============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 5 1.000 161.018 -8.052 39.505 -99.200 -91.000 TRP 34 1.040 166.101 1.899 49.788 -99.200 -91.000 TRP6 34 1.020 167.974 2.713 48.617 -99.200 -91.000 PHE 36 1.000 163.826 1.392 43.192 -99.200 -91.000 HIS 44 0.900 145.742 -4.401 50.366 -99.200 -91.000 HIS 48 0.900 149.392 -12.547 50.409 -99.200 -91.000 PHE 60 1.000 164.526 5.866 45.440 -99.200 -91.000 HIS 63 0.900 154.264 6.705 34.692 -99.200 -91.000 HIS 68 0.900 153.663 2.902 37.300 -99.200 -91.000 TYR 70 0.840 145.122 6.156 41.890 -99.200 -91.000 PHE 81 1.000 146.256 0.602 62.600 -99.200 -91.000 TYR 91 0.840 164.475 9.923 47.546 -99.200 -91.000 PHE 99 1.000 148.088 9.983 45.652 -99.200 -91.000 HIS 110 0.900 146.775 13.818 63.171 -99.200 -91.000 TYR 113 0.840 156.246 7.106 58.771 -99.200 -91.000 PHE 126 1.000 170.377 8.388 49.758 -99.200 -91.000 PHE 131 1.000 173.134 0.882 48.105 -99.200 -91.000 HIS 140 0.900 154.550 6.408 29.867 -99.200 -91.000 PHE 145 1.000 161.840 12.537 36.522 -99.200 -91.000 TYR 147 0.840 163.535 6.959 40.398 -99.200 -91.000 TYR 174 0.840 193.547 -7.122 63.389 -99.200 -91.000 PHE 196 1.000 200.136 -4.654 56.684 -99.200 -91.000 PHE 208 1.000 164.538 -0.497 40.421 -99.200 -91.000 HIS 230 0.900 162.662 -1.595 29.039 -99.200 -91.000 PHE 234 1.000 151.344 -2.356 24.207 -99.200 -91.000 TYR 243 0.840 155.523 6.921 18.226 -99.200 -91.000 TYR 245 0.840 147.511 3.087 24.155 -99.200 -91.000 TYR 246 0.840 154.189 9.351 24.658 -99.200 -91.000 HIS 247 0.900 153.112 1.798 28.493 -99.200 -91.000 HIS 269 0.900 153.379 -1.374 32.946 -99.200 -91.000 TYR 274 0.840 151.076 -9.674 25.101 -99.200 -91.000 PHE 290 1.000 170.933 -8.852 27.710 -99.200 -91.000 TYR 297 0.840 157.562 -15.581 38.542 -99.200 -91.000 PHE 299 1.000 153.259 -12.478 45.925 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fk6A1 MET 1 HA -0.05 0.38 0.42 -0.75 4.52 4.52 2fk6A1 MET 1 HB2 0.01 -0.05 0.07 -0.04 2.15 2.14 2fk6A1 MET 1 HB3 0.00 0.12 0.17 -0.04 2.03 2.28 2fk6A1 MET 1 HG2 -0.03 -0.06 -0.33 -0.04 2.63 2.17 2fk6A1 MET 1 HG3 -0.05 -0.00 -0.10 -0.04 2.56 2.36 2fk6A1 MET 1 HE3 0.20 -0.00 -0.07 -0.04 2.10 2.18 2fk6A1 GLU 2 H -0.04 0.30 0.29 -0.55 8.60 8.60 2fk6A1 GLU 2 HA -0.02 0.19 1.05 -0.75 4.29 4.75 2fk6A1 GLU 2 HB2 -0.01 -0.08 -0.12 -0.04 2.09 1.83 2fk6A1 GLU 2 HB3 -0.00 0.01 -0.22 -0.04 1.99 1.73 2fk6A1 GLU 2 HG2 0.00 -0.01 -0.15 -0.04 2.34 2.14 2fk6A1 GLU 2 HG3 -0.01 0.16 -0.39 -0.04 2.34 2.06 2fk6A1 LEU 3 H -0.04 0.85 0.27 -0.55 8.37 8.91 2fk6A1 LEU 3 HA -0.15 0.24 0.88 -0.75 4.35 4.56 2fk6A1 LEU 3 HB2 -0.05 0.16 0.23 -0.04 1.64 1.93 2fk6A1 LEU 3 HB3 -0.41 -0.08 -0.02 -0.04 1.64 1.09 2fk6A1 LEU 3 HG -0.13 0.02 -0.10 -0.04 1.64 1.38 2fk6A1 LEU 3 HD13 -0.16 -0.00 -0.08 -0.04 0.93 0.65 2fk6A1 LEU 3 HD23 -0.29 0.01 -0.11 -0.04 0.89 0.46 2fk6A1 LEU 4 H -0.16 0.68 0.27 -0.55 8.37 8.62 2fk6A1 LEU 4 HA 0.02 0.28 1.00 -0.75 4.35 4.90 2fk6A1 LEU 4 HB2 0.01 -0.02 -0.13 -0.04 1.64 1.46 2fk6A1 LEU 4 HB3 -0.01 -0.06 0.15 -0.04 1.64 1.68 2fk6A1 LEU 4 HG 0.11 0.09 -0.16 -0.04 1.64 1.63 2fk6A1 LEU 4 HD13 0.08 -0.01 -0.07 -0.04 0.93 0.89 2fk6A1 LEU 4 HD23 0.09 0.02 -0.51 -0.04 0.89 0.45 2fk6A1 PHE 5 H 0.25 0.69 0.19 -0.55 8.34 8.92 2fk6A1 PHE 5 HA -0.02 -0.04 0.61 -0.75 4.62 4.42 2fk6A1 PHE 5 HB2 -0.13 0.08 0.18 -0.04 3.15 3.24 2fk6A1 PHE 5 HB3 -0.08 -0.09 -0.12 -0.04 3.06 2.73 2fk6A1 PHE 5 HD2 -0.07 0.16 -0.04 -0.04 7.28 7.28 2fk6A1 PHE 5 HE2 -0.07 0.03 -0.11 -0.04 7.38 7.19 2fk6A1 PHE 5 HZ -0.10 0.03 -0.09 -0.04 7.32 7.11 2fk6A1 LEU 6 H 0.00 0.55 0.46 -0.55 8.37 8.84 2fk6A1 LEU 6 HA -0.25 0.14 0.88 -0.75 4.35 4.37 2fk6A1 LEU 6 HB2 -0.02 0.14 0.06 -0.04 1.64 1.77 2fk6A1 LEU 6 HB3 -0.05 -0.04 0.05 -0.04 1.64 1.56 2fk6A1 LEU 6 HG -0.01 0.09 -0.07 -0.04 1.64 1.62 2fk6A1 LEU 6 HD13 0.02 -0.01 -0.13 -0.04 0.93 0.77 2fk6A1 LEU 6 HD23 0.05 -0.00 -0.18 -0.04 0.89 0.72 2fk6A1 GLY 7 H 0.02 0.21 -0.08 -0.55 8.43 8.04 2fk6A1 GLY 7 HA2 -0.06 -0.08 0.44 -0.51 4.01 3.79 2fk6A1 GLY 7 HA3 -0.02 0.29 -0.04 -0.51 4.01 3.74 2fk6A1 THR 8 H -0.01 0.11 0.05 -0.55 8.28 7.88 2fk6A1 THR 8 HA 0.05 0.16 0.86 -0.75 4.39 4.70 2fk6A1 THR 8 HB -0.03 0.01 0.04 -0.04 4.32 4.29 2fk6A1 THR 8 HG23 -0.06 -0.00 -0.35 -0.04 1.22 0.76 2fk6A1 GLY 9 H -0.03 0.54 -0.18 -0.55 8.43 8.22 2fk6A1 GLY 9 HA2 -0.09 0.14 0.21 -0.51 4.01 3.76 2fk6A1 GLY 9 HA3 -0.07 0.07 -0.04 -0.51 4.01 3.46 2fk6A1 ALA 10 H -0.15 0.32 0.04 -0.55 8.40 8.06 2fk6A1 ALA 10 HA -0.67 0.01 0.43 -0.75 4.34 3.36 2fk6A1 ALA 10 HB3 -0.49 0.04 -0.26 -0.04 1.41 0.66 2fk6A1 GLY 11 H 0.01 0.15 0.05 -0.55 8.43 8.10 2fk6A1 GLY 11 HA2 0.04 0.00 0.41 -0.51 4.01 3.96 2fk6A1 GLY 11 HA3 -0.01 0.09 0.34 -0.51 4.01 3.91 2fk6A1 ILE 12 H -0.03 0.66 0.40 -0.55 8.25 8.73 2fk6A1 ILE 12 HA 0.02 0.11 0.68 -0.75 4.18 4.23 2fk6A1 ILE 12 HB 0.01 0.08 0.10 -0.04 1.89 2.04 2fk6A1 ILE 12 HG12 -0.01 0.07 -0.06 -0.04 1.49 1.45 2fk6A1 ILE 12 HG13 0.00 0.00 -0.01 -0.04 1.21 1.16 2fk6A1 ILE 12 HG23 0.03 -0.02 -0.10 -0.04 0.93 0.79 2fk6A1 ILE 12 HD13 -0.01 -0.02 0.02 -0.04 0.88 0.83 2fk6A1 PRO 13 HA -0.00 0.08 0.54 -0.51 4.44 4.55 2fk6A1 PRO 13 HB2 0.00 0.08 -0.04 -0.04 2.28 2.29 2fk6A1 PRO 13 HB3 0.01 -0.05 0.12 -0.04 2.02 2.06 2fk6A1 PRO 13 HG2 0.01 0.05 0.06 -0.04 2.03 2.11 2fk6A1 PRO 13 HG3 0.01 0.04 0.05 -0.04 2.03 2.09 2fk6A1 PRO 13 HD2 0.02 0.11 0.23 -0.04 3.68 4.01 2fk6A1 PRO 13 HD3 0.03 0.07 0.15 -0.04 3.65 3.86 2fk6A1 ALA 14 H -0.00 0.71 0.36 -0.55 8.40 8.92 2fk6A1 ALA 14 HA 0.00 0.13 0.73 -0.75 4.34 4.44 2fk6A1 ALA 14 HB3 -0.01 -0.01 0.10 -0.04 1.41 1.46 2fk6A1 LYS 15 H 0.01 0.18 0.12 -0.55 8.42 8.18 2fk6A1 LYS 15 HA 0.02 0.10 0.30 -0.75 4.32 3.99 2fk6A1 LYS 15 HB2 0.01 -0.04 0.09 -0.04 1.87 1.88 2fk6A1 LYS 15 HB3 0.02 0.07 0.05 -0.04 1.79 1.88 2fk6A1 LYS 15 HG2 0.02 0.05 0.04 -0.04 1.46 1.52 2fk6A1 LYS 15 HG3 0.01 -0.05 0.08 -0.04 1.46 1.46 2fk6A1 LYS 15 HD2 0.01 0.03 0.01 -0.04 1.69 1.71 2fk6A1 LYS 15 HD3 0.01 0.02 0.01 -0.04 1.68 1.68 2fk6A1 LYS 15 HE2 0.01 -0.02 0.04 -0.04 2.99 2.97 2fk6A1 LYS 15 HE3 0.01 -0.02 0.02 -0.04 2.99 2.96 2fk6A1 ALA 16 H 0.01 -0.07 -0.47 -0.55 8.40 7.32 2fk6A1 ALA 16 HA 0.02 0.15 0.54 -0.75 4.34 4.30 2fk6A1 ALA 16 HB3 0.01 -0.02 0.02 -0.04 1.41 1.38 2fk6A1 ARG 17 H 0.01 0.15 -0.05 -0.55 8.46 8.01 2fk6A1 ARG 17 HA 0.01 0.12 0.84 -0.75 4.34 4.56 2fk6A1 ARG 17 HB2 -0.02 -0.02 -0.03 -0.04 1.90 1.80 2fk6A1 ARG 17 HB3 -0.02 -0.13 -0.10 -0.04 1.80 1.52 2fk6A1 ARG 17 HG2 0.02 -0.00 -0.14 -0.04 1.67 1.51 2fk6A1 ARG 17 HG3 0.01 -0.11 -0.65 -0.04 1.67 0.89 2fk6A1 ARG 17 HD2 -0.02 0.02 -0.23 -0.04 3.22 2.95 2fk6A1 ARG 17 HD3 -0.02 0.06 -0.37 -0.04 3.22 2.85 2fk6A1 ASN 18 H -0.02 0.10 0.17 -0.55 8.53 8.23 2fk6A1 ASN 18 HA -0.00 0.08 0.75 -0.75 4.76 4.83 2fk6A1 ASN 18 HB2 0.00 0.05 0.06 -0.04 2.88 2.96 2fk6A1 ASN 18 HB3 -0.03 0.09 0.12 -0.04 2.79 2.92 2fk6A1 ASN 18 HD21 0.02 0.25 -0.20 -0.04 7.03 7.06 2fk6A1 ASN 18 HD22 0.00 0.08 -0.22 -0.04 7.74 7.56 2fk6A1 VAL 19 H 0.01 0.15 0.03 -0.55 8.24 7.87 2fk6A1 VAL 19 HA -0.01 -0.05 0.21 -0.75 4.13 3.52 2fk6A1 VAL 19 HB 0.06 0.18 0.01 -0.04 2.12 2.33 2fk6A1 VAL 19 HG13 0.02 -0.01 -0.34 -0.04 0.97 0.60 2fk6A1 VAL 19 HG23 0.04 -0.01 -0.04 -0.04 0.95 0.90 2fk6A1 THR 20 H 0.04 0.05 -0.09 -0.55 8.28 7.74 2fk6A1 THR 20 HA 0.03 0.29 0.24 -0.75 4.39 4.20 2fk6A1 THR 20 HB -0.23 -0.04 -0.09 -0.04 4.32 3.92 2fk6A1 THR 20 HG23 0.08 -0.01 -0.01 -0.04 1.22 1.24 2fk6A1 SER 21 H 0.04 0.17 0.05 -0.55 8.46 8.18 2fk6A1 SER 21 HA 0.01 0.43 0.42 -0.75 4.49 4.59 2fk6A1 SER 21 HB2 0.01 0.09 0.21 -0.04 3.95 4.22 2fk6A1 SER 21 HB3 0.01 -0.10 -0.09 -0.04 3.93 3.71 2fk6A1 VAL 22 H 0.08 0.63 0.36 -0.55 8.24 8.76 2fk6A1 VAL 22 HA -0.09 0.02 1.02 -0.75 4.13 4.33 2fk6A1 VAL 22 HB 0.17 0.04 0.19 -0.04 2.12 2.47 2fk6A1 VAL 22 HG13 -0.25 0.00 -0.26 -0.04 0.97 0.42 2fk6A1 VAL 22 HG23 0.08 -0.03 -0.07 -0.04 0.95 0.89 2fk6A1 ALA 23 H -0.09 0.52 0.21 -0.55 8.40 8.48 2fk6A1 ALA 23 HA 0.11 0.25 1.06 -0.75 4.34 5.00 2fk6A1 ALA 23 HB3 0.02 0.02 0.00 -0.04 1.41 1.40 2fk6A1 LEU 24 H 0.21 0.93 0.36 -0.55 8.37 9.32 2fk6A1 LEU 24 HA -0.01 0.21 0.90 -0.75 4.35 4.70 2fk6A1 LEU 24 HB2 0.25 -0.03 -0.02 -0.04 1.64 1.79 2fk6A1 LEU 24 HB3 0.28 -0.04 0.19 -0.04 1.64 2.03 2fk6A1 LEU 24 HG -0.16 0.02 -0.26 -0.04 1.64 1.20 2fk6A1 LEU 24 HD13 -0.03 0.02 -0.16 -0.04 0.93 0.72 2fk6A1 LEU 24 HD23 0.06 -0.01 -0.10 -0.04 0.89 0.80 2fk6A1 LYS 25 H -0.05 0.92 0.31 -0.55 8.42 9.05 2fk6A1 LYS 25 HA -0.08 0.05 0.77 -0.75 4.32 4.30 2fk6A1 LYS 25 HB2 -0.04 -0.02 0.22 -0.04 1.87 1.99 2fk6A1 LYS 25 HB3 -0.04 -0.07 0.04 -0.04 1.79 1.67 2fk6A1 LYS 25 HG2 -0.01 -0.02 -0.09 -0.04 1.46 1.30 2fk6A1 LYS 25 HG3 -0.02 0.03 -0.14 -0.04 1.46 1.29 2fk6A1 LYS 25 HD2 0.01 -0.02 -0.10 -0.04 1.69 1.55 2fk6A1 LYS 25 HD3 -0.00 0.02 -0.12 -0.04 1.68 1.53 2fk6A1 LYS 25 HE2 -0.01 -0.02 -0.06 -0.04 2.99 2.86 2fk6A1 LYS 25 HE3 0.00 -0.00 -0.09 -0.04 2.99 2.86 2fk6A1 LEU 26 H -0.17 0.68 0.37 -0.55 8.37 8.70 2fk6A1 LEU 26 HA -0.12 0.22 0.77 -0.75 4.35 4.47 2fk6A1 LEU 26 HB2 -0.46 0.10 0.07 -0.04 1.64 1.31 2fk6A1 LEU 26 HB3 -0.27 -0.06 0.12 -0.04 1.64 1.39 2fk6A1 LEU 26 HG -0.54 0.03 -0.50 -0.04 1.64 0.59 2fk6A1 LEU 26 HD13 -1.91 -0.01 -0.14 -0.04 0.93 -1.17 2fk6A1 LEU 26 HD23 -0.24 0.05 -0.12 -0.04 0.89 0.54 2fk6A1 LEU 27 H -0.06 0.17 -0.04 -0.55 8.37 7.89 2fk6A1 LEU 27 HA -0.03 0.01 0.40 -0.75 4.35 3.97 2fk6A1 LEU 27 HB2 -0.02 -0.00 0.09 -0.04 1.64 1.66 2fk6A1 LEU 27 HB3 -0.01 0.09 -0.03 -0.04 1.64 1.65 2fk6A1 LEU 27 HG -0.03 -0.08 -0.04 -0.04 1.64 1.44 2fk6A1 LEU 27 HD13 -0.01 0.02 -0.06 -0.04 0.93 0.84 2fk6A1 LEU 27 HD23 -0.02 0.01 -0.20 -0.04 0.89 0.64 2fk6A1 GLU 28 H -0.02 0.17 -0.07 -0.55 8.60 8.14 2fk6A1 GLU 28 HA -0.00 0.15 0.52 -0.75 4.29 4.21 2fk6A1 GLU 28 HB2 -0.00 0.03 0.12 -0.04 2.09 2.20 2fk6A1 GLU 28 HB3 -0.00 -0.05 0.06 -0.04 1.99 1.96 2fk6A1 GLU 28 HG2 -0.01 -0.00 -0.22 -0.04 2.34 2.08 2fk6A1 GLU 28 HG3 -0.00 0.04 -0.12 -0.04 2.34 2.22 2fk6A1 GLU 29 H -0.02 -0.01 -0.89 -0.55 8.60 7.14 2fk6A1 GLU 29 HA 0.02 0.25 0.91 -0.75 4.29 4.72 2fk6A1 GLU 29 HB2 -0.01 -0.12 0.09 -0.04 2.09 2.01 2fk6A1 GLU 29 HB3 0.15 0.01 -0.04 -0.04 1.99 2.07 2fk6A1 GLU 29 HG2 0.09 0.02 -0.01 -0.04 2.34 2.40 2fk6A1 GLU 29 HG3 0.02 0.08 -0.06 -0.04 2.34 2.34 2fk6A1 ARG 30 H -0.02 0.62 0.26 -0.55 8.46 8.77 2fk6A1 ARG 30 HA 0.06 0.14 0.49 -0.75 4.34 4.27 2fk6A1 ARG 30 HB2 0.12 -0.03 0.17 -0.04 1.90 2.12 2fk6A1 ARG 30 HB3 0.15 0.10 -0.07 -0.04 1.80 1.93 2fk6A1 ARG 30 HG2 -0.12 -0.03 -0.14 -0.04 1.67 1.33 2fk6A1 ARG 30 HG3 -0.09 -0.01 -0.13 -0.04 1.67 1.40 2fk6A1 ARG 30 HD2 -0.09 -0.04 -0.13 -0.04 3.22 2.92 2fk6A1 ARG 30 HD3 0.19 0.02 -0.07 -0.04 3.22 3.32 2fk6A1 ARG 31 H -0.00 0.25 0.24 -0.55 8.46 8.40 2fk6A1 ARG 31 HA -0.00 0.19 0.56 -0.75 4.34 4.33 2fk6A1 ARG 31 HB2 0.02 0.21 -0.28 -0.04 1.90 1.81 2fk6A1 ARG 31 HB3 0.01 -0.04 0.31 -0.04 1.80 2.04 2fk6A1 ARG 31 HG2 0.01 0.02 0.08 -0.04 1.67 1.73 2fk6A1 ARG 31 HG3 0.02 -0.01 -0.10 -0.04 1.67 1.53 2fk6A1 ARG 31 HD2 0.02 0.01 0.00 -0.04 3.22 3.21 2fk6A1 ARG 31 HD3 0.01 -0.02 0.06 -0.04 3.22 3.23 2fk6A1 SER 32 H -0.06 0.20 -0.33 -0.55 8.46 7.72 2fk6A1 SER 32 HA -0.01 0.16 0.66 -0.75 4.49 4.54 2fk6A1 SER 32 HB2 0.07 0.07 0.24 -0.04 3.95 4.29 2fk6A1 SER 32 HB3 0.04 0.15 -0.19 -0.04 3.93 3.88 2fk6A1 VAL 33 H 0.04 0.84 0.40 -0.55 8.24 8.98 2fk6A1 VAL 33 HA -0.10 0.20 1.18 -0.75 4.13 4.65 2fk6A1 VAL 33 HB 0.04 -0.01 -0.18 -0.04 2.12 1.93 2fk6A1 VAL 33 HG13 0.03 0.01 -0.32 -0.04 0.97 0.65 2fk6A1 VAL 33 HG23 -0.01 -0.01 -0.21 -0.04 0.95 0.68 2fk6A1 TRP 34 H 0.11 0.67 0.31 -0.55 7.97 8.51 2fk6A1 TRP 34 HA -0.14 0.11 1.00 -0.75 4.62 4.84 2fk6A1 TRP 34 HB2 0.05 -0.04 0.17 -0.04 3.23 3.36 2fk6A1 TRP 34 HB3 -0.16 0.13 0.07 -0.04 3.23 3.23 2fk6A1 TRP 34 HD1 -0.12 0.07 -0.70 -0.04 7.22 6.43 2fk6A1 TRP 34 HE1 -0.16 0.04 -0.15 -0.04 10.20 9.89 2fk6A1 TRP 34 HE3 -0.07 -0.02 -0.09 -0.04 7.59 7.37 2fk6A1 TRP 34 HZ2 -0.22 0.02 -0.12 -0.04 7.44 7.07 2fk6A1 TRP 34 HZ3 -0.29 -0.04 -0.14 -0.04 7.13 6.62 2fk6A1 TRP 34 HH2 -0.19 -0.04 -0.16 -0.04 7.19 6.76 2fk6A1 LEU 35 H -0.06 0.22 0.10 -0.55 8.37 8.08 2fk6A1 LEU 35 HA 0.09 0.18 0.85 -0.75 4.35 4.73 2fk6A1 LEU 35 HB2 -0.08 -0.09 -0.03 -0.04 1.64 1.39 2fk6A1 LEU 35 HB3 -0.02 0.14 -0.15 -0.04 1.64 1.57 2fk6A1 LEU 35 HG -0.01 0.00 -0.20 -0.04 1.64 1.39 2fk6A1 LEU 35 HD13 0.00 0.00 -0.19 -0.04 0.93 0.70 2fk6A1 LEU 35 HD23 0.04 0.00 -0.31 -0.04 0.89 0.58 2fk6A1 PHE 36 H 0.18 0.65 0.32 -0.55 8.34 8.93 2fk6A1 PHE 36 HA -0.16 0.20 1.02 -0.75 4.62 4.92 2fk6A1 PHE 36 HB2 -0.30 -0.03 0.26 -0.04 3.15 3.05 2fk6A1 PHE 36 HB3 -0.39 -0.05 0.09 -0.04 3.06 2.67 2fk6A1 PHE 36 HD2 -0.56 0.05 -0.13 -0.04 7.28 6.60 2fk6A1 PHE 36 HE2 -0.50 -0.01 -0.14 -0.04 7.38 6.69 2fk6A1 PHE 36 HZ -0.31 0.00 -0.13 -0.04 7.32 6.84 2fk6A1 ASP 37 H -0.04 0.67 0.14 -0.55 8.40 8.62 2fk6A1 ASP 37 HA -0.01 -0.02 0.42 -0.75 4.63 4.26 2fk6A1 ASP 37 HB2 -0.09 0.17 0.15 -0.04 2.71 2.90 2fk6A1 ASP 37 HB3 -0.24 0.00 0.07 -0.04 2.70 2.49 2fk6A1 CYS 38 H 0.00 0.64 0.04 -0.55 8.50 8.64 2fk6A1 CYS 38 HA 0.01 0.18 0.67 -0.75 4.58 4.70 2fk6A1 CYS 38 HB2 -0.01 0.06 -0.35 -0.04 2.97 2.63 2fk6A1 CYS 38 HB3 0.02 -0.05 -0.06 -0.04 2.97 2.84 2fk6A1 GLY 39 H 0.01 0.82 0.01 -0.55 8.43 8.72 2fk6A1 GLY 39 HA2 0.05 -0.28 -0.15 -0.51 4.01 3.13 2fk6A1 GLY 39 HA3 0.05 0.26 -0.03 -0.51 4.01 3.78 2fk6A1 GLU 40 H 0.11 0.11 0.06 -0.55 8.60 8.33 2fk6A1 GLU 40 HA 0.11 0.04 0.08 -0.75 4.29 3.76 2fk6A1 GLU 40 HB2 0.20 0.00 0.05 -0.04 2.09 2.30 2fk6A1 GLU 40 HB3 0.09 -0.01 0.04 -0.04 1.99 2.08 2fk6A1 GLU 40 HG2 -0.03 0.04 -0.26 -0.04 2.34 2.05 2fk6A1 GLU 40 HG3 0.03 -0.01 0.04 -0.04 2.34 2.36 2fk6A1 ALA 41 H 0.03 0.15 0.12 -0.55 8.40 8.15 2fk6A1 ALA 41 HA -0.10 -0.01 0.33 -0.75 4.34 3.81 2fk6A1 ALA 41 HB3 -0.15 0.09 0.02 -0.04 1.41 1.33 2fk6A1 THR 42 H 0.08 0.30 -0.39 -0.55 8.28 7.72 2fk6A1 THR 42 HA 0.06 0.13 0.25 -0.75 4.39 4.07 2fk6A1 THR 42 HB 0.06 -0.06 -0.08 -0.04 4.32 4.20 2fk6A1 THR 42 HG23 0.03 -0.00 -0.24 -0.04 1.22 0.97 2fk6A1 GLN 43 H 0.13 0.06 -0.23 -0.55 8.47 7.88 2fk6A1 GLN 43 HA 0.03 0.12 0.34 -0.75 4.36 4.10 2fk6A1 GLN 43 HB2 -0.03 0.09 -0.02 -0.04 2.15 2.15 2fk6A1 GLN 43 HB3 0.04 0.00 -0.00 -0.04 2.02 2.01 2fk6A1 GLN 43 HG2 0.17 -0.12 -0.07 -0.04 2.40 2.35 2fk6A1 GLN 43 HG3 -0.02 0.01 -0.14 -0.04 2.39 2.20 2fk6A1 GLN 43 HE21 -0.01 0.14 -0.07 -0.04 6.97 6.99 2fk6A1 GLN 43 HE22 0.07 -0.19 -0.25 -0.04 7.69 7.29 2fk6A1 HIS 44 H 0.42 -0.04 -0.42 -0.55 8.41 7.83 2fk6A1 HIS 44 HA -0.01 0.05 0.30 -0.75 4.63 4.22 2fk6A1 HIS 44 HB2 0.06 0.30 0.16 -0.04 3.26 3.74 2fk6A1 HIS 44 HB3 0.08 0.02 -0.02 -0.04 3.20 3.24 2fk6A1 HIS 44 HD2 0.03 0.04 -0.01 -0.04 6.97 6.99 2fk6A1 HIS 44 HE1 0.00 -0.01 -0.01 -0.04 7.75 7.69 2fk6A1 GLN 45 H 0.17 0.37 -0.18 -0.55 8.47 8.29 2fk6A1 GLN 45 HA 0.44 0.02 0.37 -0.75 4.36 4.44 2fk6A1 GLN 45 HB2 0.06 0.09 0.12 -0.04 2.15 2.38 2fk6A1 GLN 45 HB3 -0.03 -0.04 0.04 -0.04 2.02 1.95 2fk6A1 GLN 45 HG2 0.08 0.02 0.03 -0.04 2.40 2.48 2fk6A1 GLN 45 HG3 -0.06 0.29 0.09 -0.04 2.39 2.67 2fk6A1 GLN 45 HE21 -0.11 -0.08 0.01 -0.04 6.97 6.75 2fk6A1 GLN 45 HE22 -0.25 0.41 0.19 -0.04 7.69 8.00 2fk6A1 MET 46 H 0.09 0.39 -0.32 -0.55 8.47 8.08 2fk6A1 MET 46 HA 0.12 -0.08 0.37 -0.75 4.52 4.17 2fk6A1 MET 46 HB2 0.01 0.35 0.19 -0.04 2.15 2.67 2fk6A1 MET 46 HB3 0.01 0.09 -0.06 -0.04 2.03 2.04 2fk6A1 MET 46 HG2 0.04 -0.10 -0.07 -0.04 2.63 2.46 2fk6A1 MET 46 HG3 0.05 0.12 -0.03 -0.04 2.56 2.66 2fk6A1 MET 46 HE3 0.02 -0.02 -0.23 -0.04 2.10 1.83 2fk6A1 LEU 47 H -0.09 0.35 -0.29 -0.55 8.37 7.79 2fk6A1 LEU 47 HA -0.11 0.05 0.35 -0.75 4.35 3.89 2fk6A1 LEU 47 HB2 -0.47 0.14 0.04 -0.04 1.64 1.31 2fk6A1 LEU 47 HB3 -0.25 -0.06 0.13 -0.04 1.64 1.42 2fk6A1 LEU 47 HG -0.16 0.13 0.04 -0.04 1.64 1.61 2fk6A1 LEU 47 HD13 -0.21 -0.03 -0.01 -0.04 0.93 0.64 2fk6A1 LEU 47 HD23 -0.12 -0.01 -0.02 -0.04 0.89 0.70 2fk6A1 HIS 48 H 0.05 0.31 -0.87 -0.55 8.41 7.36 2fk6A1 HIS 48 HA -0.03 0.10 0.83 -0.75 4.63 4.77 2fk6A1 HIS 48 HB2 0.13 0.17 0.09 -0.04 3.26 3.61 2fk6A1 HIS 48 HB3 -0.31 -0.10 0.12 -0.04 3.20 2.87 2fk6A1 HIS 48 HD2 0.32 -0.04 0.04 -0.04 6.97 7.24 2fk6A1 HIS 48 HE1 0.03 -0.06 -0.06 -0.04 7.75 7.62 2fk6A1 THR 49 H 0.10 0.78 0.11 -0.55 8.28 8.72 2fk6A1 THR 49 HA 0.09 0.16 0.88 -0.75 4.39 4.76 2fk6A1 THR 49 HB 0.11 -0.20 0.16 -0.04 4.32 4.35 2fk6A1 THR 49 HG23 0.33 0.03 -0.11 -0.04 1.22 1.44 2fk6A1 THR 50 H 0.05 0.08 0.11 -0.55 8.28 7.97 2fk6A1 THR 50 HA 0.01 0.24 0.62 -0.75 4.39 4.52 2fk6A1 THR 50 HB 0.01 0.00 0.09 -0.04 4.32 4.39 2fk6A1 THR 50 HG23 0.02 0.01 -0.06 -0.04 1.22 1.15 2fk6A1 ILE 51 H 0.04 0.01 -0.22 -0.55 8.25 7.53 2fk6A1 ILE 51 HA 0.01 0.02 0.41 -0.75 4.18 3.88 2fk6A1 ILE 51 HB 0.04 0.02 0.01 -0.04 1.89 1.91 2fk6A1 ILE 51 HG12 0.02 0.00 -0.09 -0.04 1.49 1.38 2fk6A1 ILE 51 HG13 0.04 -0.07 -0.04 -0.04 1.21 1.09 2fk6A1 ILE 51 HG23 0.02 -0.01 -0.38 -0.04 0.93 0.52 2fk6A1 ILE 51 HD13 0.03 0.00 -0.10 -0.04 0.88 0.78 2fk6A1 LYS 52 H -0.00 0.13 0.10 -0.55 8.42 8.10 2fk6A1 LYS 52 HA -0.01 0.31 0.87 -0.75 4.32 4.74 2fk6A1 LYS 52 HB2 -0.01 -0.06 0.04 -0.04 1.87 1.79 2fk6A1 LYS 52 HB3 -0.01 -0.01 -0.03 -0.04 1.79 1.70 2fk6A1 LYS 52 HG2 -0.01 0.08 -0.18 -0.04 1.46 1.31 2fk6A1 LYS 52 HG3 -0.00 0.17 -0.36 -0.04 1.46 1.23 2fk6A1 LYS 52 HD2 -0.01 -0.05 -0.03 -0.04 1.69 1.56 2fk6A1 LYS 52 HD3 -0.01 -0.01 -0.04 -0.04 1.68 1.58 2fk6A1 LYS 52 HE2 -0.00 0.04 -0.03 -0.04 2.99 2.96 2fk6A1 LYS 52 HE3 -0.00 -0.04 -0.03 -0.04 2.99 2.88 2fk6A1 PRO 53 HA -0.02 0.02 0.28 -0.51 4.44 4.20 2fk6A1 PRO 53 HB2 -0.02 -0.01 0.04 -0.04 2.28 2.25 2fk6A1 PRO 53 HB3 -0.02 0.07 -0.06 -0.04 2.02 1.96 2fk6A1 PRO 53 HG2 -0.02 0.09 -0.03 -0.04 2.03 2.02 2fk6A1 PRO 53 HG3 -0.02 -0.00 0.01 -0.04 2.03 1.97 2fk6A1 PRO 53 HD2 -0.02 0.14 0.11 -0.04 3.68 3.87 2fk6A1 PRO 53 HD3 -0.02 0.24 0.12 -0.04 3.65 3.95 2fk6A1 ARG 54 H -0.04 0.16 -0.13 -0.55 8.46 7.90 2fk6A1 ARG 54 HA -0.13 0.10 0.30 -0.75 4.34 3.86 2fk6A1 ARG 54 HB2 -0.03 -0.01 0.02 -0.04 1.90 1.83 2fk6A1 ARG 54 HB3 -0.05 -0.03 0.09 -0.04 1.80 1.76 2fk6A1 ARG 54 HG2 -0.07 0.02 0.05 -0.04 1.67 1.63 2fk6A1 ARG 54 HG3 -0.03 -0.02 0.03 -0.04 1.67 1.60 2fk6A1 ARG 54 HD2 0.00 0.52 0.02 -0.04 3.22 3.72 2fk6A1 ARG 54 HD3 -0.01 -0.02 0.08 -0.04 3.22 3.23 2fk6A1 LYS 55 H -0.03 0.56 -0.58 -0.55 8.42 7.81 2fk6A1 LYS 55 HA -0.02 0.14 0.61 -0.75 4.32 4.30 2fk6A1 LYS 55 HB2 -0.01 0.08 0.08 -0.04 1.87 1.97 2fk6A1 LYS 55 HB3 -0.01 -0.12 0.14 -0.04 1.79 1.75 2fk6A1 LYS 55 HG2 -0.01 0.05 0.02 -0.04 1.46 1.47 2fk6A1 LYS 55 HG3 -0.01 -0.07 -0.06 -0.04 1.46 1.28 2fk6A1 LYS 55 HD2 -0.01 0.06 0.02 -0.04 1.69 1.73 2fk6A1 LYS 55 HD3 -0.01 -0.36 0.17 -0.04 1.68 1.45 2fk6A1 LYS 55 HE2 -0.00 -0.07 -0.00 -0.04 2.99 2.87 2fk6A1 LYS 55 HE3 -0.00 0.02 -0.01 -0.04 2.99 2.96 2fk6A1 ILE 56 H -0.04 0.82 -0.06 -0.55 8.25 8.42 2fk6A1 ILE 56 HA 0.05 0.16 0.91 -0.75 4.18 4.55 2fk6A1 ILE 56 HB -0.05 0.12 0.07 -0.04 1.89 1.99 2fk6A1 ILE 56 HG12 0.02 -0.08 -0.27 -0.04 1.49 1.12 2fk6A1 ILE 56 HG13 0.01 -0.04 -0.26 -0.04 1.21 0.88 2fk6A1 ILE 56 HG23 -0.04 -0.02 -0.27 -0.04 0.93 0.55 2fk6A1 ILE 56 HD13 -0.01 -0.02 -0.20 -0.04 0.88 0.61 2fk6A1 GLU 57 H 0.14 0.34 0.29 -0.55 8.60 8.82 2fk6A1 GLU 57 HA -0.05 0.27 0.70 -0.75 4.29 4.45 2fk6A1 GLU 57 HB2 0.09 0.07 0.01 -0.04 2.09 2.22 2fk6A1 GLU 57 HB3 0.33 -0.05 0.07 -0.04 1.99 2.29 2fk6A1 GLU 57 HG2 -0.14 -0.05 -0.30 -0.04 2.34 1.80 2fk6A1 GLU 57 HG3 -0.02 0.08 0.04 -0.04 2.34 2.40 2fk6A1 LYS 58 H -0.16 0.16 0.14 -0.55 8.42 8.01 2fk6A1 LYS 58 HA -0.36 0.11 0.59 -0.75 4.32 3.91 2fk6A1 LYS 58 HB2 -0.96 0.04 -0.01 -0.04 1.87 0.91 2fk6A1 LYS 58 HB3 -0.50 0.06 0.02 -0.04 1.79 1.33 2fk6A1 LYS 58 HG2 -1.09 -0.08 -0.21 -0.04 1.46 0.03 2fk6A1 LYS 58 HG3 -2.07 -0.06 0.04 -0.04 1.46 -0.67 2fk6A1 LYS 58 HD2 -2.30 -0.03 -0.12 -0.04 1.69 -0.80 2fk6A1 LYS 58 HD3 -1.53 -0.00 -0.12 -0.04 1.68 -0.01 2fk6A1 LYS 58 HE2 -0.49 0.05 -0.08 -0.04 2.99 2.44 2fk6A1 LYS 58 HE3 -0.60 0.02 -0.13 -0.04 2.99 2.23 2fk6A1 ILE 59 H -0.36 0.27 0.13 -0.55 8.25 7.74 2fk6A1 ILE 59 HA -0.38 0.27 0.96 -0.75 4.18 4.28 2fk6A1 ILE 59 HB -0.19 -0.05 0.08 -0.04 1.89 1.70 2fk6A1 ILE 59 HG12 -0.11 -0.01 -0.15 -0.04 1.49 1.18 2fk6A1 ILE 59 HG13 -0.17 -0.04 -0.22 -0.04 1.21 0.74 2fk6A1 ILE 59 HG23 -0.12 -0.02 -0.34 -0.04 0.93 0.41 2fk6A1 ILE 59 HD13 -0.06 0.01 -0.15 -0.04 0.88 0.63 2fk6A1 PHE 60 H -0.50 0.72 0.39 -0.55 8.34 8.40 2fk6A1 PHE 60 HA -0.33 0.25 1.05 -0.75 4.62 4.83 2fk6A1 PHE 60 HB2 -1.35 -0.05 0.17 -0.04 3.15 1.87 2fk6A1 PHE 60 HB3 -1.56 0.03 -0.07 -0.04 3.06 1.41 2fk6A1 PHE 60 HD2 -1.25 0.06 -0.05 -0.04 7.28 6.00 2fk6A1 PHE 60 HE2 -1.44 0.02 -0.12 -0.04 7.38 5.80 2fk6A1 PHE 60 HZ -1.50 -0.01 -0.13 -0.04 7.32 5.64 2fk6A1 ILE 61 H 0.10 0.88 0.37 -0.55 8.25 9.05 2fk6A1 ILE 61 HA 0.10 0.00 0.91 -0.75 4.18 4.44 2fk6A1 ILE 61 HB 0.12 0.00 0.14 -0.04 1.89 2.11 2fk6A1 ILE 61 HG12 -0.00 0.19 -0.13 -0.04 1.49 1.50 2fk6A1 ILE 61 HG13 0.04 -0.05 -0.09 -0.04 1.21 1.08 2fk6A1 ILE 61 HG23 0.08 -0.04 -0.20 -0.04 0.93 0.73 2fk6A1 ILE 61 HD13 0.00 0.02 -0.19 -0.04 0.88 0.67 2fk6A1 THR 62 H 0.22 0.07 0.14 -0.55 8.28 8.16 2fk6A1 THR 62 HA 0.31 0.19 0.57 -0.75 4.39 4.71 2fk6A1 THR 62 HB 0.27 0.16 0.12 -0.04 4.32 4.83 2fk6A1 THR 62 HG23 0.30 -0.01 -0.04 -0.04 1.22 1.42 2fk6A1 HIS 63 H 0.11 0.09 0.03 -0.55 8.41 8.10 2fk6A1 HIS 63 HA 0.12 0.17 0.42 -0.75 4.63 4.59 2fk6A1 HIS 63 HB2 0.02 0.18 0.14 -0.04 3.26 3.56 2fk6A1 HIS 63 HB3 0.03 0.11 0.04 -0.04 3.20 3.34 2fk6A1 HIS 63 HD2 0.05 -0.14 -0.09 -0.04 6.97 6.75 2fk6A1 HIS 63 HE1 -0.20 -0.06 -0.06 -0.04 7.75 7.40 2fk6A1 MET 64 H 0.08 0.27 0.10 -0.55 8.47 8.37 2fk6A1 MET 64 HA -0.11 -0.09 0.35 -0.75 4.52 3.92 2fk6A1 MET 64 HB2 -0.01 0.10 0.16 -0.04 2.15 2.37 2fk6A1 MET 64 HB3 -0.09 -0.04 -0.01 -0.04 2.03 1.85 2fk6A1 MET 64 HG2 0.05 0.05 0.04 -0.04 2.63 2.73 2fk6A1 MET 64 HG3 0.01 0.09 -0.01 -0.04 2.56 2.62 2fk6A1 MET 64 HE3 -0.08 -0.01 -0.16 -0.04 2.10 1.80 2fk6A1 ALA 65 H -0.26 0.08 0.07 -0.55 8.40 7.75 2fk6A1 ALA 65 HA -0.18 0.13 0.57 -0.75 4.34 4.10 2fk6A1 ALA 65 HB3 -0.40 0.07 -0.04 -0.04 1.41 1.00 2fk6A1 GLY 66 H -0.40 0.31 0.14 -0.55 8.43 7.93 2fk6A1 GLY 66 HA2 -1.65 -0.01 0.43 -0.51 4.01 2.28 2fk6A1 GLY 66 HA3 -1.07 0.20 0.40 -0.51 4.01 3.03 2fk6A1 ASP 67 H -0.14 0.14 -0.52 -0.55 8.40 7.33 2fk6A1 ASP 67 HA 0.05 0.08 0.63 -0.75 4.63 4.63 2fk6A1 ASP 67 HB2 0.10 -0.06 0.01 -0.04 2.71 2.71 2fk6A1 ASP 67 HB3 0.04 0.17 0.03 -0.04 2.70 2.91 2fk6A1 HIS 68 H -0.06 0.56 -0.17 -0.55 8.41 8.19 2fk6A1 HIS 68 HA -0.03 0.20 0.77 -0.75 4.63 4.82 2fk6A1 HIS 68 HB2 -0.26 0.16 0.16 -0.04 3.26 3.28 2fk6A1 HIS 68 HB3 -0.13 -0.13 0.10 -0.04 3.20 2.99 2fk6A1 HIS 68 HD2 -0.28 -0.11 0.07 -0.04 6.97 6.60 2fk6A1 HIS 68 HE1 0.23 0.01 -0.08 -0.04 7.75 7.86 2fk6A1 VAL 69 H -0.14 0.00 0.00 -0.55 8.24 7.55 2fk6A1 VAL 69 HA 0.07 0.30 0.92 -0.75 4.13 4.66 2fk6A1 VAL 69 HB 0.12 0.04 0.03 -0.04 2.12 2.26 2fk6A1 VAL 69 HG13 -0.01 0.01 -0.32 -0.04 0.97 0.62 2fk6A1 VAL 69 HG23 -0.42 0.01 -0.25 -0.04 0.95 0.25 2fk6A1 TYR 70 H -0.09 0.31 0.24 -0.55 8.29 8.20 2fk6A1 TYR 70 HA 0.26 0.11 0.45 -0.75 4.56 4.63 2fk6A1 TYR 70 HB2 0.05 0.03 0.25 -0.04 3.06 3.35 2fk6A1 TYR 70 HB3 0.08 0.02 0.22 -0.04 2.98 3.26 2fk6A1 TYR 70 HD2 0.01 0.05 0.05 -0.04 7.15 7.21 2fk6A1 TYR 70 HE2 -0.14 0.05 0.04 -0.04 6.85 6.76 2fk6A1 GLY 71 H 0.16 0.21 -0.97 -0.55 8.43 7.29 2fk6A1 GLY 71 HA2 0.13 -0.04 0.59 -0.51 4.01 4.17 2fk6A1 GLY 71 HA3 0.10 0.27 -0.08 -0.51 4.01 3.79 2fk6A1 LEU 72 H 0.19 0.51 -0.07 -0.55 8.37 8.45 2fk6A1 LEU 72 HA 0.04 0.04 0.38 -0.75 4.35 4.05 2fk6A1 LEU 72 HB2 0.14 0.11 0.15 -0.04 1.64 2.01 2fk6A1 LEU 72 HB3 -0.02 0.01 -0.07 -0.04 1.64 1.52 2fk6A1 LEU 72 HG 0.05 -0.00 -0.02 -0.04 1.64 1.62 2fk6A1 LEU 72 HD13 -0.01 -0.00 -0.08 -0.04 0.93 0.80 2fk6A1 LEU 72 HD23 0.10 -0.01 0.03 -0.04 0.89 0.97 2fk6A1 PRO 73 HA -0.11 0.09 0.32 -0.51 4.44 4.23 2fk6A1 PRO 73 HB2 -0.02 -0.04 0.05 -0.04 2.28 2.23 2fk6A1 PRO 73 HB3 -0.12 0.10 0.01 -0.04 2.02 1.96 2fk6A1 PRO 73 HG2 -0.13 0.06 0.03 -0.04 2.03 1.94 2fk6A1 PRO 73 HG3 -0.56 0.07 0.04 -0.04 2.03 1.54 2fk6A1 PRO 73 HD2 0.14 0.15 -0.26 -0.04 3.68 3.68 2fk6A1 PRO 73 HD3 0.02 0.11 0.10 -0.04 3.65 3.84 2fk6A1 GLY 74 H 0.03 0.15 -0.23 -0.55 8.43 7.83 2fk6A1 GLY 74 HA2 0.02 0.09 0.34 -0.51 4.01 3.94 2fk6A1 GLY 74 HA3 0.05 0.01 0.24 -0.51 4.01 3.80 2fk6A1 LEU 75 H 0.04 0.38 -0.31 -0.55 8.37 7.93 2fk6A1 LEU 75 HA 0.02 0.02 0.48 -0.75 4.35 4.12 2fk6A1 LEU 75 HB2 0.04 -0.05 0.05 -0.04 1.64 1.64 2fk6A1 LEU 75 HB3 0.03 0.06 0.16 -0.04 1.64 1.84 2fk6A1 LEU 75 HG 0.01 0.05 -0.45 -0.04 1.64 1.21 2fk6A1 LEU 75 HD13 0.01 -0.03 -0.03 -0.04 0.93 0.85 2fk6A1 LEU 75 HD23 0.00 -0.01 -0.17 -0.04 0.89 0.67 2fk6A1 LEU 76 H 0.03 0.61 0.04 -0.55 8.37 8.50 2fk6A1 LEU 76 HA 0.13 0.06 0.33 -0.75 4.35 4.12 2fk6A1 LEU 76 HB2 0.01 0.07 0.00 -0.04 1.64 1.69 2fk6A1 LEU 76 HB3 0.11 0.02 -0.06 -0.04 1.64 1.66 2fk6A1 LEU 76 HG 0.01 0.09 0.01 -0.04 1.64 1.70 2fk6A1 LEU 76 HD13 -0.04 -0.01 -0.12 -0.04 0.93 0.71 2fk6A1 LEU 76 HD23 0.05 -0.01 -0.12 -0.04 0.89 0.77 2fk6A1 GLY 77 H 0.03 0.53 -0.24 -0.55 8.43 8.21 2fk6A1 GLY 77 HA2 0.06 0.04 0.31 -0.51 4.01 3.91 2fk6A1 GLY 77 HA3 0.05 0.08 0.23 -0.51 4.01 3.85 2fk6A1 SER 78 H 0.05 0.41 -0.32 -0.55 8.46 8.05 2fk6A1 SER 78 HA 0.07 0.01 0.37 -0.75 4.49 4.19 2fk6A1 SER 78 HB2 0.00 0.14 0.18 -0.04 3.95 4.22 2fk6A1 SER 78 HB3 -0.03 -0.06 -0.01 -0.04 3.93 3.79 2fk6A1 ARG 79 H 0.08 0.43 -0.35 -0.55 8.46 8.07 2fk6A1 ARG 79 HA 0.01 -0.09 0.28 -0.75 4.34 3.78 2fk6A1 ARG 79 HB2 -0.01 -0.01 -0.01 -0.04 1.90 1.83 2fk6A1 ARG 79 HB3 0.07 0.15 -0.03 -0.04 1.80 1.96 2fk6A1 ARG 79 HG2 -0.47 0.07 -0.24 -0.04 1.67 1.00 2fk6A1 ARG 79 HG3 -0.14 -0.19 -0.28 -0.04 1.67 1.01 2fk6A1 ARG 79 HD2 -0.13 -0.06 -0.27 -0.04 3.22 2.73 2fk6A1 ARG 79 HD3 -0.28 -0.04 -0.17 -0.04 3.22 2.69 2fk6A1 SER 80 H 0.23 0.40 -0.29 -0.55 8.46 8.25 2fk6A1 SER 80 HA 0.26 0.28 0.42 -0.75 4.49 4.69 2fk6A1 SER 80 HB2 0.17 -0.05 0.08 -0.04 3.95 4.11 2fk6A1 SER 80 HB3 0.12 0.14 0.14 -0.04 3.93 4.28 2fk6A1 PHE 81 H 0.24 0.42 -0.17 -0.55 8.34 8.28 2fk6A1 PHE 81 HA 0.02 0.01 0.40 -0.75 4.62 4.30 2fk6A1 PHE 81 HB2 0.01 0.06 0.07 -0.04 3.15 3.25 2fk6A1 PHE 81 HB3 0.00 0.07 0.08 -0.04 3.06 3.17 2fk6A1 PHE 81 HD2 -0.00 0.02 -0.09 -0.04 7.28 7.17 2fk6A1 PHE 81 HE2 -0.00 -0.03 0.01 -0.04 7.38 7.32 2fk6A1 PHE 81 HZ -0.00 -0.04 0.01 -0.04 7.32 7.25 2fk6A1 GLN 82 H 0.16 0.34 -0.60 -0.55 8.47 7.82 2fk6A1 GLN 82 HA 0.14 0.14 0.82 -0.75 4.36 4.70 2fk6A1 GLN 82 HB2 0.05 -0.03 0.07 -0.04 2.15 2.20 2fk6A1 GLN 82 HB3 0.06 -0.08 0.16 -0.04 2.02 2.11 2fk6A1 GLN 82 HG2 0.10 -0.04 -0.09 -0.04 2.40 2.33 2fk6A1 GLN 82 HG3 0.13 0.28 -0.02 -0.04 2.39 2.73 2fk6A1 GLN 82 HE21 -0.01 -0.08 -0.01 -0.04 6.97 6.83 2fk6A1 GLN 82 HE22 0.01 0.01 0.03 -0.04 7.69 7.70 2fk6A1 GLY 83 H 0.05 0.41 -0.41 -0.55 8.43 7.94 2fk6A1 GLY 83 HA2 0.02 -0.00 0.33 -0.51 4.01 3.85 2fk6A1 GLY 83 HA3 0.02 -0.01 0.77 -0.51 4.01 4.28 2fk6A1 GLY 84 H -0.01 0.08 0.11 -0.55 8.43 8.06 2fk6A1 GLY 84 HA2 -0.06 -0.14 0.43 -0.51 4.01 3.72 2fk6A1 GLY 84 HA3 -0.11 0.09 0.23 -0.51 4.01 3.72 2fk6A1 GLU 85 H -0.04 -0.11 0.19 -0.55 8.60 8.10 2fk6A1 GLU 85 HA 0.08 0.47 1.09 -0.75 4.29 5.18 2fk6A1 GLU 85 HB2 0.01 -0.10 0.03 -0.04 2.09 1.99 2fk6A1 GLU 85 HB3 0.03 -0.03 0.09 -0.04 1.99 2.03 2fk6A1 GLU 85 HG2 0.03 0.21 -0.04 -0.04 2.34 2.50 2fk6A1 GLU 85 HG3 0.02 -0.10 -0.44 -0.04 2.34 1.78 2fk6A1 ASP 86 H -0.05 -0.13 0.16 -0.55 8.40 7.82 2fk6A1 ASP 86 HA -0.00 -0.00 0.41 -0.75 4.63 4.28 2fk6A1 ASP 86 HB2 -0.08 0.07 0.04 -0.04 2.71 2.70 2fk6A1 ASP 86 HB3 -0.03 0.07 0.11 -0.04 2.70 2.81 2fk6A1 GLU 87 H 0.00 0.02 0.20 -0.55 8.60 8.27 2fk6A1 GLU 87 HA 0.07 0.29 0.80 -0.75 4.29 4.69 2fk6A1 GLU 87 HB2 0.02 -0.04 0.13 -0.04 2.09 2.15 2fk6A1 GLU 87 HB3 -0.00 -0.06 0.06 -0.04 1.99 1.95 2fk6A1 GLU 87 HG2 -0.00 0.07 -0.03 -0.04 2.34 2.33 2fk6A1 GLU 87 HG3 0.02 -0.03 0.01 -0.04 2.34 2.29 2fk6A1 LEU 88 H 0.08 0.59 0.32 -0.55 8.37 8.81 2fk6A1 LEU 88 HA -0.10 0.45 1.05 -0.75 4.35 5.00 2fk6A1 LEU 88 HB2 -0.14 0.15 -0.13 -0.04 1.64 1.47 2fk6A1 LEU 88 HB3 0.19 -0.04 0.05 -0.04 1.64 1.79 2fk6A1 LEU 88 HG -0.04 -0.15 -0.40 -0.04 1.64 1.01 2fk6A1 LEU 88 HD13 -0.16 0.01 -0.37 -0.04 0.93 0.36 2fk6A1 LEU 88 HD23 -0.01 0.00 -0.18 -0.04 0.89 0.66 2fk6A1 THR 89 H -0.20 0.58 0.34 -0.55 8.28 8.45 2fk6A1 THR 89 HA -0.23 0.32 1.29 -0.75 4.39 5.02 2fk6A1 THR 89 HB -0.22 -0.04 0.10 -0.04 4.32 4.11 2fk6A1 THR 89 HG23 -0.84 -0.02 -0.22 -0.04 1.22 0.11 2fk6A1 VAL 90 H -0.26 0.68 0.35 -0.55 8.24 8.46 2fk6A1 VAL 90 HA -0.27 0.15 0.96 -0.75 4.13 4.21 2fk6A1 VAL 90 HB -0.15 -0.07 0.15 -0.04 2.12 2.02 2fk6A1 VAL 90 HG13 -0.09 -0.02 -0.21 -0.04 0.97 0.61 2fk6A1 VAL 90 HG23 -0.10 -0.00 -0.09 -0.04 0.95 0.71 2fk6A1 TYR 91 H -0.22 0.70 0.31 -0.55 8.29 8.53 2fk6A1 TYR 91 HA -0.16 0.23 1.08 -0.75 4.56 4.95 2fk6A1 TYR 91 HB2 -0.43 -0.08 0.14 -0.04 3.06 2.65 2fk6A1 TYR 91 HB3 -0.02 0.02 0.06 -0.04 2.98 2.99 2fk6A1 TYR 91 HD2 -0.54 0.03 -0.12 -0.04 7.15 6.48 2fk6A1 TYR 91 HE2 -0.35 0.23 -0.00 -0.04 6.85 6.68 2fk6A1 GLY 92 H 0.01 0.69 0.35 -0.55 8.43 8.93 2fk6A1 GLY 92 HA2 0.15 0.22 0.65 -0.51 4.01 4.52 2fk6A1 GLY 92 HA3 0.06 -0.05 0.30 -0.51 4.01 3.81 2fk6A1 PRO 93 HA 0.12 0.26 0.71 -0.51 4.44 5.02 2fk6A1 PRO 93 HB2 0.16 0.06 0.03 -0.04 2.28 2.49 2fk6A1 PRO 93 HB3 0.41 0.04 0.09 -0.04 2.02 2.53 2fk6A1 PRO 93 HG2 0.24 -0.02 -0.10 -0.04 2.03 2.12 2fk6A1 PRO 93 HG3 0.40 0.15 -0.26 -0.04 2.03 2.28 2fk6A1 PRO 93 HD2 0.11 -0.01 0.04 -0.04 3.68 3.77 2fk6A1 PRO 93 HD3 0.16 0.18 0.02 -0.04 3.65 3.96 2fk6A1 LYS 94 H 0.12 0.19 0.15 -0.55 8.42 8.33 2fk6A1 LYS 94 HA 0.04 -0.01 0.45 -0.75 4.32 4.05 2fk6A1 LYS 94 HB2 0.05 0.03 0.16 -0.04 1.87 2.07 2fk6A1 LYS 94 HB3 0.04 0.01 0.06 -0.04 1.79 1.85 2fk6A1 LYS 94 HG2 0.04 0.04 0.08 -0.04 1.46 1.58 2fk6A1 LYS 94 HG3 0.08 0.03 0.13 -0.04 1.46 1.66 2fk6A1 LYS 94 HD2 0.04 -0.01 0.05 -0.04 1.69 1.72 2fk6A1 LYS 94 HD3 0.03 -0.00 0.04 -0.04 1.68 1.71 2fk6A1 LYS 94 HE2 0.03 0.00 0.03 -0.04 2.99 3.01 2fk6A1 LYS 94 HE3 0.04 0.04 0.03 -0.04 2.99 3.06 2fk6A1 GLY 95 H 0.04 0.05 0.20 -0.55 8.43 8.17 2fk6A1 GLY 95 HA2 0.05 0.01 0.38 -0.51 4.01 3.94 2fk6A1 GLY 95 HA3 0.04 0.30 0.87 -0.51 4.01 4.71 2fk6A1 ILE 96 H 0.06 0.70 -0.09 -0.55 8.25 8.36 2fk6A1 ILE 96 HA 0.14 0.03 0.29 -0.75 4.18 3.89 2fk6A1 ILE 96 HB 0.06 0.08 0.03 -0.04 1.89 2.02 2fk6A1 ILE 96 HG12 0.02 0.07 -0.22 -0.04 1.49 1.32 2fk6A1 ILE 96 HG13 0.03 -0.02 -0.17 -0.04 1.21 1.01 2fk6A1 ILE 96 HG23 0.01 0.03 -0.25 -0.04 0.93 0.67 2fk6A1 ILE 96 HD13 0.14 -0.02 -0.03 -0.04 0.88 0.93 2fk6A1 LYS 97 H 0.03 0.04 -0.20 -0.55 8.42 7.74 2fk6A1 LYS 97 HA -0.01 0.14 0.44 -0.75 4.32 4.14 2fk6A1 LYS 97 HB2 -0.01 0.02 0.04 -0.04 1.87 1.87 2fk6A1 LYS 97 HB3 0.00 -0.04 0.04 -0.04 1.79 1.75 2fk6A1 LYS 97 HG2 -0.02 0.01 -0.10 -0.04 1.46 1.31 2fk6A1 LYS 97 HG3 -0.04 0.03 0.04 -0.04 1.46 1.45 2fk6A1 LYS 97 HD2 -0.03 0.07 0.03 -0.04 1.69 1.71 2fk6A1 LYS 97 HD3 -0.03 0.02 0.01 -0.04 1.68 1.64 2fk6A1 LYS 97 HE2 -0.01 -0.08 0.00 -0.04 2.99 2.86 2fk6A1 LYS 97 HE3 -0.01 0.00 -0.03 -0.04 2.99 2.91 2fk6A1 ALA 98 H 0.05 0.02 -0.16 -0.55 8.40 7.76 2fk6A1 ALA 98 HA 0.03 0.08 0.34 -0.75 4.34 4.03 2fk6A1 ALA 98 HB3 0.06 0.04 0.09 -0.04 1.41 1.56 2fk6A1 PHE 99 H 0.20 0.54 -0.15 -0.55 8.34 8.38 2fk6A1 PHE 99 HA 0.02 0.03 0.32 -0.75 4.62 4.23 2fk6A1 PHE 99 HB2 0.03 0.02 0.05 -0.04 3.15 3.20 2fk6A1 PHE 99 HB3 0.02 0.04 0.08 -0.04 3.06 3.16 2fk6A1 PHE 99 HD2 0.04 0.00 -0.02 -0.04 7.28 7.27 2fk6A1 PHE 99 HE2 0.10 0.16 -0.03 -0.04 7.38 7.56 2fk6A1 PHE 99 HZ 0.24 -0.01 -0.02 -0.04 7.32 7.49 2fk6A1 ILE 100 H 0.01 0.49 -0.13 -0.55 8.25 8.08 2fk6A1 ILE 100 HA -0.38 -0.01 0.41 -0.75 4.18 3.44 2fk6A1 ILE 100 HB -0.06 0.08 0.19 -0.04 1.89 2.05 2fk6A1 ILE 100 HG12 -0.10 -0.07 -0.02 -0.04 1.49 1.26 2fk6A1 ILE 100 HG13 0.00 -0.02 0.08 -0.04 1.21 1.22 2fk6A1 ILE 100 HG23 -0.11 0.00 -0.19 -0.04 0.93 0.59 2fk6A1 ILE 100 HD13 -0.03 -0.01 -0.07 -0.04 0.88 0.73 2fk6A1 GLU 101 H -0.06 0.70 -0.04 -0.55 8.60 8.65 2fk6A1 GLU 101 HA -0.08 0.03 0.38 -0.75 4.29 3.86 2fk6A1 GLU 101 HB2 -0.03 0.29 0.16 -0.04 2.09 2.46 2fk6A1 GLU 101 HB3 -0.03 -0.02 0.04 -0.04 1.99 1.94 2fk6A1 GLU 101 HG2 -0.03 -0.01 -0.01 -0.04 2.34 2.24 2fk6A1 GLU 101 HG3 -0.05 0.00 0.07 -0.04 2.34 2.32 2fk6A1 THR 102 H -0.04 0.72 -0.07 -0.55 8.28 8.34 2fk6A1 THR 102 HA -0.03 0.01 0.45 -0.75 4.39 4.07 2fk6A1 THR 102 HB 0.02 0.02 0.07 -0.04 4.32 4.39 2fk6A1 THR 102 HG23 0.01 -0.02 -0.00 -0.04 1.22 1.17 2fk6A1 SER 103 H -0.16 0.50 -0.11 -0.55 8.46 8.14 2fk6A1 SER 103 HA -0.09 -0.01 0.38 -0.75 4.49 4.01 2fk6A1 SER 103 HB2 -0.31 0.11 0.17 -0.04 3.95 3.89 2fk6A1 SER 103 HB3 -0.21 -0.09 0.05 -0.04 3.93 3.64 2fk6A1 LEU 104 H -0.13 0.48 -0.14 -0.55 8.37 8.03 2fk6A1 LEU 104 HA -0.10 0.03 0.45 -0.75 4.35 3.98 2fk6A1 LEU 104 HB2 -0.11 0.08 0.15 -0.04 1.64 1.73 2fk6A1 LEU 104 HB3 -0.11 0.13 0.00 -0.04 1.64 1.62 2fk6A1 LEU 104 HG -0.11 0.04 -0.03 -0.04 1.64 1.50 2fk6A1 LEU 104 HD13 -0.11 0.01 -0.05 -0.04 0.93 0.74 2fk6A1 LEU 104 HD23 -0.12 0.00 -0.06 -0.04 0.89 0.67 2fk6A1 ALA 105 H -0.08 0.47 -0.10 -0.55 8.40 8.14 2fk6A1 ALA 105 HA -0.07 0.03 0.39 -0.75 4.34 3.94 2fk6A1 ALA 105 HB3 -0.04 0.02 0.17 -0.04 1.41 1.52 2fk6A1 VAL 106 H -0.04 0.66 0.05 -0.55 8.24 8.36 2fk6A1 VAL 106 HA -0.03 -0.00 0.38 -0.75 4.13 3.73 2fk6A1 VAL 106 HB -0.02 -0.05 0.04 -0.04 2.12 2.05 2fk6A1 VAL 106 HG13 -0.01 -0.00 0.07 -0.04 0.97 0.98 2fk6A1 VAL 106 HG23 -0.04 0.10 0.03 -0.04 0.95 1.00 2fk6A1 THR 107 H -0.07 0.26 -0.64 -0.55 8.28 7.29 2fk6A1 THR 107 HA -0.04 0.08 0.66 -0.75 4.39 4.33 2fk6A1 THR 107 HB -0.05 -0.07 0.12 -0.04 4.32 4.28 2fk6A1 THR 107 HG23 -0.04 -0.01 0.02 -0.04 1.22 1.14 2fk6A1 LYS 108 H -0.09 0.62 -0.33 -0.55 8.42 8.08 2fk6A1 LYS 108 HA -0.18 0.01 0.32 -0.75 4.32 3.72 2fk6A1 LYS 108 HB2 -0.08 0.10 -0.10 -0.04 1.87 1.75 2fk6A1 LYS 108 HB3 -0.10 -0.09 0.20 -0.04 1.79 1.76 2fk6A1 LYS 108 HG2 -0.02 -0.03 0.04 -0.04 1.46 1.41 2fk6A1 LYS 108 HG3 -0.04 0.09 -0.13 -0.04 1.46 1.34 2fk6A1 LYS 108 HD2 -0.01 0.00 -0.05 -0.04 1.69 1.59 2fk6A1 LYS 108 HD3 0.01 -0.05 0.01 -0.04 1.68 1.61 2fk6A1 LYS 108 HE2 0.00 -0.03 0.00 -0.04 2.99 2.92 2fk6A1 LYS 108 HE3 -0.01 0.05 -0.01 -0.04 2.99 2.98 2fk6A1 THR 109 H -0.19 0.65 -0.19 -0.55 8.28 8.01 2fk6A1 THR 109 HA -0.22 0.12 0.60 -0.75 4.39 4.14 2fk6A1 THR 109 HB -0.12 -0.08 0.16 -0.04 4.32 4.23 2fk6A1 THR 109 HG23 -0.08 -0.02 -0.27 -0.04 1.22 0.81 2fk6A1 HIS 110 H -0.26 0.25 0.17 -0.55 8.41 8.02 2fk6A1 HIS 110 HA -0.07 0.06 0.67 -0.75 4.63 4.54 2fk6A1 HIS 110 HB2 -0.05 0.00 0.12 -0.04 3.26 3.29 2fk6A1 HIS 110 HB3 -0.06 0.02 0.00 -0.04 3.20 3.12 2fk6A1 HIS 110 HD2 -0.04 -0.02 0.07 -0.04 6.97 6.94 2fk6A1 HIS 110 HE1 -0.03 -0.05 -0.07 -0.04 7.75 7.55 2fk6A1 LEU 111 H -0.08 0.14 0.14 -0.55 8.37 8.03 2fk6A1 LEU 111 HA -0.12 0.09 0.62 -0.75 4.35 4.19 2fk6A1 LEU 111 HB2 -0.27 -0.03 0.15 -0.04 1.64 1.45 2fk6A1 LEU 111 HB3 -0.59 0.09 0.03 -0.04 1.64 1.13 2fk6A1 LEU 111 HG -0.72 0.07 -0.09 -0.04 1.64 0.86 2fk6A1 LEU 111 HD13 -0.12 0.01 -0.25 -0.04 0.93 0.53 2fk6A1 LEU 111 HD23 -0.50 -0.02 -0.11 -0.04 0.89 0.22 2fk6A1 THR 112 H 0.01 0.18 0.19 -0.55 8.28 8.11 2fk6A1 THR 112 HA 0.00 0.03 0.50 -0.75 4.39 4.17 2fk6A1 THR 112 HB 0.04 -0.09 0.26 -0.04 4.32 4.48 2fk6A1 THR 112 HG23 0.01 -0.03 0.12 -0.04 1.22 1.29 2fk6A1 TYR 113 H -0.22 0.13 -0.88 -0.55 8.29 6.77 2fk6A1 TYR 113 HA -0.01 0.12 0.45 -0.75 4.56 4.37 2fk6A1 TYR 113 HB2 -0.02 0.28 -0.06 -0.04 3.06 3.22 2fk6A1 TYR 113 HB3 -0.01 0.30 -0.21 -0.04 2.98 3.03 2fk6A1 TYR 113 HD2 -0.02 0.19 -0.35 -0.04 7.15 6.93 2fk6A1 TYR 113 HE2 -0.03 -0.05 -0.18 -0.04 6.85 6.55 2fk6A1 PRO 114 HA -0.04 0.07 0.76 -0.51 4.44 4.72 2fk6A1 PRO 114 HB2 0.01 -0.03 -0.01 -0.04 2.28 2.21 2fk6A1 PRO 114 HB3 0.01 0.02 0.05 -0.04 2.02 2.06 2fk6A1 PRO 114 HG2 0.08 -0.15 0.20 -0.04 2.03 2.11 2fk6A1 PRO 114 HG3 0.04 0.01 0.03 -0.04 2.03 2.07 2fk6A1 PRO 114 HD2 0.18 0.47 -0.00 -0.04 3.68 4.28 2fk6A1 PRO 114 HD3 0.08 0.12 0.10 -0.04 3.65 3.90 2fk6A1 LEU 115 H -0.09 0.18 0.17 -0.55 8.37 8.09 2fk6A1 LEU 115 HA 0.02 0.32 1.04 -0.75 4.35 4.97 2fk6A1 LEU 115 HB2 -0.23 0.05 0.01 -0.04 1.64 1.43 2fk6A1 LEU 115 HB3 -0.11 -0.07 0.11 -0.04 1.64 1.53 2fk6A1 LEU 115 HG -0.02 0.03 -0.09 -0.04 1.64 1.52 2fk6A1 LEU 115 HD13 -0.10 -0.03 -0.10 -0.04 0.93 0.65 2fk6A1 LEU 115 HD23 -0.05 0.04 -0.17 -0.04 0.89 0.67 2fk6A1 ALA 116 H -0.08 0.76 0.31 -0.55 8.40 8.84 2fk6A1 ALA 116 HA -0.10 0.12 0.90 -0.75 4.34 4.51 2fk6A1 ALA 116 HB3 -0.13 0.00 0.01 -0.04 1.41 1.25 2fk6A1 ILE 117 H -0.12 0.23 0.14 -0.55 8.25 7.96 2fk6A1 ILE 117 HA -0.19 0.21 0.96 -0.75 4.18 4.41 2fk6A1 ILE 117 HB -0.08 -0.01 0.14 -0.04 1.89 1.90 2fk6A1 ILE 117 HG12 -0.10 0.02 -0.11 -0.04 1.49 1.26 2fk6A1 ILE 117 HG13 -0.10 0.04 -0.26 -0.04 1.21 0.86 2fk6A1 ILE 117 HG23 -0.07 -0.04 -0.24 -0.04 0.93 0.54 2fk6A1 ILE 117 HD13 -0.07 -0.00 -0.01 -0.04 0.88 0.76 2fk6A1 GLN 118 H -0.30 0.86 0.30 -0.55 8.47 8.79 2fk6A1 GLN 118 HA -0.13 0.16 1.04 -0.75 4.36 4.68 2fk6A1 GLN 118 HB2 -0.58 0.04 0.07 -0.04 2.15 1.64 2fk6A1 GLN 118 HB3 -0.16 0.01 -0.07 -0.04 2.02 1.76 2fk6A1 GLN 118 HG2 -0.13 0.02 -0.04 -0.04 2.40 2.21 2fk6A1 GLN 118 HG3 -0.26 -0.05 -0.35 -0.04 2.39 1.69 2fk6A1 GLN 118 HE21 -0.03 0.03 -0.05 -0.04 6.97 6.87 2fk6A1 GLN 118 HE22 -0.15 -0.04 -0.10 -0.04 7.69 7.36 2fk6A1 GLU 119 H -0.05 0.19 0.03 -0.55 8.60 8.22 2fk6A1 GLU 119 HA -0.01 0.16 0.46 -0.75 4.29 4.14 2fk6A1 GLU 119 HB2 -0.01 0.04 0.16 -0.04 2.09 2.24 2fk6A1 GLU 119 HB3 0.02 -0.04 -0.17 -0.04 1.99 1.75 2fk6A1 GLU 119 HG2 -0.00 0.03 -0.21 -0.04 2.34 2.11 2fk6A1 GLU 119 HG3 -0.02 0.08 -0.06 -0.04 2.34 2.29 2fk6A1 ILE 120 H -0.05 0.53 0.33 -0.55 8.25 8.52 2fk6A1 ILE 120 HA -0.04 0.11 0.36 -0.75 4.18 3.85 2fk6A1 ILE 120 HB -0.09 -0.04 0.06 -0.04 1.89 1.77 2fk6A1 ILE 120 HG12 -0.20 0.16 -0.11 -0.04 1.49 1.30 2fk6A1 ILE 120 HG13 -0.83 -0.08 -0.53 -0.04 1.21 -0.26 2fk6A1 ILE 120 HG23 0.16 0.03 0.04 -0.04 0.93 1.12 2fk6A1 ILE 120 HD13 -0.39 -0.01 -0.23 -0.04 0.88 0.22 2fk6A1 GLU 121 H -0.12 0.37 0.09 -0.55 8.60 8.39 2fk6A1 GLU 121 HA -0.03 -0.03 0.42 -0.75 4.29 3.90 2fk6A1 GLU 121 HB2 0.09 -0.04 0.05 -0.04 2.09 2.14 2fk6A1 GLU 121 HB3 0.06 0.10 -0.03 -0.04 1.99 2.07 2fk6A1 GLU 121 HG2 0.00 -0.07 -0.17 -0.04 2.34 2.06 2fk6A1 GLU 121 HG3 0.02 0.16 -0.14 -0.04 2.34 2.35 2fk6A1 GLU 122 H 0.26 0.02 0.04 -0.55 8.60 8.38 2fk6A1 GLU 122 HA 0.11 0.07 0.17 -0.75 4.29 3.89 2fk6A1 GLU 122 HB2 0.10 -0.02 0.09 -0.04 2.09 2.22 2fk6A1 GLU 122 HB3 0.08 0.07 0.01 -0.04 1.99 2.11 2fk6A1 GLU 122 HG2 0.21 -0.07 0.10 -0.04 2.34 2.54 2fk6A1 GLU 122 HG3 0.13 0.00 0.12 -0.04 2.34 2.55 2fk6A1 GLY 123 H 0.06 0.53 0.34 -0.55 8.43 8.81 2fk6A1 GLY 123 HA2 0.05 -0.01 0.40 -0.51 4.01 3.93 2fk6A1 GLY 123 HA3 0.04 0.21 0.94 -0.51 4.01 4.68 2fk6A1 ILE 124 H 0.04 0.12 0.17 -0.55 8.25 8.03 2fk6A1 ILE 124 HA 0.07 0.06 0.47 -0.75 4.18 4.03 2fk6A1 ILE 124 HB 0.03 0.01 0.12 -0.04 1.89 2.01 2fk6A1 ILE 124 HG12 0.03 0.05 -0.02 -0.04 1.49 1.52 2fk6A1 ILE 124 HG13 0.04 -0.11 0.10 -0.04 1.21 1.20 2fk6A1 ILE 124 HG23 0.02 -0.01 -0.20 -0.04 0.93 0.70 2fk6A1 ILE 124 HD13 0.02 0.01 0.02 -0.04 0.88 0.89 2fk6A1 VAL 125 H 0.11 0.76 0.47 -0.55 8.24 9.03 2fk6A1 VAL 125 HA 0.14 0.20 0.93 -0.75 4.13 4.64 2fk6A1 VAL 125 HB 0.30 -0.07 0.10 -0.04 2.12 2.40 2fk6A1 VAL 125 HG13 0.09 0.02 -0.11 -0.04 0.97 0.93 2fk6A1 VAL 125 HG23 0.15 0.06 -0.12 -0.04 0.95 1.00 2fk6A1 PHE 126 H 0.13 0.21 0.10 -0.55 8.34 8.23 2fk6A1 PHE 126 HA 0.10 0.10 0.34 -0.75 4.62 4.41 2fk6A1 PHE 126 HB2 -0.00 0.18 0.07 -0.04 3.15 3.35 2fk6A1 PHE 126 HB3 -0.11 -0.10 -0.06 -0.04 3.06 2.75 2fk6A1 PHE 126 HD2 0.11 -0.03 -0.15 -0.04 7.28 7.16 2fk6A1 PHE 126 HE2 0.22 -0.03 -0.12 -0.04 7.38 7.41 2fk6A1 PHE 126 HZ 0.18 -0.02 -0.12 -0.04 7.32 7.31 2fk6A1 GLU 127 H -0.87 0.31 0.16 -0.55 8.60 7.64 2fk6A1 GLU 127 HA -0.36 0.30 0.82 -0.75 4.29 4.29 2fk6A1 GLU 127 HB2 -0.09 -0.02 -0.11 -0.04 2.09 1.83 2fk6A1 GLU 127 HB3 -0.16 -0.05 -0.03 -0.04 1.99 1.71 2fk6A1 GLU 127 HG2 -0.10 0.04 -0.12 -0.04 2.34 2.12 2fk6A1 GLU 127 HG3 -0.05 0.13 0.18 -0.04 2.34 2.56 2fk6A1 ASP 128 H -0.12 0.60 0.27 -0.55 8.40 8.61 2fk6A1 ASP 128 HA -0.09 0.15 0.50 -0.75 4.63 4.43 2fk6A1 ASP 128 HB2 0.08 -0.02 0.25 -0.04 2.71 2.98 2fk6A1 ASP 128 HB3 -0.04 0.13 -0.04 -0.04 2.70 2.70 2fk6A1 ASP 129 H 0.06 0.14 0.19 -0.55 8.40 8.24 2fk6A1 ASP 129 HA -0.00 0.21 0.62 -0.75 4.63 4.70 2fk6A1 ASP 129 HB2 0.03 -0.00 0.11 -0.04 2.71 2.81 2fk6A1 ASP 129 HB3 0.01 0.08 0.13 -0.04 2.70 2.87 2fk6A1 GLN 130 H 0.09 -0.13 -0.07 -0.55 8.47 7.82 2fk6A1 GLN 130 HA -0.13 0.32 0.83 -0.75 4.36 4.63 2fk6A1 GLN 130 HB2 0.04 -0.02 0.03 -0.04 2.15 2.16 2fk6A1 GLN 130 HB3 0.19 -0.08 0.07 -0.04 2.02 2.17 2fk6A1 GLN 130 HG2 -0.65 -0.03 -0.07 -0.04 2.40 1.61 2fk6A1 GLN 130 HG3 -0.16 0.08 0.05 -0.04 2.39 2.32 2fk6A1 GLN 130 HE21 0.07 0.92 0.20 -0.04 6.97 8.12 2fk6A1 GLN 130 HE22 -0.03 -0.06 0.07 -0.04 7.69 7.63 2fk6A1 PHE 131 H 0.28 -0.06 0.01 -0.55 8.34 8.02 2fk6A1 PHE 131 HA 0.12 0.36 1.10 -0.75 4.62 5.45 2fk6A1 PHE 131 HB2 0.50 -0.08 -0.07 -0.04 3.15 3.45 2fk6A1 PHE 131 HB3 0.42 -0.01 -0.19 -0.04 3.06 3.24 2fk6A1 PHE 131 HD2 0.14 -0.03 -0.38 -0.04 7.28 6.97 2fk6A1 PHE 131 HE2 -0.08 0.02 -0.16 -0.04 7.38 7.12 2fk6A1 PHE 131 HZ -0.14 0.01 -0.09 -0.04 7.32 7.05 2fk6A1 ILE 132 H 0.34 0.70 0.21 -0.55 8.25 8.95 2fk6A1 ILE 132 HA 0.12 0.18 0.99 -0.75 4.18 4.72 2fk6A1 ILE 132 HB 0.05 0.05 -0.06 -0.04 1.89 1.89 2fk6A1 ILE 132 HG12 0.07 -0.06 -0.17 -0.04 1.49 1.30 2fk6A1 ILE 132 HG13 0.04 0.01 0.04 -0.04 1.21 1.25 2fk6A1 ILE 132 HG23 0.09 0.03 0.08 -0.04 0.93 1.09 2fk6A1 ILE 132 HD13 0.03 -0.00 -0.02 -0.04 0.88 0.84 2fk6A1 VAL 133 H 0.21 0.63 0.24 -0.55 8.24 8.77 2fk6A1 VAL 133 HA 0.12 0.40 1.17 -0.75 4.13 5.06 2fk6A1 VAL 133 HB 0.08 -0.05 0.18 -0.04 2.12 2.28 2fk6A1 VAL 133 HG13 -0.40 -0.00 -0.21 -0.04 0.97 0.32 2fk6A1 VAL 133 HG23 0.14 -0.02 -0.10 -0.04 0.95 0.93 2fk6A1 THR 134 H 0.10 0.42 0.29 -0.55 8.28 8.55 2fk6A1 THR 134 HA 0.08 0.12 0.86 -0.75 4.39 4.71 2fk6A1 THR 134 HB 0.06 -0.06 -0.06 -0.04 4.32 4.23 2fk6A1 THR 134 HG23 0.08 0.03 0.09 -0.04 1.22 1.37 2fk6A1 ALA 135 H 0.07 0.74 0.34 -0.55 8.40 9.01 2fk6A1 ALA 135 HA 0.04 0.31 1.02 -0.75 4.34 4.96 2fk6A1 ALA 135 HB3 -0.08 -0.01 -0.10 -0.04 1.41 1.19 2fk6A1 VAL 136 H 0.06 0.40 0.30 -0.55 8.24 8.44 2fk6A1 VAL 136 HA 0.14 0.02 0.72 -0.75 4.13 4.25 2fk6A1 VAL 136 HB 0.05 0.04 -0.10 -0.04 2.12 2.07 2fk6A1 VAL 136 HG13 0.03 -0.01 -0.11 -0.04 0.97 0.84 2fk6A1 VAL 136 HG23 0.05 0.02 -0.19 -0.04 0.95 0.79 2fk6A1 SER 137 H 0.06 0.10 0.20 -0.55 8.46 8.26 2fk6A1 SER 137 HA -0.35 0.36 0.85 -0.75 4.49 4.59 2fk6A1 SER 137 HB2 -0.04 -0.05 0.21 -0.04 3.95 4.03 2fk6A1 SER 137 HB3 -0.14 0.06 0.05 -0.04 3.93 3.85 2fk6A1 VAL 138 H -0.23 0.76 0.30 -0.55 8.24 8.52 2fk6A1 VAL 138 HA -0.05 0.09 0.97 -0.75 4.13 4.39 2fk6A1 VAL 138 HB -0.04 -0.01 -0.11 -0.04 2.12 1.92 2fk6A1 VAL 138 HG13 -0.03 0.01 -0.20 -0.04 0.97 0.71 2fk6A1 VAL 138 HG23 -0.09 0.05 -0.40 -0.04 0.95 0.46 2fk6A1 ILE 139 H -0.00 0.16 0.09 -0.55 8.25 7.95 2fk6A1 ILE 139 HA 0.01 0.03 0.58 -0.75 4.18 4.05 2fk6A1 ILE 139 HB 0.04 -0.06 0.25 -0.04 1.89 2.08 2fk6A1 ILE 139 HG12 0.00 -0.01 0.02 -0.04 1.49 1.46 2fk6A1 ILE 139 HG13 0.01 -0.07 0.10 -0.04 1.21 1.21 2fk6A1 ILE 139 HG23 0.05 0.02 0.00 -0.04 0.93 0.96 2fk6A1 ILE 139 HD13 0.01 0.07 0.05 -0.04 0.88 0.97 2fk6A1 HIS 140 H -0.08 0.13 0.30 -0.55 8.41 8.22 2fk6A1 HIS 140 HA -0.13 0.10 0.42 -0.75 4.63 4.27 2fk6A1 HIS 140 HB2 -0.17 0.10 -0.20 -0.04 3.26 2.96 2fk6A1 HIS 140 HB3 -0.31 -0.02 -0.05 -0.04 3.20 2.79 2fk6A1 HIS 140 HD2 -0.79 -0.03 0.02 -0.04 6.97 6.13 2fk6A1 HIS 140 HE1 -0.78 0.01 -0.08 -0.04 7.75 6.86 2fk6A1 GLY 141 H -0.24 -0.11 0.18 -0.55 8.43 7.72 2fk6A1 GLY 141 HA2 -0.33 -0.06 0.40 -0.51 4.01 3.51 2fk6A1 GLY 141 HA3 -0.40 0.27 0.82 -0.51 4.01 4.19 2fk6A1 VAL 142 H -0.15 0.08 0.16 -0.55 8.24 7.78 2fk6A1 VAL 142 HA -0.13 -0.03 0.46 -0.75 4.13 3.67 2fk6A1 VAL 142 HB -0.05 0.02 0.07 -0.04 2.12 2.11 2fk6A1 VAL 142 HG13 -0.06 0.00 0.12 -0.04 0.97 0.99 2fk6A1 VAL 142 HG23 -0.08 0.01 0.08 -0.04 0.95 0.93 2fk6A1 GLU 143 H -0.19 0.04 0.26 -0.55 8.60 8.16 2fk6A1 GLU 143 HA -0.13 -0.03 0.39 -0.75 4.29 3.76 2fk6A1 GLU 143 HB2 -0.01 0.38 0.18 -0.04 2.09 2.60 2fk6A1 GLU 143 HB3 0.10 -0.10 0.32 -0.04 1.99 2.27 2fk6A1 GLU 143 HG2 0.01 -0.05 -0.16 -0.04 2.34 2.11 2fk6A1 GLU 143 HG3 0.06 0.02 0.05 -0.04 2.34 2.42 2fk6A1 ALA 144 H -0.60 0.07 0.18 -0.55 8.40 7.50 2fk6A1 ALA 144 HA -0.06 0.28 1.04 -0.75 4.34 4.84 2fk6A1 ALA 144 HB3 -0.15 0.06 -0.05 -0.04 1.41 1.22 2fk6A1 PHE 145 H 0.12 0.75 0.35 -0.55 8.34 9.00 2fk6A1 PHE 145 HA -0.10 0.29 1.28 -0.75 4.62 5.34 2fk6A1 PHE 145 HB2 -0.39 0.03 -0.06 -0.04 3.15 2.69 2fk6A1 PHE 145 HB3 -0.34 -0.07 0.00 -0.04 3.06 2.61 2fk6A1 PHE 145 HD2 -0.05 0.07 -0.37 -0.04 7.28 6.89 2fk6A1 PHE 145 HE2 0.00 -0.12 -0.15 -0.04 7.38 7.08 2fk6A1 PHE 145 HZ 0.01 0.02 -0.04 -0.04 7.32 7.27 2fk6A1 GLY 146 H 0.01 0.44 0.30 -0.55 8.43 8.64 2fk6A1 GLY 146 HA2 0.05 0.26 0.83 -0.51 4.01 4.64 2fk6A1 GLY 146 HA3 0.02 -0.05 0.27 -0.51 4.01 3.73 2fk6A1 TYR 147 H 0.31 0.53 0.23 -0.55 8.29 8.81 2fk6A1 TYR 147 HA 0.08 0.29 1.11 -0.75 4.56 5.28 2fk6A1 TYR 147 HB2 0.15 -0.07 0.02 -0.04 3.06 3.12 2fk6A1 TYR 147 HB3 -0.02 0.05 -0.13 -0.04 2.98 2.84 2fk6A1 TYR 147 HD2 0.04 0.04 -0.21 -0.04 7.15 6.97 2fk6A1 TYR 147 HE2 0.09 -0.04 -0.51 -0.04 6.85 6.35 2fk6A1 ARG 148 H 0.19 0.70 0.28 -0.55 8.46 9.08 2fk6A1 ARG 148 HA 0.14 0.20 1.06 -0.75 4.34 4.98 2fk6A1 ARG 148 HB2 0.08 0.03 -0.07 -0.04 1.90 1.90 2fk6A1 ARG 148 HB3 0.10 -0.05 0.18 -0.04 1.80 1.99 2fk6A1 ARG 148 HG2 0.09 -0.08 -0.27 -0.04 1.67 1.37 2fk6A1 ARG 148 HG3 0.07 0.04 -0.14 -0.04 1.67 1.61 2fk6A1 ARG 148 HD2 0.04 0.25 0.03 -0.04 3.22 3.50 2fk6A1 ARG 148 HD3 0.06 -0.06 0.02 -0.04 3.22 3.19 2fk6A1 VAL 149 H 0.16 0.71 0.26 -0.55 8.24 8.83 2fk6A1 VAL 149 HA 0.18 0.05 0.77 -0.75 4.13 4.39 2fk6A1 VAL 149 HB 0.18 -0.03 0.21 -0.04 2.12 2.44 2fk6A1 VAL 149 HG13 0.14 -0.00 -0.21 -0.04 0.97 0.86 2fk6A1 VAL 149 HG23 0.31 -0.01 -0.12 -0.04 0.95 1.09 2fk6A1 GLN 150 H 0.23 0.50 0.13 -0.55 8.47 8.79 2fk6A1 GLN 150 HA 0.16 0.22 1.21 -0.75 4.36 5.20 2fk6A1 GLN 150 HB2 0.10 -0.03 -0.00 -0.04 2.15 2.18 2fk6A1 GLN 150 HB3 0.13 0.13 0.27 -0.04 2.02 2.51 2fk6A1 GLN 150 HG2 0.06 -0.09 -0.10 -0.04 2.40 2.23 2fk6A1 GLN 150 HG3 0.07 0.05 -0.70 -0.04 2.39 1.77 2fk6A1 GLN 150 HE21 0.03 -0.00 -0.20 -0.04 6.97 6.76 2fk6A1 GLN 150 HE22 0.04 0.30 -0.13 -0.04 7.69 7.86 2fk6A1 GLU 151 H 0.16 0.70 0.24 -0.55 8.60 9.16 2fk6A1 GLU 151 HA -0.54 0.02 0.66 -0.75 4.29 3.67 2fk6A1 GLU 151 HB2 0.13 -0.12 0.03 -0.04 2.09 2.09 2fk6A1 GLU 151 HB3 -0.01 0.12 0.14 -0.04 1.99 2.20 2fk6A1 GLU 151 HG2 -0.28 0.27 -0.25 -0.04 2.34 2.05 2fk6A1 GLU 151 HG3 -0.77 -0.02 0.02 -0.04 2.34 1.52 2fk6A1 LYS 152 H -0.25 0.76 0.38 -0.55 8.42 8.75 2fk6A1 LYS 152 HA -0.04 -0.01 0.48 -0.75 4.32 3.99 2fk6A1 LYS 152 HB2 -0.09 0.13 0.03 -0.04 1.87 1.90 2fk6A1 LYS 152 HB3 -0.04 -0.06 0.05 -0.04 1.79 1.70 2fk6A1 LYS 152 HG2 -0.00 -0.04 -0.14 -0.04 1.46 1.23 2fk6A1 LYS 152 HG3 -0.04 -0.06 -0.50 -0.04 1.46 0.82 2fk6A1 LYS 152 HD2 -0.02 0.15 -0.15 -0.04 1.69 1.63 2fk6A1 LYS 152 HD3 -0.01 -0.06 -0.07 -0.04 1.68 1.50 2fk6A1 LYS 152 HE2 0.01 -0.10 -0.14 -0.04 2.99 2.73 2fk6A1 LYS 152 HE3 0.02 -0.05 -0.34 -0.04 2.99 2.58 2fk6A1 ASP 153 H -0.03 0.02 0.17 -0.55 8.40 8.00 2fk6A1 ASP 153 HA -0.04 0.05 0.43 -0.75 4.63 4.31 2fk6A1 ASP 153 HB2 -0.02 -0.07 0.06 -0.04 2.71 2.64 2fk6A1 ASP 153 HB3 -0.02 0.12 -0.13 -0.04 2.70 2.63 2fk6A1 VAL 154 H -0.04 0.45 0.25 -0.55 8.24 8.35 2fk6A1 VAL 154 HA -0.04 0.15 0.80 -0.75 4.13 4.28 2fk6A1 VAL 154 HB -0.03 0.02 0.10 -0.04 2.12 2.17 2fk6A1 VAL 154 HG13 -0.07 0.01 0.03 -0.04 0.97 0.89 2fk6A1 VAL 154 HG23 -0.03 -0.01 0.05 -0.04 0.95 0.92 2fk6A1 PRO 155 HA -0.01 0.01 0.47 -0.51 4.44 4.40 2fk6A1 PRO 155 HB2 -0.00 0.04 0.04 -0.04 2.28 2.31 2fk6A1 PRO 155 HB3 -0.01 0.07 0.14 -0.04 2.02 2.18 2fk6A1 PRO 155 HG2 -0.01 0.01 0.09 -0.04 2.03 2.08 2fk6A1 PRO 155 HG3 -0.01 0.04 0.08 -0.04 2.03 2.09 2fk6A1 PRO 155 HD2 -0.01 0.06 0.20 -0.04 3.68 3.89 2fk6A1 PRO 155 HD3 -0.02 0.18 0.28 -0.04 3.65 4.04 2fk6A1 GLY 156 H -0.01 0.11 0.11 -0.55 8.43 8.10 2fk6A1 GLY 156 HA2 -0.01 0.03 0.32 -0.51 4.01 3.85 2fk6A1 GLY 156 HA3 -0.01 0.51 0.12 -0.51 4.01 4.13 2fk6A1 SER 157 H -0.00 0.10 0.13 -0.55 8.46 8.14 2fk6A1 SER 157 HA 0.00 0.08 0.48 -0.75 4.49 4.30 2fk6A1 SER 157 HB2 0.00 0.04 0.15 -0.04 3.95 4.10 2fk6A1 SER 157 HB3 0.01 -0.02 -0.01 -0.04 3.93 3.86 2fk6A1 LEU 158 H 0.01 0.08 0.20 -0.55 8.37 8.11 2fk6A1 LEU 158 HA -0.00 0.27 0.63 -0.75 4.35 4.49 2fk6A1 LEU 158 HB2 -0.00 0.07 0.16 -0.04 1.64 1.83 2fk6A1 LEU 158 HB3 -0.01 -0.12 0.19 -0.04 1.64 1.66 2fk6A1 LEU 158 HG -0.08 0.01 -0.02 -0.04 1.64 1.51 2fk6A1 LEU 158 HD13 -0.25 -0.05 -0.05 -0.04 0.93 0.54 2fk6A1 LEU 158 HD23 -0.08 0.02 -0.04 -0.04 0.89 0.75 2fk6A1 LYS 159 H 0.03 0.76 0.19 -0.55 8.42 8.85 2fk6A1 LYS 159 HA 0.02 0.08 0.43 -0.75 4.32 4.10 2fk6A1 LYS 159 HB2 0.12 -0.04 0.14 -0.04 1.87 2.05 2fk6A1 LYS 159 HB3 0.06 -0.05 0.07 -0.04 1.79 1.84 2fk6A1 LYS 159 HG2 0.04 0.15 -0.30 -0.04 1.46 1.31 2fk6A1 LYS 159 HG3 0.07 -0.02 -0.34 -0.04 1.46 1.14 2fk6A1 LYS 159 HD2 0.02 -0.07 -0.13 -0.04 1.69 1.48 2fk6A1 LYS 159 HD3 0.02 0.05 -0.31 -0.04 1.68 1.40 2fk6A1 LYS 159 HE2 0.04 -0.06 -0.05 -0.04 2.99 2.88 2fk6A1 LYS 159 HE3 0.02 -0.04 -0.07 -0.04 2.99 2.86 2fk6A1 ALA 160 H -0.02 0.77 -0.50 -0.55 8.40 8.10 2fk6A1 ALA 160 HA -0.16 0.03 0.26 -0.75 4.34 3.71 2fk6A1 ALA 160 HB3 0.07 0.02 0.08 -0.04 1.41 1.54 2fk6A1 ASP 161 H 0.01 0.20 -0.21 -0.55 8.40 7.86 2fk6A1 ASP 161 HA 0.02 0.08 0.63 -0.75 4.63 4.60 2fk6A1 ASP 161 HB2 0.01 0.02 0.17 -0.04 2.71 2.87 2fk6A1 ASP 161 HB3 0.02 0.01 0.06 -0.04 2.70 2.76 2fk6A1 VAL 162 H -0.04 0.39 -0.41 -0.55 8.24 7.63 2fk6A1 VAL 162 HA -0.00 0.15 0.76 -0.75 4.13 4.28 2fk6A1 VAL 162 HB 0.03 0.16 0.08 -0.04 2.12 2.35 2fk6A1 VAL 162 HG13 0.10 0.00 -0.07 -0.04 0.97 0.96 2fk6A1 VAL 162 HG23 0.05 -0.02 -0.08 -0.04 0.95 0.86 2fk6A1 LEU 163 H -0.14 0.15 0.01 -0.55 8.37 7.84 2fk6A1 LEU 163 HA -0.38 0.09 0.36 -0.75 4.35 3.67 2fk6A1 LEU 163 HB2 -0.25 0.21 0.21 -0.04 1.64 1.77 2fk6A1 LEU 163 HB3 -0.26 0.06 -0.02 -0.04 1.64 1.38 2fk6A1 LEU 163 HG -0.41 0.02 -0.08 -0.04 1.64 1.13 2fk6A1 LEU 163 HD13 -0.72 -0.01 -0.07 -0.04 0.93 0.09 2fk6A1 LEU 163 HD23 -0.77 0.00 -0.07 -0.04 0.89 0.01 2fk6A1 LYS 164 H -0.01 0.34 -0.01 -0.55 8.42 8.19 2fk6A1 LYS 164 HA 0.04 0.10 0.33 -0.75 4.32 4.04 2fk6A1 LYS 164 HB2 0.02 -0.05 0.04 -0.04 1.87 1.84 2fk6A1 LYS 164 HB3 0.02 0.01 -0.07 -0.04 1.79 1.71 2fk6A1 LYS 164 HG2 0.08 0.02 -0.00 -0.04 1.46 1.51 2fk6A1 LYS 164 HG3 0.12 0.20 0.05 -0.04 1.46 1.79 2fk6A1 LYS 164 HD2 0.04 -0.06 -0.04 -0.04 1.69 1.58 2fk6A1 LYS 164 HD3 0.03 0.01 -0.03 -0.04 1.68 1.65 2fk6A1 LYS 164 HE2 0.05 0.01 -0.02 -0.04 2.99 2.99 2fk6A1 LYS 164 HE3 0.10 -0.04 -0.12 -0.04 2.99 2.89 2fk6A1 GLU 165 H -0.01 0.16 -0.51 -0.55 8.60 7.69 2fk6A1 GLU 165 HA -0.00 0.04 0.36 -0.75 4.29 3.93 2fk6A1 GLU 165 HB2 -0.00 0.08 0.02 -0.04 2.09 2.15 2fk6A1 GLU 165 HB3 0.00 -0.03 0.09 -0.04 1.99 2.01 2fk6A1 GLU 165 HG2 0.00 -0.08 0.06 -0.04 2.34 2.28 2fk6A1 GLU 165 HG3 0.00 0.16 0.13 -0.04 2.34 2.59 2fk6A1 MET 166 H -0.05 0.16 -1.12 -0.55 8.47 6.91 2fk6A1 MET 166 HA -0.02 0.09 0.64 -0.75 4.52 4.48 2fk6A1 MET 166 HB2 -0.13 0.11 0.05 -0.04 2.15 2.14 2fk6A1 MET 166 HB3 -0.07 -0.08 0.10 -0.04 2.03 1.94 2fk6A1 MET 166 HG2 -0.00 -0.05 -0.05 -0.04 2.63 2.48 2fk6A1 MET 166 HG3 -0.05 0.25 -0.06 -0.04 2.56 2.66 2fk6A1 MET 166 HE3 0.12 -0.01 -0.03 -0.04 2.10 2.14 2fk6A1 ASN 167 H -0.01 0.50 -0.55 -0.55 8.53 7.92 2fk6A1 ASN 167 HA -0.00 0.01 0.29 -0.75 4.76 4.31 2fk6A1 ASN 167 HB2 -0.00 -0.01 -0.18 -0.04 2.88 2.64 2fk6A1 ASN 167 HB3 -0.01 0.14 -0.09 -0.04 2.79 2.79 2fk6A1 ASN 167 HD21 -0.00 -0.06 0.03 -0.04 7.03 6.95 2fk6A1 ASN 167 HD22 -0.00 0.02 0.03 -0.04 7.74 7.74 2fk6A1 ILE 168 H 0.01 0.32 -0.11 -0.55 8.25 7.91 2fk6A1 ILE 168 HA 0.02 0.12 0.81 -0.75 4.18 4.37 2fk6A1 ILE 168 HB -0.02 -0.01 -0.00 -0.04 1.89 1.81 2fk6A1 ILE 168 HG12 -0.03 -0.00 -0.16 -0.04 1.49 1.26 2fk6A1 ILE 168 HG13 -0.06 0.20 -0.49 -0.04 1.21 0.82 2fk6A1 ILE 168 HG23 0.07 -0.03 -0.15 -0.04 0.93 0.78 2fk6A1 ILE 168 HD13 -0.17 -0.05 -0.08 -0.04 0.88 0.54 2fk6A1 PRO 169 HA -0.04 0.07 0.34 -0.51 4.44 4.30 2fk6A1 PRO 169 HB2 -0.05 -0.05 -0.04 -0.04 2.28 2.10 2fk6A1 PRO 169 HB3 -0.05 0.05 0.02 -0.04 2.02 2.00 2fk6A1 PRO 169 HG2 -0.02 -0.00 0.02 -0.04 2.03 1.99 2fk6A1 PRO 169 HG3 -0.01 0.05 -0.02 -0.04 2.03 2.01 2fk6A1 PRO 169 HD2 0.01 -0.00 0.10 -0.04 3.68 3.74 2fk6A1 PRO 169 HD3 0.00 0.39 -0.07 -0.04 3.65 3.94 2fk6A1 PRO 170 HA -2.25 0.02 0.51 -0.51 4.44 2.21 2fk6A1 PRO 170 HB2 -0.40 0.01 0.02 -0.04 2.28 1.87 2fk6A1 PRO 170 HB3 -0.35 0.01 0.11 -0.04 2.02 1.75 2fk6A1 PRO 170 HG2 -0.17 0.02 0.14 -0.04 2.03 1.98 2fk6A1 PRO 170 HG3 -0.10 0.03 0.08 -0.04 2.03 1.99 2fk6A1 PRO 170 HD2 -0.09 0.06 0.19 -0.04 3.68 3.80 2fk6A1 PRO 170 HD3 -0.05 0.14 0.14 -0.04 3.65 3.84 2fk6A1 GLY 171 H -0.89 0.24 0.24 -0.55 8.43 7.47 2fk6A1 GLY 171 HA2 -0.17 0.10 0.34 -0.51 4.01 3.77 2fk6A1 GLY 171 HA3 -0.15 0.11 0.38 -0.51 4.01 3.84 2fk6A1 PRO 172 HA 0.02 0.06 0.46 -0.51 4.44 4.47 2fk6A1 PRO 172 HB2 0.02 0.06 0.01 -0.04 2.28 2.33 2fk6A1 PRO 172 HB3 0.00 0.08 0.14 -0.04 2.02 2.20 2fk6A1 PRO 172 HG2 -0.00 -0.07 0.11 -0.04 2.03 2.02 2fk6A1 PRO 172 HG3 -0.01 0.11 0.10 -0.04 2.03 2.19 2fk6A1 PRO 172 HD2 -0.05 0.17 0.22 -0.04 3.68 3.98 2fk6A1 PRO 172 HD3 -0.03 0.17 0.20 -0.04 3.65 3.95 2fk6A1 VAL 173 H 0.04 0.18 -0.17 -0.55 8.24 7.74 2fk6A1 VAL 173 HA 0.06 0.03 0.26 -0.75 4.13 3.73 2fk6A1 VAL 173 HB 0.05 0.00 0.05 -0.04 2.12 2.18 2fk6A1 VAL 173 HG13 0.18 -0.00 -0.25 -0.04 0.97 0.85 2fk6A1 VAL 173 HG23 0.06 -0.00 -0.05 -0.04 0.95 0.92 2fk6A1 TYR 174 H 0.21 0.50 -0.92 -0.55 8.29 7.53 2fk6A1 TYR 174 HA -0.01 0.08 0.58 -0.75 4.56 4.46 2fk6A1 TYR 174 HB2 -0.01 0.37 0.27 -0.04 3.06 3.65 2fk6A1 TYR 174 HB3 -0.00 -0.02 0.03 -0.04 2.98 2.94 2fk6A1 TYR 174 HD2 -0.02 -0.04 -0.11 -0.04 7.15 6.94 2fk6A1 TYR 174 HE2 -0.04 0.07 -0.15 -0.04 6.85 6.69 2fk6A1 GLN 175 H 0.13 0.27 0.17 -0.55 8.47 8.49 2fk6A1 GLN 175 HA 0.06 0.04 0.37 -0.75 4.36 4.08 2fk6A1 GLN 175 HB2 0.04 0.04 0.06 -0.04 2.15 2.25 2fk6A1 GLN 175 HB3 0.05 0.00 0.13 -0.04 2.02 2.16 2fk6A1 GLN 175 HG2 0.05 0.05 0.19 -0.04 2.40 2.65 2fk6A1 GLN 175 HG3 0.04 0.01 -0.07 -0.04 2.39 2.32 2fk6A1 GLN 175 HE21 0.02 0.01 0.01 -0.04 6.97 6.97 2fk6A1 GLN 175 HE22 0.03 -0.04 0.04 -0.04 7.69 7.67 2fk6A1 LYS 176 H 0.06 0.24 -0.54 -0.55 8.42 7.62 2fk6A1 LYS 176 HA 0.03 0.08 0.42 -0.75 4.32 4.09 2fk6A1 LYS 176 HB2 0.04 0.11 -0.03 -0.04 1.87 1.95 2fk6A1 LYS 176 HB3 0.03 -0.00 -0.08 -0.04 1.79 1.69 2fk6A1 LYS 176 HG2 0.04 0.01 -0.13 -0.04 1.46 1.34 2fk6A1 LYS 176 HG3 0.03 -0.01 -0.07 -0.04 1.46 1.37 2fk6A1 LYS 176 HD2 0.02 -0.00 -0.06 -0.04 1.69 1.61 2fk6A1 LYS 176 HD3 0.02 0.03 -0.03 -0.04 1.68 1.66 2fk6A1 LYS 176 HE2 0.03 -0.13 -0.69 -0.04 2.99 2.16 2fk6A1 LYS 176 HE3 0.03 -0.01 -0.14 -0.04 2.99 2.83 2fk6A1 ILE 177 H 0.03 0.36 -0.22 -0.55 8.25 7.87 2fk6A1 ILE 177 HA 0.03 0.07 0.41 -0.75 4.18 3.94 2fk6A1 ILE 177 HB -0.08 0.16 0.24 -0.04 1.89 2.17 2fk6A1 ILE 177 HG12 0.03 -0.10 0.01 -0.04 1.49 1.38 2fk6A1 ILE 177 HG13 0.02 0.42 0.22 -0.04 1.21 1.83 2fk6A1 ILE 177 HG23 0.03 -0.04 -0.07 -0.04 0.93 0.81 2fk6A1 ILE 177 HD13 -0.13 -0.06 -0.06 -0.04 0.88 0.59 2fk6A1 LYS 178 H 0.01 0.47 -0.06 -0.55 8.42 8.28 2fk6A1 LYS 178 HA 0.00 0.06 0.32 -0.75 4.32 3.95 2fk6A1 LYS 178 HB2 0.01 -0.09 0.05 -0.04 1.87 1.80 2fk6A1 LYS 178 HB3 0.02 0.05 0.10 -0.04 1.79 1.93 2fk6A1 LYS 178 HG2 0.02 -0.06 -0.00 -0.04 1.46 1.37 2fk6A1 LYS 178 HG3 0.01 0.05 -0.11 -0.04 1.46 1.37 2fk6A1 LYS 178 HD2 0.00 0.11 0.08 -0.04 1.69 1.85 2fk6A1 LYS 178 HD3 0.01 -0.16 0.06 -0.04 1.68 1.54 2fk6A1 LYS 178 HE2 0.00 0.02 -0.04 -0.04 2.99 2.94 2fk6A1 LYS 178 HE3 0.01 0.11 -0.02 -0.04 2.99 3.04 2fk6A1 LYS 179 H 0.02 0.22 -0.95 -0.55 8.42 7.15 2fk6A1 LYS 179 HA 0.01 0.15 0.70 -0.75 4.32 4.43 2fk6A1 LYS 179 HB2 0.02 0.14 0.17 -0.04 1.87 2.16 2fk6A1 LYS 179 HB3 0.01 -0.09 0.21 -0.04 1.79 1.88 2fk6A1 LYS 179 HG2 0.01 -0.02 0.02 -0.04 1.46 1.43 2fk6A1 LYS 179 HG3 0.02 0.10 -0.04 -0.04 1.46 1.50 2fk6A1 LYS 179 HD2 0.02 -0.05 -0.03 -0.04 1.69 1.58 2fk6A1 LYS 179 HD3 0.02 -0.03 -0.04 -0.04 1.68 1.59 2fk6A1 LYS 179 HE2 0.02 -0.05 -0.00 -0.04 2.99 2.91 2fk6A1 LYS 179 HE3 0.01 -0.01 0.05 -0.04 2.99 3.00 2fk6A1 GLY 180 H 0.01 0.60 -0.40 -0.55 8.43 8.10 2fk6A1 GLY 180 HA2 0.00 -0.07 0.20 -0.51 4.01 3.63 2fk6A1 GLY 180 HA3 0.00 0.08 0.37 -0.51 4.01 3.96 2fk6A1 GLU 181 H 0.02 0.20 -0.83 -0.55 8.60 7.44 2fk6A1 GLU 181 HA 0.01 -0.00 0.35 -0.75 4.29 3.90 2fk6A1 GLU 181 HB2 0.02 0.10 -0.09 -0.04 2.09 2.08 2fk6A1 GLU 181 HB3 0.02 0.00 -0.09 -0.04 1.99 1.88 2fk6A1 GLU 181 HG2 0.01 -0.03 0.03 -0.04 2.34 2.31 2fk6A1 GLU 181 HG3 0.01 0.14 0.02 -0.04 2.34 2.48 2fk6A1 THR 182 H 0.02 0.15 0.21 -0.55 8.28 8.10 2fk6A1 THR 182 HA 0.04 0.09 1.00 -0.75 4.39 4.76 2fk6A1 THR 182 HB 0.02 0.05 0.01 -0.04 4.32 4.37 2fk6A1 THR 182 HG23 0.01 -0.02 0.05 -0.04 1.22 1.22 2fk6A1 VAL 183 H 0.04 0.37 0.28 -0.55 8.24 8.39 2fk6A1 VAL 183 HA 0.02 0.25 1.07 -0.75 4.13 4.72 2fk6A1 VAL 183 HB 0.03 -0.01 0.02 -0.04 2.12 2.11 2fk6A1 VAL 183 HG13 0.03 0.01 -0.34 -0.04 0.97 0.62 2fk6A1 VAL 183 HG23 0.04 0.01 -0.10 -0.04 0.95 0.86 2fk6A1 THR 184 H 0.02 0.17 0.14 -0.55 8.28 8.06 2fk6A1 THR 184 HA 0.02 0.34 0.93 -0.75 4.39 4.92 2fk6A1 THR 184 HB 0.01 -0.06 0.13 -0.04 4.32 4.36 2fk6A1 THR 184 HG23 0.01 0.04 -0.15 -0.04 1.22 1.08 2fk6A1 LEU 185 H 0.02 1.17 0.29 -0.55 8.37 9.31 2fk6A1 LEU 185 HA 0.02 0.10 0.55 -0.75 4.35 4.26 2fk6A1 LEU 185 HB2 0.01 -0.12 0.06 -0.04 1.64 1.55 2fk6A1 LEU 185 HB3 0.01 -0.04 0.08 -0.04 1.64 1.65 2fk6A1 LEU 185 HG 0.02 0.06 -0.17 -0.04 1.64 1.50 2fk6A1 LEU 185 HD13 -0.00 0.01 -0.12 -0.04 0.93 0.77 2fk6A1 LEU 185 HD23 0.02 0.01 -0.08 -0.04 0.89 0.81 2fk6A1 GLU 186 H 0.01 0.18 0.16 -0.55 8.60 8.40 2fk6A1 GLU 186 HA 0.01 0.09 0.40 -0.75 4.29 4.02 2fk6A1 GLU 186 HB2 0.00 0.01 0.15 -0.04 2.09 2.21 2fk6A1 GLU 186 HB3 0.00 0.00 0.11 -0.04 1.99 2.07 2fk6A1 GLU 186 HG2 -0.00 0.02 -0.01 -0.04 2.34 2.31 2fk6A1 GLU 186 HG3 0.00 0.03 -0.15 -0.04 2.34 2.18 2fk6A1 ASP 187 H 0.01 0.00 -0.53 -0.55 8.40 7.33 2fk6A1 ASP 187 HA 0.00 0.21 0.74 -0.75 4.63 4.83 2fk6A1 ASP 187 HB2 0.00 0.04 0.14 -0.04 2.71 2.86 2fk6A1 ASP 187 HB3 0.00 0.01 0.03 -0.04 2.70 2.70 2fk6A1 GLY 188 H 0.01 0.38 -0.45 -0.55 8.43 7.82 2fk6A1 GLY 188 HA2 0.01 0.03 0.25 -0.51 4.01 3.79 2fk6A1 GLY 188 HA3 0.01 -0.01 0.29 -0.51 4.01 3.79 2fk6A1 ARG 189 H 0.01 -0.08 -0.64 -0.55 8.46 7.20 2fk6A1 ARG 189 HA 0.01 0.16 0.68 -0.75 4.34 4.44 2fk6A1 ARG 189 HB2 0.01 0.11 -0.03 -0.04 1.90 1.95 2fk6A1 ARG 189 HB3 0.01 -0.17 -0.02 -0.04 1.80 1.58 2fk6A1 ARG 189 HG2 0.01 0.00 -0.11 -0.04 1.67 1.53 2fk6A1 ARG 189 HG3 0.02 -0.01 -0.01 -0.04 1.67 1.63 2fk6A1 ARG 189 HD2 0.01 0.00 0.03 -0.04 3.22 3.23 2fk6A1 ARG 189 HD3 0.01 0.01 0.00 -0.04 3.22 3.20 2fk6A1 ILE 190 H 0.02 0.23 0.17 -0.55 8.25 8.13 2fk6A1 ILE 190 HA 0.03 0.44 1.18 -0.75 4.18 5.07 2fk6A1 ILE 190 HB 0.03 0.00 -0.04 -0.04 1.89 1.84 2fk6A1 ILE 190 HG12 0.03 -0.02 0.14 -0.04 1.49 1.60 2fk6A1 ILE 190 HG13 0.02 -0.01 0.01 -0.04 1.21 1.19 2fk6A1 ILE 190 HG23 0.02 0.01 -0.21 -0.04 0.93 0.71 2fk6A1 ILE 190 HD13 0.02 -0.02 0.13 -0.04 0.88 0.97 2fk6A1 ILE 191 H 0.05 0.42 0.25 -0.55 8.25 8.42 2fk6A1 ILE 191 HA 0.13 0.20 0.88 -0.75 4.18 4.63 2fk6A1 ILE 191 HB 0.39 0.01 -0.05 -0.04 1.89 2.19 2fk6A1 ILE 191 HG12 0.09 -0.09 -0.08 -0.04 1.49 1.37 2fk6A1 ILE 191 HG13 -0.01 0.04 -0.11 -0.04 1.21 1.09 2fk6A1 ILE 191 HG23 0.04 0.01 -0.21 -0.04 0.93 0.73 2fk6A1 ILE 191 HD13 0.03 0.02 -0.09 -0.04 0.88 0.80 2fk6A1 ASN 192 H 0.11 0.20 0.08 -0.55 8.53 8.37 2fk6A1 ASN 192 HA 0.04 0.18 1.03 -0.75 4.76 5.26 2fk6A1 ASN 192 HB2 -0.00 0.03 0.04 -0.04 2.88 2.91 2fk6A1 ASN 192 HB3 -0.06 -0.03 0.21 -0.04 2.79 2.87 2fk6A1 ASN 192 HD21 -0.01 0.04 -0.00 -0.04 7.03 7.01 2fk6A1 ASN 192 HD22 -0.01 -0.01 -0.00 -0.04 7.74 7.68 2fk6A1 GLY 193 H 0.07 0.47 0.09 -0.55 8.43 8.51 2fk6A1 GLY 193 HA2 0.16 -0.08 0.27 -0.51 4.01 3.85 2fk6A1 GLY 193 HA3 0.05 0.21 0.27 -0.51 4.01 4.03 2fk6A1 ASN 194 H -0.01 0.23 -0.30 -0.55 8.53 7.91 2fk6A1 ASN 194 HA -0.03 0.06 0.33 -0.75 4.76 4.37 2fk6A1 ASN 194 HB2 -0.05 -0.05 0.04 -0.04 2.88 2.78 2fk6A1 ASN 194 HB3 -0.05 0.00 0.03 -0.04 2.79 2.74 2fk6A1 ASN 194 HD21 -0.01 -0.00 0.04 -0.04 7.03 7.01 2fk6A1 ASN 194 HD22 -0.02 -0.10 0.03 -0.04 7.74 7.61 2fk6A1 ASP 195 H -0.19 0.71 -0.12 -0.55 8.40 8.25 2fk6A1 ASP 195 HA -0.26 0.02 0.40 -0.75 4.63 4.03 2fk6A1 ASP 195 HB2 -0.87 0.05 0.06 -0.04 2.71 1.91 2fk6A1 ASP 195 HB3 -0.88 -0.04 0.01 -0.04 2.70 1.75 2fk6A1 PHE 196 H -0.16 0.52 -0.31 -0.55 8.34 7.84 2fk6A1 PHE 196 HA -0.04 0.15 0.80 -0.75 4.62 4.78 2fk6A1 PHE 196 HB2 -0.08 0.06 0.07 -0.04 3.15 3.16 2fk6A1 PHE 196 HB3 -0.08 -0.12 0.10 -0.04 3.06 2.93 2fk6A1 PHE 196 HD2 -0.05 0.03 -0.16 -0.04 7.28 7.06 2fk6A1 PHE 196 HE2 -0.02 -0.07 -0.13 -0.04 7.38 7.11 2fk6A1 PHE 196 HZ -0.02 0.00 -0.07 -0.04 7.32 7.20 2fk6A1 LEU 197 H -0.05 0.39 -0.35 -0.55 8.37 7.81 2fk6A1 LEU 197 HA 0.02 0.11 0.99 -0.75 4.35 4.72 2fk6A1 LEU 197 HB2 -0.02 0.15 0.04 -0.04 1.64 1.77 2fk6A1 LEU 197 HB3 -0.01 0.06 -0.04 -0.04 1.64 1.62 2fk6A1 LEU 197 HG 0.02 0.04 -0.47 -0.04 1.64 1.20 2fk6A1 LEU 197 HD13 -0.00 -0.05 -0.14 -0.04 0.93 0.69 2fk6A1 LEU 197 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 2fk6A1 GLU 198 H 0.00 0.42 0.06 -0.55 8.60 8.54 2fk6A1 GLU 198 HA -0.01 0.11 0.67 -0.75 4.29 4.31 2fk6A1 GLU 198 HB2 -0.00 -0.12 0.15 -0.04 2.09 2.08 2fk6A1 GLU 198 HB3 -0.00 0.09 0.09 -0.04 1.99 2.13 2fk6A1 GLU 198 HG2 0.01 0.01 -0.13 -0.04 2.34 2.19 2fk6A1 GLU 198 HG3 0.00 -0.09 -0.03 -0.04 2.34 2.19 2fk6A1 PRO 199 HA -0.01 0.09 0.45 -0.51 4.44 4.46 2fk6A1 PRO 199 HB2 -0.01 0.10 0.01 -0.04 2.28 2.34 2fk6A1 PRO 199 HB3 -0.01 -0.01 0.13 -0.04 2.02 2.09 2fk6A1 PRO 199 HG2 -0.01 0.02 0.09 -0.04 2.03 2.09 2fk6A1 PRO 199 HG3 -0.01 0.01 0.09 -0.04 2.03 2.08 2fk6A1 PRO 199 HD2 -0.01 0.02 0.25 -0.04 3.68 3.91 2fk6A1 PRO 199 HD3 -0.01 0.15 0.20 -0.04 3.65 3.94 2fk6A1 PRO 200 HA -0.01 0.03 0.34 -0.51 4.44 4.29 2fk6A1 PRO 200 HB2 -0.01 -0.05 -0.07 -0.04 2.28 2.10 2fk6A1 PRO 200 HB3 -0.01 0.18 -0.04 -0.04 2.02 2.10 2fk6A1 PRO 200 HG2 -0.01 0.00 0.04 -0.04 2.03 2.02 2fk6A1 PRO 200 HG3 -0.01 0.00 0.10 -0.04 2.03 2.08 2fk6A1 PRO 200 HD2 -0.01 0.06 0.17 -0.04 3.68 3.86 2fk6A1 PRO 200 HD3 -0.01 0.11 0.24 -0.04 3.65 3.94 2fk6A1 LYS 201 H -0.01 0.34 0.05 -0.55 8.42 8.23 2fk6A1 LYS 201 HA -0.01 0.05 0.61 -0.75 4.32 4.21 2fk6A1 LYS 201 HB2 -0.01 -0.03 0.08 -0.04 1.87 1.87 2fk6A1 LYS 201 HB3 -0.01 0.04 0.11 -0.04 1.79 1.88 2fk6A1 LYS 201 HG2 -0.02 -0.10 -0.28 -0.04 1.46 1.01 2fk6A1 LYS 201 HG3 -0.01 0.17 -0.13 -0.04 1.46 1.44 2fk6A1 LYS 201 HD2 -0.01 -0.03 0.02 -0.04 1.69 1.62 2fk6A1 LYS 201 HD3 -0.02 -0.03 0.00 -0.04 1.68 1.60 2fk6A1 LYS 201 HE2 -0.01 0.10 0.01 -0.04 2.99 3.04 2fk6A1 LYS 201 HE3 -0.01 -0.07 0.04 -0.04 2.99 2.91 2fk6A1 LYS 202 H -0.01 0.13 0.15 -0.55 8.42 8.13 2fk6A1 LYS 202 HA -0.01 -0.03 0.43 -0.75 4.32 3.95 2fk6A1 LYS 202 HB2 -0.00 0.02 0.07 -0.04 1.87 1.91 2fk6A1 LYS 202 HB3 -0.00 0.06 0.02 -0.04 1.79 1.83 2fk6A1 LYS 202 HG2 -0.01 0.05 0.07 -0.04 1.46 1.53 2fk6A1 LYS 202 HG3 -0.00 -0.01 0.04 -0.04 1.46 1.44 2fk6A1 LYS 202 HD2 -0.00 0.00 0.02 -0.04 1.69 1.67 2fk6A1 LYS 202 HD3 -0.01 -0.02 0.03 -0.04 1.68 1.64 2fk6A1 LYS 202 HE2 -0.00 -0.04 -0.01 -0.04 2.99 2.90 2fk6A1 LYS 202 HE3 -0.01 0.06 -0.05 -0.04 2.99 2.95 2fk6A1 GLY 203 H -0.02 0.05 0.13 -0.55 8.43 8.04 2fk6A1 GLY 203 HA2 -0.04 0.04 0.62 -0.51 4.01 4.13 2fk6A1 GLY 203 HA3 -0.05 0.23 0.04 -0.51 4.01 3.72 2fk6A1 ARG 204 H -0.01 0.07 0.12 -0.55 8.46 8.09 2fk6A1 ARG 204 HA 0.02 0.09 0.43 -0.75 4.34 4.13 2fk6A1 ARG 204 HB2 0.04 -0.02 0.07 -0.04 1.90 1.94 2fk6A1 ARG 204 HB3 0.03 -0.04 -0.02 -0.04 1.80 1.72 2fk6A1 ARG 204 HG2 0.01 0.03 -0.18 -0.04 1.67 1.48 2fk6A1 ARG 204 HG3 0.01 0.00 -0.01 -0.04 1.67 1.63 2fk6A1 ARG 204 HD2 0.00 -0.08 -0.36 -0.04 3.22 2.74 2fk6A1 ARG 204 HD3 -0.00 -0.03 0.01 -0.04 3.22 3.17 2fk6A1 SER 205 H 0.02 0.16 0.25 -0.55 8.46 8.35 2fk6A1 SER 205 HA 0.08 0.31 0.96 -0.75 4.49 5.09 2fk6A1 SER 205 HB2 0.04 0.02 -0.02 -0.04 3.95 3.95 2fk6A1 SER 205 HB3 0.05 0.13 -0.02 -0.04 3.93 4.05 2fk6A1 VAL 206 H 0.05 0.60 0.37 -0.55 8.24 8.70 2fk6A1 VAL 206 HA -0.12 0.21 1.15 -0.75 4.13 4.62 2fk6A1 VAL 206 HB -0.05 -0.03 0.08 -0.04 2.12 2.07 2fk6A1 VAL 206 HG13 -0.70 -0.02 -0.15 -0.04 0.97 0.05 2fk6A1 VAL 206 HG23 -0.09 -0.01 -0.13 -0.04 0.95 0.67 2fk6A1 VAL 207 H -0.28 0.71 0.48 -0.55 8.24 8.60 2fk6A1 VAL 207 HA 0.02 0.29 1.21 -0.75 4.13 4.89 2fk6A1 VAL 207 HB -0.09 -0.11 0.09 -0.04 2.12 1.97 2fk6A1 VAL 207 HG13 0.02 0.01 -0.26 -0.04 0.97 0.71 2fk6A1 VAL 207 HG23 -0.01 0.00 -0.22 -0.04 0.95 0.69 2fk6A1 PHE 208 H 0.29 0.83 0.26 -0.55 8.34 9.16 2fk6A1 PHE 208 HA -0.06 0.26 1.04 -0.75 4.62 5.11 2fk6A1 PHE 208 HB2 0.13 -0.07 0.20 -0.04 3.15 3.36 2fk6A1 PHE 208 HB3 0.01 -0.06 0.07 -0.04 3.06 3.05 2fk6A1 PHE 208 HD2 -0.24 0.04 -0.10 -0.04 7.28 6.94 2fk6A1 PHE 208 HE2 -0.59 0.00 -0.18 -0.04 7.38 6.57 2fk6A1 PHE 208 HZ -0.81 0.02 -0.17 -0.04 7.32 6.32 2fk6A1 SER 209 H -0.03 0.55 0.16 -0.55 8.46 8.60 2fk6A1 SER 209 HA -0.02 0.01 0.39 -0.75 4.49 4.12 2fk6A1 SER 209 HB2 -0.31 -0.03 -0.04 -0.04 3.95 3.53 2fk6A1 SER 209 HB3 -0.28 0.02 0.01 -0.04 3.93 3.64 2fk6A1 GLY 210 H 0.08 0.01 -0.20 -0.55 8.43 7.77 2fk6A1 GLY 210 HA2 0.14 -0.06 0.22 -0.51 4.01 3.80 2fk6A1 GLY 210 HA3 0.13 0.22 0.46 -0.51 4.01 4.32 2fk6A1 ASP 211 H 0.10 0.12 0.09 -0.55 8.40 8.17 2fk6A1 ASP 211 HA -0.16 0.05 0.76 -0.75 4.63 4.52 2fk6A1 ASP 211 HB2 -0.67 -0.02 0.11 -0.04 2.71 2.10 2fk6A1 ASP 211 HB3 -1.14 0.13 -0.02 -0.04 2.70 1.64 2fk6A1 THR 212 H -0.02 0.16 0.15 -0.55 8.28 8.02 2fk6A1 THR 212 HA 0.06 0.28 0.44 -0.75 4.39 4.41 2fk6A1 THR 212 HB -0.05 0.11 -0.33 -0.04 4.32 4.00 2fk6A1 THR 212 HG23 -0.08 -0.03 -0.41 -0.04 1.22 0.66 2fk6A1 ARG 213 H 0.09 0.40 0.26 -0.55 8.46 8.65 2fk6A1 ARG 213 HA 0.11 0.40 0.46 -0.75 4.34 4.56 2fk6A1 ARG 213 HB2 -0.05 -0.00 -0.01 -0.04 1.90 1.79 2fk6A1 ARG 213 HB3 0.00 -0.07 0.11 -0.04 1.80 1.80 2fk6A1 ARG 213 HG2 0.01 0.11 -0.02 -0.04 1.67 1.73 2fk6A1 ARG 213 HG3 -0.01 -0.04 0.09 -0.04 1.67 1.67 2fk6A1 ARG 213 HD2 -0.16 -0.04 0.02 -0.04 3.22 3.00 2fk6A1 ARG 213 HD3 -0.13 -0.07 0.04 -0.04 3.22 3.02 2fk6A1 VAL 214 H 0.09 0.10 0.11 -0.55 8.24 7.99 2fk6A1 VAL 214 HA 0.11 0.01 0.30 -0.75 4.13 3.80 2fk6A1 VAL 214 HB 0.05 0.03 -0.10 -0.04 2.12 2.05 2fk6A1 VAL 214 HG13 0.05 -0.00 0.03 -0.04 0.97 1.01 2fk6A1 VAL 214 HG23 0.06 0.00 0.10 -0.04 0.95 1.08 2fk6A1 SER 215 H 0.07 0.19 0.18 -0.55 8.46 8.36 2fk6A1 SER 215 HA 0.03 0.18 0.91 -0.75 4.49 4.86 2fk6A1 SER 215 HB2 0.02 0.18 -0.04 -0.04 3.95 4.07 2fk6A1 SER 215 HB3 0.02 0.00 0.09 -0.04 3.93 4.00 2fk6A1 ASP 216 H 0.02 0.20 0.16 -0.55 8.40 8.23 2fk6A1 ASP 216 HA 0.02 0.18 0.59 -0.75 4.63 4.66 2fk6A1 ASP 216 HB2 0.02 -0.02 0.13 -0.04 2.71 2.79 2fk6A1 ASP 216 HB3 0.01 0.07 -0.04 -0.04 2.70 2.70 2fk6A1 LYS 217 H 0.01 0.04 -0.02 -0.55 8.42 7.90 2fk6A1 LYS 217 HA 0.01 0.13 0.39 -0.75 4.32 4.10 2fk6A1 LYS 217 HB2 0.00 -0.09 0.14 -0.04 1.87 1.88 2fk6A1 LYS 217 HB3 0.01 0.07 0.01 -0.04 1.79 1.84 2fk6A1 LYS 217 HG2 0.01 -0.11 0.10 -0.04 1.46 1.41 2fk6A1 LYS 217 HG3 -0.00 0.12 0.09 -0.04 1.46 1.62 2fk6A1 LYS 217 HD2 0.01 0.02 0.04 -0.04 1.69 1.72 2fk6A1 LYS 217 HD3 0.01 0.00 0.03 -0.04 1.68 1.68 2fk6A1 LYS 217 HE2 0.02 0.00 0.05 -0.04 2.99 3.02 2fk6A1 LYS 217 HE3 0.02 0.01 0.04 -0.04 2.99 3.03 2fk6A1 LEU 218 H 0.01 0.04 -0.23 -0.55 8.37 7.64 2fk6A1 LEU 218 HA 0.01 0.06 0.16 -0.75 4.35 3.83 2fk6A1 LEU 218 HB2 0.00 -0.04 0.01 -0.04 1.64 1.57 2fk6A1 LEU 218 HB3 0.03 0.10 -0.05 -0.04 1.64 1.68 2fk6A1 LEU 218 HG -0.00 0.03 -0.19 -0.04 1.64 1.44 2fk6A1 LEU 218 HD13 -0.03 -0.00 -0.09 -0.04 0.93 0.77 2fk6A1 LEU 218 HD23 -0.08 0.00 -0.12 -0.04 0.89 0.65 2fk6A1 LYS 219 H 0.02 0.20 -0.49 -0.55 8.42 7.59 2fk6A1 LYS 219 HA 0.01 0.03 0.26 -0.75 4.32 3.86 2fk6A1 LYS 219 HB2 0.02 -0.03 0.12 -0.04 1.87 1.93 2fk6A1 LYS 219 HB3 0.01 0.16 0.12 -0.04 1.79 2.04 2fk6A1 LYS 219 HG2 0.00 0.06 -0.26 -0.04 1.46 1.23 2fk6A1 LYS 219 HG3 0.00 0.01 -0.07 -0.04 1.46 1.36 2fk6A1 LYS 219 HD2 0.01 0.00 -0.08 -0.04 1.69 1.58 2fk6A1 LYS 219 HD3 0.01 0.09 -0.15 -0.04 1.68 1.58 2fk6A1 LYS 219 HE2 0.01 -0.01 -0.07 -0.04 2.99 2.88 2fk6A1 LYS 219 HE3 0.01 -0.07 -0.02 -0.04 2.99 2.87 2fk6A1 GLU 220 H 0.02 0.47 -0.18 -0.55 8.60 8.37 2fk6A1 GLU 220 HA 0.01 0.07 0.44 -0.75 4.29 4.06 2fk6A1 GLU 220 HB2 0.02 0.05 0.12 -0.04 2.09 2.24 2fk6A1 GLU 220 HB3 0.02 -0.04 0.04 -0.04 1.99 1.96 2fk6A1 GLU 220 HG2 0.01 0.21 0.10 -0.04 2.34 2.63 2fk6A1 GLU 220 HG3 0.02 -0.09 0.01 -0.04 2.34 2.24 2fk6A1 LEU 221 H 0.02 0.37 -0.21 -0.55 8.37 8.00 2fk6A1 LEU 221 HA 0.03 0.02 0.34 -0.75 4.35 3.99 2fk6A1 LEU 221 HB2 0.03 -0.09 -0.11 -0.04 1.64 1.43 2fk6A1 LEU 221 HB3 0.02 0.08 -0.04 -0.04 1.64 1.66 2fk6A1 LEU 221 HG 0.05 0.02 -0.35 -0.04 1.64 1.33 2fk6A1 LEU 221 HD13 0.06 0.00 -0.13 -0.04 0.93 0.82 2fk6A1 LEU 221 HD23 0.06 -0.04 -0.43 -0.04 0.89 0.44 2fk6A1 ALA 222 H 0.01 0.47 -0.33 -0.55 8.40 8.00 2fk6A1 ALA 222 HA 0.01 0.12 0.54 -0.75 4.34 4.25 2fk6A1 ALA 222 HB3 -0.02 -0.03 -0.05 -0.04 1.41 1.28 2fk6A1 ARG 223 H 0.01 0.31 -0.60 -0.55 8.46 7.63 2fk6A1 ARG 223 HA 0.01 0.15 0.40 -0.75 4.34 4.15 2fk6A1 ARG 223 HB2 0.01 0.04 0.16 -0.04 1.90 2.08 2fk6A1 ARG 223 HB3 0.02 -0.04 0.09 -0.04 1.80 1.82 2fk6A1 ARG 223 HG2 0.02 -0.10 -0.03 -0.04 1.67 1.52 2fk6A1 ARG 223 HG3 0.02 0.05 -0.27 -0.04 1.67 1.43 2fk6A1 ARG 223 HD2 0.02 -0.04 0.01 -0.04 3.22 3.16 2fk6A1 ARG 223 HD3 0.01 0.20 0.14 -0.04 3.22 3.53 2fk6A1 ASP 224 H 0.02 0.69 0.19 -0.55 8.40 8.75 2fk6A1 ASP 224 HA 0.03 0.24 0.29 -0.75 4.63 4.43 2fk6A1 ASP 224 HB2 0.02 0.11 -0.14 -0.04 2.71 2.66 2fk6A1 ASP 224 HB3 0.02 -0.06 0.13 -0.04 2.70 2.74 2fk6A1 CYS 225 H 0.01 0.37 -1.21 -0.55 8.50 7.12 2fk6A1 CYS 225 HA 0.01 -0.02 0.19 -0.75 4.58 4.01 2fk6A1 CYS 225 HB2 -0.01 -0.11 -0.14 -0.04 2.97 2.67 2fk6A1 CYS 225 HB3 -0.00 0.24 -0.13 -0.04 2.97 3.03 2fk6A1 ASP 226 H -0.00 0.26 0.27 -0.55 8.40 8.38 2fk6A1 ASP 226 HA 0.02 0.16 0.81 -0.75 4.63 4.86 2fk6A1 ASP 226 HB2 -0.01 0.27 0.40 -0.04 2.71 3.33 2fk6A1 ASP 226 HB3 0.00 -0.03 0.08 -0.04 2.70 2.72 2fk6A1 VAL 227 H -0.05 0.40 0.34 -0.55 8.24 8.38 2fk6A1 VAL 227 HA -0.02 0.30 0.94 -0.75 4.13 4.59 2fk6A1 VAL 227 HB -0.10 -0.06 0.12 -0.04 2.12 2.04 2fk6A1 VAL 227 HG13 -0.08 -0.04 -0.30 -0.04 0.97 0.51 2fk6A1 VAL 227 HG23 -0.01 0.01 -0.19 -0.04 0.95 0.72 2fk6A1 MET 228 H -0.06 0.60 0.17 -0.55 8.47 8.64 2fk6A1 MET 228 HA -0.14 0.12 1.00 -0.75 4.52 4.74 2fk6A1 MET 228 HB2 -0.07 0.08 -0.07 -0.04 2.15 2.05 2fk6A1 MET 228 HB3 -0.08 0.06 0.17 -0.04 2.03 2.13 2fk6A1 MET 228 HG2 0.01 -0.07 -0.51 -0.04 2.63 2.02 2fk6A1 MET 228 HG3 -0.03 -0.00 -0.19 -0.04 2.56 2.30 2fk6A1 MET 228 HE3 -0.02 0.03 -0.23 -0.04 2.10 1.84 2fk6A1 VAL 229 H -0.31 0.80 0.27 -0.55 8.24 8.45 2fk6A1 VAL 229 HA 0.01 0.10 0.73 -0.75 4.13 4.22 2fk6A1 VAL 229 HB -0.33 -0.00 0.33 -0.04 2.12 2.07 2fk6A1 VAL 229 HG13 0.21 -0.03 -0.12 -0.04 0.97 1.00 2fk6A1 VAL 229 HG23 -0.26 0.00 -0.03 -0.04 0.95 0.62 2fk6A1 HIS 230 H 0.08 0.67 0.35 -0.55 8.41 8.97 2fk6A1 HIS 230 HA 0.00 0.05 0.98 -0.75 4.63 4.91 2fk6A1 HIS 230 HB2 -0.05 0.06 -0.17 -0.04 3.26 3.05 2fk6A1 HIS 230 HB3 -0.04 -0.03 -0.06 -0.04 3.20 3.02 2fk6A1 HIS 230 HD2 -0.04 0.04 -0.10 -0.04 6.97 6.82 2fk6A1 HIS 230 HE1 0.03 0.01 -0.06 -0.04 7.75 7.68 2fk6A1 GLU 231 H -0.12 0.20 0.12 -0.55 8.60 8.26 2fk6A1 GLU 231 HA 0.12 0.19 0.58 -0.75 4.29 4.43 2fk6A1 GLU 231 HB2 -0.02 -0.04 -0.03 -0.04 2.09 1.96 2fk6A1 GLU 231 HB3 -0.05 0.25 0.20 -0.04 1.99 2.35 2fk6A1 GLU 231 HG2 0.02 0.00 -0.33 -0.04 2.34 2.00 2fk6A1 GLU 231 HG3 -0.29 -0.01 -0.00 -0.04 2.34 2.00 2fk6A1 ALA 232 H 0.07 0.75 0.09 -0.55 8.40 8.76 2fk6A1 ALA 232 HA 0.06 0.05 0.46 -0.75 4.34 4.16 2fk6A1 ALA 232 HB3 -0.03 -0.02 -0.10 -0.04 1.41 1.22 2fk6A1 THR 233 H -0.02 0.09 0.08 -0.55 8.28 7.88 2fk6A1 THR 233 HA -0.18 0.31 0.60 -0.75 4.39 4.36 2fk6A1 THR 233 HB -0.72 -0.03 0.07 -0.04 4.32 3.59 2fk6A1 THR 233 HG23 -0.65 0.01 0.03 -0.04 1.22 0.57 2fk6A1 PHE 234 H 0.06 0.53 0.10 -0.55 8.34 8.48 2fk6A1 PHE 234 HA 0.24 0.16 0.95 -0.75 4.62 5.23 2fk6A1 PHE 234 HB2 0.12 0.04 -0.14 -0.04 3.15 3.12 2fk6A1 PHE 234 HB3 0.15 -0.10 -0.01 -0.04 3.06 3.06 2fk6A1 PHE 234 HD2 0.18 -0.03 -0.10 -0.04 7.28 7.28 2fk6A1 PHE 234 HE2 0.18 0.02 -0.10 -0.04 7.38 7.44 2fk6A1 PHE 234 HZ -0.02 0.04 -0.10 -0.04 7.32 7.21 2fk6A1 ALA 235 H 0.41 0.10 0.10 -0.55 8.40 8.46 2fk6A1 ALA 235 HA -0.06 0.12 0.49 -0.75 4.34 4.13 2fk6A1 ALA 235 HB3 0.06 -0.00 0.11 -0.04 1.41 1.54 2fk6A1 LYS 236 H 0.03 0.19 0.14 -0.55 8.42 8.22 2fk6A1 LYS 236 HA 0.04 0.04 0.33 -0.75 4.32 3.98 2fk6A1 LYS 236 HB2 0.03 -0.04 0.16 -0.04 1.87 1.98 2fk6A1 LYS 236 HB3 0.02 0.11 -0.02 -0.04 1.79 1.87 2fk6A1 LYS 236 HG2 0.01 -0.13 0.04 -0.04 1.46 1.34 2fk6A1 LYS 236 HG3 0.00 -0.03 0.11 -0.04 1.46 1.50 2fk6A1 LYS 236 HD2 0.01 0.04 0.01 -0.04 1.69 1.71 2fk6A1 LYS 236 HD3 0.01 0.17 0.05 -0.04 1.68 1.86 2fk6A1 LYS 236 HE2 0.01 -0.02 0.05 -0.04 2.99 2.99 2fk6A1 LYS 236 HE3 0.02 -0.06 0.03 -0.04 2.99 2.93 2fk6A1 GLU 237 H 0.06 0.08 -0.04 -0.55 8.60 8.15 2fk6A1 GLU 237 HA 0.03 0.13 0.37 -0.75 4.29 4.06 2fk6A1 GLU 237 HB2 0.06 -0.06 0.05 -0.04 2.09 2.11 2fk6A1 GLU 237 HB3 0.03 0.06 0.00 -0.04 1.99 2.05 2fk6A1 GLU 237 HG2 0.03 0.07 0.05 -0.04 2.34 2.44 2fk6A1 GLU 237 HG3 0.04 -0.07 0.08 -0.04 2.34 2.35 2fk6A1 ASP 238 H 0.10 0.06 -0.39 -0.55 8.40 7.62 2fk6A1 ASP 238 HA -0.01 0.09 0.39 -0.75 4.63 4.34 2fk6A1 ASP 238 HB2 0.13 0.04 0.02 -0.04 2.71 2.85 2fk6A1 ASP 238 HB3 -0.19 -0.03 0.14 -0.04 2.70 2.57 2fk6A1 ARG 239 H 0.02 0.67 -0.60 -0.55 8.46 7.99 2fk6A1 ARG 239 HA 0.05 0.03 0.27 -0.75 4.34 3.93 2fk6A1 ARG 239 HB2 -0.00 -0.02 0.06 -0.04 1.90 1.90 2fk6A1 ARG 239 HB3 0.02 -0.01 0.05 -0.04 1.80 1.82 2fk6A1 ARG 239 HG2 0.03 0.19 0.10 -0.04 1.67 1.95 2fk6A1 ARG 239 HG3 0.02 0.10 0.13 -0.04 1.67 1.88 2fk6A1 ARG 239 HD2 0.00 -0.01 0.02 -0.04 3.22 3.19 2fk6A1 ARG 239 HD3 0.02 -0.04 0.01 -0.04 3.22 3.17 2fk6A1 LYS 240 H -0.03 0.00 -0.17 -0.55 8.42 7.67 2fk6A1 LYS 240 HA -0.02 0.12 0.54 -0.75 4.32 4.22 2fk6A1 LYS 240 HB2 -0.05 0.05 -0.01 -0.04 1.87 1.82 2fk6A1 LYS 240 HB3 -0.06 0.05 0.07 -0.04 1.79 1.82 2fk6A1 LYS 240 HG2 -0.05 -0.06 -0.01 -0.04 1.46 1.29 2fk6A1 LYS 240 HG3 -0.04 0.07 -0.01 -0.04 1.46 1.45 2fk6A1 LYS 240 HD2 -0.03 0.09 0.07 -0.04 1.69 1.78 2fk6A1 LYS 240 HD3 -0.03 0.00 0.08 -0.04 1.68 1.69 2fk6A1 LYS 240 HE2 -0.02 0.06 -0.00 -0.04 2.99 2.98 2fk6A1 LYS 240 HE3 -0.01 0.15 -0.01 -0.04 2.99 3.08 2fk6A1 LEU 241 H -0.11 0.05 -0.17 -0.55 8.37 7.58 2fk6A1 LEU 241 HA -0.07 0.06 0.31 -0.75 4.35 3.90 2fk6A1 LEU 241 HB2 -0.20 -0.06 0.10 -0.04 1.64 1.43 2fk6A1 LEU 241 HB3 -0.71 0.10 0.05 -0.04 1.64 1.05 2fk6A1 LEU 241 HG -0.74 0.02 -0.09 -0.04 1.64 0.78 2fk6A1 LEU 241 HD13 0.12 0.01 0.02 -0.04 0.93 1.04 2fk6A1 LEU 241 HD23 -0.10 -0.01 -0.01 -0.04 0.89 0.72 2fk6A1 ALA 242 H -0.16 0.40 -0.49 -0.55 8.40 7.61 2fk6A1 ALA 242 HA 0.33 -0.00 0.30 -0.75 4.34 4.22 2fk6A1 ALA 242 HB3 0.26 0.05 -0.25 -0.04 1.41 1.43 2fk6A1 TYR 243 H 0.13 0.44 -0.03 -0.55 8.29 8.28 2fk6A1 TYR 243 HA -0.08 0.03 0.39 -0.75 4.56 4.14 2fk6A1 TYR 243 HB2 -0.06 0.02 0.18 -0.04 3.06 3.16 2fk6A1 TYR 243 HB3 -0.09 0.04 0.23 -0.04 2.98 3.12 2fk6A1 TYR 243 HD2 -0.12 0.00 -0.14 -0.04 7.15 6.85 2fk6A1 TYR 243 HE2 -0.12 -0.00 -0.04 -0.04 6.85 6.65 2fk6A1 ASP 244 H 0.08 0.51 -0.17 -0.55 8.40 8.28 2fk6A1 ASP 244 HA -0.14 0.04 0.39 -0.75 4.63 4.16 2fk6A1 ASP 244 HB2 -0.17 0.06 0.05 -0.04 2.71 2.61 2fk6A1 ASP 244 HB3 -0.29 -0.02 -0.01 -0.04 2.70 2.34 2fk6A1 TYR 245 H 0.13 0.33 -0.23 -0.55 8.29 7.96 2fk6A1 TYR 245 HA 0.08 0.13 0.69 -0.75 4.56 4.71 2fk6A1 TYR 245 HB2 0.36 0.05 0.10 -0.04 3.06 3.52 2fk6A1 TYR 245 HB3 0.25 -0.05 0.11 -0.04 2.98 3.24 2fk6A1 TYR 245 HD2 0.10 0.20 0.06 -0.04 7.15 7.48 2fk6A1 TYR 245 HE2 0.07 -0.04 -0.01 -0.04 6.85 6.83 2fk6A1 TYR 246 H -0.17 0.37 -0.46 -0.55 8.29 7.49 2fk6A1 TYR 246 HA -0.15 0.03 0.27 -0.75 4.56 3.96 2fk6A1 TYR 246 HB2 -0.53 0.27 0.02 -0.04 3.06 2.78 2fk6A1 TYR 246 HB3 -0.17 -0.02 0.23 -0.04 2.98 2.98 2fk6A1 TYR 246 HD2 -0.22 0.00 -0.36 -0.04 7.15 6.52 2fk6A1 TYR 246 HE2 -0.18 -0.05 -0.05 -0.04 6.85 6.53 2fk6A1 HIS 247 H 0.25 0.47 -0.11 -0.55 8.41 8.48 2fk6A1 HIS 247 HA 0.18 0.29 0.78 -0.75 4.63 5.13 2fk6A1 HIS 247 HB2 0.53 -0.01 0.01 -0.04 3.26 3.75 2fk6A1 HIS 247 HB3 0.23 -0.28 0.20 -0.04 3.20 3.30 2fk6A1 HIS 247 HD2 0.34 -0.04 -0.07 -0.04 6.97 7.16 2fk6A1 HIS 247 HE1 -0.13 -0.06 -0.03 -0.04 7.75 7.49 2fk6A1 SER 248 H 0.29 0.03 0.19 -0.55 8.46 8.43 2fk6A1 SER 248 HA 0.20 0.14 0.90 -0.75 4.49 4.97 2fk6A1 SER 248 HB2 0.26 0.26 0.07 -0.04 3.95 4.49 2fk6A1 SER 248 HB3 0.15 -0.13 0.09 -0.04 3.93 4.00 2fk6A1 THR 249 H 0.09 0.16 0.17 -0.55 8.28 8.15 2fk6A1 THR 249 HA 0.13 0.43 0.97 -0.75 4.39 5.16 2fk6A1 THR 249 HB 0.09 0.22 -0.31 -0.04 4.32 4.29 2fk6A1 THR 249 HG23 0.15 0.01 -0.21 -0.04 1.22 1.12 2fk6A1 THR 250 H -0.01 0.55 0.16 -0.55 8.28 8.44 2fk6A1 THR 250 HA -0.06 0.09 0.27 -0.75 4.39 3.94 2fk6A1 THR 250 HB -0.05 0.11 -0.03 -0.04 4.32 4.32 2fk6A1 THR 250 HG23 -0.10 0.05 0.02 -0.04 1.22 1.15 2fk6A1 GLU 251 H -0.01 0.04 -0.22 -0.55 8.60 7.87 2fk6A1 GLU 251 HA -0.01 0.14 0.23 -0.75 4.29 3.90 2fk6A1 GLU 251 HB2 0.00 -0.06 0.04 -0.04 2.09 2.04 2fk6A1 GLU 251 HB3 0.01 -0.03 -0.06 -0.04 1.99 1.87 2fk6A1 GLU 251 HG2 0.00 0.01 -0.06 -0.04 2.34 2.25 2fk6A1 GLU 251 HG3 0.01 0.12 0.02 -0.04 2.34 2.45 2fk6A1 GLN 252 H -0.02 0.15 -0.51 -0.55 8.47 7.55 2fk6A1 GLN 252 HA -0.02 0.06 0.49 -0.75 4.36 4.13 2fk6A1 GLN 252 HB2 0.00 0.02 0.28 -0.04 2.15 2.40 2fk6A1 GLN 252 HB3 0.00 0.00 0.04 -0.04 2.02 2.03 2fk6A1 GLN 252 HG2 0.03 0.06 0.06 -0.04 2.40 2.50 2fk6A1 GLN 252 HG3 0.03 -0.02 0.02 -0.04 2.39 2.37 2fk6A1 GLN 252 HE21 0.09 0.06 0.06 -0.04 6.97 7.15 2fk6A1 GLN 252 HE22 0.06 0.04 0.04 -0.04 7.69 7.79 2fk6A1 ALA 253 H -0.21 0.49 0.02 -0.55 8.40 8.15 2fk6A1 ALA 253 HA -0.73 -0.01 0.32 -0.75 4.34 3.16 2fk6A1 ALA 253 HB3 -0.53 0.03 -0.07 -0.04 1.41 0.80 2fk6A1 ALA 254 H -0.12 0.49 -0.26 -0.55 8.40 7.97 2fk6A1 ALA 254 HA -0.13 0.04 0.28 -0.75 4.34 3.77 2fk6A1 ALA 254 HB3 0.03 0.00 0.02 -0.04 1.41 1.43 2fk6A1 VAL 255 H -0.05 0.47 -0.19 -0.55 8.24 7.92 2fk6A1 VAL 255 HA 0.01 0.06 0.37 -0.75 4.13 3.81 2fk6A1 VAL 255 HB -0.02 0.06 0.19 -0.04 2.12 2.31 2fk6A1 VAL 255 HG13 0.00 -0.02 -0.11 -0.04 0.97 0.81 2fk6A1 VAL 255 HG23 0.00 0.13 0.09 -0.04 0.95 1.12 2fk6A1 THR 256 H -0.08 0.54 -0.13 -0.55 8.28 8.07 2fk6A1 THR 256 HA -0.03 -0.04 0.28 -0.75 4.39 3.85 2fk6A1 THR 256 HB -0.08 0.25 0.14 -0.04 4.32 4.58 2fk6A1 THR 256 HG23 0.05 -0.02 -0.18 -0.04 1.22 1.02 2fk6A1 ALA 257 H -0.25 0.57 -0.15 -0.55 8.40 8.02 2fk6A1 ALA 257 HA -0.28 -0.01 0.30 -0.75 4.34 3.60 2fk6A1 ALA 257 HB3 -0.97 0.02 -0.07 -0.04 1.41 0.36 2fk6A1 LYS 258 H -0.23 0.58 -0.17 -0.55 8.42 8.05 2fk6A1 LYS 258 HA 0.38 0.05 0.35 -0.75 4.32 4.34 2fk6A1 LYS 258 HB2 0.37 0.05 0.08 -0.04 1.87 2.33 2fk6A1 LYS 258 HB3 0.08 0.06 0.19 -0.04 1.79 2.09 2fk6A1 LYS 258 HG2 0.10 -0.03 -0.23 -0.04 1.46 1.25 2fk6A1 LYS 258 HG3 0.18 -0.01 0.05 -0.04 1.46 1.64 2fk6A1 LYS 258 HD2 0.11 0.20 0.05 -0.04 1.69 2.01 2fk6A1 LYS 258 HD3 0.07 -0.09 -0.00 -0.04 1.68 1.62 2fk6A1 LYS 258 HE2 0.05 -0.04 -0.02 -0.04 2.99 2.94 2fk6A1 LYS 258 HE3 0.05 0.01 0.03 -0.04 2.99 3.04 2fk6A1 GLU 259 H -0.01 0.72 -0.07 -0.55 8.60 8.69 2fk6A1 GLU 259 HA 0.03 0.01 0.41 -0.75 4.29 3.98 2fk6A1 GLU 259 HB2 -0.01 0.09 0.06 -0.04 2.09 2.19 2fk6A1 GLU 259 HB3 0.01 -0.06 -0.08 -0.04 1.99 1.82 2fk6A1 GLU 259 HG2 0.01 0.02 -0.01 -0.04 2.34 2.32 2fk6A1 GLU 259 HG3 0.01 -0.11 -0.04 -0.04 2.34 2.16 2fk6A1 ALA 260 H -0.04 0.51 -0.25 -0.55 8.40 8.08 2fk6A1 ALA 260 HA 0.00 0.04 0.53 -0.75 4.34 4.16 2fk6A1 ALA 260 HB3 -0.03 -0.04 -0.05 -0.04 1.41 1.25 2fk6A1 ARG 261 H 0.03 0.38 -0.39 -0.55 8.46 7.92 2fk6A1 ARG 261 HA 0.11 0.06 0.34 -0.75 4.34 4.10 2fk6A1 ARG 261 HB2 0.03 0.11 -0.20 -0.04 1.90 1.81 2fk6A1 ARG 261 HB3 0.05 -0.06 0.29 -0.04 1.80 2.04 2fk6A1 ARG 261 HG2 0.06 -0.02 0.08 -0.04 1.67 1.74 2fk6A1 ARG 261 HG3 0.05 0.08 -0.04 -0.04 1.67 1.71 2fk6A1 ARG 261 HD2 0.03 -0.01 -0.03 -0.04 3.22 3.17 2fk6A1 ARG 261 HD3 0.03 -0.03 0.04 -0.04 3.22 3.21 2fk6A1 ALA 262 H -0.03 0.26 -0.18 -0.55 8.40 7.91 2fk6A1 ALA 262 HA 0.02 0.22 0.21 -0.75 4.34 4.04 2fk6A1 ALA 262 HB3 -0.12 -0.06 -0.11 -0.04 1.41 1.08 2fk6A1 LYS 263 H 0.06 0.38 0.16 -0.55 8.42 8.47 2fk6A1 LYS 263 HA 0.15 0.11 0.69 -0.75 4.32 4.52 2fk6A1 LYS 263 HB2 0.05 0.18 0.37 -0.04 1.87 2.43 2fk6A1 LYS 263 HB3 0.05 -0.13 0.12 -0.04 1.79 1.78 2fk6A1 LYS 263 HG2 0.04 -0.08 0.05 -0.04 1.46 1.43 2fk6A1 LYS 263 HG3 0.05 0.25 0.06 -0.04 1.46 1.77 2fk6A1 LYS 263 HD2 0.02 -0.04 0.11 -0.04 1.69 1.75 2fk6A1 LYS 263 HD3 0.02 -0.10 0.07 -0.04 1.68 1.63 2fk6A1 LYS 263 HE2 0.02 0.18 0.04 -0.04 2.99 3.19 2fk6A1 LYS 263 HE3 0.01 -0.10 0.03 -0.04 2.99 2.90 2fk6A1 GLN 264 H 0.09 0.27 0.15 -0.55 8.47 8.43 2fk6A1 GLN 264 HA 0.28 0.27 0.82 -0.75 4.36 4.97 2fk6A1 GLN 264 HB2 0.07 0.04 -0.13 -0.04 2.15 2.09 2fk6A1 GLN 264 HB3 0.05 -0.05 0.07 -0.04 2.02 2.05 2fk6A1 GLN 264 HG2 0.06 -0.00 -0.12 -0.04 2.40 2.29 2fk6A1 GLN 264 HG3 0.06 0.04 0.01 -0.04 2.39 2.46 2fk6A1 GLN 264 HE21 0.03 -0.05 -0.12 -0.04 6.97 6.80 2fk6A1 GLN 264 HE22 0.02 0.02 -0.18 -0.04 7.69 7.52 2fk6A1 LEU 265 H 0.17 0.68 0.33 -0.55 8.37 9.00 2fk6A1 LEU 265 HA -0.03 0.17 0.99 -0.75 4.35 4.72 2fk6A1 LEU 265 HB2 -0.25 0.03 -0.11 -0.04 1.64 1.26 2fk6A1 LEU 265 HB3 0.10 0.12 0.02 -0.04 1.64 1.83 2fk6A1 LEU 265 HG -0.01 -0.13 -0.34 -0.04 1.64 1.11 2fk6A1 LEU 265 HD13 -0.04 -0.02 -0.11 -0.04 0.93 0.72 2fk6A1 LEU 265 HD23 -0.14 0.01 -0.30 -0.04 0.89 0.42 2fk6A1 ILE 266 H -0.01 0.53 0.26 -0.55 8.25 8.48 2fk6A1 ILE 266 HA -0.05 0.22 1.10 -0.75 4.18 4.69 2fk6A1 ILE 266 HB 0.05 -0.10 0.11 -0.04 1.89 1.91 2fk6A1 ILE 266 HG12 -0.02 0.09 -0.13 -0.04 1.49 1.38 2fk6A1 ILE 266 HG13 0.02 -0.04 -0.41 -0.04 1.21 0.74 2fk6A1 ILE 266 HG23 -0.45 0.00 -0.18 -0.04 0.93 0.26 2fk6A1 ILE 266 HD13 0.21 -0.00 -0.13 -0.04 0.88 0.91 2fk6A1 LEU 267 H -0.07 0.75 0.33 -0.55 8.37 8.84 2fk6A1 LEU 267 HA 0.00 0.25 0.73 -0.75 4.35 4.58 2fk6A1 LEU 267 HB2 -0.06 -0.06 0.13 -0.04 1.64 1.61 2fk6A1 LEU 267 HB3 -0.04 -0.00 -0.00 -0.04 1.64 1.55 2fk6A1 LEU 267 HG -0.03 -0.01 -0.15 -0.04 1.64 1.41 2fk6A1 LEU 267 HD13 -0.04 -0.02 -0.17 -0.04 0.93 0.66 2fk6A1 LEU 267 HD23 -0.06 0.00 -0.15 -0.04 0.89 0.64 2fk6A1 THR 268 H 0.05 0.59 0.39 -0.55 8.28 8.76 2fk6A1 THR 268 HA -0.05 0.17 0.85 -0.75 4.39 4.61 2fk6A1 THR 268 HB -0.04 0.02 -0.20 -0.04 4.32 4.06 2fk6A1 THR 268 HG23 0.14 0.05 -0.30 -0.04 1.22 1.07 2fk6A1 HIS 269 H 0.05 0.18 0.17 -0.55 8.41 8.27 2fk6A1 HIS 269 HA -0.00 0.63 0.31 -0.75 4.63 4.81 2fk6A1 HIS 269 HB2 0.04 -0.10 -0.24 -0.04 3.26 2.92 2fk6A1 HIS 269 HB3 -0.03 0.00 0.20 -0.04 3.20 3.33 2fk6A1 HIS 269 HD2 0.16 -0.04 -0.02 -0.04 6.97 7.03 2fk6A1 HIS 269 HE1 -0.20 -0.03 0.03 -0.04 7.75 7.51 2fk6A1 ILE 270 H -0.05 0.28 -0.01 -0.55 8.25 7.92 2fk6A1 ILE 270 HA -0.06 0.18 0.42 -0.75 4.18 3.97 2fk6A1 ILE 270 HB -0.02 -0.03 -0.09 -0.04 1.89 1.71 2fk6A1 ILE 270 HG12 -0.04 -0.06 -0.12 -0.04 1.49 1.24 2fk6A1 ILE 270 HG13 -0.03 0.04 -0.08 -0.04 1.21 1.09 2fk6A1 ILE 270 HG23 0.01 0.02 -0.13 -0.04 0.93 0.80 2fk6A1 ILE 270 HD13 -0.06 0.03 -0.25 -0.04 0.88 0.55 2fk6A1 SER 271 H 0.04 0.23 0.20 -0.55 8.46 8.38 2fk6A1 SER 271 HA -0.10 0.14 0.69 -0.75 4.49 4.47 2fk6A1 SER 271 HB2 -0.09 -0.10 0.10 -0.04 3.95 3.81 2fk6A1 SER 271 HB3 -0.21 0.10 0.13 -0.04 3.93 3.90 2fk6A1 ALA 272 H -0.05 0.22 0.19 -0.55 8.40 8.20 2fk6A1 ALA 272 HA -0.00 0.14 0.37 -0.75 4.34 4.10 2fk6A1 ALA 272 HB3 -0.03 0.02 0.12 -0.04 1.41 1.48 2fk6A1 ARG 273 H -0.11 -0.00 -0.58 -0.55 8.46 7.22 2fk6A1 ARG 273 HA -0.13 0.07 0.33 -0.75 4.34 3.86 2fk6A1 ARG 273 HB2 -0.25 -0.00 0.11 -0.04 1.90 1.72 2fk6A1 ARG 273 HB3 -0.15 -0.02 0.06 -0.04 1.80 1.65 2fk6A1 ARG 273 HG2 -0.30 -0.00 -0.03 -0.04 1.67 1.31 2fk6A1 ARG 273 HG3 -1.39 0.08 -0.35 -0.04 1.67 -0.03 2fk6A1 ARG 273 HD2 -0.31 -0.06 -0.01 -0.04 3.22 2.80 2fk6A1 ARG 273 HD3 -0.70 -0.03 -0.05 -0.04 3.22 2.40 2fk6A1 TYR 274 H 0.01 0.47 -0.56 -0.55 8.29 7.66 2fk6A1 TYR 274 HA 0.01 0.07 0.90 -0.75 4.56 4.78 2fk6A1 TYR 274 HB2 -0.02 0.15 -0.01 -0.04 3.06 3.14 2fk6A1 TYR 274 HB3 -0.00 -0.14 -0.03 -0.04 2.98 2.76 2fk6A1 TYR 274 HD2 -0.01 0.06 0.04 -0.04 7.15 7.20 2fk6A1 TYR 274 HE2 0.02 0.11 0.07 -0.04 6.85 7.01 2fk6A1 GLN 275 H 0.12 -0.03 0.20 -0.55 8.47 8.21 2fk6A1 GLN 275 HA 0.04 0.38 0.82 -0.75 4.36 4.84 2fk6A1 GLN 275 HB2 0.04 -0.22 0.19 -0.04 2.15 2.12 2fk6A1 GLN 275 HB3 0.02 0.01 0.22 -0.04 2.02 2.23 2fk6A1 GLN 275 HG2 0.02 0.03 -0.06 -0.04 2.40 2.35 2fk6A1 GLN 275 HG3 0.02 0.05 0.04 -0.04 2.39 2.46 2fk6A1 GLN 275 HE21 0.00 0.05 0.01 -0.04 6.97 6.99 2fk6A1 GLN 275 HE22 0.00 -0.01 0.02 -0.04 7.69 7.66 2fk6A1 GLY 276 H 0.01 0.27 0.18 -0.55 8.43 8.34 2fk6A1 GLY 276 HA2 -0.01 0.15 0.42 -0.51 4.01 4.07 2fk6A1 GLY 276 HA3 -0.01 0.13 0.35 -0.51 4.01 3.96 2fk6A1 ASP 277 H 0.02 -0.15 -0.61 -0.55 8.40 7.12 2fk6A1 ASP 277 HA 0.00 0.26 0.71 -0.75 4.63 4.84 2fk6A1 ASP 277 HB2 0.01 0.07 -0.01 -0.04 2.71 2.75 2fk6A1 ASP 277 HB3 0.01 0.10 0.03 -0.04 2.70 2.79 2fk6A1 ALA 278 H 0.05 -0.05 0.04 -0.55 8.40 7.90 2fk6A1 ALA 278 HA 0.04 0.11 0.47 -0.75 4.34 4.21 2fk6A1 ALA 278 HB3 0.17 0.02 0.19 -0.04 1.41 1.75 2fk6A1 SER 279 H 0.03 0.69 -0.24 -0.55 8.46 8.39 2fk6A1 SER 279 HA -0.04 0.00 0.32 -0.75 4.49 4.02 2fk6A1 SER 279 HB2 -0.01 0.07 -0.04 -0.04 3.95 3.94 2fk6A1 SER 279 HB3 0.01 0.03 -0.02 -0.04 3.93 3.90 2fk6A1 LEU 280 H -0.01 0.36 -0.47 -0.55 8.37 7.70 2fk6A1 LEU 280 HA -0.01 0.13 0.65 -0.75 4.35 4.37 2fk6A1 LEU 280 HB2 -0.01 0.12 0.11 -0.04 1.64 1.82 2fk6A1 LEU 280 HB3 -0.01 -0.00 0.03 -0.04 1.64 1.61 2fk6A1 LEU 280 HG -0.01 0.01 0.05 -0.04 1.64 1.65 2fk6A1 LEU 280 HD13 -0.02 0.01 -0.04 -0.04 0.93 0.83 2fk6A1 LEU 280 HD23 -0.01 0.01 0.03 -0.04 0.89 0.88 2fk6A1 GLU 281 H -0.01 0.18 -0.30 -0.55 8.60 7.92 2fk6A1 GLU 281 HA -0.01 0.11 0.56 -0.75 4.29 4.20 2fk6A1 GLU 281 HB2 0.00 0.05 0.29 -0.04 2.09 2.39 2fk6A1 GLU 281 HB3 0.01 -0.04 0.09 -0.04 1.99 2.00 2fk6A1 GLU 281 HG2 0.01 0.04 0.00 -0.04 2.34 2.35 2fk6A1 GLU 281 HG3 0.01 0.29 0.12 -0.04 2.34 2.71 2fk6A1 LEU 282 H -0.07 1.04 0.16 -0.55 8.37 8.96 2fk6A1 LEU 282 HA -0.13 -0.10 0.37 -0.75 4.35 3.73 2fk6A1 LEU 282 HB2 -0.12 0.16 0.11 -0.04 1.64 1.74 2fk6A1 LEU 282 HB3 -0.17 0.00 -0.08 -0.04 1.64 1.35 2fk6A1 LEU 282 HG -0.36 0.00 -0.07 -0.04 1.64 1.17 2fk6A1 LEU 282 HD13 -0.32 0.01 -0.12 -0.04 0.93 0.47 2fk6A1 LEU 282 HD23 -0.80 -0.02 -0.09 -0.04 0.89 -0.07 2fk6A1 GLN 283 H -0.05 0.37 -0.44 -0.55 8.47 7.81 2fk6A1 GLN 283 HA -0.03 -0.00 0.30 -0.75 4.36 3.87 2fk6A1 GLN 283 HB2 -0.02 0.24 0.22 -0.04 2.15 2.55 2fk6A1 GLN 283 HB3 -0.01 0.13 0.05 -0.04 2.02 2.15 2fk6A1 GLN 283 HG2 -0.00 0.07 -0.08 -0.04 2.40 2.34 2fk6A1 GLN 283 HG3 -0.01 -0.15 -0.03 -0.04 2.39 2.16 2fk6A1 GLN 283 HE21 0.01 0.01 0.06 -0.04 6.97 7.01 2fk6A1 GLN 283 HE22 -0.00 0.02 -0.01 -0.04 7.69 7.66 2fk6A1 LYS 284 H -0.02 0.35 -0.40 -0.55 8.42 7.80 2fk6A1 LYS 284 HA -0.01 0.09 0.47 -0.75 4.32 4.11 2fk6A1 LYS 284 HB2 -0.01 0.12 0.28 -0.04 1.87 2.22 2fk6A1 LYS 284 HB3 -0.01 -0.05 -0.02 -0.04 1.79 1.67 2fk6A1 LYS 284 HG2 -0.00 -0.04 0.03 -0.04 1.46 1.40 2fk6A1 LYS 284 HG3 -0.01 -0.00 0.06 -0.04 1.46 1.47 2fk6A1 LYS 284 HD2 -0.01 0.16 0.07 -0.04 1.69 1.87 2fk6A1 LYS 284 HD3 -0.01 -0.04 0.02 -0.04 1.68 1.61 2fk6A1 LYS 284 HE2 -0.01 0.02 -0.03 -0.04 2.99 2.93 2fk6A1 LYS 284 HE3 -0.01 -0.16 -0.17 -0.04 2.99 2.61 2fk6A1 GLU 285 H -0.02 0.52 -0.16 -0.55 8.60 8.39 2fk6A1 GLU 285 HA -0.00 0.05 0.36 -0.75 4.29 3.94 2fk6A1 GLU 285 HB2 -0.03 0.14 0.12 -0.04 2.09 2.28 2fk6A1 GLU 285 HB3 -0.01 -0.15 0.08 -0.04 1.99 1.88 2fk6A1 GLU 285 HG2 -0.01 0.01 0.06 -0.04 2.34 2.37 2fk6A1 GLU 285 HG3 -0.03 0.43 0.09 -0.04 2.34 2.79 2fk6A1 ALA 286 H -0.01 0.32 -0.52 -0.55 8.40 7.64 2fk6A1 ALA 286 HA 0.01 0.01 0.43 -0.75 4.34 4.03 2fk6A1 ALA 286 HB3 -0.00 0.02 -0.05 -0.04 1.41 1.33 2fk6A1 VAL 287 H 0.01 0.46 -0.02 -0.55 8.24 8.14 2fk6A1 VAL 287 HA 0.03 0.32 0.17 -0.75 4.13 3.89 2fk6A1 VAL 287 HB -0.00 -0.04 0.08 -0.04 2.12 2.12 2fk6A1 VAL 287 HG13 -0.02 0.07 0.09 -0.04 0.97 1.08 2fk6A1 VAL 287 HG23 0.00 0.16 0.09 -0.04 0.95 1.16 2fk6A1 ASP 288 H 0.01 0.27 -0.62 -0.55 8.40 7.51 2fk6A1 ASP 288 HA -0.00 0.07 0.40 -0.75 4.63 4.35 2fk6A1 ASP 288 HB2 0.01 0.09 -0.00 -0.04 2.71 2.76 2fk6A1 ASP 288 HB3 0.00 -0.06 0.03 -0.04 2.70 2.64 2fk6A1 VAL 289 H 0.04 0.30 -0.47 -0.55 8.24 7.55 2fk6A1 VAL 289 HA 0.04 0.13 0.80 -0.75 4.13 4.34 2fk6A1 VAL 289 HB 0.06 -0.00 0.05 -0.04 2.12 2.19 2fk6A1 VAL 289 HG13 0.06 0.00 -0.19 -0.04 0.97 0.80 2fk6A1 VAL 289 HG23 0.02 -0.00 -0.04 -0.04 0.95 0.89 2fk6A1 PHE 290 H 0.13 0.74 0.06 -0.55 8.34 8.73 2fk6A1 PHE 290 HA -0.01 0.23 0.83 -0.75 4.62 4.91 2fk6A1 PHE 290 HB2 -0.02 0.04 -0.10 -0.04 3.15 3.02 2fk6A1 PHE 290 HB3 -0.02 -0.10 0.00 -0.04 3.06 2.90 2fk6A1 PHE 290 HD2 -0.01 -0.01 -0.21 -0.04 7.28 7.01 2fk6A1 PHE 290 HE2 -0.01 0.04 -0.28 -0.04 7.38 7.09 2fk6A1 PHE 290 HZ -0.01 0.49 -0.37 -0.04 7.32 7.39 2fk6A1 PRO 291 HA -0.08 0.11 0.43 -0.51 4.44 4.39 2fk6A1 PRO 291 HB2 -0.27 -0.03 0.11 -0.04 2.28 2.06 2fk6A1 PRO 291 HB3 -0.12 -0.01 0.08 -0.04 2.02 1.92 2fk6A1 PRO 291 HG2 -0.17 0.02 0.05 -0.04 2.03 1.89 2fk6A1 PRO 291 HG3 -0.11 0.06 0.04 -0.04 2.03 1.99 2fk6A1 PRO 291 HD2 -0.52 0.10 0.10 -0.04 3.68 3.32 2fk6A1 PRO 291 HD3 -0.13 0.27 -0.12 -0.04 3.65 3.63 2fk6A1 ASN 292 H -0.47 0.14 -0.18 -0.55 8.53 7.47 2fk6A1 ASN 292 HA -0.04 0.10 0.64 -0.75 4.76 4.70 2fk6A1 ASN 292 HB2 -0.13 -0.03 0.13 -0.04 2.88 2.81 2fk6A1 ASN 292 HB3 -0.07 0.12 0.25 -0.04 2.79 3.06 2fk6A1 ASN 292 HD21 0.01 -0.04 -0.03 -0.04 7.03 6.93 2fk6A1 ASN 292 HD22 -0.01 0.03 0.02 -0.04 7.74 7.74 2fk6A1 SER 293 H 0.03 0.47 0.26 -0.55 8.46 8.67 2fk6A1 SER 293 HA 0.11 0.29 1.04 -0.75 4.49 5.18 2fk6A1 SER 293 HB2 0.05 -0.00 -0.07 -0.04 3.95 3.89 2fk6A1 SER 293 HB3 0.05 -0.17 -0.07 -0.04 3.93 3.69 2fk6A1 VAL 294 H -0.00 0.34 0.29 -0.55 8.24 8.32 2fk6A1 VAL 294 HA -0.00 0.17 0.94 -0.75 4.13 4.48 2fk6A1 VAL 294 HB -0.06 -0.05 0.04 -0.04 2.12 2.02 2fk6A1 VAL 294 HG13 -0.04 0.00 -0.25 -0.04 0.97 0.64 2fk6A1 VAL 294 HG23 0.01 0.02 -0.26 -0.04 0.95 0.68 2fk6A1 ALA 295 H -0.01 0.19 0.14 -0.55 8.40 8.17 2fk6A1 ALA 295 HA -0.07 0.05 0.77 -0.75 4.34 4.33 2fk6A1 ALA 295 HB3 -0.01 -0.02 0.14 -0.04 1.41 1.48 2fk6A1 ALA 296 H -0.20 0.92 0.39 -0.55 8.40 8.97 2fk6A1 ALA 296 HA -0.56 0.03 0.34 -0.75 4.34 3.40 2fk6A1 ALA 296 HB3 -0.71 -0.05 0.04 -0.04 1.41 0.65 2fk6A1 TYR 297 H -0.51 0.25 0.18 -0.55 8.29 7.66 2fk6A1 TYR 297 HA -0.06 -0.01 0.40 -0.75 4.56 4.13 2fk6A1 TYR 297 HB2 -0.01 0.00 0.08 -0.04 3.06 3.10 2fk6A1 TYR 297 HB3 -0.05 0.15 -0.04 -0.04 2.98 3.00 2fk6A1 TYR 297 HD2 0.01 0.30 -0.26 -0.04 7.15 7.15 2fk6A1 TYR 297 HE2 0.03 0.04 -0.09 -0.04 6.85 6.79 2fk6A1 ASP 298 H 0.12 0.14 0.12 -0.55 8.40 8.24 2fk6A1 ASP 298 HA -0.10 -0.06 0.22 -0.75 4.63 3.93 2fk6A1 ASP 298 HB2 0.11 0.11 0.18 -0.04 2.71 3.07 2fk6A1 ASP 298 HB3 -0.22 0.13 -0.04 -0.04 2.70 2.53 2fk6A1 PHE 299 H -0.22 0.48 0.28 -0.55 8.34 8.32 2fk6A1 PHE 299 HA 0.09 0.07 0.32 -0.75 4.62 4.34 2fk6A1 PHE 299 HB2 0.14 0.18 0.07 -0.04 3.15 3.50 2fk6A1 PHE 299 HB3 0.10 -0.03 0.18 -0.04 3.06 3.26 2fk6A1 PHE 299 HD2 0.09 0.02 -0.17 -0.04 7.28 7.18 2fk6A1 PHE 299 HE2 0.09 0.08 -0.05 -0.04 7.38 7.46 2fk6A1 PHE 299 HZ 0.17 0.00 0.04 -0.04 7.32 7.48 2fk6A1 LEU 300 H -0.06 0.34 -0.02 -0.55 8.37 8.09 2fk6A1 LEU 300 HA -0.11 0.11 0.65 -0.75 4.35 4.24 2fk6A1 LEU 300 HB2 -1.99 0.04 0.06 -0.04 1.64 -0.29 2fk6A1 LEU 300 HB3 -0.64 -0.06 0.21 -0.04 1.64 1.11 2fk6A1 LEU 300 HG -0.06 -0.07 -0.43 -0.04 1.64 1.04 2fk6A1 LEU 300 HD13 -0.11 -0.01 -0.05 -0.04 0.93 0.72 2fk6A1 LEU 300 HD23 -0.53 -0.02 -0.09 -0.04 0.89 0.21 2fk6A1 GLU 301 H 0.04 0.25 0.21 -0.55 8.60 8.56 2fk6A1 GLU 301 HA 0.09 0.32 1.18 -0.75 4.29 5.11 2fk6A1 GLU 301 HB2 0.08 0.01 -0.09 -0.04 2.09 2.05 2fk6A1 GLU 301 HB3 0.06 -0.01 0.10 -0.04 1.99 2.09 2fk6A1 GLU 301 HG2 0.03 -0.01 -0.32 -0.04 2.34 2.00 2fk6A1 GLU 301 HG3 0.03 -0.03 -0.22 -0.04 2.34 2.08 2fk6A1 VAL 302 H 0.06 0.87 0.30 -0.55 8.24 8.92 2fk6A1 VAL 302 HA 0.04 0.15 0.94 -0.75 4.13 4.50 2fk6A1 VAL 302 HB 0.11 -0.08 0.12 -0.04 2.12 2.23 2fk6A1 VAL 302 HG13 0.03 0.05 -0.12 -0.04 0.97 0.89 2fk6A1 VAL 302 HG23 0.08 -0.01 -0.25 -0.04 0.95 0.73 2fk6A1 ASN 303 H 0.02 0.14 0.11 -0.55 8.53 8.25 2fk6A1 ASN 303 HA -0.00 0.02 0.67 -0.75 4.76 4.70 2fk6A1 ASN 303 HB2 0.01 -0.05 0.03 -0.04 2.88 2.83 2fk6A1 ASN 303 HB3 0.01 -0.03 0.08 -0.04 2.79 2.81 2fk6A1 ASN 303 HD21 0.00 0.03 -0.34 -0.04 7.03 6.68 2fk6A1 ASN 303 HD22 0.00 -0.06 -0.45 -0.04 7.74 7.19 2fk6A1 VAL 304 H -0.01 0.91 0.38 -0.55 8.24 8.97 2fk6A1 VAL 304 HA -0.00 0.16 0.87 -0.75 4.13 4.41 2fk6A1 VAL 304 HB -0.01 0.02 0.12 -0.04 2.12 2.21 2fk6A1 VAL 304 HG13 -0.01 -0.00 -0.08 -0.04 0.97 0.85 2fk6A1 VAL 304 HG23 -0.03 -0.03 -0.15 -0.04 0.95 0.71 2fk6A1 PRO 305 HA 0.00 0.10 0.64 -0.51 4.44 4.67 2fk6A1 PRO 305 HB2 0.00 0.05 -0.10 -0.04 2.28 2.19 2fk6A1 PRO 305 HB3 0.00 -0.01 -0.02 -0.04 2.02 1.95 2fk6A1 PRO 305 HG2 0.01 0.01 -0.03 -0.04 2.03 1.97 2fk6A1 PRO 305 HG3 0.01 0.02 -0.01 -0.04 2.03 2.00 2fk6A1 PRO 305 HD2 0.01 0.08 0.21 -0.04 3.68 3.94 2fk6A1 PRO 305 HD3 0.01 0.26 -0.10 -0.04 3.65 3.78 2fk6A1 ARG 306 H 0.00 0.11 0.11 -0.55 8.46 8.13 2fk6A1 ARG 306 HA -0.00 0.05 0.46 -0.75 4.34 4.10 2fk6A1 ARG 306 HB2 -0.00 0.07 0.13 -0.04 1.90 2.06 2fk6A1 ARG 306 HB3 -0.01 0.06 0.11 -0.04 1.80 1.92 2fk6A1 ARG 306 HG2 -0.00 -0.08 0.18 -0.04 1.67 1.72 2fk6A1 ARG 306 HG3 -0.00 0.00 0.09 -0.04 1.67 1.72 2fk6A1 ARG 306 HD2 -0.01 0.05 0.06 -0.04 3.22 3.29 2fk6A1 ARG 306 HD3 -0.00 -0.04 0.13 -0.04 3.22 3.27 2fk6A1 GLY 307 H 0.00 0.20 0.16 -0.55 8.43 8.24 2fk6A1 GLY 307 HA2 0.00 0.07 0.19 -0.51 4.01 3.76 2fk6A1 GLY 307 HA3 0.00 0.07 0.19 -0.51 4.01 3.76