============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 3 1.000 23.308 -49.860 1.880 -99.200 -91.000 TYR 22 0.840 -19.111 -31.457 15.456 -99.200 -91.000 TRP 31 1.040 -5.969 -40.248 24.966 -99.200 -91.000 TRP6 31 1.020 -6.587 -42.354 25.830 -99.200 -91.000 TYR 37 0.840 -2.323 -32.808 20.508 -99.200 -91.000 HIS 41 0.900 -10.394 -32.695 7.420 -99.200 -91.000 PHE 46 1.000 -17.896 -25.097 8.739 -99.200 -91.000 TRP 51 1.040 -11.533 -23.565 9.469 -99.200 -91.000 TRP6 51 1.020 -12.456 -25.722 9.125 -99.200 -91.000 HIS 61 0.900 -23.572 -32.357 24.553 -99.200 -91.000 PHE 63 1.000 -16.133 -31.703 19.009 -99.200 -91.000 TYR 99 0.840 4.133 -36.158 23.582 -99.200 -91.000 PHE 101 1.000 2.847 -32.637 19.600 -99.200 -91.000 PHE 110 1.000 7.108 -37.562 7.928 -99.200 -91.000 TYR 116 0.840 -7.906 -46.105 5.824 -99.200 -91.000 TYR 124 0.840 2.256 -45.082 3.573 -99.200 -91.000 PHE 138 1.000 -2.149 -40.770 4.271 -99.200 -91.000 PHE 148 1.000 5.581 -43.630 14.066 -99.200 -91.000 PHE 157 1.000 3.458 -38.710 18.055 -99.200 -91.000 PHE 158 1.000 9.696 -36.102 12.382 -99.200 -91.000 TYR 159 0.840 1.474 -35.524 6.948 -99.200 -91.000 HIS 161 0.900 -3.481 -37.083 4.338 -99.200 -91.000 HIS 162 0.900 -4.700 -31.478 8.687 -99.200 -91.000 HIS 170 0.900 -1.564 -38.681 -0.568 -99.200 -91.000 PHE 179 1.000 -3.038 -27.757 5.963 -99.200 -91.000 TYR 180 0.840 5.077 -30.409 7.661 -99.200 -91.000 TYR 183 0.840 0.561 -27.229 -0.382 -99.200 -91.000 TRP 205 1.040 19.989 -45.016 -4.563 -99.200 -91.000 TRP6 205 1.020 20.198 -44.359 -6.818 -99.200 -91.000 TYR 207 0.840 29.222 -41.025 -0.096 -99.200 -91.000 TRP 216 1.040 27.430 -46.056 -10.910 -99.200 -91.000 TRP6 216 1.020 27.656 -44.722 -8.968 -99.200 -91.000 TYR 227 0.840 24.628 -30.506 -6.737 -99.200 -91.000 TRP 230 1.040 23.701 -28.110 -12.681 -99.200 -91.000 TRP6 230 1.020 22.660 -29.968 -11.648 -99.200 -91.000 PHE 236 1.000 18.902 -32.711 -9.293 -99.200 -91.000 PHE 239 1.000 26.701 -31.940 0.314 -99.200 -91.000 TRP 270 1.040 20.853 -43.313 -15.365 -99.200 -91.000 TRP6 270 1.020 20.313 -42.442 -13.236 -99.200 -91.000 TYR 279 0.840 18.433 -48.122 -16.599 -99.200 -91.000 PHE 281 1.000 20.219 -38.669 -10.235 -99.200 -91.000 PHE 291 1.000 27.169 -44.431 10.341 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2q6fA1 SER 1 HA -0.11 -0.07 0.24 -0.75 4.49 3.80 2q6fA1 SER 1 HB2 -0.33 -0.13 0.08 -0.04 3.95 3.53 2q6fA1 SER 1 HB3 -0.23 0.12 0.05 -0.04 3.93 3.84 2q6fA1 GLY 2 H -0.23 0.08 0.05 -0.55 8.43 7.78 2q6fA1 GLY 2 HA2 -0.07 -0.07 0.38 -0.51 4.01 3.74 2q6fA1 GLY 2 HA3 -0.10 0.11 0.58 -0.51 4.01 4.10 2q6fA1 PHE 3 H 0.12 0.16 0.13 -0.55 8.34 8.21 2q6fA1 PHE 3 HA 0.04 0.22 0.93 -0.75 4.62 5.06 2q6fA1 PHE 3 HB2 0.09 -0.04 0.09 -0.04 3.15 3.25 2q6fA1 PHE 3 HB3 0.10 -0.04 -0.05 -0.04 3.06 3.03 2q6fA1 PHE 3 HD2 0.05 -0.04 -0.02 -0.04 7.28 7.23 2q6fA1 PHE 3 HE2 0.03 0.11 -0.07 -0.04 7.38 7.41 2q6fA1 PHE 3 HZ 0.03 0.01 -0.10 -0.04 7.32 7.21 2q6fA1 LYS 4 H 0.15 0.28 0.13 -0.55 8.42 8.42 2q6fA1 LYS 4 HA 0.10 0.17 0.79 -0.75 4.32 4.62 2q6fA1 LYS 4 HB2 0.04 -0.00 -0.12 -0.04 1.87 1.76 2q6fA1 LYS 4 HB3 0.04 0.00 -0.04 -0.04 1.79 1.76 2q6fA1 LYS 4 HG2 0.04 -0.05 -0.59 -0.04 1.46 0.82 2q6fA1 LYS 4 HG3 0.02 0.03 -0.15 -0.04 1.46 1.32 2q6fA1 LYS 4 HD2 0.06 0.09 0.01 -0.04 1.69 1.80 2q6fA1 LYS 4 HD3 0.03 0.01 -0.09 -0.04 1.68 1.59 2q6fA1 LYS 4 HE2 0.02 -0.00 -0.04 -0.04 2.99 2.93 2q6fA1 LYS 4 HE3 0.03 -0.03 -0.01 -0.04 2.99 2.95 2q6fA1 LYS 5 H 0.05 0.21 0.07 -0.55 8.42 8.20 2q6fA1 LYS 5 HA 0.04 0.06 0.75 -0.75 4.32 4.42 2q6fA1 LYS 5 HB2 0.00 0.01 0.19 -0.04 1.87 2.04 2q6fA1 LYS 5 HB3 -0.01 0.06 0.05 -0.04 1.79 1.84 2q6fA1 LYS 5 HG2 0.02 -0.03 -0.13 -0.04 1.46 1.29 2q6fA1 LYS 5 HG3 0.02 0.00 -0.04 -0.04 1.46 1.40 2q6fA1 LYS 5 HD2 -0.04 0.04 -0.03 -0.04 1.69 1.61 2q6fA1 LYS 5 HD3 -0.05 0.17 -0.14 -0.04 1.68 1.62 2q6fA1 LYS 5 HE2 -0.09 -0.09 -0.10 -0.04 2.99 2.67 2q6fA1 LYS 5 HE3 -0.06 -0.07 -0.20 -0.04 2.99 2.62 2q6fA1 LEU 6 H 0.03 0.14 0.06 -0.55 8.37 8.06 2q6fA1 LEU 6 HA 0.01 0.14 0.59 -0.75 4.35 4.34 2q6fA1 LEU 6 HB2 0.03 -0.06 0.03 -0.04 1.64 1.59 2q6fA1 LEU 6 HB3 0.02 0.11 -0.00 -0.04 1.64 1.72 2q6fA1 LEU 6 HG 0.03 -0.01 -0.15 -0.04 1.64 1.46 2q6fA1 LEU 6 HD13 0.05 0.03 -0.03 -0.04 0.93 0.94 2q6fA1 LEU 6 HD23 0.02 0.01 -0.02 -0.04 0.89 0.86 2q6fA1 VAL 7 H 0.00 0.21 0.16 -0.55 8.24 8.07 2q6fA1 VAL 7 HA -0.07 0.09 0.66 -0.75 4.13 4.06 2q6fA1 VAL 7 HB 0.00 0.00 -0.01 -0.04 2.12 2.07 2q6fA1 VAL 7 HG13 -0.04 0.05 -0.15 -0.04 0.97 0.79 2q6fA1 VAL 7 HG23 -0.01 0.03 -0.24 -0.04 0.95 0.69 2q6fA1 SER 8 H -0.14 0.09 0.09 -0.55 8.46 7.95 2q6fA1 SER 8 HA 0.04 0.14 0.61 -0.75 4.49 4.53 2q6fA1 SER 8 HB2 -0.13 0.01 0.03 -0.04 3.95 3.82 2q6fA1 SER 8 HB3 0.18 0.07 0.05 -0.04 3.93 4.18 2q6fA1 PRO 9 HA 0.09 0.09 0.43 -0.51 4.44 4.54 2q6fA1 PRO 9 HB2 0.06 -0.09 0.04 -0.04 2.28 2.25 2q6fA1 PRO 9 HB3 0.05 0.10 0.12 -0.04 2.02 2.26 2q6fA1 PRO 9 HG2 0.09 -0.04 0.05 -0.04 2.03 2.09 2q6fA1 PRO 9 HG3 0.05 0.08 0.08 -0.04 2.03 2.20 2q6fA1 PRO 9 HD2 0.08 0.03 0.24 -0.04 3.68 4.00 2q6fA1 PRO 9 HD3 0.06 0.21 0.19 -0.04 3.65 4.07 2q6fA1 SER 10 H 0.10 0.14 0.13 -0.55 8.46 8.28 2q6fA1 SER 10 HA 0.16 0.25 0.95 -0.75 4.49 5.09 2q6fA1 SER 10 HB2 0.11 -0.03 0.08 -0.04 3.95 4.07 2q6fA1 SER 10 HB3 0.22 0.12 -0.10 -0.04 3.93 4.13 2q6fA1 SER 11 H 0.05 0.10 -0.05 -0.55 8.46 8.01 2q6fA1 SER 11 HA 0.02 0.11 0.35 -0.75 4.49 4.21 2q6fA1 SER 11 HB2 0.03 0.01 0.10 -0.04 3.95 4.05 2q6fA1 SER 11 HB3 0.02 -0.04 0.07 -0.04 3.93 3.93 2q6fA1 ALA 12 H -0.01 0.07 -0.20 -0.55 8.40 7.71 2q6fA1 ALA 12 HA -0.03 0.13 0.37 -0.75 4.34 4.06 2q6fA1 ALA 12 HB3 -0.05 0.01 0.00 -0.04 1.41 1.33 2q6fA1 VAL 13 H -0.17 0.05 -0.28 -0.55 8.24 7.30 2q6fA1 VAL 13 HA -0.08 0.10 0.41 -0.75 4.13 3.81 2q6fA1 VAL 13 HB -0.35 0.05 0.05 -0.04 2.12 1.83 2q6fA1 VAL 13 HG13 -0.13 0.00 -0.10 -0.04 0.97 0.70 2q6fA1 VAL 13 HG23 -1.41 -0.01 -0.07 -0.04 0.95 -0.59 2q6fA1 GLU 14 H -0.03 0.56 -0.10 -0.55 8.60 8.49 2q6fA1 GLU 14 HA 0.03 -0.01 0.39 -0.75 4.29 3.94 2q6fA1 GLU 14 HB2 0.02 0.11 0.13 -0.04 2.09 2.31 2q6fA1 GLU 14 HB3 0.04 -0.01 0.05 -0.04 1.99 2.03 2q6fA1 GLU 14 HG2 0.05 -0.06 0.05 -0.04 2.34 2.35 2q6fA1 GLU 14 HG3 0.04 0.14 0.04 -0.04 2.34 2.52 2q6fA1 LYS 15 H 0.00 0.32 -0.30 -0.55 8.42 7.89 2q6fA1 LYS 15 HA 0.05 0.01 0.50 -0.75 4.32 4.13 2q6fA1 LYS 15 HB2 -0.03 0.21 0.08 -0.04 1.87 2.09 2q6fA1 LYS 15 HB3 -0.02 -0.10 0.13 -0.04 1.79 1.76 2q6fA1 LYS 15 HG2 0.01 -0.07 0.04 -0.04 1.46 1.40 2q6fA1 LYS 15 HG3 -0.00 0.22 0.12 -0.04 1.46 1.76 2q6fA1 LYS 15 HD2 -0.02 0.06 0.04 -0.04 1.69 1.72 2q6fA1 LYS 15 HD3 -0.02 -0.06 0.04 -0.04 1.68 1.60 2q6fA1 LYS 15 HE2 -0.01 -0.03 -0.02 -0.04 2.99 2.89 2q6fA1 LYS 15 HE3 0.01 -0.03 -0.00 -0.04 2.99 2.93 2q6fA1 CYS 16 H 0.02 0.46 -0.30 -0.55 8.50 8.12 2q6fA1 CYS 16 HA 0.10 0.19 0.96 -0.75 4.58 5.08 2q6fA1 CYS 16 HB2 0.00 0.03 0.12 -0.04 2.97 3.07 2q6fA1 CYS 16 HB3 -0.03 -0.09 0.16 -0.04 2.97 2.97 2q6fA1 ILE 17 H 0.07 0.28 -0.07 -0.55 8.25 7.98 2q6fA1 ILE 17 HA 0.04 0.23 0.84 -0.75 4.18 4.54 2q6fA1 ILE 17 HB 0.05 0.07 0.14 -0.04 1.89 2.11 2q6fA1 ILE 17 HG12 0.03 -0.07 -0.05 -0.04 1.49 1.36 2q6fA1 ILE 17 HG13 0.02 -0.02 -0.06 -0.04 1.21 1.12 2q6fA1 ILE 17 HG23 0.02 -0.01 -0.19 -0.04 0.93 0.71 2q6fA1 ILE 17 HD13 0.03 -0.05 -0.08 -0.04 0.88 0.74 2q6fA1 VAL 18 H 0.03 0.49 0.34 -0.55 8.24 8.54 2q6fA1 VAL 18 HA 0.02 0.22 0.99 -0.75 4.13 4.61 2q6fA1 VAL 18 HB -0.13 0.07 -0.08 -0.04 2.12 1.94 2q6fA1 VAL 18 HG13 -0.01 -0.01 -0.32 -0.04 0.97 0.59 2q6fA1 VAL 18 HG23 -0.06 -0.01 -0.32 -0.04 0.95 0.52 2q6fA1 SER 19 H -0.03 0.73 0.32 -0.55 8.46 8.93 2q6fA1 SER 19 HA -0.00 0.12 0.73 -0.75 4.49 4.58 2q6fA1 SER 19 HB2 0.01 0.19 -0.19 -0.04 3.95 3.92 2q6fA1 SER 19 HB3 -0.01 0.02 0.16 -0.04 3.93 4.06 2q6fA1 VAL 20 H 0.00 0.68 0.30 -0.55 8.24 8.68 2q6fA1 VAL 20 HA 0.01 0.30 1.00 -0.75 4.13 4.69 2q6fA1 VAL 20 HB -0.01 -0.04 -0.15 -0.04 2.12 1.89 2q6fA1 VAL 20 HG13 0.07 -0.01 -0.30 -0.04 0.97 0.69 2q6fA1 VAL 20 HG23 -0.05 0.00 -0.39 -0.04 0.95 0.47 2q6fA1 SER 21 H 0.07 0.57 0.28 -0.55 8.46 8.83 2q6fA1 SER 21 HA 0.08 0.47 1.18 -0.75 4.49 5.46 2q6fA1 SER 21 HB2 0.02 -0.03 0.06 -0.04 3.95 3.96 2q6fA1 SER 21 HB3 0.02 -0.08 -0.10 -0.04 3.93 3.73 2q6fA1 TYR 22 H 0.11 0.71 0.25 -0.55 8.29 8.81 2q6fA1 TYR 22 HA -0.18 0.22 0.75 -0.75 4.56 4.60 2q6fA1 TYR 22 HB2 -0.10 -0.02 -0.21 -0.04 3.06 2.68 2q6fA1 TYR 22 HB3 0.01 0.23 0.02 -0.04 2.98 3.20 2q6fA1 TYR 22 HD2 -0.58 0.10 -0.16 -0.04 7.15 6.47 2q6fA1 TYR 22 HE2 -0.27 0.01 -0.01 -0.04 6.85 6.54 2q6fA1 ARG 23 H -0.52 0.23 0.13 -0.55 8.46 7.76 2q6fA1 ARG 23 HA -0.27 0.02 0.35 -0.75 4.34 3.69 2q6fA1 ARG 23 HB2 -0.36 0.14 -0.07 -0.04 1.90 1.57 2q6fA1 ARG 23 HB3 -0.22 -0.01 0.20 -0.04 1.80 1.73 2q6fA1 ARG 23 HG2 -0.56 -0.01 0.10 -0.04 1.67 1.17 2q6fA1 ARG 23 HG3 -1.79 -0.00 -0.04 -0.04 1.67 -0.21 2q6fA1 ARG 23 HD2 -0.25 0.04 -0.00 -0.04 3.22 2.97 2q6fA1 ARG 23 HD3 -0.18 -0.01 0.03 -0.04 3.22 3.02 2q6fA1 GLY 24 H -0.08 0.07 -0.29 -0.55 8.43 7.58 2q6fA1 GLY 24 HA2 -0.02 -0.03 0.27 -0.51 4.01 3.72 2q6fA1 GLY 24 HA3 -0.03 0.13 0.55 -0.51 4.01 4.15 2q6fA1 ASN 25 H 0.02 0.69 -0.37 -0.55 8.53 8.33 2q6fA1 ASN 25 HA 0.06 0.04 0.68 -0.75 4.76 4.78 2q6fA1 ASN 25 HB2 0.16 0.19 0.25 -0.04 2.88 3.43 2q6fA1 ASN 25 HB3 0.13 -0.09 0.04 -0.04 2.79 2.83 2q6fA1 ASN 25 HD21 0.11 -0.12 -0.13 -0.04 7.03 6.85 2q6fA1 ASN 25 HD22 0.22 0.26 0.00 -0.04 7.74 8.18 2q6fA1 ASN 26 H 0.06 0.20 0.24 -0.55 8.53 8.48 2q6fA1 ASN 26 HA 0.06 0.40 1.22 -0.75 4.76 5.68 2q6fA1 ASN 26 HB2 0.04 0.03 -0.01 -0.04 2.88 2.90 2q6fA1 ASN 26 HB3 0.04 -0.03 -0.16 -0.04 2.79 2.59 2q6fA1 ASN 26 HD21 0.05 -0.04 0.04 -0.04 7.03 7.05 2q6fA1 ASN 26 HD22 0.04 0.07 0.05 -0.04 7.74 7.85 2q6fA1 LEU 27 H 0.03 0.76 0.37 -0.55 8.37 8.99 2q6fA1 LEU 27 HA 0.02 0.10 0.63 -0.75 4.35 4.35 2q6fA1 LEU 27 HB2 -0.04 0.08 0.14 -0.04 1.64 1.78 2q6fA1 LEU 27 HB3 0.04 -0.04 0.01 -0.04 1.64 1.61 2q6fA1 LEU 27 HG 0.04 -0.02 -0.28 -0.04 1.64 1.34 2q6fA1 LEU 27 HD13 -0.06 0.03 -0.21 -0.04 0.93 0.65 2q6fA1 LEU 27 HD23 -0.06 -0.03 -0.14 -0.04 0.89 0.63 2q6fA1 ASN 28 H -0.06 0.55 0.25 -0.55 8.53 8.73 2q6fA1 ASN 28 HA -0.02 0.22 1.03 -0.75 4.76 5.23 2q6fA1 ASN 28 HB2 -0.07 -0.01 -0.11 -0.04 2.88 2.66 2q6fA1 ASN 28 HB3 -0.03 0.05 -0.03 -0.04 2.79 2.73 2q6fA1 ASN 28 HD21 -0.13 0.24 -0.05 -0.04 7.03 7.06 2q6fA1 ASN 28 HD22 -0.10 0.27 -0.15 -0.04 7.74 7.71 2q6fA1 GLY 29 H -0.03 0.72 0.42 -0.55 8.43 8.99 2q6fA1 GLY 29 HA2 -0.07 0.31 1.07 -0.51 4.01 4.82 2q6fA1 GLY 29 HA3 -0.05 -0.05 0.21 -0.51 4.01 3.61 2q6fA1 LEU 30 H 0.00 0.56 0.39 -0.55 8.37 8.78 2q6fA1 LEU 30 HA -0.03 0.22 0.90 -0.75 4.35 4.68 2q6fA1 LEU 30 HB2 -0.15 0.05 0.09 -0.04 1.64 1.59 2q6fA1 LEU 30 HB3 -0.09 -0.12 0.14 -0.04 1.64 1.54 2q6fA1 LEU 30 HG -0.38 -0.00 -0.03 -0.04 1.64 1.18 2q6fA1 LEU 30 HD13 -1.10 -0.03 -0.08 -0.04 0.93 -0.32 2q6fA1 LEU 30 HD23 -0.34 0.02 -0.07 -0.04 0.89 0.46 2q6fA1 TRP 31 H 0.17 0.89 0.31 -0.55 7.97 8.80 2q6fA1 TRP 31 HA -0.02 0.30 1.04 -0.75 4.62 5.19 2q6fA1 TRP 31 HB2 -0.03 -0.06 -0.08 -0.04 3.23 3.01 2q6fA1 TRP 31 HB3 -0.03 0.05 0.19 -0.04 3.23 3.40 2q6fA1 TRP 31 HD1 -0.03 0.26 -0.18 -0.04 7.22 7.23 2q6fA1 TRP 31 HE1 -0.02 0.12 -0.06 -0.04 10.20 10.21 2q6fA1 TRP 31 HE3 -0.01 0.12 -0.04 -0.04 7.59 7.62 2q6fA1 TRP 31 HZ2 -0.00 0.06 -0.63 -0.04 7.44 6.82 2q6fA1 TRP 31 HZ3 -0.00 -0.05 -0.01 -0.04 7.13 7.03 2q6fA1 TRP 31 HH2 -0.00 -0.04 -0.13 -0.04 7.19 6.99 2q6fA1 LEU 32 H 0.21 0.62 0.24 -0.55 8.37 8.89 2q6fA1 LEU 32 HA -0.22 0.13 0.89 -0.75 4.35 4.39 2q6fA1 LEU 32 HB2 -0.01 -0.03 0.04 -0.04 1.64 1.61 2q6fA1 LEU 32 HB3 -0.36 -0.01 0.00 -0.04 1.64 1.23 2q6fA1 LEU 32 HG -0.24 -0.04 -0.46 -0.04 1.64 0.85 2q6fA1 LEU 32 HD13 -0.87 -0.02 -0.11 -0.04 0.93 -0.10 2q6fA1 LEU 32 HD23 -0.35 0.05 -0.05 -0.04 0.89 0.50 2q6fA1 GLY 33 H -0.18 0.19 0.17 -0.55 8.43 8.06 2q6fA1 GLY 33 HA2 -0.08 0.09 0.38 -0.51 4.01 3.89 2q6fA1 GLY 33 HA3 0.02 0.02 0.47 -0.51 4.01 4.00 2q6fA1 ASP 34 H 0.06 0.12 0.18 -0.55 8.40 8.21 2q6fA1 ASP 34 HA 0.25 0.27 0.86 -0.75 4.63 5.26 2q6fA1 ASP 34 HB2 0.08 0.27 0.12 -0.04 2.71 3.14 2q6fA1 ASP 34 HB3 0.07 -0.06 -0.10 -0.04 2.70 2.57 2q6fA1 SER 35 H 0.15 0.60 -0.15 -0.55 8.46 8.52 2q6fA1 SER 35 HA -0.05 0.28 1.09 -0.75 4.49 5.06 2q6fA1 SER 35 HB2 0.06 0.03 0.05 -0.04 3.95 4.05 2q6fA1 SER 35 HB3 -0.45 -0.00 -0.05 -0.04 3.93 3.39 2q6fA1 ILE 36 H -0.22 0.53 0.31 -0.55 8.25 8.31 2q6fA1 ILE 36 HA 0.07 0.40 1.03 -0.75 4.18 4.93 2q6fA1 ILE 36 HB -0.16 -0.02 0.09 -0.04 1.89 1.75 2q6fA1 ILE 36 HG12 -0.30 -0.02 -0.20 -0.04 1.49 0.93 2q6fA1 ILE 36 HG13 -0.13 0.03 -0.17 -0.04 1.21 0.90 2q6fA1 ILE 36 HG23 -0.10 -0.02 -0.28 -0.04 0.93 0.49 2q6fA1 ILE 36 HD13 -0.11 -0.04 -0.66 -0.04 0.88 0.02 2q6fA1 TYR 37 H 0.18 0.61 0.38 -0.55 8.29 8.91 2q6fA1 TYR 37 HA -0.13 0.35 1.07 -0.75 4.56 5.10 2q6fA1 TYR 37 HB2 -0.20 -0.06 0.13 -0.04 3.06 2.89 2q6fA1 TYR 37 HB3 -0.20 -0.01 0.03 -0.04 2.98 2.75 2q6fA1 TYR 37 HD2 -0.09 0.13 -0.05 -0.04 7.15 7.10 2q6fA1 TYR 37 HE2 0.09 0.01 -0.09 -0.04 6.85 6.82 2q6fA1 CYS 38 H -0.10 0.52 0.33 -0.55 8.50 8.71 2q6fA1 CYS 38 HA -0.16 0.14 0.58 -0.75 4.58 4.39 2q6fA1 CYS 38 HB2 -0.14 0.15 0.10 -0.04 2.97 3.04 2q6fA1 CYS 38 HB3 -0.10 -0.00 -0.27 -0.04 2.97 2.55 2q6fA1 PRO 39 HA -0.44 0.14 0.61 -0.51 4.44 4.24 2q6fA1 PRO 39 HB2 -1.03 -0.03 0.05 -0.04 2.28 1.22 2q6fA1 PRO 39 HB3 -1.32 0.01 0.14 -0.04 2.02 0.81 2q6fA1 PRO 39 HG2 -0.57 0.02 0.09 -0.04 2.03 1.53 2q6fA1 PRO 39 HG3 -0.89 0.03 0.05 -0.04 2.03 1.18 2q6fA1 PRO 39 HD2 -0.30 0.15 0.15 -0.04 3.68 3.64 2q6fA1 PRO 39 HD3 -0.30 0.22 0.27 -0.04 3.65 3.80 2q6fA1 ARG 40 H -0.27 0.63 0.31 -0.55 8.46 8.58 2q6fA1 ARG 40 HA -0.16 0.12 0.36 -0.75 4.34 3.90 2q6fA1 ARG 40 HB2 -0.31 -0.01 -0.04 -0.04 1.90 1.50 2q6fA1 ARG 40 HB3 -0.30 0.02 -0.29 -0.04 1.80 1.19 2q6fA1 ARG 40 HG2 -0.52 0.12 0.13 -0.04 1.67 1.37 2q6fA1 ARG 40 HG3 -1.50 0.01 -0.20 -0.04 1.67 -0.07 2q6fA1 ARG 40 HD2 -1.23 -0.05 -0.09 -0.04 3.22 1.81 2q6fA1 ARG 40 HD3 -0.51 0.11 0.00 -0.04 3.22 2.78 2q6fA1 HIS 41 H -0.34 0.09 -0.24 -0.55 8.41 7.37 2q6fA1 HIS 41 HA 0.44 0.20 0.46 -0.75 4.63 4.97 2q6fA1 HIS 41 HB2 0.25 0.05 0.12 -0.04 3.26 3.64 2q6fA1 HIS 41 HB3 0.12 -0.00 0.13 -0.04 3.20 3.40 2q6fA1 HIS 41 HD2 0.11 -0.05 0.05 -0.04 6.97 7.03 2q6fA1 HIS 41 HE1 -0.07 -0.05 -0.01 -0.04 7.75 7.57 2q6fA1 VAL 42 H -0.03 0.34 -0.85 -0.55 8.24 7.15 2q6fA1 VAL 42 HA 0.20 0.02 0.31 -0.75 4.13 3.90 2q6fA1 VAL 42 HB -0.01 0.04 -0.07 -0.04 2.12 2.04 2q6fA1 VAL 42 HG13 0.07 0.00 -0.25 -0.04 0.97 0.75 2q6fA1 VAL 42 HG23 0.15 -0.02 -0.17 -0.04 0.95 0.87 2q6fA1 LEU 43 H 0.31 0.45 -0.34 -0.55 8.37 8.25 2q6fA1 LEU 43 HA 0.20 0.09 0.47 -0.75 4.35 4.36 2q6fA1 LEU 43 HB2 0.66 0.06 -0.00 -0.04 1.64 2.32 2q6fA1 LEU 43 HB3 0.34 -0.07 -0.05 -0.04 1.64 1.82 2q6fA1 LEU 43 HG 0.13 0.02 -0.04 -0.04 1.64 1.71 2q6fA1 LEU 43 HD13 0.24 -0.03 -0.09 -0.04 0.93 1.01 2q6fA1 LEU 43 HD23 -0.24 0.00 -0.14 -0.04 0.89 0.48 2q6fA1 GLY 44 H 0.39 0.35 -0.30 -0.55 8.43 8.32 2q6fA1 GLY 44 HA2 0.04 0.05 0.22 -0.51 4.01 3.81 2q6fA1 GLY 44 HA3 -0.10 0.16 0.72 -0.51 4.01 4.28 2q6fA1 LYS 45 H -0.40 0.16 0.08 -0.55 8.42 7.71 2q6fA1 LYS 45 HA 0.02 0.16 0.80 -0.75 4.32 4.54 2q6fA1 LYS 45 HB2 -0.21 -0.01 0.25 -0.04 1.87 1.86 2q6fA1 LYS 45 HB3 -0.09 -0.01 0.12 -0.04 1.79 1.77 2q6fA1 LYS 45 HG2 -0.03 0.04 -0.01 -0.04 1.46 1.42 2q6fA1 LYS 45 HG3 -0.08 -0.02 0.03 -0.04 1.46 1.35 2q6fA1 LYS 45 HD2 -0.07 0.00 0.06 -0.04 1.69 1.64 2q6fA1 LYS 45 HD3 -0.05 -0.03 0.05 -0.04 1.68 1.62 2q6fA1 LYS 45 HE2 -0.05 0.00 0.01 -0.04 2.99 2.91 2q6fA1 LYS 45 HE3 -0.04 0.02 0.02 -0.04 2.99 2.95 2q6fA1 PHE 46 H -0.50 0.25 0.08 -0.55 8.34 7.62 2q6fA1 PHE 46 HA -0.35 0.23 0.87 -0.75 4.62 4.61 2q6fA1 PHE 46 HB2 -2.52 0.02 -0.11 -0.04 3.15 0.50 2q6fA1 PHE 46 HB3 -0.89 -0.19 0.07 -0.04 3.06 2.01 2q6fA1 PHE 46 HD2 -0.50 0.02 -0.21 -0.04 7.28 6.55 2q6fA1 PHE 46 HE2 -0.04 0.15 -0.24 -0.04 7.38 7.20 2q6fA1 PHE 46 HZ -0.03 0.06 -0.08 -0.04 7.32 7.23 2q6fA1 SER 47 H -0.30 0.19 0.15 -0.55 8.46 7.95 2q6fA1 SER 47 HA 0.26 0.15 0.46 -0.75 4.49 4.61 2q6fA1 SER 47 HB2 0.07 -0.05 0.06 -0.04 3.95 3.99 2q6fA1 SER 47 HB3 0.06 0.19 -0.12 -0.04 3.93 4.02 2q6fA1 GLY 48 H 0.17 0.18 0.10 -0.55 8.43 8.34 2q6fA1 GLY 48 HA2 0.12 0.10 0.35 -0.51 4.01 4.07 2q6fA1 GLY 48 HA3 0.06 0.02 0.41 -0.51 4.01 3.98 2q6fA1 ASP 49 H 0.03 0.17 0.23 -0.55 8.40 8.27 2q6fA1 ASP 49 HA 0.10 0.16 0.68 -0.75 4.63 4.82 2q6fA1 ASP 49 HB2 0.01 0.01 0.14 -0.04 2.71 2.83 2q6fA1 ASP 49 HB3 0.01 0.02 0.06 -0.04 2.70 2.75 2q6fA1 GLN 50 H -0.10 0.47 -0.03 -0.55 8.47 8.27 2q6fA1 GLN 50 HA -0.17 0.06 0.38 -0.75 4.36 3.87 2q6fA1 GLN 50 HB2 -0.44 -0.08 0.12 -0.04 2.15 1.71 2q6fA1 GLN 50 HB3 -0.49 0.04 0.02 -0.04 2.02 1.54 2q6fA1 GLN 50 HG2 -0.12 0.01 0.05 -0.04 2.40 2.30 2q6fA1 GLN 50 HG3 -0.10 0.06 0.13 -0.04 2.39 2.44 2q6fA1 GLN 50 HE21 0.03 0.05 0.00 -0.04 6.97 7.01 2q6fA1 GLN 50 HE22 -0.04 -0.00 0.01 -0.04 7.69 7.62 2q6fA1 TRP 51 H -0.17 0.19 -0.42 -0.55 7.97 7.03 2q6fA1 TRP 51 HA -0.09 0.07 0.22 -0.75 4.62 4.05 2q6fA1 TRP 51 HB2 0.01 0.01 -0.01 -0.04 3.23 3.20 2q6fA1 TRP 51 HB3 0.01 0.05 -0.10 -0.04 3.23 3.16 2q6fA1 TRP 51 HD1 0.06 0.26 -0.13 -0.04 7.22 7.37 2q6fA1 TRP 51 HE1 0.11 -0.02 -0.22 -0.04 10.20 10.02 2q6fA1 TRP 51 HE3 0.14 0.01 -0.11 -0.04 7.59 7.58 2q6fA1 TRP 51 HZ2 0.16 0.31 -0.00 -0.04 7.44 7.86 2q6fA1 TRP 51 HZ3 0.30 0.08 -0.10 -0.04 7.13 7.37 2q6fA1 TRP 51 HH2 0.19 0.22 0.19 -0.04 7.19 7.75 2q6fA1 GLY 52 H 0.15 0.19 -0.19 -0.55 8.43 8.04 2q6fA1 GLY 52 HA2 0.06 0.04 0.35 -0.51 4.01 3.96 2q6fA1 GLY 52 HA3 0.05 0.06 0.29 -0.51 4.01 3.90 2q6fA1 ASP 53 H -0.04 0.28 -0.19 -0.55 8.40 7.89 2q6fA1 ASP 53 HA -0.04 0.05 0.47 -0.75 4.63 4.36 2q6fA1 ASP 53 HB2 -0.13 0.10 0.15 -0.04 2.71 2.79 2q6fA1 ASP 53 HB3 -0.08 -0.00 0.01 -0.04 2.70 2.58 2q6fA1 VAL 54 H -0.20 0.61 -0.06 -0.55 8.24 8.04 2q6fA1 VAL 54 HA -0.17 0.02 0.37 -0.75 4.13 3.59 2q6fA1 VAL 54 HB -0.25 0.08 0.06 -0.04 2.12 1.96 2q6fA1 VAL 54 HG13 -0.06 0.00 -0.19 -0.04 0.97 0.68 2q6fA1 VAL 54 HG23 -1.31 0.02 -0.08 -0.04 0.95 -0.46 2q6fA1 LEU 55 H 0.00 0.54 -0.14 -0.55 8.37 8.23 2q6fA1 LEU 55 HA 0.03 0.02 0.34 -0.75 4.35 3.99 2q6fA1 LEU 55 HB2 0.05 -0.02 0.01 -0.04 1.64 1.64 2q6fA1 LEU 55 HB3 0.02 0.07 0.05 -0.04 1.64 1.74 2q6fA1 LEU 55 HG -0.02 0.07 -0.25 -0.04 1.64 1.40 2q6fA1 LEU 55 HD13 -0.03 -0.01 -0.09 -0.04 0.93 0.76 2q6fA1 LEU 55 HD23 -0.05 -0.03 -0.24 -0.04 0.89 0.53 2q6fA1 ASN 56 H -0.01 0.38 -0.29 -0.55 8.53 8.06 2q6fA1 ASN 56 HA 0.00 0.02 0.44 -0.75 4.76 4.46 2q6fA1 ASN 56 HB2 -0.02 0.09 0.21 -0.04 2.88 3.12 2q6fA1 ASN 56 HB3 -0.01 -0.06 0.04 -0.04 2.79 2.72 2q6fA1 ASN 56 HD21 -0.00 -0.09 -0.04 -0.04 7.03 6.85 2q6fA1 ASN 56 HD22 -0.01 -0.06 -0.02 -0.04 7.74 7.61 2q6fA1 LEU 57 H -0.01 0.37 -0.27 -0.55 8.37 7.91 2q6fA1 LEU 57 HA 0.01 0.05 0.54 -0.75 4.35 4.19 2q6fA1 LEU 57 HB2 -0.01 0.10 0.11 -0.04 1.64 1.79 2q6fA1 LEU 57 HB3 0.00 -0.09 0.10 -0.04 1.64 1.62 2q6fA1 LEU 57 HG -0.02 0.05 0.01 -0.04 1.64 1.64 2q6fA1 LEU 57 HD13 -0.04 -0.03 -0.04 -0.04 0.93 0.78 2q6fA1 LEU 57 HD23 -0.01 -0.02 -0.00 -0.04 0.89 0.83 2q6fA1 ALA 58 H 0.04 0.27 -0.46 -0.55 8.40 7.70 2q6fA1 ALA 58 HA 0.08 0.01 0.56 -0.75 4.34 4.24 2q6fA1 ALA 58 HB3 0.09 0.02 0.02 -0.04 1.41 1.51 2q6fA1 ASN 59 H 0.00 0.10 0.17 -0.55 8.53 8.26 2q6fA1 ASN 59 HA -0.02 0.25 0.88 -0.75 4.76 5.11 2q6fA1 ASN 59 HB2 -0.45 -0.04 0.10 -0.04 2.88 2.46 2q6fA1 ASN 59 HB3 -0.69 -0.12 0.05 -0.04 2.79 1.99 2q6fA1 ASN 59 HD21 0.01 0.05 -0.01 -0.04 7.03 7.03 2q6fA1 ASN 59 HD22 -0.09 -0.05 0.03 -0.04 7.74 7.59 2q6fA1 ASN 60 H 0.02 0.22 0.12 -0.55 8.53 8.35 2q6fA1 ASN 60 HA 0.28 0.09 0.33 -0.75 4.76 4.71 2q6fA1 ASN 60 HB2 0.08 -0.02 0.08 -0.04 2.88 2.98 2q6fA1 ASN 60 HB3 0.07 0.18 -0.08 -0.04 2.79 2.91 2q6fA1 ASN 60 HD21 0.01 0.04 -0.14 -0.04 7.03 6.90 2q6fA1 ASN 60 HD22 0.04 0.02 -0.05 -0.04 7.74 7.71 2q6fA1 HIS 61 H -0.16 0.05 -0.18 -0.55 8.41 7.58 2q6fA1 HIS 61 HA 0.07 0.18 0.53 -0.75 4.63 4.65 2q6fA1 HIS 61 HB2 0.02 0.03 0.11 -0.04 3.26 3.38 2q6fA1 HIS 61 HB3 0.03 0.00 0.08 -0.04 3.20 3.27 2q6fA1 HIS 61 HD2 -0.01 0.03 -0.25 -0.04 6.97 6.70 2q6fA1 HIS 61 HE1 0.02 0.03 0.00 -0.04 7.75 7.75 2q6fA1 GLU 62 H -0.15 0.35 -0.54 -0.55 8.60 7.70 2q6fA1 GLU 62 HA -0.07 0.05 0.49 -0.75 4.29 4.00 2q6fA1 GLU 62 HB2 -0.21 0.16 0.07 -0.04 2.09 2.07 2q6fA1 GLU 62 HB3 -0.32 -0.09 0.10 -0.04 1.99 1.64 2q6fA1 GLU 62 HG2 -0.17 -0.00 0.01 -0.04 2.34 2.14 2q6fA1 GLU 62 HG3 -0.26 -0.08 0.12 -0.04 2.34 2.08 2q6fA1 PHE 63 H 0.16 0.27 -0.22 -0.55 8.34 7.99 2q6fA1 PHE 63 HA 0.14 0.20 0.73 -0.75 4.62 4.93 2q6fA1 PHE 63 HB2 -0.00 0.10 0.19 -0.04 3.15 3.39 2q6fA1 PHE 63 HB3 -0.01 -0.02 -0.07 -0.04 3.06 2.92 2q6fA1 PHE 63 HD2 -0.02 0.04 -0.04 -0.04 7.28 7.23 2q6fA1 PHE 63 HE2 -0.24 -0.01 -0.24 -0.04 7.38 6.85 2q6fA1 PHE 63 HZ -0.43 -0.01 -0.13 -0.04 7.32 6.71 2q6fA1 GLU 64 H 0.09 0.75 0.35 -0.55 8.60 9.25 2q6fA1 GLU 64 HA 0.04 0.12 0.77 -0.75 4.29 4.46 2q6fA1 GLU 64 HB2 0.02 -0.07 0.20 -0.04 2.09 2.20 2q6fA1 GLU 64 HB3 0.01 -0.02 -0.04 -0.04 1.99 1.89 2q6fA1 GLU 64 HG2 0.01 0.03 -0.10 -0.04 2.34 2.24 2q6fA1 GLU 64 HG3 -0.00 0.15 -0.09 -0.04 2.34 2.37 2q6fA1 VAL 65 H -0.02 0.27 0.13 -0.55 8.24 8.08 2q6fA1 VAL 65 HA -0.06 0.42 1.09 -0.75 4.13 4.82 2q6fA1 VAL 65 HB -0.15 0.09 0.18 -0.04 2.12 2.19 2q6fA1 VAL 65 HG13 -0.28 -0.01 -0.21 -0.04 0.97 0.43 2q6fA1 VAL 65 HG23 -0.06 -0.00 -0.21 -0.04 0.95 0.64 2q6fA1 VAL 66 H -0.07 0.65 0.29 -0.55 8.24 8.56 2q6fA1 VAL 66 HA -0.10 0.30 1.08 -0.75 4.13 4.66 2q6fA1 VAL 66 HB -0.02 -0.01 0.01 -0.04 2.12 2.06 2q6fA1 VAL 66 HG13 -0.02 0.06 -0.25 -0.04 0.97 0.72 2q6fA1 VAL 66 HG23 -0.02 0.00 -0.35 -0.04 0.95 0.54 2q6fA1 THR 67 H -0.09 0.53 0.24 -0.55 8.28 8.41 2q6fA1 THR 67 HA -0.04 0.22 0.65 -0.75 4.39 4.47 2q6fA1 THR 67 HB 0.11 0.03 0.21 -0.04 4.32 4.62 2q6fA1 THR 67 HG23 -0.25 0.08 -0.00 -0.04 1.22 1.01 2q6fA1 GLN 68 H 0.07 0.28 0.24 -0.55 8.47 8.52 2q6fA1 GLN 68 HA 0.03 0.18 0.49 -0.75 4.36 4.31 2q6fA1 GLN 68 HB2 0.06 -0.03 0.14 -0.04 2.15 2.28 2q6fA1 GLN 68 HB3 0.05 -0.03 0.13 -0.04 2.02 2.13 2q6fA1 GLN 68 HG2 0.05 0.02 0.02 -0.04 2.40 2.44 2q6fA1 GLN 68 HG3 0.06 0.11 0.21 -0.04 2.39 2.73 2q6fA1 GLN 68 HE21 0.06 0.02 0.30 -0.04 6.97 7.30 2q6fA1 GLN 68 HE22 0.07 0.47 0.29 -0.04 7.69 8.48 2q6fA1 ASN 69 H 0.05 -0.03 -0.28 -0.55 8.53 7.73 2q6fA1 ASN 69 HA 0.04 0.18 0.59 -0.75 4.76 4.82 2q6fA1 ASN 69 HB2 0.06 -0.09 0.04 -0.04 2.88 2.85 2q6fA1 ASN 69 HB3 0.04 0.03 0.06 -0.04 2.79 2.88 2q6fA1 ASN 69 HD21 0.07 0.03 0.01 -0.04 7.03 7.10 2q6fA1 ASN 69 HD22 0.11 -0.02 0.02 -0.04 7.74 7.81 2q6fA1 GLY 70 H 0.01 0.32 -0.44 -0.55 8.43 7.78 2q6fA1 GLY 70 HA2 0.00 0.09 0.19 -0.51 4.01 3.79 2q6fA1 GLY 70 HA3 0.01 0.16 0.64 -0.51 4.01 4.31 2q6fA1 VAL 71 H 0.00 -0.08 -0.12 -0.55 8.24 7.50 2q6fA1 VAL 71 HA -0.01 0.16 0.65 -0.75 4.13 4.17 2q6fA1 VAL 71 HB -0.01 -0.09 0.04 -0.04 2.12 2.03 2q6fA1 VAL 71 HG13 -0.00 0.04 -0.15 -0.04 0.97 0.82 2q6fA1 VAL 71 HG23 0.03 0.00 -0.11 -0.04 0.95 0.83 2q6fA1 THR 72 H -0.03 0.15 0.19 -0.55 8.28 8.04 2q6fA1 THR 72 HA -0.07 0.33 0.82 -0.75 4.39 4.72 2q6fA1 THR 72 HB -0.02 -0.07 0.16 -0.04 4.32 4.35 2q6fA1 THR 72 HG23 -0.02 -0.01 -0.16 -0.04 1.22 0.98 2q6fA1 LEU 73 H -0.15 0.79 0.29 -0.55 8.37 8.75 2q6fA1 LEU 73 HA -0.11 0.05 0.86 -0.75 4.35 4.40 2q6fA1 LEU 73 HB2 -0.34 0.02 0.06 -0.04 1.64 1.34 2q6fA1 LEU 73 HB3 -0.27 0.03 -0.07 -0.04 1.64 1.28 2q6fA1 LEU 73 HG -0.37 -0.01 -0.09 -0.04 1.64 1.13 2q6fA1 LEU 73 HD13 -0.28 0.04 -0.36 -0.04 0.93 0.30 2q6fA1 LEU 73 HD23 -1.67 0.00 -0.17 -0.04 0.89 -0.99 2q6fA1 ASN 74 H -0.03 0.10 0.13 -0.55 8.53 8.18 2q6fA1 ASN 74 HA 0.00 0.10 0.45 -0.75 4.76 4.57 2q6fA1 ASN 74 HB2 0.00 -0.10 0.11 -0.04 2.88 2.85 2q6fA1 ASN 74 HB3 0.02 0.08 -0.01 -0.04 2.79 2.83 2q6fA1 ASN 74 HD21 0.00 0.01 0.02 -0.04 7.03 7.02 2q6fA1 ASN 74 HD22 0.01 -0.03 0.03 -0.04 7.74 7.70 2q6fA1 VAL 75 H 0.03 0.20 0.20 -0.55 8.24 8.13 2q6fA1 VAL 75 HA -0.04 0.23 0.83 -0.75 4.13 4.39 2q6fA1 VAL 75 HB 0.07 0.14 0.22 -0.04 2.12 2.51 2q6fA1 VAL 75 HG13 -0.13 -0.04 -0.02 -0.04 0.97 0.74 2q6fA1 VAL 75 HG23 -0.02 0.01 -0.02 -0.04 0.95 0.89 2q6fA1 VAL 76 H -0.03 0.72 0.34 -0.55 8.24 8.72 2q6fA1 VAL 76 HA 0.01 0.17 0.95 -0.75 4.13 4.50 2q6fA1 VAL 76 HB 0.00 -0.03 0.05 -0.04 2.12 2.10 2q6fA1 VAL 76 HG13 0.01 -0.00 -0.18 -0.04 0.97 0.75 2q6fA1 VAL 76 HG23 -0.01 0.04 -0.32 -0.04 0.95 0.62 2q6fA1 SER 77 H -0.06 0.32 0.27 -0.55 8.46 8.44 2q6fA1 SER 77 HA -0.04 0.12 0.46 -0.75 4.49 4.27 2q6fA1 SER 77 HB2 -0.04 0.02 0.15 -0.04 3.95 4.04 2q6fA1 SER 77 HB3 -0.03 0.08 -0.21 -0.04 3.93 3.72 2q6fA1 ARG 78 H -0.08 0.30 0.21 -0.55 8.46 8.34 2q6fA1 ARG 78 HA -0.21 0.30 0.94 -0.75 4.34 4.62 2q6fA1 ARG 78 HB2 -0.36 0.01 -0.01 -0.04 1.90 1.51 2q6fA1 ARG 78 HB3 -0.30 -0.01 -0.25 -0.04 1.80 1.19 2q6fA1 ARG 78 HG2 -0.07 -0.07 0.04 -0.04 1.67 1.53 2q6fA1 ARG 78 HG3 -0.09 -0.00 -0.24 -0.04 1.67 1.30 2q6fA1 ARG 78 HD2 0.05 0.20 -0.13 -0.04 3.22 3.29 2q6fA1 ARG 78 HD3 -0.04 -0.04 -0.23 -0.04 3.22 2.87 2q6fA1 ARG 79 H -0.17 0.52 0.33 -0.55 8.46 8.59 2q6fA1 ARG 79 HA -0.07 0.08 0.54 -0.75 4.34 4.14 2q6fA1 ARG 79 HB2 -0.05 -0.00 0.11 -0.04 1.90 1.93 2q6fA1 ARG 79 HB3 -0.06 0.09 -0.13 -0.04 1.80 1.66 2q6fA1 ARG 79 HG2 -0.11 0.06 -0.08 -0.04 1.67 1.51 2q6fA1 ARG 79 HG3 -0.07 -0.00 -0.31 -0.04 1.67 1.24 2q6fA1 ARG 79 HD2 -0.04 0.01 -0.08 -0.04 3.22 3.08 2q6fA1 ARG 79 HD3 -0.05 -0.01 -0.13 -0.04 3.22 2.99 2q6fA1 LEU 80 H -0.04 0.16 0.18 -0.55 8.37 8.12 2q6fA1 LEU 80 HA -0.09 0.28 1.00 -0.75 4.35 4.79 2q6fA1 LEU 80 HB2 -0.01 -0.06 0.09 -0.04 1.64 1.62 2q6fA1 LEU 80 HB3 -0.05 0.13 -0.05 -0.04 1.64 1.63 2q6fA1 LEU 80 HG -0.01 -0.03 -0.17 -0.04 1.64 1.38 2q6fA1 LEU 80 HD13 0.10 0.01 -0.22 -0.04 0.93 0.77 2q6fA1 LEU 80 HD23 -0.08 0.03 -0.16 -0.04 0.89 0.64 2q6fA1 LYS 81 H -0.07 0.75 0.10 -0.55 8.42 8.64 2q6fA1 LYS 81 HA -0.03 0.08 0.75 -0.75 4.32 4.37 2q6fA1 LYS 81 HB2 -0.01 -0.00 -0.13 -0.04 1.87 1.69 2q6fA1 LYS 81 HB3 -0.01 -0.01 0.03 -0.04 1.79 1.75 2q6fA1 LYS 81 HG2 -0.01 0.33 -0.08 -0.04 1.46 1.65 2q6fA1 LYS 81 HG3 -0.00 -0.05 0.04 -0.04 1.46 1.41 2q6fA1 LYS 81 HD2 0.06 -0.01 -0.05 -0.04 1.69 1.64 2q6fA1 LYS 81 HD3 0.08 0.00 -0.05 -0.04 1.68 1.68 2q6fA1 LYS 81 HE2 0.09 -0.03 -0.01 -0.04 2.99 3.00 2q6fA1 LYS 81 HE3 0.03 0.01 0.04 -0.04 2.99 3.03 2q6fA1 GLY 82 H -0.04 0.12 0.04 -0.55 8.43 8.00 2q6fA1 GLY 82 HA2 -0.04 -0.00 0.33 -0.51 4.01 3.79 2q6fA1 GLY 82 HA3 -0.07 0.14 0.48 -0.51 4.01 4.05 2q6fA1 ALA 83 H -0.14 0.75 0.38 -0.55 8.40 8.84 2q6fA1 ALA 83 HA -0.27 0.14 0.70 -0.75 4.34 4.15 2q6fA1 ALA 83 HB3 -0.13 -0.02 0.14 -0.04 1.41 1.36 2q6fA1 VAL 84 H -0.13 0.52 -0.40 -0.55 8.24 7.69 2q6fA1 VAL 84 HA -0.13 0.13 1.06 -0.75 4.13 4.43 2q6fA1 VAL 84 HB -0.08 0.14 -0.02 -0.04 2.12 2.12 2q6fA1 VAL 84 HG13 -0.02 0.01 -0.23 -0.04 0.97 0.70 2q6fA1 VAL 84 HG23 -0.13 -0.04 -0.19 -0.04 0.95 0.54 2q6fA1 LEU 85 H -0.16 0.74 0.24 -0.55 8.37 8.64 2q6fA1 LEU 85 HA -0.15 0.16 0.84 -0.75 4.35 4.45 2q6fA1 LEU 85 HB2 -0.14 -0.09 -0.08 -0.04 1.64 1.29 2q6fA1 LEU 85 HB3 -0.17 0.05 -0.08 -0.04 1.64 1.41 2q6fA1 LEU 85 HG -0.30 0.01 -0.33 -0.04 1.64 0.98 2q6fA1 LEU 85 HD13 -0.22 0.04 -0.08 -0.04 0.93 0.63 2q6fA1 LEU 85 HD23 -0.22 0.00 -0.17 -0.04 0.89 0.46 2q6fA1 ILE 86 H -0.18 0.68 0.31 -0.55 8.25 8.51 2q6fA1 ILE 86 HA -0.36 0.38 1.08 -0.75 4.18 4.52 2q6fA1 ILE 86 HB -0.18 -0.05 0.06 -0.04 1.89 1.68 2q6fA1 ILE 86 HG12 -0.29 0.03 -0.18 -0.04 1.49 1.01 2q6fA1 ILE 86 HG13 -0.12 -0.05 -0.45 -0.04 1.21 0.55 2q6fA1 ILE 86 HG23 -0.46 -0.01 -0.19 -0.04 0.93 0.22 2q6fA1 ILE 86 HD13 0.01 -0.01 -0.16 -0.04 0.88 0.68 2q6fA1 LEU 87 H -0.28 0.67 0.30 -0.55 8.37 8.52 2q6fA1 LEU 87 HA -0.25 0.22 1.06 -0.75 4.35 4.62 2q6fA1 LEU 87 HB2 -0.21 -0.03 0.07 -0.04 1.64 1.42 2q6fA1 LEU 87 HB3 -0.25 0.05 0.04 -0.04 1.64 1.44 2q6fA1 LEU 87 HG -0.32 -0.01 -0.24 -0.04 1.64 1.03 2q6fA1 LEU 87 HD13 -0.24 0.00 -0.16 -0.04 0.93 0.49 2q6fA1 LEU 87 HD23 -0.77 0.01 -0.12 -0.04 0.89 -0.03 2q6fA1 GLN 88 H -0.13 0.49 0.29 -0.55 8.47 8.57 2q6fA1 GLN 88 HA -0.07 0.32 1.04 -0.75 4.36 4.90 2q6fA1 GLN 88 HB2 -0.07 -0.05 -0.00 -0.04 2.15 1.99 2q6fA1 GLN 88 HB3 -0.05 -0.14 0.08 -0.04 2.02 1.86 2q6fA1 GLN 88 HG2 -0.00 0.24 -0.00 -0.04 2.40 2.59 2q6fA1 GLN 88 HG3 -0.01 0.00 0.06 -0.04 2.39 2.40 2q6fA1 GLN 88 HE21 -0.00 -0.06 -0.06 -0.04 6.97 6.81 2q6fA1 GLN 88 HE22 0.01 0.10 -0.03 -0.04 7.69 7.73 2q6fA1 THR 89 H 0.02 0.63 0.26 -0.55 8.28 8.64 2q6fA1 THR 89 HA -0.03 0.24 1.05 -0.75 4.39 4.90 2q6fA1 THR 89 HB -0.02 -0.17 0.08 -0.04 4.32 4.17 2q6fA1 THR 89 HG23 -0.17 0.02 -0.30 -0.04 1.22 0.73 2q6fA1 ALA 90 H 0.01 0.27 0.17 -0.55 8.40 8.31 2q6fA1 ALA 90 HA 0.03 0.10 0.54 -0.75 4.34 4.26 2q6fA1 ALA 90 HB3 0.02 -0.01 0.06 -0.04 1.41 1.45 2q6fA1 VAL 91 H 0.07 0.05 -0.04 -0.55 8.24 7.77 2q6fA1 VAL 91 HA 0.11 0.14 0.80 -0.75 4.13 4.42 2q6fA1 VAL 91 HB 0.19 0.07 -0.02 -0.04 2.12 2.32 2q6fA1 VAL 91 HG13 0.06 -0.01 -0.05 -0.04 0.97 0.93 2q6fA1 VAL 91 HG23 0.12 -0.01 -0.04 -0.04 0.95 0.98 2q6fA1 ALA 92 H 0.12 0.11 0.08 -0.55 8.40 8.16 2q6fA1 ALA 92 HA 0.23 0.34 0.66 -0.75 4.34 4.81 2q6fA1 ALA 92 HB3 0.01 -0.02 -0.15 -0.04 1.41 1.21 2q6fA1 ASN 93 H -0.50 0.67 0.14 -0.55 8.53 8.28 2q6fA1 ASN 93 HA -1.39 0.06 0.55 -0.75 4.76 3.22 2q6fA1 ASN 93 HB2 -3.24 0.11 -0.03 -0.04 2.88 -0.33 2q6fA1 ASN 93 HB3 -0.91 -0.17 0.14 -0.04 2.79 1.81 2q6fA1 ASN 93 HD21 -0.29 0.10 -0.18 -0.04 7.03 6.63 2q6fA1 ASN 93 HD22 -0.56 0.48 0.10 -0.04 7.74 7.71 2q6fA1 ALA 94 H -0.26 0.23 0.18 -0.55 8.40 8.01 2q6fA1 ALA 94 HA -0.12 0.08 0.39 -0.75 4.34 3.94 2q6fA1 ALA 94 HB3 -0.06 0.01 0.09 -0.04 1.41 1.41 2q6fA1 GLU 95 H -0.28 0.04 -0.39 -0.55 8.60 7.43 2q6fA1 GLU 95 HA -0.09 0.22 0.76 -0.75 4.29 4.42 2q6fA1 GLU 95 HB2 -0.13 0.06 0.06 -0.04 2.09 2.03 2q6fA1 GLU 95 HB3 -0.07 0.01 0.14 -0.04 1.99 2.03 2q6fA1 GLU 95 HG2 -0.05 0.04 -0.09 -0.04 2.34 2.20 2q6fA1 GLU 95 HG3 -0.08 -0.11 -0.11 -0.04 2.34 2.01 2q6fA1 THR 96 H -0.16 0.24 -0.42 -0.55 8.28 7.39 2q6fA1 THR 96 HA -0.13 0.15 0.58 -0.75 4.39 4.23 2q6fA1 THR 96 HB -0.06 0.01 0.14 -0.04 4.32 4.36 2q6fA1 THR 96 HG23 0.07 0.05 -0.01 -0.04 1.22 1.28 2q6fA1 PRO 97 HA 0.01 0.10 0.58 -0.51 4.44 4.62 2q6fA1 PRO 97 HB2 0.01 0.05 0.05 -0.04 2.28 2.35 2q6fA1 PRO 97 HB3 -0.01 0.01 0.05 -0.04 2.02 2.03 2q6fA1 PRO 97 HG2 0.12 -0.01 -0.15 -0.04 2.03 1.95 2q6fA1 PRO 97 HG3 0.01 -0.00 -0.06 -0.04 2.03 1.94 2q6fA1 PRO 97 HD2 -0.01 0.02 0.22 -0.04 3.68 3.87 2q6fA1 PRO 97 HD3 -0.03 0.36 0.26 -0.04 3.65 4.20 2q6fA1 LYS 98 H 0.01 0.13 0.19 -0.55 8.42 8.19 2q6fA1 LYS 98 HA -0.05 0.06 0.57 -0.75 4.32 4.15 2q6fA1 LYS 98 HB2 -0.02 0.10 0.29 -0.04 1.87 2.19 2q6fA1 LYS 98 HB3 -0.06 -0.01 0.04 -0.04 1.79 1.72 2q6fA1 LYS 98 HG2 -0.07 0.00 0.09 -0.04 1.46 1.44 2q6fA1 LYS 98 HG3 -0.03 -0.01 0.09 -0.04 1.46 1.46 2q6fA1 LYS 98 HD2 -0.04 -0.03 0.03 -0.04 1.69 1.60 2q6fA1 LYS 98 HD3 -0.03 0.05 0.03 -0.04 1.68 1.69 2q6fA1 LYS 98 HE2 -0.07 -0.00 -0.04 -0.04 2.99 2.83 2q6fA1 LYS 98 HE3 -0.08 -0.01 0.01 -0.04 2.99 2.87 2q6fA1 TYR 99 H -0.35 0.23 0.26 -0.55 8.29 7.88 2q6fA1 TYR 99 HA -0.10 0.07 0.81 -0.75 4.56 4.59 2q6fA1 TYR 99 HB2 0.09 0.03 0.15 -0.04 3.06 3.30 2q6fA1 TYR 99 HB3 0.06 0.03 -0.27 -0.04 2.98 2.76 2q6fA1 TYR 99 HD2 -0.06 0.22 -0.14 -0.04 7.15 7.12 2q6fA1 TYR 99 HE2 -0.54 -0.03 -0.08 -0.04 6.85 6.16 2q6fA1 LYS 100 H 0.13 0.57 0.32 -0.55 8.42 8.89 2q6fA1 LYS 100 HA -0.20 0.08 0.56 -0.75 4.32 4.01 2q6fA1 LYS 100 HB2 -0.12 0.10 -0.25 -0.04 1.87 1.56 2q6fA1 LYS 100 HB3 -0.07 -0.07 -0.11 -0.04 1.79 1.50 2q6fA1 LYS 100 HG2 -0.03 0.06 -0.28 -0.04 1.46 1.16 2q6fA1 LYS 100 HG3 -0.10 0.01 0.06 -0.04 1.46 1.39 2q6fA1 LYS 100 HD2 -0.07 0.02 -0.07 -0.04 1.69 1.53 2q6fA1 LYS 100 HD3 -0.05 -0.05 -0.13 -0.04 1.68 1.41 2q6fA1 LYS 100 HE2 -0.02 -0.02 -0.04 -0.04 2.99 2.86 2q6fA1 LYS 100 HE3 -0.02 0.01 -0.06 -0.04 2.99 2.88 2q6fA1 PHE 101 H 0.00 0.19 0.12 -0.55 8.34 8.10 2q6fA1 PHE 101 HA 0.01 0.20 0.85 -0.75 4.62 4.93 2q6fA1 PHE 101 HB2 -0.01 0.00 0.14 -0.04 3.15 3.25 2q6fA1 PHE 101 HB3 -0.03 -0.07 -0.05 -0.04 3.06 2.86 2q6fA1 PHE 101 HD2 0.07 0.00 -0.16 -0.04 7.28 7.15 2q6fA1 PHE 101 HE2 -0.33 0.04 -0.08 -0.04 7.38 6.97 2q6fA1 PHE 101 HZ -1.07 0.04 -0.07 -0.04 7.32 6.17 2q6fA1 VAL 102 H -0.07 0.67 0.28 -0.55 8.24 8.56 2q6fA1 VAL 102 HA 0.04 0.16 0.90 -0.75 4.13 4.48 2q6fA1 VAL 102 HB -0.53 -0.03 -0.16 -0.04 2.12 1.36 2q6fA1 VAL 102 HG13 0.16 0.03 -0.12 -0.04 0.97 1.01 2q6fA1 VAL 102 HG23 -0.12 0.03 -0.33 -0.04 0.95 0.49 2q6fA1 LYS 103 H 0.12 0.16 0.12 -0.55 8.42 8.27 2q6fA1 LYS 103 HA 0.25 0.14 0.80 -0.75 4.32 4.76 2q6fA1 LYS 103 HB2 0.04 -0.02 0.05 -0.04 1.87 1.90 2q6fA1 LYS 103 HB3 0.10 -0.02 0.13 -0.04 1.79 1.96 2q6fA1 LYS 103 HG2 0.11 -0.03 -0.10 -0.04 1.46 1.40 2q6fA1 LYS 103 HG3 0.28 0.18 -0.42 -0.04 1.46 1.45 2q6fA1 LYS 103 HD2 0.06 0.05 -0.01 -0.04 1.69 1.75 2q6fA1 LYS 103 HD3 -0.21 -0.04 0.04 -0.04 1.68 1.43 2q6fA1 LYS 103 HE2 -0.08 -0.05 -0.02 -0.04 2.99 2.80 2q6fA1 LYS 103 HE3 -0.00 0.00 -0.03 -0.04 2.99 2.92 2q6fA1 ALA 104 H 0.57 0.19 0.14 -0.55 8.40 8.75 2q6fA1 ALA 104 HA 0.21 0.05 0.56 -0.75 4.34 4.41 2q6fA1 ALA 104 HB3 -0.02 0.01 -0.02 -0.04 1.41 1.35 2q6fA1 ASN 105 H 0.09 0.09 0.16 -0.55 8.53 8.33 2q6fA1 ASN 105 HA 0.12 0.17 0.73 -0.75 4.76 5.03 2q6fA1 ASN 105 HB2 0.06 -0.04 0.07 -0.04 2.88 2.92 2q6fA1 ASN 105 HB3 0.06 0.04 0.08 -0.04 2.79 2.92 2q6fA1 ASN 105 HD21 0.07 0.02 -0.01 -0.04 7.03 7.07 2q6fA1 ASN 105 HD22 0.07 -0.04 0.01 -0.04 7.74 7.74 2q6fA1 CYS 106 H 0.06 0.13 0.11 -0.55 8.50 8.25 2q6fA1 CYS 106 HA 0.02 0.21 0.25 -0.75 4.58 4.31 2q6fA1 CYS 106 HB2 0.05 0.07 0.06 -0.04 2.97 3.11 2q6fA1 CYS 106 HB3 0.04 -0.04 0.13 -0.04 2.97 3.06 2q6fA1 GLY 107 H -0.02 0.80 0.29 -0.55 8.43 8.95 2q6fA1 GLY 107 HA2 -0.02 0.01 0.36 -0.51 4.01 3.84 2q6fA1 GLY 107 HA3 -0.00 0.05 0.67 -0.51 4.01 4.21 2q6fA1 ASP 108 H -0.01 0.61 -0.22 -0.55 8.40 8.23 2q6fA1 ASP 108 HA -0.04 -0.02 0.51 -0.75 4.63 4.33 2q6fA1 ASP 108 HB2 -0.02 0.08 0.15 -0.04 2.71 2.87 2q6fA1 ASP 108 HB3 -0.14 0.03 -0.03 -0.04 2.70 2.52 2q6fA1 SER 109 H -0.08 0.09 0.25 -0.55 8.46 8.18 2q6fA1 SER 109 HA -0.29 0.29 1.18 -0.75 4.49 4.91 2q6fA1 SER 109 HB2 -0.11 0.02 0.01 -0.04 3.95 3.83 2q6fA1 SER 109 HB3 -0.07 -0.16 0.17 -0.04 3.93 3.83 2q6fA1 PHE 110 H -0.61 0.60 0.35 -0.55 8.34 8.13 2q6fA1 PHE 110 HA -0.18 0.12 0.63 -0.75 4.62 4.43 2q6fA1 PHE 110 HB2 -0.09 0.04 0.01 -0.04 3.15 3.07 2q6fA1 PHE 110 HB3 -0.58 0.03 -0.23 -0.04 3.06 2.24 2q6fA1 PHE 110 HD2 -0.33 0.03 -0.41 -0.04 7.28 6.53 2q6fA1 PHE 110 HE2 -0.25 0.00 -0.24 -0.04 7.38 6.85 2q6fA1 PHE 110 HZ -0.42 0.02 -0.28 -0.04 7.32 6.60 2q6fA1 THR 111 H -0.10 0.90 0.45 -0.55 8.28 8.98 2q6fA1 THR 111 HA -0.19 0.26 1.11 -0.75 4.39 4.82 2q6fA1 THR 111 HB -1.00 0.09 0.20 -0.04 4.32 3.57 2q6fA1 THR 111 HG23 -0.22 0.03 -0.21 -0.04 1.22 0.77 2q6fA1 ILE 112 H -0.28 0.72 0.39 -0.55 8.25 8.53 2q6fA1 ILE 112 HA 0.12 0.21 0.87 -0.75 4.18 4.62 2q6fA1 ILE 112 HB -0.95 0.06 0.11 -0.04 1.89 1.07 2q6fA1 ILE 112 HG12 -0.14 -0.01 -0.20 -0.04 1.49 1.10 2q6fA1 ILE 112 HG13 -0.07 -0.04 -0.19 -0.04 1.21 0.88 2q6fA1 ILE 112 HG23 -0.15 -0.02 -0.37 -0.04 0.93 0.35 2q6fA1 ILE 112 HD13 0.29 -0.00 -0.30 -0.04 0.88 0.83 2q6fA1 ALA 113 H 0.22 0.79 0.25 -0.55 8.40 9.11 2q6fA1 ALA 113 HA 0.10 0.15 0.81 -0.75 4.34 4.64 2q6fA1 ALA 113 HB3 0.25 -0.03 0.09 -0.04 1.41 1.68 2q6fA1 CYS 114 H -0.05 0.46 0.10 -0.55 8.50 8.47 2q6fA1 CYS 114 HA 0.20 -0.01 0.43 -0.75 4.58 4.44 2q6fA1 CYS 114 HB2 0.02 0.00 0.00 -0.04 2.97 2.95 2q6fA1 CYS 114 HB3 0.14 -0.06 0.11 -0.04 2.97 3.12 2q6fA1 SER 115 H -0.07 0.17 0.31 -0.55 8.46 8.34 2q6fA1 SER 115 HA 0.02 0.23 1.19 -0.75 4.49 5.18 2q6fA1 SER 115 HB2 -0.05 -0.01 -0.04 -0.04 3.95 3.81 2q6fA1 SER 115 HB3 0.00 -0.04 -0.28 -0.04 3.93 3.57 2q6fA1 TYR 116 H 0.12 0.68 0.28 -0.55 8.29 8.82 2q6fA1 TYR 116 HA 0.05 0.30 0.81 -0.75 4.56 4.97 2q6fA1 TYR 116 HB2 0.06 0.00 0.04 -0.04 3.06 3.12 2q6fA1 TYR 116 HB3 0.05 0.02 -0.03 -0.04 2.98 2.97 2q6fA1 TYR 116 HD2 0.07 0.01 -0.16 -0.04 7.15 7.04 2q6fA1 TYR 116 HE2 0.11 0.04 -0.28 -0.04 6.85 6.68 2q6fA1 GLY 117 H 0.12 0.27 0.09 -0.55 8.43 8.37 2q6fA1 GLY 117 HA2 0.06 0.05 0.27 -0.51 4.01 3.88 2q6fA1 GLY 117 HA3 0.08 0.07 0.34 -0.51 4.01 3.99 2q6fA1 GLY 118 H 0.04 0.04 -0.55 -0.55 8.43 7.41 2q6fA1 GLY 118 HA2 0.02 0.05 -0.09 -0.51 4.01 3.48 2q6fA1 GLY 118 HA3 0.03 0.12 0.30 -0.51 4.01 3.94 2q6fA1 THR 119 H 0.07 0.40 -0.31 -0.55 8.28 7.89 2q6fA1 THR 119 HA 0.06 0.21 0.94 -0.75 4.39 4.85 2q6fA1 THR 119 HB 0.09 0.06 0.01 -0.04 4.32 4.43 2q6fA1 THR 119 HG23 0.07 -0.00 -0.19 -0.04 1.22 1.05 2q6fA1 VAL 120 H 0.06 0.19 0.11 -0.55 8.24 8.05 2q6fA1 VAL 120 HA 0.08 0.15 0.55 -0.75 4.13 4.15 2q6fA1 VAL 120 HB 0.07 -0.02 0.13 -0.04 2.12 2.26 2q6fA1 VAL 120 HG13 0.09 -0.02 -0.19 -0.04 0.97 0.81 2q6fA1 VAL 120 HG23 0.06 0.01 -0.08 -0.04 0.95 0.91 2q6fA1 ILE 121 H 0.14 0.57 0.40 -0.55 8.25 8.80 2q6fA1 ILE 121 HA 0.10 0.15 0.76 -0.75 4.18 4.44 2q6fA1 ILE 121 HB 0.13 -0.04 0.07 -0.04 1.89 2.01 2q6fA1 ILE 121 HG12 0.49 -0.06 -0.09 -0.04 1.49 1.79 2q6fA1 ILE 121 HG13 0.26 0.29 0.08 -0.04 1.21 1.79 2q6fA1 ILE 121 HG23 0.18 0.02 -0.07 -0.04 0.93 1.03 2q6fA1 ILE 121 HD13 0.21 -0.01 -0.29 -0.04 0.88 0.75 2q6fA1 GLY 122 H 0.10 0.35 0.17 -0.55 8.43 8.51 2q6fA1 GLY 122 HA2 0.08 0.07 0.42 -0.51 4.01 4.07 2q6fA1 GLY 122 HA3 0.11 0.07 0.35 -0.51 4.01 4.02 2q6fA1 LEU 123 H 0.07 0.26 0.23 -0.55 8.37 8.38 2q6fA1 LEU 123 HA -0.12 0.32 1.08 -0.75 4.35 4.88 2q6fA1 LEU 123 HB2 0.03 -0.02 -0.01 -0.04 1.64 1.59 2q6fA1 LEU 123 HB3 -0.02 0.01 0.07 -0.04 1.64 1.65 2q6fA1 LEU 123 HG 0.07 -0.10 -0.39 -0.04 1.64 1.18 2q6fA1 LEU 123 HD13 0.08 0.01 -0.09 -0.04 0.93 0.89 2q6fA1 LEU 123 HD23 0.16 0.01 -0.07 -0.04 0.89 0.94 2q6fA1 TYR 124 H -0.36 0.40 0.36 -0.55 8.29 8.15 2q6fA1 TYR 124 HA -0.05 0.11 0.47 -0.75 4.56 4.33 2q6fA1 TYR 124 HB2 -0.10 0.11 0.15 -0.04 3.06 3.17 2q6fA1 TYR 124 HB3 -0.07 0.12 0.09 -0.04 2.98 3.09 2q6fA1 TYR 124 HD2 -0.13 0.14 -0.33 -0.04 7.15 6.80 2q6fA1 TYR 124 HE2 -0.28 0.01 -0.08 -0.04 6.85 6.46 2q6fA1 PRO 125 HA -0.13 0.22 0.88 -0.51 4.44 4.89 2q6fA1 PRO 125 HB2 -0.09 0.01 0.02 -0.04 2.28 2.18 2q6fA1 PRO 125 HB3 -0.06 0.12 -0.06 -0.04 2.02 1.99 2q6fA1 PRO 125 HG2 -0.04 0.00 0.06 -0.04 2.03 2.02 2q6fA1 PRO 125 HG3 -0.02 0.10 0.01 -0.04 2.03 2.08 2q6fA1 PRO 125 HD2 0.07 0.10 0.25 -0.04 3.68 4.06 2q6fA1 PRO 125 HD3 0.02 0.13 0.11 -0.04 3.65 3.88 2q6fA1 VAL 126 H -0.33 0.59 0.46 -0.55 8.24 8.41 2q6fA1 VAL 126 HA -0.20 0.19 0.68 -0.75 4.13 4.05 2q6fA1 VAL 126 HB -0.35 -0.09 -0.01 -0.04 2.12 1.63 2q6fA1 VAL 126 HG13 -0.04 0.05 -0.29 -0.04 0.97 0.64 2q6fA1 VAL 126 HG23 -0.93 -0.00 -0.26 -0.04 0.95 -0.28 2q6fA1 THR 127 H -0.27 0.22 0.18 -0.55 8.28 7.86 2q6fA1 THR 127 HA -0.33 0.30 0.96 -0.75 4.39 4.56 2q6fA1 THR 127 HB -0.14 -0.06 0.01 -0.04 4.32 4.08 2q6fA1 THR 127 HG23 -0.09 0.06 -0.29 -0.04 1.22 0.85 2q6fA1 MET 128 H -0.17 0.61 0.15 -0.55 8.47 8.52 2q6fA1 MET 128 HA -0.12 0.11 0.48 -0.75 4.52 4.24 2q6fA1 MET 128 HB2 0.01 -0.03 -0.04 -0.04 2.15 2.05 2q6fA1 MET 128 HB3 -0.02 0.03 0.02 -0.04 2.03 2.01 2q6fA1 MET 128 HG2 -0.03 0.08 -0.32 -0.04 2.63 2.31 2q6fA1 MET 128 HG3 0.01 0.04 -0.34 -0.04 2.56 2.24 2q6fA1 MET 128 HE3 -0.49 -0.02 -0.18 -0.04 2.10 1.37 2q6fA1 ARG 129 H -0.03 0.71 0.39 -0.55 8.46 8.97 2q6fA1 ARG 129 HA -0.02 0.09 0.58 -0.75 4.34 4.24 2q6fA1 ARG 129 HB2 0.02 -0.15 0.06 -0.04 1.90 1.79 2q6fA1 ARG 129 HB3 -0.01 -0.06 0.13 -0.04 1.80 1.82 2q6fA1 ARG 129 HG2 -0.04 0.27 0.12 -0.04 1.67 1.97 2q6fA1 ARG 129 HG3 -0.03 -0.01 -0.09 -0.04 1.67 1.51 2q6fA1 ARG 129 HD2 -0.07 -0.02 -0.21 -0.04 3.22 2.89 2q6fA1 ARG 129 HD3 -0.08 -0.03 0.01 -0.04 3.22 3.08 2q6fA1 SER 130 H 0.00 0.21 0.19 -0.55 8.46 8.32 2q6fA1 SER 130 HA 0.04 0.05 0.43 -0.75 4.49 4.25 2q6fA1 SER 130 HB2 0.02 0.07 0.11 -0.04 3.95 4.11 2q6fA1 SER 130 HB3 0.01 0.04 0.17 -0.04 3.93 4.11 2q6fA1 ASN 131 H 0.05 -0.02 -0.35 -0.55 8.53 7.66 2q6fA1 ASN 131 HA 0.07 0.23 0.70 -0.75 4.76 5.01 2q6fA1 ASN 131 HB2 0.16 0.05 0.08 -0.04 2.88 3.13 2q6fA1 ASN 131 HB3 0.06 0.15 -0.20 -0.04 2.79 2.76 2q6fA1 ASN 131 HD21 0.02 -0.08 -0.11 -0.04 7.03 6.83 2q6fA1 ASN 131 HD22 0.04 0.55 -0.18 -0.04 7.74 8.11 2q6fA1 GLY 132 H 0.12 0.45 -0.36 -0.55 8.43 8.08 2q6fA1 GLY 132 HA2 0.22 -0.00 0.25 -0.51 4.01 3.97 2q6fA1 GLY 132 HA3 0.31 0.04 0.40 -0.51 4.01 4.25 2q6fA1 THR 133 H 0.12 -0.03 -0.13 -0.55 8.28 7.69 2q6fA1 THR 133 HA 0.17 0.30 1.00 -0.75 4.39 5.12 2q6fA1 THR 133 HB 0.04 0.05 0.11 -0.04 4.32 4.47 2q6fA1 THR 133 HG23 0.00 0.03 -0.30 -0.04 1.22 0.91 2q6fA1 ILE 134 H 0.10 0.71 0.38 -0.55 8.25 8.90 2q6fA1 ILE 134 HA -0.07 0.22 0.83 -0.75 4.18 4.40 2q6fA1 ILE 134 HB -0.18 -0.00 -0.11 -0.04 1.89 1.56 2q6fA1 ILE 134 HG12 0.12 -0.07 -0.21 -0.04 1.49 1.29 2q6fA1 ILE 134 HG13 -0.18 -0.01 -0.26 -0.04 1.21 0.72 2q6fA1 ILE 134 HG23 -0.24 0.02 -0.37 -0.04 0.93 0.31 2q6fA1 ILE 134 HD13 0.14 0.08 -0.24 -0.04 0.88 0.82 2q6fA1 ARG 135 H -0.08 0.17 0.14 -0.55 8.46 8.14 2q6fA1 ARG 135 HA 0.04 0.22 0.93 -0.75 4.34 4.77 2q6fA1 ARG 135 HB2 -0.08 -0.07 0.26 -0.04 1.90 1.96 2q6fA1 ARG 135 HB3 -0.06 0.11 0.14 -0.04 1.80 1.94 2q6fA1 ARG 135 HG2 -0.05 0.16 0.05 -0.04 1.67 1.80 2q6fA1 ARG 135 HG3 -0.04 -0.12 -0.12 -0.04 1.67 1.35 2q6fA1 ARG 135 HD2 -0.07 -0.07 0.03 -0.04 3.22 3.07 2q6fA1 ARG 135 HD3 -0.07 0.04 0.03 -0.04 3.22 3.18 2q6fA1 ALA 136 H 0.36 0.18 -0.01 -0.55 8.40 8.39 2q6fA1 ALA 136 HA -0.27 0.28 0.84 -0.75 4.34 4.44 2q6fA1 ALA 136 HB3 -0.44 -0.05 -0.12 -0.04 1.41 0.76 2q6fA1 SER 137 H -0.82 0.16 -0.08 -0.55 8.46 7.17 2q6fA1 SER 137 HA -0.23 0.15 0.66 -0.75 4.49 4.31 2q6fA1 SER 137 HB2 -0.46 0.09 -0.15 -0.04 3.95 3.38 2q6fA1 SER 137 HB3 -0.66 -0.03 0.06 -0.04 3.93 3.26 2q6fA1 PHE 138 H -0.11 0.26 0.01 -0.55 8.34 7.94 2q6fA1 PHE 138 HA 0.03 0.20 0.90 -0.75 4.62 5.00 2q6fA1 PHE 138 HB2 -0.27 -0.02 -0.10 -0.04 3.15 2.72 2q6fA1 PHE 138 HB3 -0.04 0.05 -0.12 -0.04 3.06 2.91 2q6fA1 PHE 138 HD2 -0.66 0.04 -0.08 -0.04 7.28 6.53 2q6fA1 PHE 138 HE2 -0.16 -0.02 -0.16 -0.04 7.38 7.01 2q6fA1 PHE 138 HZ 0.02 0.01 -0.23 -0.04 7.32 7.07 2q6fA1 LEU 139 H 0.45 0.20 0.09 -0.55 8.37 8.56 2q6fA1 LEU 139 HA 0.21 0.19 0.82 -0.75 4.35 4.82 2q6fA1 LEU 139 HB2 0.28 0.06 -0.04 -0.04 1.64 1.91 2q6fA1 LEU 139 HB3 0.13 -0.03 0.12 -0.04 1.64 1.82 2q6fA1 LEU 139 HG 0.16 -0.05 -0.28 -0.04 1.64 1.43 2q6fA1 LEU 139 HD13 -0.01 0.01 -0.06 -0.04 0.93 0.83 2q6fA1 LEU 139 HD23 0.08 0.03 -0.04 -0.04 0.89 0.92 2q6fA1 ALA 140 H 0.14 0.14 0.13 -0.55 8.40 8.27 2q6fA1 ALA 140 HA 0.14 -0.00 0.45 -0.75 4.34 4.17 2q6fA1 ALA 140 HB3 0.09 0.03 0.13 -0.04 1.41 1.62 2q6fA1 GLY 141 H 0.13 0.09 0.27 -0.55 8.43 8.37 2q6fA1 GLY 141 HA2 0.12 0.12 0.48 -0.51 4.01 4.23 2q6fA1 GLY 141 HA3 0.27 0.19 0.86 -0.51 4.01 4.81 2q6fA1 ALA 142 H 0.12 0.36 0.05 -0.55 8.40 8.38 2q6fA1 ALA 142 HA -0.40 0.52 0.87 -0.75 4.34 4.58 2q6fA1 ALA 142 HB3 -0.16 -0.04 0.11 -0.04 1.41 1.28 2q6fA1 CYS 143 H 0.01 -0.03 -0.13 -0.55 8.50 7.80 2q6fA1 CYS 143 HA -0.08 0.03 0.33 -0.75 4.58 4.11 2q6fA1 CYS 143 HB2 0.08 -0.03 0.13 -0.04 2.97 3.10 2q6fA1 CYS 143 HB3 -0.07 0.07 0.10 -0.04 2.97 3.03 2q6fA1 GLY 144 H -0.25 0.63 0.37 -0.55 8.43 8.64 2q6fA1 GLY 144 HA2 -0.24 -0.06 0.40 -0.51 4.01 3.60 2q6fA1 GLY 144 HA3 -0.15 0.32 0.76 -0.51 4.01 4.42 2q6fA1 SER 145 H -0.15 0.34 -0.14 -0.55 8.46 7.97 2q6fA1 SER 145 HA -0.00 0.07 0.47 -0.75 4.49 4.27 2q6fA1 SER 145 HB2 -0.23 -0.12 0.13 -0.04 3.95 3.70 2q6fA1 SER 145 HB3 0.15 0.07 -0.02 -0.04 3.93 4.09 2q6fA1 VAL 146 H 0.12 0.17 0.24 -0.55 8.24 8.22 2q6fA1 VAL 146 HA 0.20 0.29 1.07 -0.75 4.13 4.94 2q6fA1 VAL 146 HB 0.25 0.00 0.13 -0.04 2.12 2.47 2q6fA1 VAL 146 HG13 -0.08 0.03 -0.04 -0.04 0.97 0.84 2q6fA1 VAL 146 HG23 0.22 -0.02 -0.02 -0.04 0.95 1.10 2q6fA1 GLY 147 H 0.36 0.51 0.33 -0.55 8.43 9.09 2q6fA1 GLY 147 HA2 0.38 0.42 0.96 -0.51 4.01 5.26 2q6fA1 GLY 147 HA3 0.39 -0.08 0.22 -0.51 4.01 4.03 2q6fA1 PHE 148 H 0.05 0.73 0.43 -0.55 8.34 8.99 2q6fA1 PHE 148 HA 0.25 0.11 0.86 -0.75 4.62 5.09 2q6fA1 PHE 148 HB2 -0.24 0.13 0.16 -0.04 3.15 3.16 2q6fA1 PHE 148 HB3 0.10 -0.02 -0.29 -0.04 3.06 2.81 2q6fA1 PHE 148 HD2 0.05 0.04 -0.23 -0.04 7.28 7.10 2q6fA1 PHE 148 HE2 0.04 0.03 -0.18 -0.04 7.38 7.23 2q6fA1 PHE 148 HZ 0.04 0.07 -0.21 -0.04 7.32 7.18 2q6fA1 ASN 149 H 0.28 0.59 0.44 -0.55 8.53 9.29 2q6fA1 ASN 149 HA -0.04 0.08 0.59 -0.75 4.76 4.63 2q6fA1 ASN 149 HB2 0.09 0.02 0.21 -0.04 2.88 3.16 2q6fA1 ASN 149 HB3 0.24 0.01 -0.08 -0.04 2.79 2.92 2q6fA1 ASN 149 HD21 0.26 -0.03 -0.08 -0.04 7.03 7.13 2q6fA1 ASN 149 HD22 0.15 0.07 0.00 -0.04 7.74 7.93 2q6fA1 ILE 150 H 0.11 0.25 0.17 -0.55 8.25 8.23 2q6fA1 ILE 150 HA 0.06 0.36 1.05 -0.75 4.18 4.90 2q6fA1 ILE 150 HB 0.10 -0.02 0.12 -0.04 1.89 2.05 2q6fA1 ILE 150 HG12 0.07 0.06 -0.11 -0.04 1.49 1.47 2q6fA1 ILE 150 HG13 0.30 -0.11 -0.55 -0.04 1.21 0.81 2q6fA1 ILE 150 HG23 0.04 -0.01 -0.23 -0.04 0.93 0.69 2q6fA1 ILE 150 HD13 0.12 -0.00 -0.09 -0.04 0.88 0.87 2q6fA1 GLU 151 H 0.03 0.61 0.19 -0.55 8.60 8.89 2q6fA1 GLU 151 HA 0.05 0.14 0.91 -0.75 4.29 4.63 2q6fA1 GLU 151 HB2 0.05 0.03 0.05 -0.04 2.09 2.18 2q6fA1 GLU 151 HB3 0.05 0.02 0.01 -0.04 1.99 2.03 2q6fA1 GLU 151 HG2 0.08 0.10 -0.11 -0.04 2.34 2.38 2q6fA1 GLU 151 HG3 0.11 -0.09 -0.38 -0.04 2.34 1.93 2q6fA1 LYS 152 H 0.03 0.18 0.11 -0.55 8.42 8.19 2q6fA1 LYS 152 HA 0.02 0.05 0.34 -0.75 4.32 3.97 2q6fA1 LYS 152 HB2 0.01 0.15 -0.13 -0.04 1.87 1.85 2q6fA1 LYS 152 HB3 0.01 0.04 0.17 -0.04 1.79 1.97 2q6fA1 LYS 152 HG2 0.02 0.04 0.03 -0.04 1.46 1.51 2q6fA1 LYS 152 HG3 0.03 -0.09 -0.07 -0.04 1.46 1.28 2q6fA1 LYS 152 HD2 0.02 0.00 -0.10 -0.04 1.69 1.56 2q6fA1 LYS 152 HD3 0.01 0.04 -0.02 -0.04 1.68 1.66 2q6fA1 LYS 152 HE2 0.02 0.02 -0.01 -0.04 2.99 2.98 2q6fA1 LYS 152 HE3 0.03 -0.03 -0.03 -0.04 2.99 2.92 2q6fA1 GLY 153 H 0.02 0.04 -0.21 -0.55 8.43 7.73 2q6fA1 GLY 153 HA2 0.01 -0.02 0.23 -0.51 4.01 3.72 2q6fA1 GLY 153 HA3 -0.00 0.10 0.36 -0.51 4.01 3.96 2q6fA1 VAL 154 H -0.00 0.27 -0.49 -0.55 8.24 7.47 2q6fA1 VAL 154 HA -0.03 0.29 0.90 -0.75 4.13 4.54 2q6fA1 VAL 154 HB -0.03 0.01 -0.04 -0.04 2.12 2.02 2q6fA1 VAL 154 HG13 -0.07 -0.02 -0.45 -0.04 0.97 0.40 2q6fA1 VAL 154 HG23 -0.04 0.05 -0.19 -0.04 0.95 0.73 2q6fA1 VAL 155 H -0.04 0.82 0.30 -0.55 8.24 8.78 2q6fA1 VAL 155 HA -0.09 0.16 0.96 -0.75 4.13 4.40 2q6fA1 VAL 155 HB -0.22 0.04 0.14 -0.04 2.12 2.04 2q6fA1 VAL 155 HG13 -0.80 -0.01 -0.18 -0.04 0.97 -0.05 2q6fA1 VAL 155 HG23 -0.10 0.00 -0.08 -0.04 0.95 0.73 2q6fA1 ASN 156 H -0.10 0.44 0.29 -0.55 8.53 8.61 2q6fA1 ASN 156 HA -0.21 0.26 0.92 -0.75 4.76 4.97 2q6fA1 ASN 156 HB2 -0.20 -0.09 0.10 -0.04 2.88 2.64 2q6fA1 ASN 156 HB3 -0.77 0.01 -0.08 -0.04 2.79 1.91 2q6fA1 ASN 156 HD21 0.02 0.03 -0.09 -0.04 7.03 6.94 2q6fA1 ASN 156 HD22 0.08 -0.07 -0.11 -0.04 7.74 7.60 2q6fA1 PHE 157 H 0.02 0.66 0.39 -0.55 8.34 8.85 2q6fA1 PHE 157 HA 0.01 0.20 0.98 -0.75 4.62 5.06 2q6fA1 PHE 157 HB2 0.16 -0.05 0.16 -0.04 3.15 3.38 2q6fA1 PHE 157 HB3 -0.12 -0.00 0.03 -0.04 3.06 2.93 2q6fA1 PHE 157 HD2 0.13 0.00 -0.05 -0.04 7.28 7.32 2q6fA1 PHE 157 HE2 -0.22 0.01 -0.09 -0.04 7.38 7.04 2q6fA1 PHE 157 HZ -0.18 0.05 -0.08 -0.04 7.32 7.06 2q6fA1 PHE 158 H 0.14 0.56 0.33 -0.55 8.34 8.82 2q6fA1 PHE 158 HA 0.01 0.47 1.10 -0.75 4.62 5.45 2q6fA1 PHE 158 HB2 -1.04 -0.00 -0.11 -0.04 3.15 1.96 2q6fA1 PHE 158 HB3 -0.38 -0.10 -0.04 -0.04 3.06 2.50 2q6fA1 PHE 158 HD2 -0.12 0.00 -0.34 -0.04 7.28 6.79 2q6fA1 PHE 158 HE2 0.03 -0.02 -0.19 -0.04 7.38 7.16 2q6fA1 PHE 158 HZ 0.04 -0.02 -0.13 -0.04 7.32 7.18 2q6fA1 TYR 159 H 0.17 0.32 0.28 -0.55 8.29 8.52 2q6fA1 TYR 159 HA 0.14 0.40 0.99 -0.75 4.56 5.34 2q6fA1 TYR 159 HB2 -0.05 0.03 -0.42 -0.04 3.06 2.57 2q6fA1 TYR 159 HB3 0.02 -0.11 -0.07 -0.04 2.98 2.78 2q6fA1 TYR 159 HD2 0.22 0.01 -0.35 -0.04 7.15 6.99 2q6fA1 TYR 159 HE2 0.30 -0.04 -0.25 -0.04 6.85 6.82 2q6fA1 MET 160 H -0.50 0.59 0.20 -0.55 8.47 8.21 2q6fA1 MET 160 HA -0.12 0.33 0.63 -0.75 4.52 4.60 2q6fA1 MET 160 HB2 -0.20 0.02 -0.23 -0.04 2.15 1.69 2q6fA1 MET 160 HB3 -0.19 -0.09 -0.08 -0.04 2.03 1.63 2q6fA1 MET 160 HG2 -0.33 -0.06 -0.25 -0.04 2.63 1.95 2q6fA1 MET 160 HG3 -0.20 0.13 -0.11 -0.04 2.56 2.34 2q6fA1 MET 160 HE3 -0.16 0.08 -0.13 -0.04 2.10 1.85 2q6fA1 HIS 161 H -0.09 0.69 0.08 -0.55 8.41 8.54 2q6fA1 HIS 161 HA -0.33 0.05 0.50 -0.75 4.63 4.09 2q6fA1 HIS 161 HB2 -0.14 0.05 -0.03 -0.04 3.26 3.11 2q6fA1 HIS 161 HB3 -0.46 -0.03 0.14 -0.04 3.20 2.81 2q6fA1 HIS 161 HD2 -0.50 -0.02 -0.42 -0.04 6.97 5.98 2q6fA1 HIS 161 HE1 0.48 0.16 0.00 -0.04 7.75 8.34 2q6fA1 HIS 162 H -0.33 0.40 0.44 -0.55 8.41 8.37 2q6fA1 HIS 162 HA -0.13 0.16 1.13 -0.75 4.63 5.04 2q6fA1 HIS 162 HB2 0.02 0.05 0.16 -0.04 3.26 3.45 2q6fA1 HIS 162 HB3 0.21 -0.01 -0.02 -0.04 3.20 3.33 2q6fA1 HIS 162 HD2 -0.04 -0.04 0.06 -0.04 6.97 6.90 2q6fA1 HIS 162 HE1 -0.41 0.02 -0.14 -0.04 7.75 7.17 2q6fA1 LEU 163 H -0.12 0.52 0.38 -0.55 8.37 8.60 2q6fA1 LEU 163 HA 0.03 0.12 0.64 -0.75 4.35 4.38 2q6fA1 LEU 163 HB2 0.06 0.05 0.06 -0.04 1.64 1.77 2q6fA1 LEU 163 HB3 0.12 0.05 -0.32 -0.04 1.64 1.46 2q6fA1 LEU 163 HG 0.21 -0.08 -0.12 -0.04 1.64 1.61 2q6fA1 LEU 163 HD13 -0.00 0.02 -0.48 -0.04 0.93 0.42 2q6fA1 LEU 163 HD23 0.06 -0.02 -0.15 -0.04 0.89 0.74 2q6fA1 GLU 164 H 0.12 0.20 0.16 -0.55 8.60 8.53 2q6fA1 GLU 164 HA 0.13 0.26 1.08 -0.75 4.29 5.01 2q6fA1 GLU 164 HB2 0.30 -0.07 -0.03 -0.04 2.09 2.25 2q6fA1 GLU 164 HB3 0.10 -0.04 0.09 -0.04 1.99 2.11 2q6fA1 GLU 164 HG2 -0.05 0.14 -0.12 -0.04 2.34 2.27 2q6fA1 GLU 164 HG3 -0.23 0.05 -0.02 -0.04 2.34 2.09 2q6fA1 LEU 165 H -0.09 0.75 0.28 -0.55 8.37 8.77 2q6fA1 LEU 165 HA -0.05 0.16 0.80 -0.75 4.35 4.51 2q6fA1 LEU 165 HB2 -0.13 -0.04 -0.03 -0.04 1.64 1.40 2q6fA1 LEU 165 HB3 -0.10 0.07 0.06 -0.04 1.64 1.64 2q6fA1 LEU 165 HG -0.15 -0.10 -0.31 -0.04 1.64 1.04 2q6fA1 LEU 165 HD13 -0.66 -0.00 -0.18 -0.04 0.93 0.05 2q6fA1 LEU 165 HD23 -0.11 0.02 -0.02 -0.04 0.89 0.75 2q6fA1 PRO 166 HA -0.03 -0.02 0.43 -0.51 4.44 4.31 2q6fA1 PRO 166 HB2 -0.02 0.05 0.03 -0.04 2.28 2.31 2q6fA1 PRO 166 HB3 -0.02 0.00 0.11 -0.04 2.02 2.08 2q6fA1 PRO 166 HG2 -0.01 0.04 0.10 -0.04 2.03 2.12 2q6fA1 PRO 166 HG3 -0.01 0.04 0.09 -0.04 2.03 2.11 2q6fA1 PRO 166 HD2 -0.03 0.15 0.21 -0.04 3.68 3.97 2q6fA1 PRO 166 HD3 -0.03 0.17 0.24 -0.04 3.65 3.99 2q6fA1 ASN 167 H -0.03 0.09 0.19 -0.55 8.53 8.23 2q6fA1 ASN 167 HA -0.04 0.01 0.34 -0.75 4.76 4.31 2q6fA1 ASN 167 HB2 -0.04 0.26 0.15 -0.04 2.88 3.21 2q6fA1 ASN 167 HB3 -0.04 -0.00 0.18 -0.04 2.79 2.89 2q6fA1 ASN 167 HD21 -0.02 -0.01 -0.09 -0.04 7.03 6.87 2q6fA1 ASN 167 HD22 -0.02 0.10 -0.17 -0.04 7.74 7.61 2q6fA1 ALA 168 H -0.06 0.02 -0.01 -0.55 8.40 7.80 2q6fA1 ALA 168 HA -0.14 0.01 0.29 -0.75 4.34 3.75 2q6fA1 ALA 168 HB3 -0.04 0.03 0.04 -0.04 1.41 1.40 2q6fA1 LEU 169 H -0.18 0.42 -0.23 -0.55 8.37 7.84 2q6fA1 LEU 169 HA -0.13 0.17 0.95 -0.75 4.35 4.59 2q6fA1 LEU 169 HB2 -0.10 -0.00 -0.06 -0.04 1.64 1.43 2q6fA1 LEU 169 HB3 -0.07 -0.06 -0.03 -0.04 1.64 1.44 2q6fA1 LEU 169 HG -0.07 0.17 -0.20 -0.04 1.64 1.50 2q6fA1 LEU 169 HD13 -0.03 -0.03 -0.08 -0.04 0.93 0.75 2q6fA1 LEU 169 HD23 -0.05 0.00 -0.11 -0.04 0.89 0.70 2q6fA1 HIS 170 H 0.08 0.55 0.38 -0.55 8.41 8.88 2q6fA1 HIS 170 HA 0.26 0.30 1.20 -0.75 4.63 5.63 2q6fA1 HIS 170 HB2 0.23 -0.02 0.03 -0.04 3.26 3.46 2q6fA1 HIS 170 HB3 0.58 -0.01 0.02 -0.04 3.20 3.74 2q6fA1 HIS 170 HD2 0.42 0.02 -0.17 -0.04 6.97 7.19 2q6fA1 HIS 170 HE1 -0.04 0.24 -0.26 -0.04 7.75 7.65 2q6fA1 THR 171 H 0.44 0.64 0.40 -0.55 8.28 9.21 2q6fA1 THR 171 HA 0.53 0.09 0.60 -0.75 4.39 4.85 2q6fA1 THR 171 HB 0.09 0.06 -0.15 -0.04 4.32 4.27 2q6fA1 THR 171 HG23 0.10 -0.01 -0.18 -0.04 1.22 1.08 2q6fA1 GLY 172 H 0.47 0.35 0.24 -0.55 8.43 8.94 2q6fA1 GLY 172 HA2 -0.31 0.01 0.50 -0.51 4.01 3.70 2q6fA1 GLY 172 HA3 -0.32 0.25 0.57 -0.51 4.01 4.01 2q6fA1 THR 173 H -0.52 0.42 0.24 -0.55 8.28 7.87 2q6fA1 THR 173 HA -0.41 0.21 1.04 -0.75 4.39 4.48 2q6fA1 THR 173 HB -0.41 -0.13 -0.24 -0.04 4.32 3.50 2q6fA1 THR 173 HG23 -1.33 -0.03 -0.39 -0.04 1.22 -0.57 2q6fA1 ASP 174 H -0.34 0.35 0.24 -0.55 8.40 8.10 2q6fA1 ASP 174 HA 0.06 0.47 0.68 -0.75 4.63 5.08 2q6fA1 ASP 174 HB2 -0.05 0.08 0.10 -0.04 2.71 2.79 2q6fA1 ASP 174 HB3 -0.26 0.06 0.16 -0.04 2.70 2.62 2q6fA1 LEU 175 H -0.28 0.28 -0.07 -0.55 8.37 7.75 2q6fA1 LEU 175 HA -0.47 0.17 0.35 -0.75 4.35 3.65 2q6fA1 LEU 175 HB2 -1.28 0.00 0.03 -0.04 1.64 0.35 2q6fA1 LEU 175 HB3 -2.45 0.04 0.05 -0.04 1.64 -0.75 2q6fA1 LEU 175 HG -0.93 0.01 -0.07 -0.04 1.64 0.61 2q6fA1 LEU 175 HD13 -0.69 0.02 -0.10 -0.04 0.93 0.13 2q6fA1 LEU 175 HD23 -0.23 0.02 -0.42 -0.04 0.89 0.21 2q6fA1 MET 176 H -0.21 -0.03 -0.68 -0.55 8.47 7.00 2q6fA1 MET 176 HA -0.03 0.24 0.63 -0.75 4.52 4.60 2q6fA1 MET 176 HB2 -0.08 -0.09 -0.06 -0.04 2.15 1.88 2q6fA1 MET 176 HB3 -0.02 0.05 0.05 -0.04 2.03 2.07 2q6fA1 MET 176 HG2 0.01 -0.09 -0.17 -0.04 2.63 2.33 2q6fA1 MET 176 HG3 0.03 0.03 -0.07 -0.04 2.56 2.51 2q6fA1 MET 176 HE3 0.06 0.00 -0.02 -0.04 2.10 2.11 2q6fA1 GLY 177 H -0.20 0.40 -0.30 -0.55 8.43 7.77 2q6fA1 GLY 177 HA2 -0.19 0.02 0.21 -0.51 4.01 3.53 2q6fA1 GLY 177 HA3 -0.12 0.51 0.58 -0.51 4.01 4.47 2q6fA1 GLU 178 H -0.18 -0.01 -0.24 -0.55 8.60 7.62 2q6fA1 GLU 178 HA -0.09 0.12 0.73 -0.75 4.29 4.30 2q6fA1 GLU 178 HB2 -0.10 0.03 -0.05 -0.04 2.09 1.92 2q6fA1 GLU 178 HB3 -0.19 -0.07 0.05 -0.04 1.99 1.74 2q6fA1 GLU 178 HG2 -0.09 0.14 -0.08 -0.04 2.34 2.28 2q6fA1 GLU 178 HG3 -0.05 0.01 0.04 -0.04 2.34 2.30 2q6fA1 PHE 179 H 0.07 0.15 0.18 -0.55 8.34 8.19 2q6fA1 PHE 179 HA -0.14 0.11 0.51 -0.75 4.62 4.34 2q6fA1 PHE 179 HB2 -0.07 -0.03 0.16 -0.04 3.15 3.16 2q6fA1 PHE 179 HB3 0.01 0.00 -0.05 -0.04 3.06 2.99 2q6fA1 PHE 179 HD2 -0.01 0.06 0.01 -0.04 7.28 7.30 2q6fA1 PHE 179 HE2 -0.10 -0.04 -0.16 -0.04 7.38 7.04 2q6fA1 PHE 179 HZ -0.08 -0.01 -0.21 -0.04 7.32 6.99 2q6fA1 TYR 180 H 0.32 0.60 0.45 -0.55 8.29 9.11 2q6fA1 TYR 180 HA 0.14 0.04 0.65 -0.75 4.56 4.64 2q6fA1 TYR 180 HB2 0.31 0.03 0.24 -0.04 3.06 3.60 2q6fA1 TYR 180 HB3 0.24 -0.01 0.13 -0.04 2.98 3.30 2q6fA1 TYR 180 HD2 0.19 0.02 -0.07 -0.04 7.15 7.25 2q6fA1 TYR 180 HE2 0.16 0.18 -0.05 -0.04 6.85 7.11 2q6fA1 GLY 181 H 0.22 0.11 0.16 -0.55 8.43 8.37 2q6fA1 GLY 181 HA2 -0.01 0.02 0.25 -0.51 4.01 3.76 2q6fA1 GLY 181 HA3 0.02 0.24 0.39 -0.51 4.01 4.14 2q6fA1 GLY 182 H 0.01 0.13 -0.82 -0.55 8.43 7.21 2q6fA1 GLY 182 HA2 -0.05 -0.02 0.23 -0.51 4.01 3.65 2q6fA1 GLY 182 HA3 -0.16 0.04 0.40 -0.51 4.01 3.77 2q6fA1 TYR 183 H -0.04 0.26 -0.22 -0.55 8.29 7.74 2q6fA1 TYR 183 HA -0.14 0.14 0.55 -0.75 4.56 4.35 2q6fA1 TYR 183 HB2 -0.17 -0.06 -0.04 -0.04 3.06 2.76 2q6fA1 TYR 183 HB3 -0.20 -0.03 0.06 -0.04 2.98 2.77 2q6fA1 TYR 183 HD2 0.09 0.06 -0.01 -0.04 7.15 7.25 2q6fA1 TYR 183 HE2 0.07 0.10 -0.13 -0.04 6.85 6.86 2q6fA1 VAL 184 H -0.19 0.24 0.17 -0.55 8.24 7.92 2q6fA1 VAL 184 HA -0.75 0.18 0.91 -0.75 4.13 3.71 2q6fA1 VAL 184 HB -0.03 -0.06 0.01 -0.04 2.12 1.99 2q6fA1 VAL 184 HG13 -0.08 0.03 -0.18 -0.04 0.97 0.69 2q6fA1 VAL 184 HG23 -0.03 -0.01 -0.03 -0.04 0.95 0.85 2q6fA1 ASP 185 H -0.05 0.14 0.06 -0.55 8.40 8.00 2q6fA1 ASP 185 HA 0.15 0.16 0.53 -0.75 4.63 4.72 2q6fA1 ASP 185 HB2 0.37 0.03 0.16 -0.04 2.71 3.23 2q6fA1 ASP 185 HB3 0.54 -0.01 0.08 -0.04 2.70 3.26 2q6fA1 GLU 186 H 0.04 0.63 -0.08 -0.55 8.60 8.64 2q6fA1 GLU 186 HA 0.14 0.17 0.77 -0.75 4.29 4.62 2q6fA1 GLU 186 HB2 0.06 -0.01 -0.07 -0.04 2.09 2.03 2q6fA1 GLU 186 HB3 0.07 0.02 -0.07 -0.04 1.99 1.97 2q6fA1 GLU 186 HG2 0.24 0.37 0.01 -0.04 2.34 2.93 2q6fA1 GLU 186 HG3 0.21 -0.20 -0.61 -0.04 2.34 1.70 2q6fA1 GLU 187 H 0.03 0.17 0.05 -0.55 8.60 8.30 2q6fA1 GLU 187 HA 0.01 0.18 0.66 -0.75 4.29 4.39 2q6fA1 GLU 187 HB2 -0.00 -0.01 0.22 -0.04 2.09 2.26 2q6fA1 GLU 187 HB3 -0.00 0.02 0.15 -0.04 1.99 2.12 2q6fA1 GLU 187 HG2 -0.00 0.04 -0.03 -0.04 2.34 2.31 2q6fA1 GLU 187 HG3 -0.00 -0.03 0.03 -0.04 2.34 2.30 2q6fA1 VAL 188 H 0.02 0.57 0.00 -0.55 8.24 8.28 2q6fA1 VAL 188 HA 0.01 0.14 0.76 -0.75 4.13 4.28 2q6fA1 VAL 188 HB 0.01 -0.04 0.09 -0.04 2.12 2.15 2q6fA1 VAL 188 HG13 0.02 -0.03 -0.25 -0.04 0.97 0.67 2q6fA1 VAL 188 HG23 0.02 0.05 -0.22 -0.04 0.95 0.77 2q6fA1 ALA 189 H 0.01 0.08 0.13 -0.55 8.40 8.07 2q6fA1 ALA 189 HA 0.01 0.07 0.49 -0.75 4.34 4.16 2q6fA1 ALA 189 HB3 0.01 0.00 0.08 -0.04 1.41 1.46 2q6fA1 GLN 190 H 0.02 0.23 0.21 -0.55 8.47 8.39 2q6fA1 GLN 190 HA 0.05 0.09 0.80 -0.75 4.36 4.55 2q6fA1 GLN 190 HB2 0.07 -0.02 0.06 -0.04 2.15 2.22 2q6fA1 GLN 190 HB3 0.19 0.07 0.02 -0.04 2.02 2.26 2q6fA1 GLN 190 HG2 0.04 0.06 -0.11 -0.04 2.40 2.35 2q6fA1 GLN 190 HG3 0.03 0.20 -0.41 -0.04 2.39 2.17 2q6fA1 GLN 190 HE21 -0.04 0.26 0.22 -0.04 6.97 7.37 2q6fA1 GLN 190 HE22 0.00 0.15 0.13 -0.04 7.69 7.93 2q6fA1 ARG 191 H 0.06 0.13 0.11 -0.55 8.46 8.20 2q6fA1 ARG 191 HA 0.05 0.04 0.52 -0.75 4.34 4.20 2q6fA1 ARG 191 HB2 0.03 -0.02 0.05 -0.04 1.90 1.92 2q6fA1 ARG 191 HB3 0.03 0.00 0.12 -0.04 1.80 1.91 2q6fA1 ARG 191 HG2 0.04 0.05 -0.53 -0.04 1.67 1.18 2q6fA1 ARG 191 HG3 0.03 -0.00 -0.10 -0.04 1.67 1.55 2q6fA1 ARG 191 HD2 0.01 -0.02 -0.05 -0.04 3.22 3.12 2q6fA1 ARG 191 HD3 0.00 -0.01 -0.04 -0.04 3.22 3.13 2q6fA1 VAL 192 H 0.07 0.15 0.13 -0.55 8.24 8.04 2q6fA1 VAL 192 HA 0.26 0.26 0.93 -0.75 4.13 4.82 2q6fA1 VAL 192 HB 0.10 0.04 -0.02 -0.04 2.12 2.20 2q6fA1 VAL 192 HG13 0.05 0.03 -0.16 -0.04 0.97 0.84 2q6fA1 VAL 192 HG23 0.03 -0.01 0.08 -0.04 0.95 1.01 2q6fA1 PRO 193 HA 0.02 0.05 0.41 -0.51 4.44 4.41 2q6fA1 PRO 193 HB2 0.03 -0.01 -0.02 -0.04 2.28 2.24 2q6fA1 PRO 193 HB3 0.01 0.02 0.08 -0.04 2.02 2.09 2q6fA1 PRO 193 HG2 -0.00 0.04 0.06 -0.04 2.03 2.10 2q6fA1 PRO 193 HG3 0.01 -0.00 0.01 -0.04 2.03 2.00 2q6fA1 PRO 193 HD2 0.12 0.14 0.21 -0.04 3.68 4.10 2q6fA1 PRO 193 HD3 0.07 0.27 0.06 -0.04 3.65 4.02 2q6fA1 PRO 194 HA -0.01 0.04 0.45 -0.51 4.44 4.41 2q6fA1 PRO 194 HB2 -0.04 0.07 -0.08 -0.04 2.28 2.19 2q6fA1 PRO 194 HB3 -0.02 0.03 0.10 -0.04 2.02 2.08 2q6fA1 PRO 194 HG2 -0.02 -0.01 0.02 -0.04 2.03 1.98 2q6fA1 PRO 194 HG3 -0.02 0.05 0.04 -0.04 2.03 2.06 2q6fA1 PRO 194 HD2 -0.00 0.05 0.20 -0.04 3.68 3.89 2q6fA1 PRO 194 HD3 -0.00 0.13 0.17 -0.04 3.65 3.91 2q6fA1 ASP 195 H -0.03 0.14 0.14 -0.55 8.40 8.10 2q6fA1 ASP 195 HA -0.02 -0.05 0.55 -0.75 4.63 4.35 2q6fA1 ASP 195 HB2 -0.02 0.07 0.09 -0.04 2.71 2.80 2q6fA1 ASP 195 HB3 -0.05 0.03 0.11 -0.04 2.70 2.76 2q6fA1 ASN 196 H -0.03 0.02 0.13 -0.55 8.53 8.10 2q6fA1 ASN 196 HA -0.15 0.33 0.79 -0.75 4.76 4.98 2q6fA1 ASN 196 HB2 -0.02 -0.14 -0.00 -0.04 2.88 2.68 2q6fA1 ASN 196 HB3 -0.05 -0.01 -0.44 -0.04 2.79 2.24 2q6fA1 ASN 196 HD21 -0.02 0.06 -0.10 -0.04 7.03 6.92 2q6fA1 ASN 196 HD22 -0.00 -0.09 -0.10 -0.04 7.74 7.51 2q6fA1 LEU 197 H -0.35 0.48 0.25 -0.55 8.37 8.20 2q6fA1 LEU 197 HA -0.08 -0.02 0.40 -0.75 4.35 3.89 2q6fA1 LEU 197 HB2 -0.82 0.22 0.23 -0.04 1.64 1.22 2q6fA1 LEU 197 HB3 -0.03 -0.08 -0.09 -0.04 1.64 1.41 2q6fA1 LEU 197 HG 0.07 -0.05 -0.03 -0.04 1.64 1.59 2q6fA1 LEU 197 HD13 -0.08 0.01 0.00 -0.04 0.93 0.82 2q6fA1 LEU 197 HD23 -0.03 0.03 0.04 -0.04 0.89 0.89 2q6fA1 VAL 198 H 0.01 0.16 0.18 -0.55 8.24 8.03 2q6fA1 VAL 198 HA 0.09 0.09 0.73 -0.75 4.13 4.28 2q6fA1 VAL 198 HB 0.02 0.12 0.28 -0.04 2.12 2.51 2q6fA1 VAL 198 HG13 0.04 -0.08 -0.04 -0.04 0.97 0.85 2q6fA1 VAL 198 HG23 -0.00 0.02 0.06 -0.04 0.95 0.99 2q6fA1 THR 199 H 0.22 0.29 0.17 -0.55 8.28 8.41 2q6fA1 THR 199 HA 0.17 0.09 0.27 -0.75 4.39 4.17 2q6fA1 THR 199 HB 0.24 0.02 -0.15 -0.04 4.32 4.40 2q6fA1 THR 199 HG23 0.05 -0.02 -0.18 -0.04 1.22 1.02 2q6fA1 ASN 200 H 0.09 0.19 -0.11 -0.55 8.53 8.16 2q6fA1 ASN 200 HA 0.15 0.03 0.41 -0.75 4.76 4.60 2q6fA1 ASN 200 HB2 0.01 0.05 0.08 -0.04 2.88 2.98 2q6fA1 ASN 200 HB3 0.01 -0.03 0.02 -0.04 2.79 2.75 2q6fA1 ASN 200 HD21 -0.34 0.25 0.17 -0.04 7.03 7.06 2q6fA1 ASN 200 HD22 -0.12 -0.05 0.03 -0.04 7.74 7.56 2q6fA1 ASN 201 H 0.07 0.19 -0.28 -0.55 8.53 7.96 2q6fA1 ASN 201 HA 0.08 0.04 0.56 -0.75 4.76 4.69 2q6fA1 ASN 201 HB2 0.03 0.13 0.12 -0.04 2.88 3.12 2q6fA1 ASN 201 HB3 0.03 -0.10 -0.30 -0.04 2.79 2.38 2q6fA1 ASN 201 HD21 -0.02 0.26 0.07 -0.04 7.03 7.29 2q6fA1 ASN 201 HD22 -0.02 0.49 0.17 -0.04 7.74 8.34 2q6fA1 ILE 202 H 0.09 0.46 -0.02 -0.55 8.25 8.22 2q6fA1 ILE 202 HA 0.22 0.23 0.48 -0.75 4.18 4.35 2q6fA1 ILE 202 HB 0.03 0.04 0.10 -0.04 1.89 2.02 2q6fA1 ILE 202 HG12 0.08 0.03 -0.15 -0.04 1.49 1.41 2q6fA1 ILE 202 HG13 0.07 0.07 -0.05 -0.04 1.21 1.26 2q6fA1 ILE 202 HG23 -0.08 -0.01 -0.14 -0.04 0.93 0.65 2q6fA1 ILE 202 HD13 0.07 -0.03 -0.26 -0.04 0.88 0.62 2q6fA1 VAL 203 H 0.08 0.63 -0.14 -0.55 8.24 8.27 2q6fA1 VAL 203 HA -0.06 0.02 0.35 -0.75 4.13 3.68 2q6fA1 VAL 203 HB 0.16 0.11 0.14 -0.04 2.12 2.49 2q6fA1 VAL 203 HG13 0.11 -0.02 -0.13 -0.04 0.97 0.89 2q6fA1 VAL 203 HG23 -0.04 0.02 -0.04 -0.04 0.95 0.85 2q6fA1 ALA 204 H 0.15 0.43 -0.24 -0.55 8.40 8.19 2q6fA1 ALA 204 HA 0.24 -0.05 0.34 -0.75 4.34 4.12 2q6fA1 ALA 204 HB3 0.13 0.08 -0.05 -0.04 1.41 1.53 2q6fA1 TRP 205 H 0.29 0.57 -0.25 -0.55 7.97 8.03 2q6fA1 TRP 205 HA -0.08 0.01 0.42 -0.75 4.62 4.21 2q6fA1 TRP 205 HB2 0.00 -0.01 0.09 -0.04 3.23 3.27 2q6fA1 TRP 205 HB3 0.01 0.17 0.23 -0.04 3.23 3.60 2q6fA1 TRP 205 HD1 -0.03 -0.01 -0.01 -0.04 7.22 7.13 2q6fA1 TRP 205 HE1 -0.00 0.07 -0.02 -0.04 10.20 10.21 2q6fA1 TRP 205 HE3 0.10 0.11 0.04 -0.04 7.59 7.80 2q6fA1 TRP 205 HZ2 -0.02 0.19 -0.01 -0.04 7.44 7.56 2q6fA1 TRP 205 HZ3 0.38 0.02 -0.06 -0.04 7.13 7.43 2q6fA1 TRP 205 HH2 0.15 0.08 -0.05 -0.04 7.19 7.32 2q6fA1 LEU 206 H 0.07 0.64 -0.03 -0.55 8.37 8.49 2q6fA1 LEU 206 HA -0.55 0.01 0.39 -0.75 4.35 3.45 2q6fA1 LEU 206 HB2 -0.17 0.06 0.13 -0.04 1.64 1.62 2q6fA1 LEU 206 HB3 -0.03 -0.03 0.01 -0.04 1.64 1.55 2q6fA1 LEU 206 HG 0.10 0.17 0.03 -0.04 1.64 1.90 2q6fA1 LEU 206 HD13 -0.04 -0.04 -0.09 -0.04 0.93 0.72 2q6fA1 LEU 206 HD23 -0.57 -0.01 -0.06 -0.04 0.89 0.20 2q6fA1 TYR 207 H -0.01 0.56 -0.23 -0.55 8.29 8.05 2q6fA1 TYR 207 HA 0.00 0.03 0.42 -0.75 4.56 4.26 2q6fA1 TYR 207 HB2 -0.01 0.11 0.12 -0.04 3.06 3.24 2q6fA1 TYR 207 HB3 -0.01 -0.01 -0.06 -0.04 2.98 2.87 2q6fA1 TYR 207 HD2 0.02 -0.01 -0.08 -0.04 7.15 7.04 2q6fA1 TYR 207 HE2 0.01 -0.03 -0.05 -0.04 6.85 6.74 2q6fA1 ALA 208 H -0.13 0.39 -0.29 -0.55 8.40 7.82 2q6fA1 ALA 208 HA -0.58 0.05 0.43 -0.75 4.34 3.48 2q6fA1 ALA 208 HB3 -0.80 0.04 0.10 -0.04 1.41 0.70 2q6fA1 ALA 209 H -0.32 0.50 -0.15 -0.55 8.40 7.88 2q6fA1 ALA 209 HA -0.10 -0.00 0.36 -0.75 4.34 3.84 2q6fA1 ALA 209 HB3 -0.32 0.01 0.08 -0.04 1.41 1.14 2q6fA1 ILE 210 H 0.08 0.43 -0.25 -0.55 8.25 7.97 2q6fA1 ILE 210 HA 0.05 -0.01 0.43 -0.75 4.18 3.89 2q6fA1 ILE 210 HB 0.13 0.09 0.18 -0.04 1.89 2.25 2q6fA1 ILE 210 HG12 -0.12 -0.03 0.00 -0.04 1.49 1.31 2q6fA1 ILE 210 HG13 0.19 0.17 0.07 -0.04 1.21 1.60 2q6fA1 ILE 210 HG23 0.02 -0.00 -0.17 -0.04 0.93 0.74 2q6fA1 ILE 210 HD13 0.01 -0.04 -0.09 -0.04 0.88 0.72 2q6fA1 ILE 211 H 0.09 0.58 -0.06 -0.55 8.25 8.30 2q6fA1 ILE 211 HA 0.09 0.02 0.33 -0.75 4.18 3.87 2q6fA1 ILE 211 HB 0.21 0.04 0.14 -0.04 1.89 2.24 2q6fA1 ILE 211 HG12 0.11 0.19 0.11 -0.04 1.49 1.86 2q6fA1 ILE 211 HG13 0.13 -0.09 -0.03 -0.04 1.21 1.18 2q6fA1 ILE 211 HG23 0.22 -0.00 -0.15 -0.04 0.93 0.96 2q6fA1 ILE 211 HD13 0.07 -0.02 -0.05 -0.04 0.88 0.85 2q6fA1 SER 212 H 0.17 0.51 -0.22 -0.55 8.46 8.38 2q6fA1 SER 212 HA 0.15 0.04 0.39 -0.75 4.49 4.31 2q6fA1 SER 212 HB2 0.14 -0.08 0.09 -0.04 3.95 4.06 2q6fA1 SER 212 HB3 0.32 -0.02 0.10 -0.04 3.93 4.29 2q6fA1 VAL 213 H 0.07 0.35 -0.49 -0.55 8.24 7.62 2q6fA1 VAL 213 HA 0.04 0.15 0.74 -0.75 4.13 4.30 2q6fA1 VAL 213 HB 0.02 0.12 0.44 -0.04 2.12 2.65 2q6fA1 VAL 213 HG13 0.01 -0.03 -0.08 -0.04 0.97 0.82 2q6fA1 VAL 213 HG23 0.07 0.02 -0.02 -0.04 0.95 0.97 2q6fA1 PRO 221 HA -0.30 -0.06 0.26 -0.51 4.44 3.83 2q6fA1 PRO 221 HB2 -1.93 -0.14 -0.03 -0.04 2.28 0.13 2q6fA1 PRO 221 HB3 -0.76 -0.01 0.05 -0.04 2.02 1.26 2q6fA1 PRO 221 HG2 -0.54 -0.01 0.02 -0.04 2.03 1.47 2q6fA1 PRO 221 HG3 -0.23 0.06 0.22 -0.04 2.03 2.05 2q6fA1 PRO 221 HD2 -0.53 -0.02 0.07 -0.04 3.68 3.15 2q6fA1 PRO 221 HD3 -0.26 0.06 0.07 -0.04 3.65 3.48 2q6fA1 LYS 222 H -0.21 0.13 0.11 -0.55 8.42 7.90 2q6fA1 LYS 222 HA -0.17 0.13 0.40 -0.75 4.32 3.93 2q6fA1 LYS 222 HB2 -0.03 0.04 0.05 -0.04 1.87 1.90 2q6fA1 LYS 222 HB3 -0.05 -0.00 0.12 -0.04 1.79 1.81 2q6fA1 LYS 222 HG2 0.10 -0.04 -0.00 -0.04 1.46 1.48 2q6fA1 LYS 222 HG3 0.07 0.06 0.01 -0.04 1.46 1.55 2q6fA1 LYS 222 HD2 0.06 0.03 0.06 -0.04 1.69 1.81 2q6fA1 LYS 222 HD3 -0.02 -0.03 0.12 -0.04 1.68 1.72 2q6fA1 LYS 222 HE2 0.14 0.03 0.07 -0.04 2.99 3.18 2q6fA1 LYS 222 HE3 0.17 -0.16 0.09 -0.04 2.99 3.04 2q6fA1 TRP 223 H -0.49 -0.00 -0.23 -0.55 7.97 6.70 2q6fA1 TRP 223 HA -0.13 0.17 0.45 -0.75 4.62 4.36 2q6fA1 TRP 223 HB2 -0.24 0.02 -0.02 -0.04 3.23 2.94 2q6fA1 TRP 223 HB3 -0.16 0.04 -0.05 -0.04 3.23 3.02 2q6fA1 TRP 223 HD1 -0.09 0.03 -0.02 -0.04 7.22 7.09 2q6fA1 TRP 223 HE1 -0.12 0.01 0.01 -0.04 10.20 10.05 2q6fA1 TRP 223 HE3 -0.19 -0.01 -0.52 -0.04 7.59 6.83 2q6fA1 TRP 223 HZ2 -0.21 0.02 -0.13 -0.04 7.44 7.08 2q6fA1 TRP 223 HZ3 -0.20 -0.07 -0.10 -0.04 7.13 6.73 2q6fA1 TRP 223 HH2 -0.24 0.10 -0.02 -0.04 7.19 7.00 2q6fA1 LEU 224 H -0.93 0.22 -0.47 -0.55 8.37 6.63 2q6fA1 LEU 224 HA -0.20 -0.05 0.40 -0.75 4.35 3.74 2q6fA1 LEU 224 HB2 -1.06 -0.03 0.07 -0.04 1.64 0.57 2q6fA1 LEU 224 HB3 -0.42 0.07 0.05 -0.04 1.64 1.30 2q6fA1 LEU 224 HG -0.55 -0.07 -0.05 -0.04 1.64 0.92 2q6fA1 LEU 224 HD13 -0.25 0.00 -0.06 -0.04 0.93 0.57 2q6fA1 LEU 224 HD23 -0.15 0.03 -0.14 -0.04 0.89 0.59 2q6fA1 GLU 225 H -0.04 0.06 0.22 -0.55 8.60 8.29 2q6fA1 GLU 225 HA -0.08 0.06 0.38 -0.75 4.29 3.89 2q6fA1 GLU 225 HB2 -0.08 0.06 0.10 -0.04 2.09 2.12 2q6fA1 GLU 225 HB3 -0.08 -0.14 0.04 -0.04 1.99 1.77 2q6fA1 GLU 225 HG2 -0.03 0.13 0.10 -0.04 2.34 2.49 2q6fA1 GLU 225 HG3 -0.07 -0.03 -0.25 -0.04 2.34 1.94 2q6fA1 SER 226 H -0.08 0.07 0.18 -0.55 8.46 8.08 2q6fA1 SER 226 HA -0.09 0.20 0.68 -0.75 4.49 4.52 2q6fA1 SER 226 HB2 -0.07 -0.03 0.08 -0.04 3.95 3.89 2q6fA1 SER 226 HB3 -0.08 0.10 0.07 -0.04 3.93 3.98 2q6fA1 THR 227 H -0.07 0.00 -0.02 -0.55 8.28 7.64 2q6fA1 THR 227 HA -0.06 0.17 0.75 -0.75 4.39 4.50 2q6fA1 THR 227 HB -0.07 0.09 -0.10 -0.04 4.32 4.19 2q6fA1 THR 227 HG23 -0.05 -0.01 0.04 -0.04 1.22 1.17 2q6fA1 THR 228 H -0.06 0.14 0.14 -0.55 8.28 7.95 2q6fA1 THR 228 HA -0.09 0.25 0.58 -0.75 4.39 4.37 2q6fA1 THR 228 HB -0.07 -0.10 -0.11 -0.04 4.32 4.00 2q6fA1 THR 228 HG23 -0.06 0.02 -0.16 -0.04 1.22 0.98 2q6fA1 VAL 229 H -0.10 0.46 0.18 -0.55 8.24 8.23 2q6fA1 VAL 229 HA -0.06 0.14 0.73 -0.75 4.13 4.19 2q6fA1 VAL 229 HB -0.11 0.08 -0.10 -0.04 2.12 1.95 2q6fA1 VAL 229 HG13 -0.10 0.06 -0.14 -0.04 0.97 0.76 2q6fA1 VAL 229 HG23 -0.06 0.02 -0.06 -0.04 0.95 0.81 2q6fA1 SER 230 H -0.02 0.18 0.10 -0.55 8.46 8.17 2q6fA1 SER 230 HA -0.03 0.11 0.48 -0.75 4.49 4.29 2q6fA1 SER 230 HB2 0.01 0.02 0.14 -0.04 3.95 4.08 2q6fA1 SER 230 HB3 -0.00 0.15 0.13 -0.04 3.93 4.17 2q6fA1 ILE 231 H -0.01 0.19 0.20 -0.55 8.25 8.08 2q6fA1 ILE 231 HA 0.02 0.10 0.41 -0.75 4.18 3.96 2q6fA1 ILE 231 HB 0.08 0.00 0.10 -0.04 1.89 2.03 2q6fA1 ILE 231 HG12 0.08 0.04 -0.00 -0.04 1.49 1.56 2q6fA1 ILE 231 HG13 -0.24 0.02 0.02 -0.04 1.21 0.97 2q6fA1 ILE 231 HG23 0.26 0.01 -0.08 -0.04 0.93 1.09 2q6fA1 ILE 231 HD13 -0.04 -0.02 0.11 -0.04 0.88 0.88 2q6fA1 GLU 232 H 0.06 0.05 -0.19 -0.55 8.60 7.97 2q6fA1 GLU 232 HA 0.09 0.13 0.37 -0.75 4.29 4.13 2q6fA1 GLU 232 HB2 0.05 0.01 0.08 -0.04 2.09 2.19 2q6fA1 GLU 232 HB3 0.04 -0.04 0.04 -0.04 1.99 1.99 2q6fA1 GLU 232 HG2 0.05 0.02 -0.08 -0.04 2.34 2.29 2q6fA1 GLU 232 HG3 0.05 0.03 0.01 -0.04 2.34 2.40 2q6fA1 ASP 233 H 0.06 0.01 -0.22 -0.55 8.40 7.70 2q6fA1 ASP 233 HA 0.07 0.12 0.45 -0.75 4.63 4.51 2q6fA1 ASP 233 HB2 0.03 -0.06 0.11 -0.04 2.71 2.75 2q6fA1 ASP 233 HB3 0.03 0.08 -0.03 -0.04 2.70 2.74 2q6fA1 TYR 234 H 0.15 0.59 -0.16 -0.55 8.29 8.32 2q6fA1 TYR 234 HA 0.05 0.08 0.34 -0.75 4.56 4.28 2q6fA1 TYR 234 HB2 -0.10 0.01 -0.04 -0.04 3.06 2.89 2q6fA1 TYR 234 HB3 0.00 -0.00 0.10 -0.04 2.98 3.03 2q6fA1 TYR 234 HD2 -0.08 0.02 -0.15 -0.04 7.15 6.89 2q6fA1 TYR 234 HE2 -0.08 0.08 -0.06 -0.04 6.85 6.75 2q6fA1 ASN 235 H 0.25 0.62 -0.13 -0.55 8.53 8.73 2q6fA1 ASN 235 HA 0.17 -0.01 0.44 -0.75 4.76 4.60 2q6fA1 ASN 235 HB2 0.15 0.12 0.19 -0.04 2.88 3.30 2q6fA1 ASN 235 HB3 0.13 0.01 0.03 -0.04 2.79 2.91 2q6fA1 ASN 235 HD21 0.22 0.26 0.11 -0.04 7.03 7.58 2q6fA1 ASN 235 HD22 0.15 -0.02 0.02 -0.04 7.74 7.85 2q6fA1 ARG 236 H 0.10 0.42 -0.28 -0.55 8.46 8.15 2q6fA1 ARG 236 HA 0.05 0.01 0.42 -0.75 4.34 4.06 2q6fA1 ARG 236 HB2 0.07 0.09 0.17 -0.04 1.90 2.18 2q6fA1 ARG 236 HB3 0.09 0.11 0.17 -0.04 1.80 2.13 2q6fA1 ARG 236 HG2 0.05 0.02 -0.07 -0.04 1.67 1.63 2q6fA1 ARG 236 HG3 0.04 -0.02 0.05 -0.04 1.67 1.70 2q6fA1 ARG 236 HD2 0.05 -0.04 -0.02 -0.04 3.22 3.17 2q6fA1 ARG 236 HD3 0.04 -0.00 -0.02 -0.04 3.22 3.20 2q6fA1 TRP 237 H 0.18 0.54 -0.17 -0.55 7.97 7.98 2q6fA1 TRP 237 HA -0.07 0.03 0.39 -0.75 4.62 4.22 2q6fA1 TRP 237 HB2 -0.10 -0.04 0.07 -0.04 3.23 3.12 2q6fA1 TRP 237 HB3 -0.30 0.09 0.22 -0.04 3.23 3.20 2q6fA1 TRP 237 HD1 -0.04 -0.02 -0.03 -0.04 7.22 7.09 2q6fA1 TRP 237 HE1 -0.01 0.04 -0.05 -0.04 10.20 10.14 2q6fA1 TRP 237 HE3 -0.97 0.06 -0.10 -0.04 7.59 6.54 2q6fA1 TRP 237 HZ2 0.03 0.09 -0.03 -0.04 7.44 7.49 2q6fA1 TRP 237 HZ3 -0.91 -0.06 -0.14 -0.04 7.13 5.98 2q6fA1 TRP 237 HH2 -0.41 0.06 -0.14 -0.04 7.19 6.66 2q6fA1 ALA 238 H -0.05 0.88 0.08 -0.55 8.40 8.76 2q6fA1 ALA 238 HA -0.48 -0.02 0.33 -0.75 4.34 3.41 2q6fA1 ALA 238 HB3 -0.09 0.02 -0.05 -0.04 1.41 1.24 2q6fA1 SER 239 H -0.05 0.51 -0.25 -0.55 8.46 8.12 2q6fA1 SER 239 HA -0.04 0.02 0.37 -0.75 4.49 4.08 2q6fA1 SER 239 HB2 -0.02 -0.07 0.12 -0.04 3.95 3.93 2q6fA1 SER 239 HB3 0.00 -0.03 0.13 -0.04 3.93 3.99 2q6fA1 ASP 240 H -0.26 0.45 -0.65 -0.55 8.40 7.40 2q6fA1 ASP 240 HA -0.13 0.15 0.95 -0.75 4.63 4.86 2q6fA1 ASP 240 HB2 -0.12 0.03 0.01 -0.04 2.71 2.59 2q6fA1 ASP 240 HB3 -0.21 0.03 0.04 -0.04 2.70 2.52 2q6fA1 ASN 241 H -0.41 0.41 -0.00 -0.55 8.53 7.99 2q6fA1 ASN 241 HA -0.25 0.21 0.96 -0.75 4.76 4.93 2q6fA1 ASN 241 HB2 -1.57 -0.02 -0.02 -0.04 2.88 1.22 2q6fA1 ASN 241 HB3 -0.47 -0.01 0.14 -0.04 2.79 2.40 2q6fA1 ASN 241 HD21 -0.58 -0.07 -0.13 -0.04 7.03 6.21 2q6fA1 ASN 241 HD22 -1.07 0.39 -0.14 -0.04 7.74 6.88 2q6fA1 GLY 242 H -0.16 0.18 -0.05 -0.55 8.43 7.85 2q6fA1 GLY 242 HA2 -0.13 0.00 0.25 -0.51 4.01 3.62 2q6fA1 GLY 242 HA3 -0.20 0.09 0.47 -0.51 4.01 3.86 2q6fA1 PHE 243 H 0.01 0.48 0.08 -0.55 8.34 8.35 2q6fA1 PHE 243 HA 0.02 0.20 0.87 -0.75 4.62 4.96 2q6fA1 PHE 243 HB2 -0.09 -0.06 -0.00 -0.04 3.15 2.95 2q6fA1 PHE 243 HB3 0.19 -0.00 -0.02 -0.04 3.06 3.18 2q6fA1 PHE 243 HD2 -0.12 -0.05 -0.25 -0.04 7.28 6.83 2q6fA1 PHE 243 HE2 0.06 -0.00 -0.08 -0.04 7.38 7.32 2q6fA1 PHE 243 HZ 0.38 0.02 -0.04 -0.04 7.32 7.64 2q6fA1 THR 244 H 0.19 0.39 0.17 -0.55 8.28 8.47 2q6fA1 THR 244 HA 0.09 0.13 0.46 -0.75 4.39 4.32 2q6fA1 THR 244 HB 0.08 0.09 0.13 -0.04 4.32 4.58 2q6fA1 THR 244 HG23 0.05 0.04 -0.05 -0.04 1.22 1.22 2q6fA1 PRO 245 HA 0.26 0.07 0.55 -0.51 4.44 4.80 2q6fA1 PRO 245 HB2 0.09 0.01 -0.06 -0.04 2.28 2.28 2q6fA1 PRO 245 HB3 0.13 0.03 0.10 -0.04 2.02 2.24 2q6fA1 PRO 245 HG2 0.06 0.03 0.07 -0.04 2.03 2.15 2q6fA1 PRO 245 HG3 0.08 0.12 0.06 -0.04 2.03 2.24 2q6fA1 PRO 245 HD2 0.07 0.05 0.19 -0.04 3.68 3.95 2q6fA1 PRO 245 HD3 0.07 0.15 0.22 -0.04 3.65 4.06 2q6fA1 PHE 246 H 0.42 0.11 0.14 -0.55 8.34 8.45 2q6fA1 PHE 246 HA 0.06 0.01 0.54 -0.75 4.62 4.48 2q6fA1 PHE 246 HB2 -0.12 0.04 0.03 -0.04 3.15 3.06 2q6fA1 PHE 246 HB3 0.05 -0.02 0.10 -0.04 3.06 3.15 2q6fA1 PHE 246 HD2 -0.03 -0.01 -0.18 -0.04 7.28 7.02 2q6fA1 PHE 246 HE2 0.00 -0.02 -0.10 -0.04 7.38 7.22 2q6fA1 PHE 246 HZ 0.01 -0.04 -0.09 -0.04 7.32 7.16 2q6fA1 SER 247 H -0.73 0.22 0.16 -0.55 8.46 7.56 2q6fA1 SER 247 HA -0.22 0.12 0.76 -0.75 4.49 4.40 2q6fA1 SER 247 HB2 -0.11 0.02 0.06 -0.04 3.95 3.88 2q6fA1 SER 247 HB3 -0.09 0.07 -0.16 -0.04 3.93 3.71 2q6fA1 THR 248 H -0.15 0.14 0.10 -0.55 8.28 7.81 2q6fA1 THR 248 HA -0.15 0.00 0.41 -0.75 4.39 3.90 2q6fA1 THR 248 HB -0.03 0.04 0.09 -0.04 4.32 4.38 2q6fA1 THR 248 HG23 0.01 -0.00 -0.13 -0.04 1.22 1.05 2q6fA1 SER 249 H -0.03 0.23 0.20 -0.55 8.46 8.32 2q6fA1 SER 249 HA -0.05 0.14 0.57 -0.75 4.49 4.40 2q6fA1 SER 249 HB2 -0.05 0.09 0.15 -0.04 3.95 4.10 2q6fA1 SER 249 HB3 -0.10 0.19 -0.23 -0.04 3.93 3.74 2q6fA1 THR 250 H -0.04 0.25 0.15 -0.55 8.28 8.09 2q6fA1 THR 250 HA -0.06 0.10 0.43 -0.75 4.39 4.10 2q6fA1 THR 250 HB -0.07 -0.02 0.13 -0.04 4.32 4.32 2q6fA1 THR 250 HG23 -0.13 0.04 -0.08 -0.04 1.22 1.01 2q6fA1 ALA 251 H -0.08 0.09 -0.11 -0.55 8.40 7.75 2q6fA1 ALA 251 HA -0.32 0.16 0.37 -0.75 4.34 3.81 2q6fA1 ALA 251 HB3 -0.01 0.05 -0.13 -0.04 1.41 1.27 2q6fA1 ILE 252 H -0.01 0.06 -0.24 -0.55 8.25 7.51 2q6fA1 ILE 252 HA 0.04 0.11 0.43 -0.75 4.18 4.00 2q6fA1 ILE 252 HB 0.09 0.07 0.17 -0.04 1.89 2.17 2q6fA1 ILE 252 HG12 0.21 0.07 0.05 -0.04 1.49 1.77 2q6fA1 ILE 252 HG13 0.08 -0.13 0.06 -0.04 1.21 1.18 2q6fA1 ILE 252 HG23 0.35 0.01 -0.09 -0.04 0.93 1.16 2q6fA1 ILE 252 HD13 0.10 0.02 0.07 -0.04 0.88 1.02 2q6fA1 THR 253 H -0.03 0.40 -0.12 -0.55 8.28 7.99 2q6fA1 THR 253 HA -0.01 0.00 0.43 -0.75 4.39 4.06 2q6fA1 THR 253 HB -0.05 0.12 0.15 -0.04 4.32 4.50 2q6fA1 THR 253 HG23 -0.02 0.01 -0.05 -0.04 1.22 1.12 2q6fA1 LYS 254 H -0.15 0.46 -0.14 -0.55 8.42 8.03 2q6fA1 LYS 254 HA -0.09 0.06 0.51 -0.75 4.32 4.05 2q6fA1 LYS 254 HB2 -0.40 0.09 0.16 -0.04 1.87 1.68 2q6fA1 LYS 254 HB3 -0.16 0.03 0.05 -0.04 1.79 1.67 2q6fA1 LYS 254 HG2 -0.18 -0.03 0.02 -0.04 1.46 1.22 2q6fA1 LYS 254 HG3 -0.30 0.24 0.07 -0.04 1.46 1.42 2q6fA1 LYS 254 HD2 -1.41 -0.01 -0.02 -0.04 1.69 0.21 2q6fA1 LYS 254 HD3 -0.35 0.04 -0.00 -0.04 1.68 1.33 2q6fA1 LYS 254 HE2 -0.18 -0.00 -0.03 -0.04 2.99 2.74 2q6fA1 LYS 254 HE3 -0.32 -0.11 -0.11 -0.04 2.99 2.41 2q6fA1 LEU 255 H -0.16 0.45 -0.10 -0.55 8.37 8.01 2q6fA1 LEU 255 HA -0.12 0.09 0.44 -0.75 4.35 4.01 2q6fA1 LEU 255 HB2 -0.47 0.02 0.19 -0.04 1.64 1.34 2q6fA1 LEU 255 HB3 -0.73 0.00 0.02 -0.04 1.64 0.89 2q6fA1 LEU 255 HG 0.04 0.13 0.07 -0.04 1.64 1.84 2q6fA1 LEU 255 HD13 0.11 -0.03 -0.01 -0.04 0.93 0.96 2q6fA1 LEU 255 HD23 0.11 0.01 -0.10 -0.04 0.89 0.88 2q6fA1 SER 256 H -0.34 0.51 -0.14 -0.55 8.46 7.94 2q6fA1 SER 256 HA -0.24 0.10 0.43 -0.75 4.49 4.03 2q6fA1 SER 256 HB2 0.02 -0.08 0.14 -0.04 3.95 3.99 2q6fA1 SER 256 HB3 -0.06 0.12 0.18 -0.04 3.93 4.13 2q6fA1 ALA 257 H -0.10 0.35 -0.34 -0.55 8.40 7.76 2q6fA1 ALA 257 HA -0.03 -0.00 0.42 -0.75 4.34 3.97 2q6fA1 ALA 257 HB3 -0.03 0.02 0.12 -0.04 1.41 1.48 2q6fA1 ILE 258 H -0.05 0.53 -0.06 -0.55 8.25 8.12 2q6fA1 ILE 258 HA 0.01 0.02 0.43 -0.75 4.18 3.89 2q6fA1 ILE 258 HB -0.01 0.04 0.21 -0.04 1.89 2.08 2q6fA1 ILE 258 HG12 0.08 0.12 0.07 -0.04 1.49 1.73 2q6fA1 ILE 258 HG13 0.12 -0.05 0.01 -0.04 1.21 1.24 2q6fA1 ILE 258 HG23 0.04 0.00 -0.14 -0.04 0.93 0.79 2q6fA1 ILE 258 HD13 0.06 -0.01 0.02 -0.04 0.88 0.91 2q6fA1 THR 259 H -0.05 0.41 -0.13 -0.55 8.28 7.97 2q6fA1 THR 259 HA 0.02 0.17 0.56 -0.75 4.39 4.39 2q6fA1 THR 259 HB 0.08 -0.02 0.02 -0.04 4.32 4.36 2q6fA1 THR 259 HG23 0.10 0.01 0.01 -0.04 1.22 1.30 2q6fA1 GLY 260 H -0.01 0.39 -0.21 -0.55 8.43 8.05 2q6fA1 GLY 260 HA2 -0.00 -0.02 0.29 -0.51 4.01 3.77 2q6fA1 GLY 260 HA3 -0.00 0.07 0.42 -0.51 4.01 3.99 2q6fA1 VAL 261 H 0.08 0.18 -0.18 -0.55 8.24 7.77 2q6fA1 VAL 261 HA 0.01 0.17 0.87 -0.75 4.13 4.42 2q6fA1 VAL 261 HB 0.22 -0.06 -0.02 -0.04 2.12 2.22 2q6fA1 VAL 261 HG13 -0.04 -0.00 -0.22 -0.04 0.97 0.67 2q6fA1 VAL 261 HG23 -0.01 0.07 -0.20 -0.04 0.95 0.77 2q6fA1 ASP 262 H -0.01 0.22 0.08 -0.55 8.40 8.14 2q6fA1 ASP 262 HA 0.02 0.07 0.42 -0.75 4.63 4.38 2q6fA1 ASP 262 HB2 -0.02 0.16 0.09 -0.04 2.71 2.89 2q6fA1 ASP 262 HB3 -0.05 -0.00 0.08 -0.04 2.70 2.68 2q6fA1 VAL 263 H 0.02 0.19 0.20 -0.55 8.24 8.10 2q6fA1 VAL 263 HA -0.08 0.17 0.38 -0.75 4.13 3.84 2q6fA1 VAL 263 HB -0.32 -0.03 -0.00 -0.04 2.12 1.72 2q6fA1 VAL 263 HG13 -0.22 0.01 0.01 -0.04 0.97 0.73 2q6fA1 VAL 263 HG23 0.14 0.03 0.08 -0.04 0.95 1.15 2q6fA1 CYS 264 H -0.14 0.10 -0.28 -0.55 8.50 7.64 2q6fA1 CYS 264 HA -0.26 0.07 0.41 -0.75 4.58 4.05 2q6fA1 CYS 264 HB2 -0.10 0.04 -0.00 -0.04 2.97 2.86 2q6fA1 CYS 264 HB3 -0.11 -0.05 0.07 -0.04 2.97 2.83 2q6fA1 LYS 265 H -0.13 0.52 -0.45 -0.55 8.42 7.80 2q6fA1 LYS 265 HA -0.12 0.29 0.66 -0.75 4.32 4.40 2q6fA1 LYS 265 HB2 -0.10 0.12 0.01 -0.04 1.87 1.86 2q6fA1 LYS 265 HB3 -0.11 0.22 -0.04 -0.04 1.79 1.82 2q6fA1 LYS 265 HG2 -0.08 0.12 -0.45 -0.04 1.46 1.00 2q6fA1 LYS 265 HG3 -0.08 -0.24 -0.13 -0.04 1.46 0.98 2q6fA1 LYS 265 HD2 -0.07 -0.11 -0.00 -0.04 1.69 1.47 2q6fA1 LYS 265 HD3 -0.09 0.21 -0.05 -0.04 1.68 1.71 2q6fA1 LYS 265 HE2 -0.06 0.23 -0.10 -0.04 2.99 3.01 2q6fA1 LYS 265 HE3 -0.05 -0.17 -0.05 -0.04 2.99 2.67 2q6fA1 LEU 266 H -0.20 0.26 -0.11 -0.55 8.37 7.78 2q6fA1 LEU 266 HA -0.10 0.13 0.50 -0.75 4.35 4.12 2q6fA1 LEU 266 HB2 -0.29 0.04 0.13 -0.04 1.64 1.48 2q6fA1 LEU 266 HB3 -0.23 -0.01 0.03 -0.04 1.64 1.39 2q6fA1 LEU 266 HG -0.39 0.00 -0.03 -0.04 1.64 1.18 2q6fA1 LEU 266 HD13 -1.08 -0.02 -0.05 -0.04 0.93 -0.26 2q6fA1 LEU 266 HD23 -0.18 0.01 -0.16 -0.04 0.89 0.51 2q6fA1 LEU 267 H -0.30 0.44 -0.10 -0.55 8.37 7.86 2q6fA1 LEU 267 HA -0.50 0.05 0.35 -0.75 4.35 3.49 2q6fA1 LEU 267 HB2 -0.32 0.11 0.08 -0.04 1.64 1.47 2q6fA1 LEU 267 HB3 -0.55 -0.03 -0.04 -0.04 1.64 0.98 2q6fA1 LEU 267 HG -0.57 0.19 -0.07 -0.04 1.64 1.16 2q6fA1 LEU 267 HD13 -0.59 -0.02 -0.09 -0.04 0.93 0.19 2q6fA1 LEU 267 HD23 -1.00 -0.01 -0.07 -0.04 0.89 -0.24 2q6fA1 ARG 268 H -0.18 0.32 -0.39 -0.55 8.46 7.65 2q6fA1 ARG 268 HA -0.19 -0.01 0.37 -0.75 4.34 3.75 2q6fA1 ARG 268 HB2 -0.13 -0.08 -0.06 -0.04 1.90 1.60 2q6fA1 ARG 268 HB3 -0.12 0.22 0.14 -0.04 1.80 2.00 2q6fA1 ARG 268 HG2 -0.10 0.01 -0.14 -0.04 1.67 1.40 2q6fA1 ARG 268 HG3 -0.11 -0.00 -0.28 -0.04 1.67 1.23 2q6fA1 ARG 268 HD2 -0.11 0.01 -0.07 -0.04 3.22 3.00 2q6fA1 ARG 268 HD3 -0.17 -0.06 -0.00 -0.04 3.22 2.95 2q6fA1 THR 269 H -0.12 0.45 -0.30 -0.55 8.28 7.76 2q6fA1 THR 269 HA -0.05 0.03 0.42 -0.75 4.39 4.03 2q6fA1 THR 269 HB -0.01 0.10 0.19 -0.04 4.32 4.56 2q6fA1 THR 269 HG23 0.15 0.02 -0.08 -0.04 1.22 1.27 2q6fA1 ILE 270 H -0.16 0.41 -0.35 -0.55 8.25 7.60 2q6fA1 ILE 270 HA 0.00 0.04 0.34 -0.75 4.18 3.81 2q6fA1 ILE 270 HB -0.19 0.11 0.11 -0.04 1.89 1.88 2q6fA1 ILE 270 HG12 -0.40 -0.04 -0.08 -0.04 1.49 0.94 2q6fA1 ILE 270 HG13 -0.20 0.27 -0.00 -0.04 1.21 1.24 2q6fA1 ILE 270 HG23 -0.52 -0.02 -0.18 -0.04 0.93 0.17 2q6fA1 ILE 270 HD13 -0.26 -0.06 -0.11 -0.04 0.88 0.40 2q6fA1 MET 271 H -0.34 0.43 -0.12 -0.55 8.47 7.89 2q6fA1 MET 271 HA -0.96 0.03 0.34 -0.75 4.52 3.18 2q6fA1 MET 271 HB2 -0.49 0.09 0.15 -0.04 2.15 1.86 2q6fA1 MET 271 HB3 -0.87 -0.02 -0.03 -0.04 2.03 1.07 2q6fA1 MET 271 HG2 -3.09 -0.01 -0.01 -0.04 2.63 -0.52 2q6fA1 MET 271 HG3 -0.80 0.08 0.05 -0.04 2.56 1.84 2q6fA1 MET 271 HE3 -0.70 0.01 -0.07 -0.04 2.10 1.30 2q6fA1 VAL 272 H -0.17 0.59 -0.11 -0.55 8.24 7.99 2q6fA1 VAL 272 HA -0.05 -0.00 0.41 -0.75 4.13 3.73 2q6fA1 VAL 272 HB -0.07 0.07 0.15 -0.04 2.12 2.23 2q6fA1 VAL 272 HG13 -0.04 0.01 -0.11 -0.04 0.97 0.80 2q6fA1 VAL 272 HG23 -0.10 0.03 0.02 -0.04 0.95 0.86 2q6fA1 LYS 273 H -0.03 0.57 -0.06 -0.55 8.42 8.34 2q6fA1 LYS 273 HA -0.04 0.32 0.24 -0.75 4.32 4.08 2q6fA1 LYS 273 HB2 -0.14 0.10 0.06 -0.04 1.87 1.84 2q6fA1 LYS 273 HB3 -0.77 -0.09 -0.02 -0.04 1.79 0.87 2q6fA1 LYS 273 HG2 -0.36 0.11 0.04 -0.04 1.46 1.20 2q6fA1 LYS 273 HG3 -0.27 0.02 0.06 -0.04 1.46 1.23 2q6fA1 LYS 273 HD2 -0.92 -0.09 -0.06 -0.04 1.69 0.59 2q6fA1 LYS 273 HD3 -2.51 -0.06 -0.03 -0.04 1.68 -0.95 2q6fA1 LYS 273 HE2 -0.57 0.29 0.04 -0.04 2.99 2.70 2q6fA1 LYS 273 HE3 -0.26 -0.05 -0.02 -0.04 2.99 2.62 2q6fA1 SER 274 H 0.23 0.32 -0.60 -0.55 8.46 7.86 2q6fA1 SER 274 HA 0.59 -0.02 0.46 -0.75 4.49 4.76 2q6fA1 SER 274 HB2 0.55 0.03 0.05 -0.04 3.95 4.55 2q6fA1 SER 274 HB3 0.49 0.10 0.12 -0.04 3.93 4.60 2q6fA1 ALA 275 H 0.20 0.38 -0.18 -0.55 8.40 8.26 2q6fA1 ALA 275 HA 0.21 0.02 0.52 -0.75 4.34 4.33 2q6fA1 ALA 275 HB3 0.14 0.01 0.12 -0.04 1.41 1.64 2q6fA1 GLN 276 H 0.13 0.51 -0.09 -0.55 8.47 8.48 2q6fA1 GLN 276 HA 0.16 0.03 0.52 -0.75 4.36 4.31 2q6fA1 GLN 276 HB2 0.09 0.09 -0.15 -0.04 2.15 2.14 2q6fA1 GLN 276 HB3 0.08 -0.01 -0.01 -0.04 2.02 2.04 2q6fA1 GLN 276 HG2 0.08 -0.04 -0.06 -0.04 2.40 2.34 2q6fA1 GLN 276 HG3 0.11 -0.02 -0.32 -0.04 2.39 2.11 2q6fA1 GLN 276 HE21 0.08 -0.03 0.09 -0.04 6.97 7.07 2q6fA1 GLN 276 HE22 0.09 0.12 0.12 -0.04 7.69 7.97 2q6fA1 TRP 277 H 0.32 0.10 0.12 -0.55 7.97 7.96 2q6fA1 TRP 277 HA 0.03 0.07 0.55 -0.75 4.62 4.51 2q6fA1 TRP 277 HB2 -0.02 0.08 0.14 -0.04 3.23 3.39 2q6fA1 TRP 277 HB3 0.06 -0.02 0.15 -0.04 3.23 3.37 2q6fA1 TRP 277 HD1 0.13 0.24 -0.31 -0.04 7.22 7.23 2q6fA1 TRP 277 HE1 -0.27 0.01 0.21 -0.04 10.20 10.10 2q6fA1 TRP 277 HE3 -0.34 0.17 -0.08 -0.04 7.59 7.29 2q6fA1 TRP 277 HZ2 -0.16 -0.03 -0.04 -0.04 7.44 7.16 2q6fA1 TRP 277 HZ3 -2.06 -0.11 -0.21 -0.04 7.13 4.72 2q6fA1 TRP 277 HH2 -0.10 -0.04 -0.43 -0.04 7.19 6.58 2q6fA1 GLY 278 H 0.28 -0.03 0.06 -0.55 8.43 8.20 2q6fA1 GLY 278 HA2 0.16 -0.02 0.27 -0.51 4.01 3.91 2q6fA1 GLY 278 HA3 0.15 0.07 0.32 -0.51 4.01 4.04 2q6fA1 SER 279 H 0.17 0.18 0.16 -0.55 8.46 8.43 2q6fA1 SER 279 HA 0.51 0.48 0.77 -0.75 4.49 5.49 2q6fA1 SER 279 HB2 0.46 0.03 -0.04 -0.04 3.95 4.36 2q6fA1 SER 279 HB3 0.20 -0.07 -0.04 -0.04 3.93 3.98 2q6fA1 ASP 280 H 0.35 0.63 -0.30 -0.55 8.40 8.53 2q6fA1 ASP 280 HA 0.15 0.00 0.26 -0.75 4.63 4.28 2q6fA1 ASP 280 HB2 0.13 0.05 0.15 -0.04 2.71 2.99 2q6fA1 ASP 280 HB3 0.18 -0.01 0.08 -0.04 2.70 2.91 2q6fA1 PRO 281 HA -0.15 0.30 0.73 -0.51 4.44 4.81 2q6fA1 PRO 281 HB2 -0.34 -0.08 -0.23 -0.04 2.28 1.60 2q6fA1 PRO 281 HB3 -1.03 0.05 -0.12 -0.04 2.02 0.88 2q6fA1 PRO 281 HG2 -0.01 -0.04 -0.02 -0.04 2.03 1.91 2q6fA1 PRO 281 HG3 0.02 0.07 -0.03 -0.04 2.03 2.05 2q6fA1 PRO 281 HD2 0.09 0.10 0.18 -0.04 3.68 4.00 2q6fA1 PRO 281 HD3 0.14 0.14 -0.02 -0.04 3.65 3.87 2q6fA1 ILE 282 H 0.09 0.66 0.17 -0.55 8.25 8.62 2q6fA1 ILE 282 HA -0.38 0.14 0.85 -0.75 4.18 4.03 2q6fA1 ILE 282 HB -0.02 0.03 0.08 -0.04 1.89 1.94 2q6fA1 ILE 282 HG12 -2.30 -0.02 -0.12 -0.04 1.49 -0.99 2q6fA1 ILE 282 HG13 -0.57 0.04 -0.36 -0.04 1.21 0.28 2q6fA1 ILE 282 HG23 -1.37 -0.01 -0.12 -0.04 0.93 -0.61 2q6fA1 ILE 282 HD13 -1.00 0.00 -0.11 -0.04 0.88 -0.27 2q6fA1 LEU 283 H -0.08 0.21 0.05 -0.55 8.37 8.01 2q6fA1 LEU 283 HA 0.03 0.07 0.32 -0.75 4.35 4.01 2q6fA1 LEU 283 HB2 -0.20 -0.04 -0.48 -0.04 1.64 0.88 2q6fA1 LEU 283 HB3 0.28 0.02 0.25 -0.04 1.64 2.15 2q6fA1 LEU 283 HG 0.11 0.02 0.04 -0.04 1.64 1.78 2q6fA1 LEU 283 HD13 -0.02 0.01 0.04 -0.04 0.93 0.92 2q6fA1 LEU 283 HD23 -0.22 -0.01 -0.08 -0.04 0.89 0.54 2q6fA1 GLY 284 H 0.00 0.06 -0.33 -0.55 8.43 7.62 2q6fA1 GLY 284 HA2 0.02 -0.01 0.24 -0.51 4.01 3.75 2q6fA1 GLY 284 HA3 0.05 0.12 0.38 -0.51 4.01 4.05 2q6fA1 GLN 285 H 0.03 0.42 -0.41 -0.55 8.47 7.96 2q6fA1 GLN 285 HA -0.03 0.23 1.03 -0.75 4.36 4.83 2q6fA1 GLN 285 HB2 -0.15 -0.16 0.09 -0.04 2.15 1.89 2q6fA1 GLN 285 HB3 -0.03 0.05 -0.02 -0.04 2.02 1.98 2q6fA1 GLN 285 HG2 0.19 0.17 -0.09 -0.04 2.40 2.62 2q6fA1 GLN 285 HG3 0.32 0.08 0.03 -0.04 2.39 2.78 2q6fA1 GLN 285 HE21 -0.34 -0.12 -0.14 -0.04 6.97 6.33 2q6fA1 GLN 285 HE22 -0.30 0.38 -0.05 -0.04 7.69 7.68 2q6fA1 TYR 286 H -0.15 0.17 0.11 -0.55 8.29 7.88 2q6fA1 TYR 286 HA -1.59 0.21 0.87 -0.75 4.56 3.30 2q6fA1 TYR 286 HB2 -0.51 -0.02 0.10 -0.04 3.06 2.59 2q6fA1 TYR 286 HB3 -0.90 0.07 0.19 -0.04 2.98 2.30 2q6fA1 TYR 286 HD2 -0.11 0.11 -0.00 -0.04 7.15 7.10 2q6fA1 TYR 286 HE2 0.03 0.01 -0.13 -0.04 6.85 6.72 2q6fA1 ASN 287 H -0.66 0.22 -0.13 -0.55 8.53 7.41 2q6fA1 ASN 287 HA -0.85 0.18 0.65 -0.75 4.76 3.99 2q6fA1 ASN 287 HB2 -0.23 0.03 0.07 -0.04 2.88 2.71 2q6fA1 ASN 287 HB3 -0.35 0.06 -0.12 -0.04 2.79 2.34 2q6fA1 ASN 287 HD21 -0.18 -0.04 -0.10 -0.04 7.03 6.66 2q6fA1 ASN 287 HD22 -0.17 0.06 -0.10 -0.04 7.74 7.49 2q6fA1 PHE 288 H -0.07 0.16 0.07 -0.55 8.34 7.94 2q6fA1 PHE 288 HA -0.05 0.08 0.46 -0.75 4.62 4.35 2q6fA1 PHE 288 HB2 0.12 -0.03 0.03 -0.04 3.15 3.23 2q6fA1 PHE 288 HB3 0.10 0.02 -0.11 -0.04 3.06 3.03 2q6fA1 PHE 288 HD2 0.50 -0.01 -0.03 -0.04 7.28 7.70 2q6fA1 PHE 288 HE2 0.23 0.05 -0.12 -0.04 7.38 7.50 2q6fA1 PHE 288 HZ 0.06 0.11 -0.10 -0.04 7.32 7.35 2q6fA1 GLU 289 H -1.74 0.18 0.17 -0.55 8.60 6.67 2q6fA1 GLU 289 HA -0.51 0.10 0.65 -0.75 4.29 3.77 2q6fA1 GLU 289 HB2 -1.32 0.13 0.07 -0.04 2.09 0.93 2q6fA1 GLU 289 HB3 -2.70 0.01 0.14 -0.04 1.99 -0.60 2q6fA1 GLU 289 HG2 -0.44 0.09 -0.06 -0.04 2.34 1.90 2q6fA1 GLU 289 HG3 -0.38 -0.16 -0.25 -0.04 2.34 1.51 2q6fA1 ASP 290 H -0.20 0.17 0.11 -0.55 8.40 7.93 2q6fA1 ASP 290 HA -0.04 0.19 0.71 -0.75 4.63 4.73 2q6fA1 ASP 290 HB2 -0.06 0.13 -0.07 -0.04 2.71 2.68 2q6fA1 ASP 290 HB3 -0.07 0.06 -0.04 -0.04 2.70 2.60 2q6fA1 GLU 291 H -0.14 0.09 -0.05 -0.55 8.60 7.96 2q6fA1 GLU 291 HA -0.07 0.28 0.96 -0.75 4.29 4.71 2q6fA1 GLU 291 HB2 -0.10 0.06 0.01 -0.04 2.09 2.01 2q6fA1 GLU 291 HB3 -0.11 0.02 0.03 -0.04 1.99 1.89 2q6fA1 GLU 291 HG2 -0.09 0.05 -0.46 -0.04 2.34 1.79 2q6fA1 GLU 291 HG3 -0.11 -0.03 -0.10 -0.04 2.34 2.06 2q6fA1 LEU 292 H -0.03 0.18 -0.29 -0.55 8.37 7.68 2q6fA1 LEU 292 HA 0.03 0.14 0.70 -0.75 4.35 4.46 2q6fA1 LEU 292 HB2 0.03 -0.07 -0.05 -0.04 1.64 1.51 2q6fA1 LEU 292 HB3 0.13 0.03 -0.05 -0.04 1.64 1.72 2q6fA1 LEU 292 HG 0.10 0.00 -0.19 -0.04 1.64 1.52 2q6fA1 LEU 292 HD13 0.23 0.01 -0.15 -0.04 0.93 0.98 2q6fA1 LEU 292 HD23 0.11 0.03 -0.10 -0.04 0.89 0.89 2q6fA1 THR 293 H 0.03 0.15 0.05 -0.55 8.28 7.97 2q6fA1 THR 293 HA 0.05 0.22 0.56 -0.75 4.39 4.46 2q6fA1 THR 293 HB 0.03 -0.05 0.14 -0.04 4.32 4.40 2q6fA1 THR 293 HG23 -0.01 0.05 0.03 -0.04 1.22 1.25 2q6fA1 PRO 294 HA 0.11 0.16 0.42 -0.51 4.44 4.62 2q6fA1 PRO 294 HB2 0.04 -0.08 0.06 -0.04 2.28 2.27 2q6fA1 PRO 294 HB3 0.07 -0.00 -0.01 -0.04 2.02 2.04 2q6fA1 PRO 294 HG2 0.04 0.01 0.05 -0.04 2.03 2.09 2q6fA1 PRO 294 HG3 0.10 0.25 0.10 -0.04 2.03 2.44 2q6fA1 PRO 294 HD2 0.04 0.07 0.17 -0.04 3.68 3.92 2q6fA1 PRO 294 HD3 0.06 0.22 0.10 -0.04 3.65 3.98 2q6fA1 GLU 295 H 0.07 0.13 -0.13 -0.55 8.60 8.11 2q6fA1 GLU 295 HA 0.13 0.06 0.38 -0.75 4.29 4.11 2q6fA1 GLU 295 HB2 0.07 -0.01 0.07 -0.04 2.09 2.17 2q6fA1 GLU 295 HB3 0.09 0.10 -0.01 -0.04 1.99 2.13 2q6fA1 GLU 295 HG2 0.05 0.09 0.03 -0.04 2.34 2.47 2q6fA1 GLU 295 HG3 0.04 -0.02 0.04 -0.04 2.34 2.36 2q6fA1 SER 296 H 0.09 0.00 -0.25 -0.55 8.46 7.75 2q6fA1 SER 296 HA 0.10 0.08 0.39 -0.75 4.49 4.31 2q6fA1 SER 296 HB2 0.06 -0.04 0.12 -0.04 3.95 4.05 2q6fA1 SER 296 HB3 0.08 -0.01 0.10 -0.04 3.93 4.07 2q6fA1 VAL 297 H 0.13 0.46 -0.23 -0.55 8.24 8.05 2q6fA1 VAL 297 HA 0.26 0.09 0.37 -0.75 4.13 4.10 2q6fA1 VAL 297 HB 0.10 -0.03 0.09 -0.04 2.12 2.24 2q6fA1 VAL 297 HG13 -0.16 0.03 -0.16 -0.04 0.97 0.64 2q6fA1 VAL 297 HG23 0.01 0.03 -0.21 -0.04 0.95 0.74 2q6fA1 PHE 298 H 0.25 0.54 -0.07 -0.55 8.34 8.51 2q6fA1 PHE 298 HA 0.07 0.05 0.32 -0.75 4.62 4.31 2q6fA1 PHE 298 HB2 0.02 -0.04 0.12 -0.04 3.15 3.21 2q6fA1 PHE 298 HB3 0.04 0.02 0.16 -0.04 3.06 3.24 2q6fA1 PHE 298 HD2 0.01 0.01 -0.07 -0.04 7.28 7.19 2q6fA1 PHE 298 HE2 0.01 0.01 -0.04 -0.04 7.38 7.32 2q6fA1 PHE 298 HZ 0.01 0.01 -0.02 -0.04 7.32 7.27 2q6fA1 ASN 299 H 0.17 0.54 -0.20 -0.55 8.53 8.49 2q6fA1 ASN 299 HA -0.13 -0.03 0.39 -0.75 4.76 4.24 2q6fA1 ASN 299 HB2 0.08 0.10 0.14 -0.04 2.88 3.15 2q6fA1 ASN 299 HB3 0.03 -0.03 0.05 -0.04 2.79 2.79 2q6fA1 ASN 299 HD21 0.10 -0.11 -0.04 -0.04 7.03 6.94 2q6fA1 ASN 299 HD22 0.08 -0.01 -0.06 -0.04 7.74 7.71 2q6fA1 GLN 300 H 0.09 0.40 -0.50 -0.55 8.47 7.90 2q6fA1 GLN 300 HA -0.06 0.10 0.74 -0.75 4.36 4.38 2q6fA1 GLN 300 HB2 0.23 0.05 0.13 -0.04 2.15 2.52 2q6fA1 GLN 300 HB3 -0.17 0.12 0.22 -0.04 2.02 2.14 2q6fA1 GLN 300 HG2 0.01 -0.04 0.00 -0.04 2.40 2.33 2q6fA1 GLN 300 HG3 0.09 0.08 0.02 -0.04 2.39 2.53 2q6fA1 GLN 300 HE21 0.19 0.25 0.11 -0.04 6.97 7.48 2q6fA1 GLN 300 HE22 0.17 0.08 -0.12 -0.04 7.69 7.78 2q6fA1 VAL 301 H -0.15 0.42 -0.40 -0.55 8.24 7.56 2q6fA1 VAL 301 HA -0.04 0.22 0.63 -0.75 4.13 4.18 2q6fA1 VAL 301 HB -0.23 0.12 0.13 -0.04 2.12 2.09 2q6fA1 VAL 301 HG13 -0.01 -0.02 0.03 -0.04 0.97 0.93 2q6fA1 VAL 301 HG23 0.20 0.04 -0.09 -0.04 0.95 1.06