32 2dvlB1 GLN 242 H -0.09 0.45 -0.29 -0.55 8.47 8.00 2dvlB1 GLN 242 HA -0.04 0.02 0.32 -0.75 4.36 3.91 2dvlB1 GLN 242 HB2 0.01 0.15 0.13 -0.04 2.15 2.41 2dvlB1 GLN 242 HB3 0.03 -0.08 -0.01 -0.04 2.02 1.92 2dvlB1 GLN 242 HG2 -0.02 -0.04 -0.06 -0.04 2.40 2.24 2dvlB1 GLN 242 HG3 -0.07 0.23 0.04 -0.04 2.39 2.55 2dvlB1 GLN 242 HE21 0.13 -0.04 -0.13 -0.04 6.97 6.89 2dvlB1 GLN 242 HE22 0.02 0.13 -0.48 -0.04 7.69 7.32 2dvlB1 ALA 243 H -0.04 0.66 -0.16 -0.55 8.40 8.32 2dvlB1 ALA 243 HA -0.00 -0.03 0.37 -0.75 4.34 3.93 2dvlB1 ALA 243 HB3 -0.04 0.06 -0.06 -0.04 1.41 1.32 2dvlB1 VAL 244 H -0.04 0.51 -0.34 -0.55 8.24 7.82 2dvlB1 VAL 244 HA -0.04 -0.00 0.42 -0.75 4.13 3.76 2dvlB1 VAL 244 HB -0.06 0.22 0.14 -0.04 2.12 2.38 2dvlB1 VAL 244 HG13 -0.06 -0.03 -0.07 -0.04 0.97 0.77 2dvlB1 VAL 244 HG23 -0.03 0.05 -0.07 -0.04 0.95 0.86 2dvlB1 GLY 245 H -0.03 0.48 -0.10 -0.55 8.43 8.23 2dvlB1 GLY 245 HA2 -0.02 -0.01 0.44 -0.51 4.01 3.91 2dvlB1 GLY 245 HA3 -0.01 0.12 0.38 -0.51 4.01 3.99 2dvlB1 ILE 246 H 0.02 0.61 -0.19 -0.55 8.25 8.15 2dvlB1 ILE 246 HA 0.16 0.08 0.35 -0.75 4.18 4.01 2dvlB1 ILE 246 HB 0.05 0.13 0.14 -0.04 1.89 2.17 2dvlB1 ILE 246 HG12 0.18 -0.02 0.00 -0.04 1.49 1.60 2dvlB1 ILE 246 HG13 0.08 0.12 -0.02 -0.04 1.21 1.35 2dvlB1 ILE 246 HG23 0.18 -0.04 -0.08 -0.04 0.93 0.95 2dvlB1 ILE 246 HD13 0.06 -0.04 -0.16 -0.04 0.88 0.71 2dvlB1 ALA 247 H -0.01 0.49 -0.22 -0.55 8.40 8.10 2dvlB1 ALA 247 HA 0.01 -0.00 0.47 -0.75 4.34 4.06 2dvlB1 ALA 247 HB3 -0.03 0.02 0.08 -0.04 1.41 1.43 2dvlB1 ARG 248 H -0.04 0.69 -0.06 -0.55 8.46 8.50 2dvlB1 ARG 248 HA 0.04 -0.04 0.42 -0.75 4.34 4.01 2dvlB1 ARG 248 HB2 -0.04 0.07 0.11 -0.04 1.90 2.00 2dvlB1 ARG 248 HB3 -0.02 0.11 0.13 -0.04 1.80 1.98 2dvlB1 ARG 248 HG2 0.06 -0.03 -0.09 -0.04 1.67 1.56 2dvlB1 ARG 248 HG3 0.02 -0.05 0.02 -0.04 1.67 1.62 2dvlB1 ARG 248 HD2 0.00 -0.04 -0.04 -0.04 3.22 3.10 2dvlB1 ARG 248 HD3 -0.02 0.01 -0.06 -0.04 3.22 3.11 2dvlB1 GLY 249 H -0.13 0.78 -0.04 -0.55 8.43 8.48 2dvlB1 GLY 249 HA2 -0.13 0.01 0.45 -0.51 4.01 3.83 2dvlB1 GLY 249 HA3 -0.50 0.18 0.39 -0.51 4.01 3.57 2dvlB1 ALA 250 H -0.45 0.46 -0.17 -0.55 8.40 7.69 2dvlB1 ALA 250 HA -0.17 0.03 0.50 -0.75 4.34 3.94 2dvlB1 ALA 250 HB3 0.00 0.00 0.11 -0.04 1.41 1.49 2dvlB1 PHE 251 H 0.10 0.59 -0.17 -0.55 8.34 8.30 2dvlB1 PHE 251 HA 0.01 -0.04 0.44 -0.75 4.62 4.28 2dvlB1 PHE 251 HB2 -0.01 0.06 0.09 -0.04 3.15 3.25 2dvlB1 PHE 251 HB3 -0.03 0.13 0.25 -0.04 3.06 3.36 2dvlB1 PHE 251 HD2 0.02 0.02 -0.04 -0.04 7.28 7.25 2dvlB1 PHE 251 HE2 0.06 0.09 0.02 -0.04 7.38 7.52 2dvlB1 PHE 251 HZ 0.07 0.01 -0.01 -0.04 7.32 7.34 2dvlB1 GLU 252 H 0.09 0.74 -0.02 -0.55 8.60 8.87 2dvlB1 GLU 252 HA -0.20 -0.04 0.40 -0.75 4.29 3.70 2dvlB1 GLU 252 HB2 -0.01 0.16 0.10 -0.04 2.09 2.29 2dvlB1 GLU 252 HB3 -0.02 -0.06 0.05 -0.04 1.99 1.93 2dvlB1 GLU 252 HG2 0.16 -0.10 0.04 -0.04 2.34 2.40 2dvlB1 GLU 252 HG3 0.14 0.39 0.14 -0.04 2.34 2.97 2dvlB1 ILE 253 H -0.03 0.37 -0.34 -0.55 8.25 7.70 2dvlB1 ILE 253 HA 0.04 0.04 0.54 -0.75 4.18 4.04 2dvlB1 ILE 253 HB 0.06 0.13 0.20 -0.04 1.89 2.23 2dvlB1 ILE 253 HG12 0.13 -0.05 0.07 -0.04 1.49 1.59 2dvlB1 ILE 253 HG13 0.08 0.08 0.09 -0.04 1.21 1.42 2dvlB1 ILE 253 HG23 0.11 0.01 -0.00 -0.04 0.93 1.00 2dvlB1 ILE 253 HD13 0.25 0.04 0.03 -0.04 0.88 1.15 2dvlB1 ALA 254 H -0.06 0.48 -0.06 -0.55 8.40 8.21 2dvlB1 ALA 254 HA 0.05 0.02 0.48 -0.75 4.34 4.13 2dvlB1 ALA 254 HB3 -0.03 0.02 0.16 -0.04 1.41 1.52 2dvlB1 LYS 255 H -0.35 0.68 -0.02 -0.55 8.42 8.18 2dvlB1 LYS 255 HA -0.16 -0.00 0.39 -0.75 4.32 3.79 2dvlB1 LYS 255 HB2 -0.83 0.02 0.07 -0.04 1.87 1.08 2dvlB1 LYS 255 HB3 -0.33 0.08 0.11 -0.04 1.79 1.61 2dvlB1 LYS 255 HG2 -0.10 0.01 -0.22 -0.04 1.46 1.11 2dvlB1 LYS 255 HG3 -0.12 -0.04 0.01 -0.04 1.46 1.27 2dvlB1 LYS 255 HD2 -0.05 -0.01 -0.03 -0.04 1.69 1.56 2dvlB1 LYS 255 HD3 -0.08 0.02 -0.03 -0.04 1.68 1.55 2dvlB1 LYS 255 HE2 0.01 -0.02 -0.04 -0.04 2.99 2.90 2dvlB1 LYS 255 HE3 0.06 -0.01 -0.03 -0.04 2.99 2.96 2dvlB1 ALA 256 H -0.07 0.48 -0.20 -0.55 8.40 8.06 2dvlB1 ALA 256 HA -0.03 0.03 0.44 -0.75 4.34 4.02 2dvlB1 ALA 256 HB3 0.01 0.03 0.12 -0.04 1.41 1.53 2dvlB1 TYR 257 H 0.14 0.56 -0.14 -0.55 8.29 8.30 2dvlB1 TYR 257 HA 0.00 -0.02 0.46 -0.75 4.56 4.25 2dvlB1 TYR 257 HB2 0.04 0.18 0.18 -0.04 3.06 3.43 2dvlB1 TYR 257 HB3 0.01 0.09 0.13 -0.04 2.98 3.17 2dvlB1 TYR 257 HD2 0.05 0.06 -0.09 -0.04 7.15 7.13 2dvlB1 TYR 257 HE2 0.01 0.03 0.03 -0.04 6.85 6.88 2dvlB1 ALA 258 H 0.08 0.64 -0.15 -0.55 8.40 8.43 2dvlB1 ALA 258 HA 0.02 0.01 0.45 -0.75 4.34 4.06 2dvlB1 ALA 258 HB3 0.05 0.01 0.05 -0.04 1.41 1.47 2dvlB1 GLU 259 H -0.05 0.36 -0.68 -0.55 8.60 7.69 2dvlB1 GLU 259 HA -0.05 0.02 0.76 -0.75 4.29 4.26 2dvlB1 GLU 259 HB2 -0.03 0.00 0.05 -0.04 2.09 2.07 2dvlB1 GLU 259 HB3 -0.04 0.20 0.14 -0.04 1.99 2.24 2dvlB1 GLU 259 HG2 -0.04 0.00 -0.03 -0.04 2.34 2.23 2dvlB1 GLU 259 HG3 -0.03 -0.06 0.12 -0.04 2.34 2.33 2dvlB1 GLU 260 H -0.15 0.28 -0.01 -0.55 8.60 8.16 2dvlB1 GLU 260 HA -0.10 0.15 0.93 -0.75 4.29 4.51 2dvlB1 GLU 260 HB2 -0.20 0.02 0.23 -0.04 2.09 2.09 2dvlB1 GLU 260 HB3 -0.14 -0.06 0.02 -0.04 1.99 1.77 2dvlB1 GLU 260 HG2 -0.06 0.12 -0.04 -0.04 2.34 2.32 2dvlB1 GLU 260 HG3 -0.05 -0.05 -0.00 -0.04 2.34 2.20 2dvlB1 ARG 261 H -0.47 0.56 0.31 -0.55 8.46 8.31 2dvlB1 ARG 261 HA -0.27 -0.00 0.46 -0.75 4.34 3.78 2dvlB1 ARG 261 HB2 -1.34 -0.00 0.17 -0.04 1.90 0.69 2dvlB1 ARG 261 HB3 -0.49 0.02 0.13 -0.04 1.80 1.43 2dvlB1 ARG 261 HG2 0.06 0.02 -0.04 -0.04 1.67 1.67 2dvlB1 ARG 261 HG3 -0.06 -0.01 -0.29 -0.04 1.67 1.27 2dvlB1 ARG 261 HD2 -0.13 -0.06 0.16 -0.04 3.22 3.14 2dvlB1 ARG 261 HD3 -0.12 -0.01 0.06 -0.04 3.22 3.11 2dvlB1 GLU 262 H -0.09 0.18 0.25 -0.55 8.60 8.40 2dvlB1 GLU 262 HA -0.01 0.29 1.01 -0.75 4.29 4.83 2dvlB1 GLU 262 HB2 -0.04 -0.04 0.03 -0.04 2.09 2.00 2dvlB1 GLU 262 HB3 -0.01 -0.10 -0.19 -0.04 1.99 1.65 2dvlB1 GLU 262 HG2 -0.04 -0.06 -0.55 -0.04 2.34 1.65 2dvlB1 GLU 262 HG3 -0.06 0.23 -0.40 -0.04 2.34 2.07 2dvlB1 GLN 263 H 0.12 0.71 0.22 -0.55 8.47 8.97 2dvlB1 GLN 263 HA -0.05 0.05 0.63 -0.75 4.36 4.24 2dvlB1 GLN 263 HB2 0.06 0.06 -0.23 -0.04 2.15 2.00 2dvlB1 GLN 263 HB3 0.19 0.02 0.00 -0.04 2.02 2.19 2dvlB1 GLN 263 HG2 -0.01 0.01 0.01 -0.04 2.40 2.36 2dvlB1 GLN 263 HG3 -0.42 -0.04 0.02 -0.04 2.39 1.91 2dvlB1 GLN 263 HE21 -0.11 0.01 0.07 -0.04 6.97 6.89 2dvlB1 GLN 263 HE22 -0.26 -0.01 0.05 -0.04 7.69 7.43 2dvlB1 PHE 264 H -0.22 0.17 0.15 -0.55 8.34 7.88 2dvlB1 PHE 264 HA 0.03 0.04 0.34 -0.75 4.62 4.28 2dvlB1 PHE 264 HB2 0.15 0.27 -0.02 -0.04 3.15 3.50 2dvlB1 PHE 264 HB3 0.09 0.01 0.25 -0.04 3.06 3.37 2dvlB1 PHE 264 HD2 -0.05 0.03 -0.07 -0.04 7.28 7.15 2dvlB1 PHE 264 HE2 -0.04 0.01 -0.00 -0.04 7.38 7.31 2dvlB1 PHE 264 HZ -0.03 0.01 0.01 -0.04 7.32 7.26 2dvlB1 GLY 265 H 0.06 0.01 -0.28 -0.55 8.43 7.67 2dvlB1 GLY 265 HA2 0.03 -0.01 0.24 -0.51 4.01 3.77 2dvlB1 GLY 265 HA3 0.07 0.15 0.52 -0.51 4.01 4.23 2dvlB1 LYS 266 H 0.10 0.29 -0.30 -0.55 8.42 7.95 2dvlB1 LYS 266 HA -0.03 0.18 0.84 -0.75 4.32 4.55 2dvlB1 LYS 266 HB2 -0.32 0.06 -0.12 -0.04 1.87 1.45 2dvlB1 LYS 266 HB3 -0.15 -0.04 0.11 -0.04 1.79 1.67 2dvlB1 LYS 266 HG2 -0.04 0.05 -0.17 -0.04 1.46 1.26 2dvlB1 LYS 266 HG3 0.01 0.02 -0.39 -0.04 1.46 1.07 2dvlB1 LYS 266 HD2 -0.41 -0.02 -0.15 -0.04 1.69 1.07 2dvlB1 LYS 266 HD3 -0.15 0.01 -0.05 -0.04 1.68 1.45 2dvlB1 LYS 266 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.90 2dvlB1 LYS 266 HE3 0.05 0.04 -0.03 -0.04 2.99 3.01 2dvlB1 LYS 267 H -0.07 0.10 0.14 -0.55 8.42 8.05 2dvlB1 LYS 267 HA -0.05 0.33 0.56 -0.75 4.32 4.41 2dvlB1 LYS 267 HB2 -0.06 -0.14 0.12 -0.04 1.87 1.75 2dvlB1 LYS 267 HB3 -0.06 0.16 0.05 -0.04 1.79 1.90 2dvlB1 LYS 267 HG2 -0.06 0.20 -0.15 -0.04 1.46 1.40 2dvlB1 LYS 267 HG3 -0.05 -0.13 -0.01 -0.04 1.46 1.23 2dvlB1 LYS 267 HD2 -0.04 -0.11 0.05 -0.04 1.69 1.55 2dvlB1 LYS 267 HD3 -0.04 0.09 0.09 -0.04 1.68 1.78 2dvlB1 LYS 267 HE2 -0.04 -0.08 0.02 -0.04 2.99 2.86 2dvlB1 LYS 267 HE3 -0.03 -0.07 0.05 -0.04 2.99 2.89 2dvlB1 LEU 268 H -0.02 0.61 0.24 -0.55 8.37 8.65 2dvlB1 LEU 268 HA 0.19 -0.01 0.37 -0.75 4.35 4.15 2dvlB1 LEU 268 HB2 0.04 0.02 0.24 -0.04 1.64 1.90 2dvlB1 LEU 268 HB3 0.12 -0.07 0.07 -0.04 1.64 1.73 2dvlB1 LEU 268 HG -0.00 0.10 -0.07 -0.04 1.64 1.62 2dvlB1 LEU 268 HD13 0.21 -0.01 -0.00 -0.04 0.93 1.09 2dvlB1 LEU 268 HD23 0.17 -0.02 -0.06 -0.04 0.89 0.93 2dvlB1 LYS 269 H -0.01 0.74 -0.05 -0.55 8.42 8.54 2dvlB1 LYS 269 HA 0.04 -0.03 0.29 -0.75 4.32 3.86 2dvlB1 LYS 269 HB2 0.01 -0.05 0.04 -0.04 1.87 1.83 2dvlB1 LYS 269 HB3 0.00 0.06 -0.08 -0.04 1.79 1.73 2dvlB1 LYS 269 HG2 -0.03 0.05 -0.02 -0.04 1.46 1.42 2dvlB1 LYS 269 HG3 -0.02 -0.01 -0.35 -0.04 1.46 1.03 2dvlB1 LYS 269 HD2 -0.00 -0.04 -0.06 -0.04 1.69 1.54 2dvlB1 LYS 269 HD3 -0.02 0.03 -0.05 -0.04 1.68 1.60 2dvlB1 LYS 269 HE2 -0.03 0.05 0.02 -0.04 2.99 2.98 2dvlB1 LYS 269 HE3 -0.02 -0.04 -0.05 -0.04 2.99 2.84 2dvlB1 GLU 270 H -0.11 0.53 -0.58 -0.55 8.60 7.90 2dvlB1 GLU 270 HA -0.07 0.08 0.54 -0.75 4.29 4.08 2dvlB1 GLU 270 HB2 -0.26 0.19 0.05 -0.04 2.09 2.02 2dvlB1 GLU 270 HB3 -0.16 -0.06 0.10 -0.04 1.99 1.83 2dvlB1 GLU 270 HG2 -0.08 -0.02 0.02 -0.04 2.34 2.22 2dvlB1 GLU 270 HG3 -0.08 -0.04 0.07 -0.04 2.34 2.25 2dvlB1 HIS 271 H -0.07 0.59 -0.17 -0.55 8.41 8.22 2dvlB1 HIS 271 HA -0.05 0.11 0.77 -0.75 4.63 4.71 2dvlB1 HIS 271 HB2 -0.00 0.04 0.21 -0.04 3.26 3.47 2dvlB1 HIS 271 HB3 -0.05 -0.11 0.08 -0.04 3.20 3.08 2dvlB1 HIS 271 HD2 0.06 -0.01 0.05 -0.04 6.97 7.02 2dvlB1 HIS 271 HE1 0.04 0.03 -0.01 -0.04 7.75 7.77 2dvlB1 GLN 272 H -0.05 0.21 0.13 -0.55 8.47 8.21 2dvlB1 GLN 272 HA -0.17 0.11 0.29 -0.75 4.36 3.83 2dvlB1 GLN 272 HB2 -0.27 -0.04 0.12 -0.04 2.15 1.92 2dvlB1 GLN 272 HB3 -0.84 0.02 -0.02 -0.04 2.02 1.13 2dvlB1 GLN 272 HG2 -0.15 0.05 0.04 -0.04 2.40 2.30 2dvlB1 GLN 272 HG3 -0.12 0.04 0.10 -0.04 2.39 2.37 2dvlB1 GLN 272 HE21 0.01 0.00 0.01 -0.04 6.97 6.95 2dvlB1 GLN 272 HE22 -0.00 0.03 0.01 -0.04 7.69 7.69 2dvlB1 ALA 273 H -0.10 0.09 -0.21 -0.55 8.40 7.63 2dvlB1 ALA 273 HA -0.10 0.06 0.36 -0.75 4.34 3.90 2dvlB1 ALA 273 HB3 -0.03 0.02 0.05 -0.04 1.41 1.40 2dvlB1 ILE 274 H 0.06 0.21 -0.19 -0.55 8.25 7.77 2dvlB1 ILE 274 HA 0.09 0.04 0.47 -0.75 4.18 4.02 2dvlB1 ILE 274 HB 0.11 0.31 0.14 -0.04 1.89 2.41 2dvlB1 ILE 274 HG12 0.09 -0.11 0.04 -0.04 1.49 1.47 2dvlB1 ILE 274 HG13 0.13 0.04 0.05 -0.04 1.21 1.38 2dvlB1 ILE 274 HG23 0.09 -0.03 -0.23 -0.04 0.93 0.72 2dvlB1 ILE 274 HD13 0.08 0.00 -0.03 -0.04 0.88 0.89 2dvlB1 ALA 275 H 0.08 0.52 -0.04 -0.55 8.40 8.42 2dvlB1 ALA 275 HA 0.12 0.01 0.42 -0.75 4.34 4.13 2dvlB1 ALA 275 HB3 0.15 0.09 0.08 -0.04 1.41 1.69 2dvlB1 PHE 276 H 0.30 0.67 -0.25 -0.55 8.34 8.51 2dvlB1 PHE 276 HA 0.05 0.00 0.48 -0.75 4.62 4.39 2dvlB1 PHE 276 HB2 0.04 0.18 0.13 -0.04 3.15 3.46 2dvlB1 PHE 276 HB3 0.04 -0.06 0.01 -0.04 3.06 3.00 2dvlB1 PHE 276 HD2 0.03 -0.06 -0.10 -0.04 7.28 7.10 2dvlB1 PHE 276 HE2 0.02 -0.01 -0.03 -0.04 7.38 7.32 2dvlB1 PHE 276 HZ 0.02 -0.01 -0.02 -0.04 7.32 7.27 2dvlB1 LYS 277 H 0.18 0.42 -0.18 -0.55 8.42 8.29 2dvlB1 LYS 277 HA 0.12 0.01 0.49 -0.75 4.32 4.20 2dvlB1 LYS 277 HB2 0.11 0.18 0.21 -0.04 1.87 2.32 2dvlB1 LYS 277 HB3 0.10 -0.05 -0.00 -0.04 1.79 1.80 2dvlB1 LYS 277 HG2 0.09 -0.06 0.05 -0.04 1.46 1.49 2dvlB1 LYS 277 HG3 0.10 0.24 0.10 -0.04 1.46 1.85 2dvlB1 LYS 277 HD2 0.07 0.00 -0.02 -0.04 1.69 1.70 2dvlB1 LYS 277 HD3 0.07 -0.00 0.01 -0.04 1.68 1.72 2dvlB1 LYS 277 HE2 0.05 -0.03 -0.09 -0.04 2.99 2.87 2dvlB1 LYS 277 HE3 0.04 -0.00 -0.07 -0.04 2.99 2.92 2dvlB1 ILE 278 H 0.14 0.55 -0.08 -0.55 8.25 8.31 2dvlB1 ILE 278 HA 0.22 0.02 0.41 -0.75 4.18 4.08 2dvlB1 ILE 278 HB 0.11 0.13 0.16 -0.04 1.89 2.24 2dvlB1 ILE 278 HG12 -0.00 0.01 -0.02 -0.04 1.49 1.43 2dvlB1 ILE 278 HG13 -0.01 -0.05 -0.04 -0.04 1.21 1.07 2dvlB1 ILE 278 HG23 0.15 -0.01 -0.14 -0.04 0.93 0.88 2dvlB1 ILE 278 HD13 0.07 -0.01 -0.07 -0.04 0.88 0.83 2dvlB1 ALA 279 H 0.14 0.46 -0.25 -0.55 8.40 8.21 2dvlB1 ALA 279 HA 0.13 0.02 0.48 -0.75 4.34 4.21 2dvlB1 ALA 279 HB3 0.00 0.03 0.10 -0.04 1.41 1.50 2dvlB1 ASP 280 H 0.09 0.62 -0.08 -0.55 8.40 8.48 2dvlB1 ASP 280 HA 0.03 -0.01 0.42 -0.75 4.63 4.31 2dvlB1 ASP 280 HB2 0.08 0.11 0.19 -0.04 2.71 3.04 2dvlB1 ASP 280 HB3 0.04 -0.06 0.01 -0.04 2.70 2.66 2dvlB1 MET 281 H 0.14 0.59 -0.21 -0.55 8.47 8.44 2dvlB1 MET 281 HA 0.04 -0.00 0.39 -0.75 4.52 4.19 2dvlB1 MET 281 HB2 0.42 0.13 0.17 -0.04 2.15 2.83 2dvlB1 MET 281 HB3 0.28 -0.06 0.02 -0.04 2.03 2.23 2dvlB1 MET 281 HG2 0.13 -0.06 0.08 -0.04 2.63 2.74 2dvlB1 MET 281 HG3 0.17 0.37 0.08 -0.04 2.56 3.14 2dvlB1 MET 281 HE3 0.11 0.01 -0.30 -0.04 2.10 1.88 2dvlB1 HIS 282 H 0.15 0.53 -0.16 -0.55 8.41 8.39 2dvlB1 HIS 282 HA -0.55 -0.02 0.34 -0.75 4.63 3.65 2dvlB1 HIS 282 HB2 -0.07 0.02 0.12 -0.04 3.26 3.30 2dvlB1 HIS 282 HB3 -0.01 0.17 0.20 -0.04 3.20 3.52 2dvlB1 HIS 282 HD2 -0.03 0.02 -0.12 -0.04 6.97 6.79 2dvlB1 HIS 282 HE1 -0.05 -0.00 -0.03 -0.04 7.75 7.62 2dvlB1 VAL 283 H 0.01 0.59 -0.13 -0.55 8.24 8.16 2dvlB1 VAL 283 HA -0.18 -0.02 0.40 -0.75 4.13 3.57 2dvlB1 VAL 283 HB -0.00 0.12 0.14 -0.04 2.12 2.33 2dvlB1 VAL 283 HG13 -0.00 -0.02 -0.07 -0.04 0.97 0.83 2dvlB1 VAL 283 HG23 0.06 0.08 0.04 -0.04 0.95 1.09 2dvlB1 LYS 284 H -0.06 0.62 -0.16 -0.55 8.42 8.26 2dvlB1 LYS 284 HA 0.09 -0.02 0.43 -0.75 4.32 4.07 2dvlB1 LYS 284 HB2 -0.06 0.17 0.18 -0.04 1.87 2.13 2dvlB1 LYS 284 HB3 -0.08 -0.09 0.04 -0.04 1.79 1.62 2dvlB1 LYS 284 HG2 -0.02 -0.08 0.03 -0.04 1.46 1.35 2dvlB1 LYS 284 HG3 -0.01 0.31 0.06 -0.04 1.46 1.78 2dvlB1 LYS 284 HD2 -0.04 0.02 -0.07 -0.04 1.69 1.56 2dvlB1 LYS 284 HD3 -0.12 -0.05 0.01 -0.04 1.68 1.48 2dvlB1 LYS 284 HE2 -0.04 -0.02 -0.06 -0.04 2.99 2.83 2dvlB1 LYS 284 HE3 -0.04 -0.03 -0.04 -0.04 2.99 2.84 2dvlB1 ILE 285 H -0.19 0.61 -0.09 -0.55 8.25 8.04 2dvlB1 ILE 285 HA -0.08 -0.01 0.45 -0.75 4.18 3.79 2dvlB1 ILE 285 HB -0.38 0.12 0.14 -0.04 1.89 1.74 2dvlB1 ILE 285 HG12 -0.12 -0.06 -0.03 -0.04 1.49 1.24 2dvlB1 ILE 285 HG13 -0.17 0.11 0.03 -0.04 1.21 1.14 2dvlB1 ILE 285 HG23 -0.17 -0.02 -0.10 -0.04 0.93 0.60 2dvlB1 ILE 285 HD13 -0.36 -0.00 -0.20 -0.04 0.88 0.28 2dvlB1 ALA 286 H -0.35 0.72 -0.05 -0.55 8.40 8.17 2dvlB1 ALA 286 HA -0.17 -0.01 0.40 -0.75 4.34 3.81 2dvlB1 ALA 286 HB3 -0.31 0.02 0.08 -0.04 1.41 1.15 2dvlB1 ALA 287 H -0.07 0.64 -0.12 -0.55 8.40 8.30 2dvlB1 ALA 287 HA -0.13 -0.01 0.45 -0.75 4.34 3.90 2dvlB1 ALA 287 HB3 -0.07 0.02 0.11 -0.04 1.41 1.43 2dvlB1 ALA 288 H 0.14 0.66 -0.13 -0.55 8.40 8.52 2dvlB1 ALA 288 HA 0.17 -0.03 0.38 -0.75 4.34 4.11 2dvlB1 ALA 288 HB3 0.13 0.03 0.11 -0.04 1.41 1.63 2dvlB1 ARG 289 H -0.04 0.74 -0.04 -0.55 8.46 8.56 2dvlB1 ARG 289 HA -0.05 -0.01 0.45 -0.75 4.34 3.98 2dvlB1 ARG 289 HB2 -0.06 0.05 0.11 -0.04 1.90 1.96 2dvlB1 ARG 289 HB3 -0.07 0.10 0.11 -0.04 1.80 1.91 2dvlB1 ARG 289 HG2 -0.05 -0.01 -0.12 -0.04 1.67 1.44 2dvlB1 ARG 289 HG3 -0.06 -0.09 0.06 -0.04 1.67 1.54 2dvlB1 ARG 289 HD2 -0.04 -0.03 -0.03 -0.04 3.22 3.08 2dvlB1 ARG 289 HD3 -0.06 0.00 -0.02 -0.04 3.22 3.11 2dvlB1 ALA 290 H -0.08 0.60 -0.24 -0.55 8.40 8.14 2dvlB1 ALA 290 HA -0.06 -0.03 0.41 -0.75 4.34 3.90 2dvlB1 ALA 290 HB3 -0.09 0.05 0.12 -0.04 1.41 1.45 2dvlB1 LEU 291 H -0.11 0.54 -0.19 -0.55 8.37 8.07 2dvlB1 LEU 291 HA -0.08 0.01 0.49 -0.75 4.35 4.02 2dvlB1 LEU 291 HB2 -0.09 0.17 0.15 -0.04 1.64 1.84 2dvlB1 LEU 291 HB3 -0.07 -0.08 0.01 -0.04 1.64 1.46 2dvlB1 LEU 291 HG -0.28 0.15 0.03 -0.04 1.64 1.50 2dvlB1 LEU 291 HD13 -0.38 -0.02 -0.10 -0.04 0.93 0.39 2dvlB1 LEU 291 HD23 -0.14 -0.02 -0.02 -0.04 0.89 0.67 2dvlB1 VAL 292 H -0.04 0.46 -0.19 -0.55 8.24 7.92 2dvlB1 VAL 292 HA -0.02 0.02 0.47 -0.75 4.13 3.85 2dvlB1 VAL 292 HB -0.05 0.12 0.21 -0.04 2.12 2.36 2dvlB1 VAL 292 HG13 -0.09 -0.02 -0.13 -0.04 0.97 0.70 2dvlB1 VAL 292 HG23 -0.04 0.07 -0.09 -0.04 0.95 0.85 2dvlB1 LEU 293 H -0.04 0.71 0.01 -0.55 8.37 8.50 2dvlB1 LEU 293 HA -0.03 -0.03 0.43 -0.75 4.35 3.97 2dvlB1 LEU 293 HB2 -0.04 0.13 0.10 -0.04 1.64 1.79 2dvlB1 LEU 293 HB3 -0.03 -0.07 0.03 -0.04 1.64 1.53 2dvlB1 LEU 293 HG -0.05 0.22 0.07 -0.04 1.64 1.85 2dvlB1 LEU 293 HD13 -0.03 -0.01 -0.02 -0.04 0.93 0.83 2dvlB1 LEU 293 HD23 -0.04 -0.04 -0.01 -0.04 0.89 0.75 2dvlB1 GLU 294 H -0.04 0.51 -0.24 -0.55 8.60 8.28 2dvlB1 GLU 294 HA -0.03 0.02 0.44 -0.75 4.29 3.96 2dvlB1 GLU 294 HB2 -0.04 0.04 0.12 -0.04 2.09 2.18 2dvlB1 GLU 294 HB3 -0.04 0.13 0.17 -0.04 1.99 2.21 2dvlB1 GLU 294 HG2 -0.01 -0.03 -0.24 -0.04 2.34 2.02 2dvlB1 GLU 294 HG3 -0.02 -0.05 0.02 -0.04 2.34 2.25 2dvlB1 ALA 295 H -0.02 0.47 -0.30 -0.55 8.40 8.01 2dvlB1 ALA 295 HA 0.00 -0.01 0.44 -0.75 4.34 4.01 2dvlB1 ALA 295 HB3 0.06 0.07 0.05 -0.04 1.41 1.55 2dvlB1 ALA 296 H -0.03 0.60 -0.04 -0.55 8.40 8.39 2dvlB1 ALA 296 HA -0.08 0.01 0.36 -0.75 4.34 3.88 2dvlB1 ALA 296 HB3 0.03 -0.02 -0.10 -0.04 1.41 1.29 2dvlB1 ARG 297 H -0.05 0.67 -0.26 -0.55 8.46 8.27 2dvlB1 ARG 297 HA -0.04 -0.07 0.43 -0.75 4.34 3.91 2dvlB1 ARG 297 HB2 -0.03 0.16 0.15 -0.04 1.90 2.13 2dvlB1 ARG 297 HB3 -0.03 -0.03 -0.00 -0.04 1.80 1.70 2dvlB1 ARG 297 HG2 -0.02 -0.13 0.03 -0.04 1.67 1.51 2dvlB1 ARG 297 HG3 -0.02 0.19 0.05 -0.04 1.67 1.85 2dvlB1 ARG 297 HD2 -0.02 -0.01 -0.01 -0.04 3.22 3.15 2dvlB1 ARG 297 HD3 -0.02 -0.05 -0.02 -0.04 3.22 3.10 2dvlB1 LYS 298 H -0.09 0.44 -0.25 -0.55 8.42 7.97 2dvlB1 LYS 298 HA -0.03 0.03 0.39 -0.75 4.32 3.95 2dvlB1 LYS 298 HB2 -0.01 0.14 0.17 -0.04 1.87 2.12 2dvlB1 LYS 298 HB3 -0.03 0.03 0.07 -0.04 1.79 1.82 2dvlB1 LYS 298 HG2 0.09 -0.01 -0.19 -0.04 1.46 1.30 2dvlB1 LYS 298 HG3 0.03 -0.02 0.02 -0.04 1.46 1.45 2dvlB1 LYS 298 HD2 0.05 -0.01 0.00 -0.04 1.69 1.70 2dvlB1 LYS 298 HD3 0.14 -0.09 0.01 -0.04 1.68 1.70 2dvlB1 LYS 298 HE2 0.05 -0.07 0.03 -0.04 2.99 2.96 2dvlB1 LYS 298 HE3 0.07 0.08 -0.01 -0.04 2.99 3.09 2dvlB1 LYS 299 H -0.42 0.56 -0.15 -0.55 8.42 7.85 2dvlB1 LYS 299 HA -0.41 0.07 0.37 -0.75 4.32 3.60 2dvlB1 LYS 299 HB2 -1.51 -0.01 0.10 -0.04 1.87 0.40 2dvlB1 LYS 299 HB3 -0.38 0.14 0.22 -0.04 1.79 1.73 2dvlB1 LYS 299 HG2 -0.13 0.01 -0.20 -0.04 1.46 1.09 2dvlB1 LYS 299 HG3 -0.10 -0.01 0.01 -0.04 1.46 1.32 2dvlB1 LYS 299 HD2 -0.09 -0.04 -0.00 -0.04 1.69 1.52 2dvlB1 LYS 299 HD3 -0.12 -0.04 0.04 -0.04 1.68 1.51 2dvlB1 LYS 299 HE2 -0.28 -0.00 -0.01 -0.04 2.99 2.66 2dvlB1 LYS 299 HE3 -0.12 0.01 -0.03 -0.04 2.99 2.82 2dvlB1 ASP 300 H -0.12 0.46 -0.10 -0.55 8.40 8.09 2dvlB1 ASP 300 HA -0.04 0.02 0.40 -0.75 4.63 4.25 2dvlB1 ASP 300 HB2 -0.04 0.14 0.18 -0.04 2.71 2.95 2dvlB1 ASP 300 HB3 -0.02 -0.01 0.10 -0.04 2.70 2.73 2dvlB1 ARG 301 H -0.04 0.38 -0.63 -0.55 8.46 7.62 2dvlB1 ARG 301 HA -0.01 0.09 0.72 -0.75 4.34 4.39 2dvlB1 ARG 301 HB2 -0.00 0.09 0.16 -0.04 1.90 2.11 2dvlB1 ARG 301 HB3 0.00 -0.07 0.18 -0.04 1.80 1.88 2dvlB1 ARG 301 HG2 -0.01 -0.03 -0.00 -0.04 1.67 1.59 2dvlB1 ARG 301 HG3 -0.02 0.17 0.00 -0.04 1.67 1.78 2dvlB1 ARG 301 HD2 -0.00 -0.02 0.03 -0.04 3.22 3.19 2dvlB1 ARG 301 HD3 -0.01 -0.04 0.00 -0.04 3.22 3.13 2dvlB1 GLY 302 H 0.01 0.55 -0.28 -0.55 8.43 8.16 2dvlB1 GLY 302 HA2 0.06 0.02 0.33 -0.51 4.01 3.90 2dvlB1 GLY 302 HA3 0.03 -0.01 0.38 -0.51 4.01 3.90 2dvlB1 GLU 303 H 0.07 0.28 -0.28 -0.55 8.60 8.13 2dvlB1 GLU 303 HA 0.07 0.14 0.79 -0.75 4.29 4.53 2dvlB1 GLU 303 HB2 0.08 -0.01 -0.10 -0.04 2.09 2.02 2dvlB1 GLU 303 HB3 0.06 -0.07 0.09 -0.04 1.99 2.03 2dvlB1 GLU 303 HG2 0.03 0.09 -0.14 -0.04 2.34 2.28 2dvlB1 GLU 303 HG3 0.03 0.02 -0.16 -0.04 2.34 2.19 2dvlB1 ARG 304 H 0.07 0.13 0.15 -0.55 8.46 8.25 2dvlB1 ARG 304 HA 0.05 0.06 0.48 -0.75 4.34 4.18 2dvlB1 ARG 304 HB2 0.02 0.08 0.16 -0.04 1.90 2.12 2dvlB1 ARG 304 HB3 0.03 0.02 0.18 -0.04 1.80 1.99 2dvlB1 ARG 304 HG2 -0.03 -0.28 -0.09 -0.04 1.67 1.23 2dvlB1 ARG 304 HG3 -0.04 0.05 0.08 -0.04 1.67 1.72 2dvlB1 ARG 304 HD2 -0.00 0.07 0.04 -0.04 3.22 3.29 2dvlB1 ARG 304 HD3 0.00 0.02 0.02 -0.04 3.22 3.22 2dvlB1 PHE 305 H -0.22 0.17 0.15 -0.55 8.34 7.89 2dvlB1 PHE 305 HA 0.01 0.19 0.86 -0.75 4.62 4.92 2dvlB1 PHE 305 HB2 0.02 -0.08 0.14 -0.04 3.15 3.19 2dvlB1 PHE 305 HB3 0.02 0.15 -0.27 -0.04 3.06 2.91 2dvlB1 PHE 305 HD2 0.03 0.14 -0.01 -0.04 7.28 7.40 2dvlB1 PHE 305 HE2 0.05 0.09 -0.16 -0.04 7.38 7.31 2dvlB1 PHE 305 HZ 0.03 -0.02 -0.09 -0.04 7.32 7.20 2dvlB1 THR 306 H -0.14 0.18 -0.01 -0.55 8.28 7.76 2dvlB1 THR 306 HA -0.23 0.09 0.42 -0.75 4.39 3.92 2dvlB1 THR 306 HB -0.07 0.01 0.08 -0.04 4.32 4.30 2dvlB1 THR 306 HG23 -0.07 0.02 -0.06 -0.04 1.22 1.07 2dvlB1 LEU 307 H -0.01 0.13 -0.15 -0.55 8.37 7.79 2dvlB1 LEU 307 HA -0.01 0.11 0.41 -0.75 4.35 4.11 2dvlB1 LEU 307 HB2 -0.01 0.07 0.05 -0.04 1.64 1.71 2dvlB1 LEU 307 HB3 0.01 -0.02 0.06 -0.04 1.64 1.65 2dvlB1 LEU 307 HG -0.00 -0.01 -0.32 -0.04 1.64 1.27 2dvlB1 LEU 307 HD13 -0.02 0.01 0.03 -0.04 0.93 0.91 2dvlB1 LEU 307 HD23 -0.02 0.03 -0.06 -0.04 0.89 0.79 2dvlB1 GLU 308 H 0.07 0.11 -0.18 -0.55 8.60 8.05 2dvlB1 GLU 308 HA 0.03 0.07 0.41 -0.75 4.29 4.05 2dvlB1 GLU 308 HB2 0.16 0.07 0.07 -0.04 2.09 2.35 2dvlB1 GLU 308 HB3 0.06 0.03 0.04 -0.04 1.99 2.08 2dvlB1 GLU 308 HG2 0.04 0.07 -0.02 -0.04 2.34 2.39 2dvlB1 GLU 308 HG3 0.02 0.01 -0.00 -0.04 2.34 2.33 2dvlB1 ALA 309 H 0.10 0.34 -0.40 -0.55 8.40 7.90 2dvlB1 ALA 309 HA 0.13 0.05 0.50 -0.75 4.34 4.27 2dvlB1 ALA 309 HB3 0.12 0.05 0.14 -0.04 1.41 1.68 2dvlB1 SER 310 H 0.01 0.45 -0.02 -0.55 8.46 8.35 2dvlB1 SER 310 HA -0.00 0.08 0.50 -0.75 4.49 4.31 2dvlB1 SER 310 HB2 -0.01 0.07 0.17 -0.04 3.95 4.15 2dvlB1 SER 310 HB3 -0.01 0.02 0.09 -0.04 3.93 3.99 2dvlB1 ALA 311 H 0.02 0.49 -0.15 -0.55 8.40 8.21 2dvlB1 ALA 311 HA 0.02 0.02 0.38 -0.75 4.34 4.00 2dvlB1 ALA 311 HB3 -0.00 0.03 0.08 -0.04 1.41 1.48 2dvlB1 ALA 312 H 0.03 0.48 -0.25 -0.55 8.40 8.11 2dvlB1 ALA 312 HA 0.04 -0.02 0.36 -0.75 4.34 3.96 2dvlB1 ALA 312 HB3 0.02 0.04 -0.01 -0.04 1.41 1.42 2dvlB1 LYS 313 H 0.02 0.54 -0.18 -0.55 8.42 8.24 2dvlB1 LYS 313 HA -0.03 -0.02 0.45 -0.75 4.32 3.96 2dvlB1 LYS 313 HB2 -0.01 0.11 0.16 -0.04 1.87 2.09 2dvlB1 LYS 313 HB3 -0.03 -0.00 0.16 -0.04 1.79 1.87 2dvlB1 LYS 313 HG2 -0.09 -0.08 0.04 -0.04 1.46 1.28 2dvlB1 LYS 313 HG3 -0.08 -0.00 0.07 -0.04 1.46 1.41 2dvlB1 LYS 313 HD2 -0.08 -0.03 -0.16 -0.04 1.69 1.38 2dvlB1 LYS 313 HD3 -0.10 -0.12 -0.22 -0.04 1.68 1.21 2dvlB1 LYS 313 HE2 -0.29 -0.14 -0.02 -0.04 2.99 2.50 2dvlB1 LYS 313 HE3 -0.19 0.02 -0.12 -0.04 2.99 2.66 2dvlB1 LEU 314 H 0.01 0.72 -0.07 -0.55 8.37 8.48 2dvlB1 LEU 314 HA -0.02 0.00 0.38 -0.75 4.35 3.95 2dvlB1 LEU 314 HB2 0.00 0.01 0.11 -0.04 1.64 1.72 2dvlB1 LEU 314 HB3 0.04 0.10 0.18 -0.04 1.64 1.92 2dvlB1 LEU 314 HG 0.02 -0.02 -0.20 -0.04 1.64 1.40 2dvlB1 LEU 314 HD13 -0.02 -0.01 0.07 -0.04 0.93 0.94 2dvlB1 LEU 314 HD23 0.02 -0.02 -0.07 -0.04 0.89 0.78 2dvlB1 PHE 315 H 0.16 0.71 -0.03 -0.55 8.34 8.63 2dvlB1 PHE 315 HA -0.03 0.00 0.43 -0.75 4.62 4.26 2dvlB1 PHE 315 HB2 -0.03 0.03 0.11 -0.04 3.15 3.22 2dvlB1 PHE 315 HB3 -0.04 0.04 0.12 -0.04 3.06 3.14 2dvlB1 PHE 315 HD2 -0.04 0.00 -0.13 -0.04 7.28 7.07 2dvlB1 PHE 315 HE2 -0.05 0.05 -0.01 -0.04 7.38 7.33 2dvlB1 PHE 315 HZ -0.05 0.00 -0.01 -0.04 7.32 7.23 2dvlB1 ALA 316 H 0.13 0.68 -0.04 -0.55 8.40 8.61 2dvlB1 ALA 316 HA 0.02 -0.03 0.42 -0.75 4.34 4.00 2dvlB1 ALA 316 HB3 0.02 0.01 0.13 -0.04 1.41 1.54 2dvlB1 SER 317 H -0.05 0.69 -0.10 -0.55 8.46 8.45 2dvlB1 SER 317 HA -0.07 -0.01 0.43 -0.75 4.49 4.09 2dvlB1 SER 317 HB2 -0.09 -0.16 -0.36 -0.04 3.95 3.30 2dvlB1 SER 317 HB3 -0.10 0.14 -0.03 -0.04 3.93 3.90 2dvlB1 ALA 318 H -0.12 0.49 -0.24 -0.55 8.40 7.98 2dvlB1 ALA 318 HA -0.11 -0.01 0.42 -0.75 4.34 3.89 2dvlB1 ALA 318 HB3 -0.19 0.03 0.12 -0.04 1.41 1.33 2dvlB1 ALA 319 H -0.28 0.60 -0.14 -0.55 8.40 8.04 2dvlB1 ALA 319 HA -0.23 -0.03 0.40 -0.75 4.34 3.73 2dvlB1 ALA 319 HB3 -0.25 0.02 0.06 -0.04 1.41 1.20 2dvlB1 ALA 320 H -0.09 0.73 -0.14 -0.55 8.40 8.36 2dvlB1 ALA 320 HA -0.02 -0.05 0.40 -0.75 4.34 3.91 2dvlB1 ALA 320 HB3 -0.03 0.05 0.14 -0.04 1.41 1.54 2dvlB1 VAL 321 H -0.07 0.55 -0.19 -0.55 8.24 7.98 2dvlB1 VAL 321 HA -0.06 -0.00 0.39 -0.75 4.13 3.70 2dvlB1 VAL 321 HB -0.07 0.13 0.15 -0.04 2.12 2.29 2dvlB1 VAL 321 HG13 -0.06 -0.02 -0.15 -0.04 0.97 0.70 2dvlB1 VAL 321 HG23 -0.10 0.02 -0.10 -0.04 0.95 0.72 2dvlB1 GLU 322 H -0.05 0.64 -0.12 -0.55 8.60 8.53 2dvlB1 GLU 322 HA 0.03 -0.01 0.42 -0.75 4.29 3.98 2dvlB1 GLU 322 HB2 -0.07 0.11 0.16 -0.04 2.09 2.24 2dvlB1 GLU 322 HB3 -0.02 -0.07 -0.01 -0.04 1.99 1.85 2dvlB1 GLU 322 HG2 -0.02 -0.06 0.02 -0.04 2.34 2.23 2dvlB1 GLU 322 HG3 -0.05 0.03 0.05 -0.04 2.34 2.32 2dvlB1 VAL 323 H 0.00 0.71 -0.11 -0.55 8.24 8.29 2dvlB1 VAL 323 HA 0.06 0.02 0.54 -0.75 4.13 4.00 2dvlB1 VAL 323 HB 0.02 0.07 0.20 -0.04 2.12 2.38 2dvlB1 VAL 323 HG13 0.11 -0.02 -0.08 -0.04 0.97 0.94 2dvlB1 VAL 323 HG23 -0.02 0.03 0.06 -0.04 0.95 0.97 2dvlB1 THR 324 H 0.09 0.64 0.01 -0.55 8.28 8.48 2dvlB1 THR 324 HA 0.14 -0.02 0.35 -0.75 4.39 4.11 2dvlB1 THR 324 HB 0.31 -0.08 -0.02 -0.04 4.32 4.48 2dvlB1 THR 324 HG23 0.14 0.04 -0.08 -0.04 1.22 1.28 2dvlB1 ARG 325 H 0.20 0.44 -0.38 -0.55 8.46 8.16 2dvlB1 ARG 325 HA 0.08 0.02 0.43 -0.75 4.34 4.11 2dvlB1 ARG 325 HB2 0.34 0.08 0.12 -0.04 1.90 2.40 2dvlB1 ARG 325 HB3 0.13 0.13 0.11 -0.04 1.80 2.12 2dvlB1 ARG 325 HG2 0.05 -0.03 -0.20 -0.04 1.67 1.45 2dvlB1 ARG 325 HG3 0.10 -0.04 0.03 -0.04 1.67 1.72 2dvlB1 ARG 325 HD2 0.13 -0.00 -0.01 -0.04 3.22 3.29 2dvlB1 ARG 325 HD3 0.07 0.03 -0.02 -0.04 3.22 3.27 2dvlB1 GLU 326 H 0.09 0.42 -0.18 -0.55 8.60 8.38 2dvlB1 GLU 326 HA 0.05 0.02 0.55 -0.75 4.29 4.15 2dvlB1 GLU 326 HB2 0.09 0.17 0.18 -0.04 2.09 2.48 2dvlB1 GLU 326 HB3 0.08 -0.08 0.04 -0.04 1.99 1.98 2dvlB1 GLU 326 HG2 0.06 0.12 0.09 -0.04 2.34 2.57 2dvlB1 GLU 326 HG3 0.07 -0.02 0.06 -0.04 2.34 2.41 2dvlB1 ALA 327 H 0.09 0.54 -0.10 -0.55 8.40 8.38 2dvlB1 ALA 327 HA 0.06 -0.01 0.38 -0.75 4.34 4.02 2dvlB1 ALA 327 HB3 0.09 0.04 0.02 -0.04 1.41 1.52 2dvlB1 VAL 328 H 0.03 0.58 -0.18 -0.55 8.24 8.13 2dvlB1 VAL 328 HA 0.00 -0.02 0.37 -0.75 4.13 3.73 2dvlB1 VAL 328 HB -0.12 0.13 0.09 -0.04 2.12 2.18 2dvlB1 VAL 328 HG13 -0.03 -0.02 -0.33 -0.04 0.97 0.55 2dvlB1 VAL 328 HG23 -0.05 0.04 -0.06 -0.04 0.95 0.84 2dvlB1 GLN 329 H -0.01 0.36 -0.28 -0.55 8.47 8.00 2dvlB1 GLN 329 HA -0.02 -0.03 0.31 -0.75 4.36 3.87 2dvlB1 GLN 329 HB2 -0.00 0.13 0.18 -0.04 2.15 2.42 2dvlB1 GLN 329 HB3 0.03 0.15 0.16 -0.04 2.02 2.31 2dvlB1 GLN 329 HG2 0.02 -0.03 -0.01 -0.04 2.40 2.34 2dvlB1 GLN 329 HG3 0.02 -0.03 -0.11 -0.04 2.39 2.22 2dvlB1 GLN 329 HE21 -0.02 -0.02 -0.01 -0.04 6.97 6.88 2dvlB1 GLN 329 HE22 0.00 -0.02 -0.01 -0.04 7.69 7.62 2dvlB1 VAL 330 H 0.03 0.57 -0.20 -0.55 8.24 8.09 2dvlB1 VAL 330 HA 0.08 -0.04 0.41 -0.75 4.13 3.83 2dvlB1 VAL 330 HB 0.05 0.17 0.16 -0.04 2.12 2.46 2dvlB1 VAL 330 HG13 0.16 -0.01 -0.05 -0.04 0.97 1.03 2dvlB1 VAL 330 HG23 0.07 0.04 0.03 -0.04 0.95 1.05 2dvlB1 LEU 331 H -0.06 0.45 -0.24 -0.55 8.37 7.97 2dvlB1 LEU 331 HA -0.45 0.09 0.57 -0.75 4.35 3.80 2dvlB1 LEU 331 HB2 -0.19 0.16 0.11 -0.04 1.64 1.69 2dvlB1 LEU 331 HB3 -0.39 -0.21 -0.02 -0.04 1.64 0.97 2dvlB1 LEU 331 HG -1.64 -0.04 0.01 -0.04 1.64 -0.08 2dvlB1 LEU 331 HD13 -0.12 0.05 -0.10 -0.04 0.93 0.72 2dvlB1 LEU 331 HD23 -0.06 -0.01 -0.04 -0.04 0.89 0.74 2dvlB1 GLY 332 H 0.01 0.53 -0.53 -0.55 8.43 7.89 2dvlB1 GLY 332 HA2 0.00 0.10 0.30 -0.51 4.01 3.91 2dvlB1 GLY 332 HA3 0.06 -0.05 0.41 -0.51 4.01 3.92 2dvlB1 GLY 333 H -0.06 0.13 0.20 -0.55 8.43 8.15 2dvlB1 GLY 333 HA2 -0.13 0.06 0.37 -0.51 4.01 3.80 2dvlB1 GLY 333 HA3 -0.26 0.03 0.37 -0.51 4.01 3.64 2dvlB1 TYR 334 H -0.20 0.27 -0.10 -0.55 8.29 7.71 2dvlB1 TYR 334 HA -0.31 -0.03 0.39 -0.75 4.56 3.86 2dvlB1 TYR 334 HB2 -0.67 0.21 0.10 -0.04 3.06 2.65 2dvlB1 TYR 334 HB3 -1.90 -0.04 0.11 -0.04 2.98 1.10 2dvlB1 TYR 334 HD2 -0.20 0.12 0.09 -0.04 7.15 7.12 2dvlB1 TYR 334 HE2 0.03 -0.00 0.04 -0.04 6.85 6.87 2dvlB1 GLY 335 H -0.10 0.58 -0.69 -0.55 8.43 7.67 2dvlB1 GLY 335 HA2 -0.04 -0.01 0.44 -0.51 4.01 3.88 2dvlB1 GLY 335 HA3 -0.04 0.24 0.30 -0.51 4.01 4.00 2dvlB1 TYR 336 H 0.05 0.56 -0.42 -0.55 8.29 7.93 2dvlB1 TYR 336 HA -0.05 0.09 0.65 -0.75 4.56 4.49 2dvlB1 TYR 336 HB2 -0.09 0.00 0.03 -0.04 3.06 2.96 2dvlB1 TYR 336 HB3 -0.09 0.03 0.03 -0.04 2.98 2.92 2dvlB1 TYR 336 HD2 -0.09 0.01 -0.03 -0.04 7.15 7.00 2dvlB1 TYR 336 HE2 -0.05 -0.01 -0.00 -0.04 6.85 6.75 2dvlB1 HIS 337 H 0.07 0.36 -0.32 -0.55 8.41 7.98 2dvlB1 HIS 337 HA -0.01 0.10 0.68 -0.75 4.63 4.64 2dvlB1 HIS 337 HB2 -0.06 0.03 0.10 -0.04 3.26 3.28 2dvlB1 HIS 337 HB3 0.11 0.07 0.15 -0.04 3.20 3.49 2dvlB1 HIS 337 HD2 0.03 0.03 0.01 -0.04 6.97 6.99 2dvlB1 HIS 337 HE1 0.08 0.06 0.04 -0.04 7.75 7.88 2dvlB1 ARG 338 H -0.18 0.20 0.19 -0.55 8.46 8.11 2dvlB1 ARG 338 HA 0.05 0.04 0.35 -0.75 4.34 4.03 2dvlB1 ARG 338 HB2 -0.06 0.06 0.16 -0.04 1.90 2.02 2dvlB1 ARG 338 HB3 0.05 -0.01 0.10 -0.04 1.80 1.90 2dvlB1 ARG 338 HG2 0.03 -0.00 -0.04 -0.04 1.67 1.62 2dvlB1 ARG 338 HG3 0.00 -0.00 0.07 -0.04 1.67 1.70 2dvlB1 ARG 338 HD2 0.00 0.03 0.02 -0.04 3.22 3.23 2dvlB1 ARG 338 HD3 -0.02 0.02 0.03 -0.04 3.22 3.21 2dvlB1 ASP 339 H 0.90 0.06 -0.22 -0.55 8.40 8.59 2dvlB1 ASP 339 HA 0.08 0.11 0.42 -0.75 4.63 4.48 2dvlB1 ASP 339 HB2 -0.05 -0.01 0.02 -0.04 2.71 2.62 2dvlB1 ASP 339 HB3 -0.11 0.05 0.10 -0.04 2.70 2.70 2dvlB1 TYR 340 H 0.42 0.46 -0.44 -0.55 8.29 8.17 2dvlB1 TYR 340 HA 0.05 0.25 0.97 -0.75 4.56 5.07 2dvlB1 TYR 340 HB2 0.07 0.25 0.13 -0.04 3.06 3.46 2dvlB1 TYR 340 HB3 0.02 -0.08 0.17 -0.04 2.98 3.05 2dvlB1 TYR 340 HD2 -0.02 -0.07 -0.05 -0.04 7.15 6.96 2dvlB1 TYR 340 HE2 -0.08 -0.03 -0.00 -0.04 6.85 6.70 2dvlB1 ARG 341 H 0.12 0.41 -0.13 -0.55 8.46 8.30 2dvlB1 ARG 341 HA 0.03 0.00 0.42 -0.75 4.34 4.04 2dvlB1 ARG 341 HB2 0.24 0.18 -0.08 -0.04 1.90 2.20 2dvlB1 ARG 341 HB3 0.15 -0.03 0.04 -0.04 1.80 1.92 2dvlB1 ARG 341 HG2 -0.04 -0.00 0.01 -0.04 1.67 1.60 2dvlB1 ARG 341 HG3 0.03 0.05 -0.27 -0.04 1.67 1.43 2dvlB1 ARG 341 HD2 0.10 0.03 -0.02 -0.04 3.22 3.28 2dvlB1 ARG 341 HD3 -0.17 -0.01 0.03 -0.04 3.22 3.03 2dvlB1 VAL 342 H 0.20 0.62 -0.14 -0.55 8.24 8.37 2dvlB1 VAL 342 HA 0.42 0.04 0.46 -0.75 4.13 4.30 2dvlB1 VAL 342 HB 0.13 -0.05 -0.04 -0.04 2.12 2.12 2dvlB1 VAL 342 HG13 0.11 0.03 0.09 -0.04 0.97 1.16 2dvlB1 VAL 342 HG23 0.08 0.10 0.02 -0.04 0.95 1.12 2dvlB1 GLU 343 H 0.10 0.15 -0.39 -0.55 8.60 7.92 2dvlB1 GLU 343 HA 0.07 0.08 0.43 -0.75 4.29 4.12 2dvlB1 GLU 343 HB2 -0.10 -0.02 0.00 -0.04 2.09 1.93 2dvlB1 GLU 343 HB3 -0.03 0.31 -0.03 -0.04 1.99 2.20 2dvlB1 GLU 343 HG2 -0.06 0.02 -0.52 -0.04 2.34 1.75 2dvlB1 GLU 343 HG3 0.03 -0.11 -0.18 -0.04 2.34 2.03 2dvlB1 ARG 344 H 0.00 0.25 -0.29 -0.55 8.46 7.87 2dvlB1 ARG 344 HA -0.06 0.06 0.49 -0.75 4.34 4.08 2dvlB1 ARG 344 HB2 -0.09 -0.01 0.12 -0.04 1.90 1.88 2dvlB1 ARG 344 HB3 -0.26 0.24 0.18 -0.04 1.80 1.92 2dvlB1 ARG 344 HG2 -0.16 -0.11 0.09 -0.04 1.67 1.45 2dvlB1 ARG 344 HG3 -0.15 0.01 0.03 -0.04 1.67 1.53 2dvlB1 ARG 344 HD2 -0.48 0.11 -0.04 -0.04 3.22 2.76 2dvlB1 ARG 344 HD3 -0.61 0.06 -0.42 -0.04 3.22 2.21 2dvlB1 TYR 345 H 0.04 0.42 -0.15 -0.55 8.29 8.05 2dvlB1 TYR 345 HA 0.04 0.00 0.47 -0.75 4.56 4.31 2dvlB1 TYR 345 HB2 0.09 0.12 0.21 -0.04 3.06 3.44 2dvlB1 TYR 345 HB3 0.07 0.02 0.07 -0.04 2.98 3.10 2dvlB1 TYR 345 HD2 0.06 -0.06 -0.05 -0.04 7.15 7.05 2dvlB1 TYR 345 HE2 0.09 0.07 -0.10 -0.04 6.85 6.87 2dvlB1 TYR 346 H 0.27 0.51 -0.15 -0.55 8.29 8.38 2dvlB1 TYR 346 HA 0.07 -0.00 0.38 -0.75 4.56 4.25 2dvlB1 TYR 346 HB2 0.07 0.11 0.09 -0.04 3.06 3.29 2dvlB1 TYR 346 HB3 0.04 0.14 0.13 -0.04 2.98 3.25 2dvlB1 TYR 346 HD2 0.04 -0.02 -0.24 -0.04 7.15 6.90 2dvlB1 TYR 346 HE2 0.04 -0.01 -0.02 -0.04 6.85 6.82 2dvlB1 ARG 347 H 0.10 0.44 -0.23 -0.55 8.46 8.22 2dvlB1 ARG 347 HA -0.07 0.02 0.38 -0.75 4.34 3.91 2dvlB1 ARG 347 HB2 -0.05 0.07 0.15 -0.04 1.90 2.03 2dvlB1 ARG 347 HB3 -0.07 -0.01 -0.15 -0.04 1.80 1.53 2dvlB1 ARG 347 HG2 0.06 -0.08 0.02 -0.04 1.67 1.63 2dvlB1 ARG 347 HG3 0.09 0.20 0.11 -0.04 1.67 2.03 2dvlB1 ARG 347 HD2 -0.00 0.26 0.10 -0.04 3.22 3.54 2dvlB1 ARG 347 HD3 0.02 -0.06 0.02 -0.04 3.22 3.16 2dvlB1 ASP 348 H -0.03 0.49 -0.17 -0.55 8.40 8.15 2dvlB1 ASP 348 HA -0.06 -0.07 0.45 -0.75 4.63 4.21 2dvlB1 ASP 348 HB2 0.01 0.16 0.17 -0.04 2.71 3.01 2dvlB1 ASP 348 HB3 0.00 -0.04 0.00 -0.04 2.70 2.62 2dvlB1 ALA 349 H -0.00 0.69 -0.14 -0.55 8.40 8.40 2dvlB1 ALA 349 HA 0.00 -0.02 0.32 -0.75 4.34 3.89 2dvlB1 ALA 349 HB3 -0.03 0.03 -0.10 -0.04 1.41 1.27 2dvlB1 LYS 350 H -0.16 0.39 -0.20 -0.55 8.42 7.91 2dvlB1 LYS 350 HA -0.11 0.01 0.32 -0.75 4.32 3.79 2dvlB1 LYS 350 HB2 -0.22 0.06 0.11 -0.04 1.87 1.78 2dvlB1 LYS 350 HB3 -0.12 0.11 0.06 -0.04 1.79 1.80 2dvlB1 LYS 350 HG2 -0.09 0.00 -0.02 -0.04 1.46 1.32 2dvlB1 LYS 350 HG3 -0.07 -0.04 -0.25 -0.04 1.46 1.05 2dvlB1 LYS 350 HD2 -0.09 -0.01 0.13 -0.04 1.69 1.68 2dvlB1 LYS 350 HD3 -0.09 0.02 0.02 -0.04 1.68 1.59 2dvlB1 LYS 350 HE2 -0.05 0.01 -0.02 -0.04 2.99 2.89 2dvlB1 LYS 350 HE3 -0.06 -0.05 -0.04 -0.04 2.99 2.80 2dvlB1 VAL 351 H -0.04 0.36 -0.33 -0.55 8.24 7.67 2dvlB1 VAL 351 HA -0.03 0.01 0.40 -0.75 4.13 3.75 2dvlB1 VAL 351 HB -0.03 0.00 0.08 -0.04 2.12 2.13 2dvlB1 VAL 351 HG13 0.09 0.15 -0.06 -0.04 0.97 1.11 2dvlB1 VAL 351 HG23 0.01 -0.03 0.05 -0.04 0.95 0.94 2dvlB1 THR 352 H -0.00 0.63 -0.21 -0.55 8.28 8.15 2dvlB1 THR 352 HA -0.17 0.02 0.38 -0.75 4.39 3.87 2dvlB1 THR 352 HB -0.12 -0.01 0.10 -0.04 4.32 4.26 2dvlB1 THR 352 HG23 0.04 0.01 0.03 -0.04 1.22 1.26 2dvlB1 GLU 353 H -0.07 0.42 -0.40 -0.55 8.60 8.00 2dvlB1 GLU 353 HA -0.09 0.13 0.56 -0.75 4.29 4.13 2dvlB1 GLU 353 HB2 -0.07 0.17 0.08 -0.04 2.09 2.23 2dvlB1 GLU 353 HB3 -0.06 -0.16 0.14 -0.04 1.99 1.86 2dvlB1 GLU 353 HG2 -0.08 -0.04 -0.17 -0.04 2.34 2.01 2dvlB1 GLU 353 HG3 -0.07 0.11 -0.06 -0.04 2.34 2.28 2dvlB1 ILE 354 H -0.07 0.48 -0.38 -0.55 8.25 7.73 2dvlB1 ILE 354 HA -0.07 0.02 1.01 -0.75 4.18 4.39 2dvlB1 ILE 354 HB -0.06 0.10 0.19 -0.04 1.89 2.08 2dvlB1 ILE 354 HG12 -0.07 -0.05 -0.09 -0.04 1.49 1.24 2dvlB1 ILE 354 HG13 -0.07 0.02 -0.18 -0.04 1.21 0.94 2dvlB1 ILE 354 HG23 -0.15 -0.04 -0.13 -0.04 0.93 0.58 2dvlB1 ILE 354 HD13 -0.09 -0.01 -0.04 -0.04 0.88 0.70 2dvlB1 TYR 355 H 0.09 0.39 0.13 -0.55 8.29 8.35 2dvlB1 TYR 355 HA -0.09 -0.02 0.51 -0.75 4.56 4.21 2dvlB1 TYR 355 HB2 -0.06 -0.05 0.11 -0.04 3.06 3.02 2dvlB1 TYR 355 HB3 -0.13 0.01 0.09 -0.04 2.98 2.91 2dvlB1 TYR 355 HD2 -0.04 0.02 -0.10 -0.04 7.15 6.99 2dvlB1 TYR 355 HE2 -0.01 -0.01 -0.12 -0.04 6.85 6.68 2dvlB1 GLU 356 H 0.14 0.07 0.13 -0.55 8.60 8.39 2dvlB1 GLU 356 HA 0.03 -0.05 0.28 -0.75 4.29 3.80 2dvlB1 GLU 356 HB2 -0.21 -0.07 -0.32 -0.04 2.09 1.44 2dvlB1 GLU 356 HB3 -0.28 0.27 0.15 -0.04 1.99 2.08 2dvlB1 GLU 356 HG2 -0.05 0.06 -0.17 -0.04 2.34 2.14 2dvlB1 GLU 356 HG3 -0.04 -0.01 0.04 -0.04 2.34 2.29 2dvlB1 GLY 357 H -0.02 -0.03 -0.29 -0.55 8.43 7.54 2dvlB1 GLY 357 HA2 -0.02 -0.15 0.33 -0.51 4.01 3.65 2dvlB1 GLY 357 HA3 -0.04 0.17 0.71 -0.51 4.01 4.33 2dvlB1 THR 358 H -0.03 -0.06 0.13 -0.55 8.28 7.77 2dvlB1 THR 358 HA -0.06 0.39 0.37 -0.75 4.39 4.33 2dvlB1 THR 358 HB -0.04 -0.00 0.25 -0.04 4.32 4.49 2dvlB1 THR 358 HG23 -0.04 0.00 0.18 -0.04 1.22 1.32 2dvlB1 SER 359 H -0.05 0.51 0.31 -0.55 8.46 8.69 2dvlB1 SER 359 HA -0.04 0.12 0.44 -0.75 4.49 4.26 2dvlB1 SER 359 HB2 -0.03 -0.05 0.16 -0.04 3.95 3.98 2dvlB1 SER 359 HB3 -0.03 -0.00 0.08 -0.04 3.93 3.94 2dvlB1 GLU 360 H -0.02 0.10 -0.15 -0.55 8.60 7.98 2dvlB1 GLU 360 HA -0.01 0.12 0.42 -0.75 4.29 4.06 2dvlB1 GLU 360 HB2 -0.01 -0.07 0.09 -0.04 2.09 2.05 2dvlB1 GLU 360 HB3 -0.01 0.04 -0.02 -0.04 1.99 1.97 2dvlB1 GLU 360 HG2 -0.01 0.04 0.03 -0.04 2.34 2.36 2dvlB1 GLU 360 HG3 -0.01 0.05 0.03 -0.04 2.34 2.37 2dvlB1 ILE 361 H -0.02 0.07 -0.23 -0.55 8.25 7.52 2dvlB1 ILE 361 HA -0.01 0.04 0.43 -0.75 4.18 3.88 2dvlB1 ILE 361 HB -0.02 -0.01 0.10 -0.04 1.89 1.92 2dvlB1 ILE 361 HG12 -0.01 0.01 0.09 -0.04 1.49 1.54 2dvlB1 ILE 361 HG13 -0.01 0.04 0.06 -0.04 1.21 1.26 2dvlB1 ILE 361 HG23 -0.02 0.02 -0.15 -0.04 0.93 0.75 2dvlB1 ILE 361 HD13 -0.01 -0.02 -0.01 -0.04 0.88 0.80 2dvlB1 GLN 362 H -0.02 0.68 -0.24 -0.55 8.47 8.33 2dvlB1 GLN 362 HA -0.02 -0.01 0.38 -0.75 4.36 3.95 2dvlB1 GLN 362 HB2 -0.02 0.09 0.10 -0.04 2.15 2.29 2dvlB1 GLN 362 HB3 -0.01 -0.04 0.07 -0.04 2.02 2.00 2dvlB1 GLN 362 HG2 -0.04 0.40 -0.21 -0.04 2.40 2.51 2dvlB1 GLN 362 HG3 -0.04 -0.02 -0.09 -0.04 2.39 2.20 2dvlB1 GLN 362 HE21 -0.05 0.07 0.16 -0.04 6.97 7.11 2dvlB1 GLN 362 HE22 -0.07 0.73 0.01 -0.04 7.69 8.32 2dvlB1 ARG 363 H -0.01 0.45 -0.36 -0.55 8.46 8.00 2dvlB1 ARG 363 HA 0.00 0.01 0.46 -0.75 4.34 4.06 2dvlB1 ARG 363 HB2 0.00 0.16 0.20 -0.04 1.90 2.22 2dvlB1 ARG 363 HB3 0.01 -0.06 0.03 -0.04 1.80 1.74 2dvlB1 ARG 363 HG2 0.01 -0.05 0.01 -0.04 1.67 1.59 2dvlB1 ARG 363 HG3 -0.00 0.29 0.08 -0.04 1.67 2.00 2dvlB1 ARG 363 HD2 0.00 -0.03 -0.02 -0.04 3.22 3.13 2dvlB1 ARG 363 HD3 0.01 -0.02 -0.00 -0.04 3.22 3.16 2dvlB1 LEU 364 H 0.00 0.42 -0.08 -0.55 8.37 8.16 2dvlB1 LEU 364 HA 0.02 0.02 0.40 -0.75 4.35 4.03 2dvlB1 LEU 364 HB2 -0.00 0.10 0.19 -0.04 1.64 1.88 2dvlB1 LEU 364 HB3 0.00 -0.03 -0.01 -0.04 1.64 1.57 2dvlB1 LEU 364 HG 0.00 0.09 0.03 -0.04 1.64 1.72 2dvlB1 LEU 364 HD13 -0.00 -0.02 -0.03 -0.04 0.93 0.84 2dvlB1 LEU 364 HD23 0.01 -0.00 0.00 -0.04 0.89 0.85 2dvlB1 VAL 365 H -0.00 0.59 -0.16 -0.55 8.24 8.12 2dvlB1 VAL 365 HA -0.00 0.00 0.38 -0.75 4.13 3.76 2dvlB1 VAL 365 HB -0.01 0.13 0.16 -0.04 2.12 2.35 2dvlB1 VAL 365 HG13 -0.03 -0.02 -0.15 -0.04 0.97 0.74 2dvlB1 VAL 365 HG23 -0.02 0.03 0.02 -0.04 0.95 0.94 2dvlB1 ILE 366 H -0.00 0.63 -0.10 -0.55 8.25 8.22 2dvlB1 ILE 366 HA -0.01 -0.05 0.40 -0.75 4.18 3.77 2dvlB1 ILE 366 HB 0.00 0.10 0.19 -0.04 1.89 2.15 2dvlB1 ILE 366 HG12 -0.00 -0.05 0.04 -0.04 1.49 1.44 2dvlB1 ILE 366 HG13 -0.00 0.12 0.09 -0.04 1.21 1.38 2dvlB1 ILE 366 HG23 -0.01 -0.02 -0.13 -0.04 0.93 0.74 2dvlB1 ILE 366 HD13 0.01 -0.01 -0.22 -0.04 0.88 0.61 2dvlB1 ALA 367 H 0.02 0.69 -0.06 -0.55 8.40 8.50 2dvlB1 ALA 367 HA 0.03 -0.01 0.38 -0.75 4.34 3.99 2dvlB1 ALA 367 HB3 0.09 0.01 0.08 -0.04 1.41 1.55 2dvlB1 ARG 368 H 0.04 0.61 -0.20 -0.55 8.46 8.35 2dvlB1 ARG 368 HA 0.08 0.00 0.32 -0.75 4.34 3.99 2dvlB1 ARG 368 HB2 0.02 0.06 0.12 -0.04 1.90 2.06 2dvlB1 ARG 368 HB3 0.01 0.09 0.17 -0.04 1.80 2.04 2dvlB1 ARG 368 HG2 0.02 -0.02 -0.19 -0.04 1.67 1.44 2dvlB1 ARG 368 HG3 0.02 -0.02 -0.00 -0.04 1.67 1.63 2dvlB1 ARG 368 HD2 0.00 -0.03 -0.04 -0.04 3.22 3.11 2dvlB1 ARG 368 HD3 0.01 -0.02 -0.03 -0.04 3.22 3.13 2dvlB1 GLU 369 H 0.01 0.63 -0.13 -0.55 8.60 8.56 2dvlB1 GLU 369 HA 0.00 -0.03 0.39 -0.75 4.29 3.90 2dvlB1 GLU 369 HB2 -0.02 0.16 0.18 -0.04 2.09 2.37 2dvlB1 GLU 369 HB3 -0.02 -0.10 0.01 -0.04 1.99 1.84 2dvlB1 GLU 369 HG2 -0.01 0.25 0.02 -0.04 2.34 2.56 2dvlB1 GLU 369 HG3 -0.02 -0.20 -0.12 -0.04 2.34 1.96 2dvlB1 LEU 370 H -0.04 0.60 -0.10 -0.55 8.37 8.28 2dvlB1 LEU 370 HA -0.11 -0.04 0.39 -0.75 4.35 3.84 2dvlB1 LEU 370 HB2 -0.24 0.13 0.14 -0.04 1.64 1.63 2dvlB1 LEU 370 HB3 -0.38 -0.06 0.03 -0.04 1.64 1.20 2dvlB1 LEU 370 HG -0.07 0.18 0.01 -0.04 1.64 1.72 2dvlB1 LEU 370 HD13 -0.10 -0.03 -0.06 -0.04 0.93 0.70 2dvlB1 LEU 370 HD23 -0.09 -0.03 0.00 -0.04 0.89 0.73 2dvlB1 TYR 371 H 0.06 0.44 -0.36 -0.55 8.29 7.88 2dvlB1 TYR 371 HA -0.00 0.15 0.82 -0.75 4.56 4.77 2dvlB1 TYR 371 HB2 -0.00 0.08 0.09 -0.04 3.06 3.19 2dvlB1 TYR 371 HB3 -0.00 -0.07 0.20 -0.04 2.98 3.07 2dvlB1 TYR 371 HD2 -0.00 0.07 0.00 -0.04 7.15 7.18 2dvlB1 TYR 371 HE2 -0.00 -0.04 -0.02 -0.04 6.85 6.75 2dvlB1 ARG 372 H 0.02 0.34 -0.46 -0.55 8.46 7.81 2dvlB1 ARG 372 HA 0.05 0.08 0.26 -0.75 4.34 3.97 2dvlB1 ARG 372 HB2 0.01 0.30 0.18 -0.04 1.90 2.35 2dvlB1 ARG 372 HB3 0.01 -0.06 0.09 -0.04 1.80 1.80 2dvlB1 ARG 372 HG2 0.01 -0.05 0.04 -0.04 1.67 1.64 2dvlB1 ARG 372 HG3 0.02 0.03 -0.00 -0.04 1.67 1.68 2dvlB1 ARG 372 HD2 0.00 -0.01 0.04 -0.04 3.22 3.22 2dvlB1 ARG 372 HD3 0.00 -0.03 0.04 -0.04 3.22 3.19