============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 5 0.840 23.325 -54.576 -4.942 -99.200 -91.000 TYR 8 0.840 14.761 -56.106 -5.460 -99.200 -91.000 HIS 26 0.900 31.254 -25.588 -7.185 -99.200 -91.000 HIS 27 0.900 34.296 -32.110 -4.984 -99.200 -91.000 PHE 32 1.000 21.406 -27.817 -4.476 -99.200 -91.000 HIS 36 0.900 18.227 -30.608 -2.646 -99.200 -91.000 TRP 42 1.040 16.289 -41.545 3.883 -99.200 -91.000 TRP6 42 1.020 16.053 -43.840 4.417 -99.200 -91.000 HIS 48 0.900 5.029 -48.504 1.066 -99.200 -91.000 HIS 56 0.900 -1.836 -51.241 9.631 -99.200 -91.000 TRP 63 1.040 -0.754 -55.475 16.623 -99.200 -91.000 TRP6 63 1.020 0.886 -56.116 15.045 -99.200 -91.000 TRP 83 1.040 18.191 -31.041 7.374 -99.200 -91.000 TRP6 83 1.020 18.025 -29.777 5.385 -99.200 -91.000 TYR 94 0.840 23.579 -22.792 -2.885 -99.200 -91.000 PHE 97 1.000 26.299 -25.820 -6.383 -99.200 -91.000 PHE 107 1.000 7.690 -22.209 -1.570 -99.200 -91.000 TYR 112 0.840 7.976 -30.516 3.016 -99.200 -91.000 TYR 114 0.840 0.767 -38.356 -0.720 -99.200 -91.000 PHE 117 1.000 -1.576 -30.423 0.259 -99.200 -91.000 PHE 130 1.000 3.760 -29.659 -6.740 -99.200 -91.000 TYR 132 0.840 5.769 -29.247 -13.153 -99.200 -91.000 TYR 150 0.840 -4.957 -34.206 15.551 -99.200 -91.000 PHE 153 1.000 -5.329 -40.321 18.187 -99.200 -91.000 TYR 156 0.840 -8.393 -45.884 17.918 -99.200 -91.000 PHE 160 1.000 -12.101 -48.626 19.685 -99.200 -91.000 HIS 162 0.900 -11.685 -41.892 23.926 -99.200 -91.000 TYR 168 0.840 -13.079 -33.054 14.627 -99.200 -91.000 TRP 173 1.040 -12.903 -35.250 5.140 -99.200 -91.000 TRP6 173 1.020 -12.817 -35.259 7.503 -99.200 -91.000 HIS 177 0.900 -8.055 -29.934 13.680 -99.200 -91.000 PHE 187 1.000 -6.615 -35.292 22.062 -99.200 -91.000 TYR 191 0.840 -1.478 -37.148 27.184 -99.200 -91.000 TYR 197 0.840 -9.714 -43.614 28.817 -99.200 -91.000 TRP 198 1.040 -3.791 -50.242 27.301 -99.200 -91.000 TRP6 198 1.020 -2.937 -51.286 25.360 -99.200 -91.000 TYR 201 0.840 0.443 -42.260 28.102 -99.200 -91.000 PHE 214 1.000 7.196 -32.400 8.574 -99.200 -91.000 TRP 217 1.040 13.606 -32.318 7.078 -99.200 -91.000 TRP6 217 1.020 12.531 -30.675 5.754 -99.200 -91.000 PHE 219 1.000 16.428 -24.696 15.044 -99.200 -91.000 HIS 221 0.900 14.642 -26.396 4.560 -99.200 -91.000 PHE 231 1.000 19.515 -13.438 8.289 -99.200 -91.000 PHE 243 1.000 7.628 -19.792 3.070 -99.200 -91.000 PHE 252 1.000 2.632 -31.267 10.390 -99.200 -91.000 PHE 253 1.000 0.011 -34.680 14.451 -99.200 -91.000 PHE 257 1.000 3.030 -30.728 20.240 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2nw9A1 GLY 20 HA2 0.01 0.06 0.14 -0.51 4.01 3.72 2nw9A1 GLY 20 HA3 0.01 -0.08 0.24 -0.51 4.01 3.68 2nw9A1 ARG 21 H 0.03 0.13 0.09 -0.55 8.46 8.16 2nw9A1 ARG 21 HA 0.05 0.23 0.58 -0.75 4.34 4.44 2nw9A1 ARG 21 HB2 0.05 -0.02 0.03 -0.04 1.90 1.91 2nw9A1 ARG 21 HB3 0.09 0.06 0.12 -0.04 1.80 2.03 2nw9A1 ARG 21 HG2 0.01 -0.08 -0.16 -0.04 1.67 1.39 2nw9A1 ARG 21 HG3 0.01 0.01 -0.02 -0.04 1.67 1.63 2nw9A1 ARG 21 HD2 -0.01 0.10 -0.17 -0.04 3.22 3.09 2nw9A1 ARG 21 HD3 -0.03 -0.04 -0.04 -0.04 3.22 3.08 2nw9A1 LEU 22 H 0.03 0.06 -0.04 -0.55 8.37 7.88 2nw9A1 LEU 22 HA 0.01 0.26 0.80 -0.75 4.35 4.67 2nw9A1 LEU 22 HB2 0.01 -0.01 0.03 -0.04 1.64 1.64 2nw9A1 LEU 22 HB3 -0.00 0.03 0.11 -0.04 1.64 1.73 2nw9A1 LEU 22 HG 0.02 -0.10 -0.06 -0.04 1.64 1.45 2nw9A1 LEU 22 HD13 0.00 0.01 -0.00 -0.04 0.93 0.90 2nw9A1 LEU 22 HD23 -0.01 0.04 -0.05 -0.04 0.89 0.84 2nw9A1 THR 23 H 0.05 0.05 -0.25 -0.55 8.28 7.58 2nw9A1 THR 23 HA 0.06 0.22 0.67 -0.75 4.39 4.58 2nw9A1 THR 23 HB 0.07 -0.05 0.11 -0.04 4.32 4.41 2nw9A1 THR 23 HG23 0.03 0.04 -0.02 -0.04 1.22 1.23 2nw9A1 TYR 24 H 0.18 0.18 0.13 -0.55 8.29 8.23 2nw9A1 TYR 24 HA 0.05 0.16 0.38 -0.75 4.56 4.40 2nw9A1 TYR 24 HB2 0.01 0.07 0.13 -0.04 3.06 3.23 2nw9A1 TYR 24 HB3 0.01 -0.07 0.16 -0.04 2.98 3.03 2nw9A1 TYR 24 HD2 0.01 -0.02 -0.07 -0.04 7.15 7.03 2nw9A1 TYR 24 HE2 0.01 0.02 -0.04 -0.04 6.85 6.80 2nw9A1 GLY 25 H 0.17 0.10 -0.06 -0.55 8.43 8.09 2nw9A1 GLY 25 HA2 -0.05 0.10 0.37 -0.51 4.01 3.92 2nw9A1 GLY 25 HA3 0.06 0.08 0.24 -0.51 4.01 3.88 2nw9A1 GLY 26 H 0.04 -0.01 -0.36 -0.55 8.43 7.55 2nw9A1 GLY 26 HA2 -0.01 0.02 0.52 -0.51 4.01 4.03 2nw9A1 GLY 26 HA3 0.02 0.34 0.33 -0.51 4.01 4.19 2nw9A1 TYR 27 H 0.10 0.54 -0.24 -0.55 8.29 8.14 2nw9A1 TYR 27 HA -0.06 0.07 0.49 -0.75 4.56 4.31 2nw9A1 TYR 27 HB2 -0.05 0.16 0.05 -0.04 3.06 3.19 2nw9A1 TYR 27 HB3 -0.12 0.01 0.09 -0.04 2.98 2.93 2nw9A1 TYR 27 HD2 -0.09 0.04 0.01 -0.04 7.15 7.07 2nw9A1 TYR 27 HE2 -0.05 -0.03 -0.02 -0.04 6.85 6.70 2nw9A1 LEU 28 H -0.12 0.33 -0.24 -0.55 8.37 7.79 2nw9A1 LEU 28 HA -0.36 0.14 0.53 -0.75 4.35 3.92 2nw9A1 LEU 28 HB2 -0.27 -0.04 0.05 -0.04 1.64 1.33 2nw9A1 LEU 28 HB3 -0.22 -0.03 0.10 -0.04 1.64 1.44 2nw9A1 LEU 28 HG -0.17 0.06 0.04 -0.04 1.64 1.53 2nw9A1 LEU 28 HD13 -0.70 -0.03 -0.03 -0.04 0.93 0.14 2nw9A1 LEU 28 HD23 -0.13 0.01 -0.05 -0.04 0.89 0.68 2nw9A1 ARG 29 H -0.13 0.32 -0.70 -0.55 8.46 7.40 2nw9A1 ARG 29 HA -0.08 0.03 0.37 -0.75 4.34 3.91 2nw9A1 ARG 29 HB2 -0.13 0.13 -0.10 -0.04 1.90 1.77 2nw9A1 ARG 29 HB3 -0.08 -0.15 0.21 -0.04 1.80 1.73 2nw9A1 ARG 29 HG2 -0.16 0.16 -0.12 -0.04 1.67 1.51 2nw9A1 ARG 29 HG3 -0.11 -0.05 -0.01 -0.04 1.67 1.47 2nw9A1 ARG 29 HD2 -0.07 0.34 0.17 -0.04 3.22 3.61 2nw9A1 ARG 29 HD3 -0.07 -0.03 0.05 -0.04 3.22 3.13 2nw9A1 LEU 30 H -0.08 0.49 -0.09 -0.55 8.37 8.15 2nw9A1 LEU 30 HA -0.06 0.09 0.38 -0.75 4.35 4.00 2nw9A1 LEU 30 HB2 -0.01 -0.04 0.05 -0.04 1.64 1.59 2nw9A1 LEU 30 HB3 -0.01 0.01 0.01 -0.04 1.64 1.61 2nw9A1 LEU 30 HG -0.13 0.03 -0.02 -0.04 1.64 1.48 2nw9A1 LEU 30 HD13 0.06 -0.02 -0.05 -0.04 0.93 0.88 2nw9A1 LEU 30 HD23 -0.09 0.04 -0.06 -0.04 0.89 0.74 2nw9A1 ASP 31 H -0.03 0.13 -0.25 -0.55 8.40 7.70 2nw9A1 ASP 31 HA -0.01 0.09 0.33 -0.75 4.63 4.28 2nw9A1 ASP 31 HB2 -0.02 -0.02 0.02 -0.04 2.71 2.65 2nw9A1 ASP 31 HB3 -0.02 0.07 -0.06 -0.04 2.70 2.65 2nw9A1 GLN 32 H -0.04 0.18 -0.34 -0.55 8.47 7.72 2nw9A1 GLN 32 HA -0.03 0.12 0.50 -0.75 4.36 4.20 2nw9A1 GLN 32 HB2 -0.04 -0.05 0.04 -0.04 2.15 2.05 2nw9A1 GLN 32 HB3 -0.06 0.17 0.15 -0.04 2.02 2.25 2nw9A1 GLN 32 HG2 -0.05 0.02 -0.22 -0.04 2.40 2.11 2nw9A1 GLN 32 HG3 -0.04 -0.01 -0.00 -0.04 2.39 2.30 2nw9A1 GLN 32 HE21 -0.05 -0.01 -0.02 -0.04 6.97 6.85 2nw9A1 GLN 32 HE22 -0.04 -0.00 -0.03 -0.04 7.69 7.57 2nw9A1 LEU 33 H -0.06 0.49 0.10 -0.55 8.37 8.36 2nw9A1 LEU 33 HA -0.06 0.06 0.42 -0.75 4.35 4.01 2nw9A1 LEU 33 HB2 -0.09 0.13 0.10 -0.04 1.64 1.74 2nw9A1 LEU 33 HB3 -0.07 -0.06 0.11 -0.04 1.64 1.58 2nw9A1 LEU 33 HG -0.07 -0.04 -0.10 -0.04 1.64 1.39 2nw9A1 LEU 33 HD13 -0.11 0.00 0.01 -0.04 0.93 0.80 2nw9A1 LEU 33 HD23 -0.10 0.00 -0.05 -0.04 0.89 0.71 2nw9A1 LEU 34 H -0.04 0.77 -0.07 -0.55 8.37 8.49 2nw9A1 LEU 34 HA -0.03 0.09 0.63 -0.75 4.35 4.29 2nw9A1 LEU 34 HB2 -0.01 0.13 0.05 -0.04 1.64 1.77 2nw9A1 LEU 34 HB3 -0.01 -0.04 0.16 -0.04 1.64 1.71 2nw9A1 LEU 34 HG -0.03 -0.03 0.04 -0.04 1.64 1.58 2nw9A1 LEU 34 HD13 0.01 -0.02 -0.02 -0.04 0.93 0.86 2nw9A1 LEU 34 HD23 -0.03 0.01 -0.09 -0.04 0.89 0.74 2nw9A1 SER 35 H -0.03 0.31 -0.67 -0.55 8.46 7.53 2nw9A1 SER 35 HA -0.01 0.16 0.86 -0.75 4.49 4.74 2nw9A1 SER 35 HB2 -0.01 -0.07 0.17 -0.04 3.95 3.99 2nw9A1 SER 35 HB3 -0.01 0.00 0.03 -0.04 3.93 3.91 2nw9A1 ALA 36 H -0.03 0.26 -0.20 -0.55 8.40 7.88 2nw9A1 ALA 36 HA -0.02 0.16 0.68 -0.75 4.34 4.42 2nw9A1 ALA 36 HB3 -0.03 0.04 0.13 -0.04 1.41 1.51 2nw9A1 GLN 37 H -0.02 0.16 -0.46 -0.55 8.47 7.60 2nw9A1 GLN 37 HA -0.01 0.10 0.77 -0.75 4.36 4.46 2nw9A1 GLN 37 HB2 -0.02 0.05 0.10 -0.04 2.15 2.24 2nw9A1 GLN 37 HB3 -0.02 -0.04 0.00 -0.04 2.02 1.92 2nw9A1 GLN 37 HG2 -0.02 -0.03 -0.03 -0.04 2.40 2.28 2nw9A1 GLN 37 HG3 -0.02 0.01 -0.13 -0.04 2.39 2.21 2nw9A1 GLN 37 HE21 -0.04 0.45 0.10 -0.04 6.97 7.43 2nw9A1 GLN 37 HE22 -0.04 -0.03 -0.13 -0.04 7.69 7.45 2nw9A1 GLN 38 H -0.01 0.21 -0.08 -0.55 8.47 8.05 2nw9A1 GLN 38 HA -0.01 0.22 0.90 -0.75 4.36 4.72 2nw9A1 GLN 38 HB2 -0.00 -0.03 0.07 -0.04 2.15 2.14 2nw9A1 GLN 38 HB3 -0.00 0.05 0.03 -0.04 2.02 2.05 2nw9A1 GLN 38 HG2 -0.01 0.03 -0.11 -0.04 2.40 2.27 2nw9A1 GLN 38 HG3 -0.01 -0.07 -0.67 -0.04 2.39 1.60 2nw9A1 GLN 38 HE21 -0.00 -0.08 -0.00 -0.04 6.97 6.84 2nw9A1 GLN 38 HE22 -0.01 0.25 0.02 -0.04 7.69 7.92 2nw9A1 PRO 39 HA -0.03 -0.00 0.41 -0.51 4.44 4.31 2nw9A1 PRO 39 HB2 -0.04 0.08 -0.02 -0.04 2.28 2.26 2nw9A1 PRO 39 HB3 -0.09 -0.09 0.07 -0.04 2.02 1.87 2nw9A1 PRO 39 HG2 -0.04 0.04 -0.02 -0.04 2.03 1.96 2nw9A1 PRO 39 HG3 -0.05 -0.02 -0.11 -0.04 2.03 1.81 2nw9A1 PRO 39 HD2 -0.02 0.14 0.11 -0.04 3.68 3.87 2nw9A1 PRO 39 HD3 -0.02 0.20 -0.32 -0.04 3.65 3.47 2nw9A1 LEU 40 H -0.03 -0.02 0.20 -0.55 8.37 7.98 2nw9A1 LEU 40 HA -0.00 0.27 0.90 -0.75 4.35 4.77 2nw9A1 LEU 40 HB2 0.00 -0.06 0.07 -0.04 1.64 1.61 2nw9A1 LEU 40 HB3 0.00 0.01 0.08 -0.04 1.64 1.69 2nw9A1 LEU 40 HG 0.01 0.03 -0.08 -0.04 1.64 1.56 2nw9A1 LEU 40 HD13 0.01 0.00 0.01 -0.04 0.93 0.90 2nw9A1 LEU 40 HD23 0.00 0.03 -0.03 -0.04 0.89 0.84 2nw9A1 SER 41 H -0.02 -0.12 0.11 -0.55 8.46 7.87 2nw9A1 SER 41 HA 0.02 0.07 0.42 -0.75 4.49 4.25 2nw9A1 SER 41 HB2 0.09 0.21 0.10 -0.04 3.95 4.32 2nw9A1 SER 41 HB3 0.05 -0.05 0.20 -0.04 3.93 4.09 2nw9A1 GLU 42 H 0.03 0.19 0.11 -0.55 8.60 8.38 2nw9A1 GLU 42 HA 0.01 -0.08 0.53 -0.75 4.29 4.01 2nw9A1 GLU 42 HB2 0.01 0.14 -0.21 -0.04 2.09 1.99 2nw9A1 GLU 42 HB3 0.01 -0.02 0.12 -0.04 1.99 2.06 2nw9A1 GLU 42 HG2 0.00 -0.01 -0.03 -0.04 2.34 2.27 2nw9A1 GLU 42 HG3 0.01 -0.01 -0.14 -0.04 2.34 2.16 2nw9A1 PRO 43 HA 0.01 0.06 0.33 -0.51 4.44 4.33 2nw9A1 PRO 43 HB2 0.01 0.07 0.00 -0.04 2.28 2.32 2nw9A1 PRO 43 HB3 0.01 0.02 0.11 -0.04 2.02 2.11 2nw9A1 PRO 43 HG2 0.02 0.02 -0.06 -0.04 2.03 1.98 2nw9A1 PRO 43 HG3 0.01 0.02 0.06 -0.04 2.03 2.08 2nw9A1 PRO 43 HD2 0.02 0.14 0.37 -0.04 3.68 4.17 2nw9A1 PRO 43 HD3 0.01 0.07 0.23 -0.04 3.65 3.92 2nw9A1 ALA 44 H 0.01 0.08 0.07 -0.55 8.40 8.01 2nw9A1 ALA 44 HA 0.01 0.15 0.29 -0.75 4.34 4.04 2nw9A1 ALA 44 HB3 0.00 0.01 0.03 -0.04 1.41 1.41 2nw9A1 HIS 45 H 0.06 0.09 0.16 -0.55 8.41 8.17 2nw9A1 HIS 45 HA 0.04 0.18 0.72 -0.75 4.63 4.81 2nw9A1 HIS 45 HB2 0.06 0.21 0.05 -0.04 3.26 3.54 2nw9A1 HIS 45 HB3 -0.13 -0.14 0.10 -0.04 3.20 2.99 2nw9A1 HIS 45 HD2 0.13 0.18 0.00 -0.04 6.97 7.24 2nw9A1 HIS 45 HE1 0.22 -0.05 0.05 -0.04 7.75 7.92 2nw9A1 HIS 46 H -0.11 0.24 0.15 -0.55 8.41 8.14 2nw9A1 HIS 46 HA -0.01 0.10 0.32 -0.75 4.63 4.29 2nw9A1 HIS 46 HB2 -0.06 0.07 0.13 -0.04 3.26 3.37 2nw9A1 HIS 46 HB3 -0.05 -0.02 0.13 -0.04 3.20 3.21 2nw9A1 HIS 46 HD2 0.05 -0.00 -0.14 -0.04 6.97 6.84 2nw9A1 HIS 46 HE1 0.01 0.02 0.00 -0.04 7.75 7.74 2nw9A1 ASP 47 H 0.57 0.13 -0.20 -0.55 8.40 8.35 2nw9A1 ASP 47 HA -0.03 0.13 0.57 -0.75 4.63 4.54 2nw9A1 ASP 47 HB2 0.48 0.07 -0.05 -0.04 2.71 3.17 2nw9A1 ASP 47 HB3 0.29 0.02 0.09 -0.04 2.70 3.07 2nw9A1 GLU 48 H -0.21 0.50 -0.40 -0.55 8.60 7.95 2nw9A1 GLU 48 HA -0.97 0.10 0.51 -0.75 4.29 3.17 2nw9A1 GLU 48 HB2 -0.87 -0.01 0.11 -0.04 2.09 1.27 2nw9A1 GLU 48 HB3 -0.28 0.15 0.12 -0.04 1.99 1.94 2nw9A1 GLU 48 HG2 -0.16 0.03 -0.10 -0.04 2.34 2.06 2nw9A1 GLU 48 HG3 -0.36 0.02 0.10 -0.04 2.34 2.06 2nw9A1 MET 49 H -0.16 0.32 -0.14 -0.55 8.47 7.95 2nw9A1 MET 49 HA -0.05 0.07 0.38 -0.75 4.52 4.16 2nw9A1 MET 49 HB2 -0.10 0.05 0.10 -0.04 2.15 2.16 2nw9A1 MET 49 HB3 -0.13 0.05 0.08 -0.04 2.03 1.99 2nw9A1 MET 49 HG2 -0.05 0.04 -0.01 -0.04 2.63 2.57 2nw9A1 MET 49 HG3 -0.04 -0.03 -0.14 -0.04 2.56 2.31 2nw9A1 MET 49 HE3 -0.03 0.03 -0.01 -0.04 2.10 2.05 2nw9A1 LEU 50 H -0.06 0.16 -0.28 -0.55 8.37 7.65 2nw9A1 LEU 50 HA 0.00 0.04 0.35 -0.75 4.35 4.00 2nw9A1 LEU 50 HB2 0.02 0.01 0.05 -0.04 1.64 1.68 2nw9A1 LEU 50 HB3 0.07 0.13 0.10 -0.04 1.64 1.89 2nw9A1 LEU 50 HG 0.12 0.02 -0.39 -0.04 1.64 1.34 2nw9A1 LEU 50 HD13 0.02 -0.02 -0.10 -0.04 0.93 0.79 2nw9A1 LEU 50 HD23 0.11 0.01 -0.07 -0.04 0.89 0.89 2nw9A1 PHE 51 H 0.19 0.34 -0.23 -0.55 8.34 8.08 2nw9A1 PHE 51 HA 0.16 0.02 0.34 -0.75 4.62 4.39 2nw9A1 PHE 51 HB2 0.28 0.05 0.13 -0.04 3.15 3.56 2nw9A1 PHE 51 HB3 0.01 0.12 0.15 -0.04 3.06 3.30 2nw9A1 PHE 51 HD2 0.19 0.02 -0.07 -0.04 7.28 7.37 2nw9A1 PHE 51 HE2 0.10 0.01 -0.05 -0.04 7.38 7.39 2nw9A1 PHE 51 HZ 0.14 -0.01 -0.05 -0.04 7.32 7.36 2nw9A1 ILE 52 H 0.14 0.51 -0.17 -0.55 8.25 8.18 2nw9A1 ILE 52 HA 0.00 0.03 0.43 -0.75 4.18 3.89 2nw9A1 ILE 52 HB 0.01 0.07 0.15 -0.04 1.89 2.08 2nw9A1 ILE 52 HG12 0.08 0.00 -0.01 -0.04 1.49 1.52 2nw9A1 ILE 52 HG13 0.13 0.08 0.05 -0.04 1.21 1.42 2nw9A1 ILE 52 HG23 -0.00 -0.02 -0.11 -0.04 0.93 0.75 2nw9A1 ILE 52 HD13 0.00 -0.03 -0.18 -0.04 0.88 0.63 2nw9A1 ILE 53 H 0.00 0.70 0.02 -0.55 8.25 8.42 2nw9A1 ILE 53 HA -0.03 -0.01 0.39 -0.75 4.18 3.77 2nw9A1 ILE 53 HB -0.02 0.07 0.11 -0.04 1.89 2.01 2nw9A1 ILE 53 HG12 -0.02 0.20 0.12 -0.04 1.49 1.74 2nw9A1 ILE 53 HG13 -0.02 -0.04 -0.02 -0.04 1.21 1.09 2nw9A1 ILE 53 HG23 -0.03 -0.02 -0.08 -0.04 0.93 0.75 2nw9A1 ILE 53 HD13 -0.03 -0.01 -0.02 -0.04 0.88 0.78 2nw9A1 GLN 54 H -0.03 0.75 -0.20 -0.55 8.47 8.45 2nw9A1 GLN 54 HA -0.13 -0.02 0.39 -0.75 4.36 3.85 2nw9A1 GLN 54 HB2 -0.09 0.09 0.08 -0.04 2.15 2.19 2nw9A1 GLN 54 HB3 -0.22 0.13 0.11 -0.04 2.02 2.00 2nw9A1 GLN 54 HG2 -0.29 -0.01 -0.02 -0.04 2.40 2.04 2nw9A1 GLN 54 HG3 -0.49 -0.03 -0.12 -0.04 2.39 1.70 2nw9A1 GLN 54 HE21 -0.27 0.33 -0.08 -0.04 6.97 6.91 2nw9A1 GLN 54 HE22 -0.65 -0.02 -0.12 -0.04 7.69 6.86 2nw9A1 HIS 55 H -0.01 0.45 -0.21 -0.55 8.41 8.10 2nw9A1 HIS 55 HA -0.15 0.03 0.55 -0.75 4.63 4.31 2nw9A1 HIS 55 HB2 -0.17 0.18 0.17 -0.04 3.26 3.39 2nw9A1 HIS 55 HB3 -0.11 -0.09 0.00 -0.04 3.20 2.96 2nw9A1 HIS 55 HD2 -0.09 -0.07 -0.01 -0.04 6.97 6.75 2nw9A1 HIS 55 HE1 -1.26 -0.03 -0.01 -0.04 7.75 6.41 2nw9A1 GLN 56 H -0.01 0.58 0.01 -0.55 8.47 8.51 2nw9A1 GLN 56 HA -0.03 0.01 0.49 -0.75 4.36 4.08 2nw9A1 GLN 56 HB2 -0.05 0.03 0.10 -0.04 2.15 2.19 2nw9A1 GLN 56 HB3 -0.06 -0.02 0.02 -0.04 2.02 1.92 2nw9A1 GLN 56 HG2 -0.02 -0.05 0.01 -0.04 2.40 2.30 2nw9A1 GLN 56 HG3 -0.01 0.26 0.05 -0.04 2.39 2.64 2nw9A1 GLN 56 HE21 -0.02 0.22 -0.19 -0.04 6.97 6.93 2nw9A1 GLN 56 HE22 -0.02 -0.05 0.01 -0.04 7.69 7.59 2nw9A1 THR 57 H -0.08 0.74 -0.06 -0.55 8.28 8.33 2nw9A1 THR 57 HA -0.21 0.02 0.48 -0.75 4.39 3.92 2nw9A1 THR 57 HB -0.05 -0.06 0.03 -0.04 4.32 4.19 2nw9A1 THR 57 HG23 -0.08 0.01 0.04 -0.04 1.22 1.15 2nw9A1 SER 58 H -0.07 0.42 -0.25 -0.55 8.46 8.02 2nw9A1 SER 58 HA 0.16 -0.00 0.36 -0.75 4.49 4.25 2nw9A1 SER 58 HB2 -0.08 0.11 0.21 -0.04 3.95 4.15 2nw9A1 SER 58 HB3 -0.01 -0.09 0.04 -0.04 3.93 3.84 2nw9A1 GLU 59 H -0.03 0.63 -0.15 -0.55 8.60 8.52 2nw9A1 GLU 59 HA 0.01 -0.06 0.43 -0.75 4.29 3.91 2nw9A1 GLU 59 HB2 -0.03 0.15 0.17 -0.04 2.09 2.34 2nw9A1 GLU 59 HB3 -0.02 -0.07 0.02 -0.04 1.99 1.88 2nw9A1 GLU 59 HG2 0.04 0.20 0.08 -0.04 2.34 2.61 2nw9A1 GLU 59 HG3 0.02 -0.00 0.01 -0.04 2.34 2.33 2nw9A1 LEU 60 H -0.14 0.56 -0.21 -0.55 8.37 8.04 2nw9A1 LEU 60 HA -0.15 0.01 0.52 -0.75 4.35 3.98 2nw9A1 LEU 60 HB2 -0.45 0.16 0.22 -0.04 1.64 1.53 2nw9A1 LEU 60 HB3 -0.40 -0.06 0.05 -0.04 1.64 1.18 2nw9A1 LEU 60 HG -0.17 0.23 0.10 -0.04 1.64 1.76 2nw9A1 LEU 60 HD13 -0.24 -0.02 -0.00 -0.04 0.93 0.62 2nw9A1 LEU 60 HD23 -0.16 -0.02 0.02 -0.04 0.89 0.69 2nw9A1 TRP 61 H -0.09 0.59 -0.07 -0.55 7.97 7.86 2nw9A1 TRP 61 HA -0.04 0.00 0.45 -0.75 4.62 4.28 2nw9A1 TRP 61 HB2 -0.07 0.14 0.17 -0.04 3.23 3.43 2nw9A1 TRP 61 HB3 -0.05 -0.04 0.01 -0.04 3.23 3.11 2nw9A1 TRP 61 HD1 -0.07 -0.00 -0.18 -0.04 7.22 6.93 2nw9A1 TRP 61 HE1 -0.04 -0.01 -0.07 -0.04 10.20 10.04 2nw9A1 TRP 61 HE3 -0.02 -0.06 0.07 -0.04 7.59 7.53 2nw9A1 TRP 61 HZ2 -0.01 0.00 -0.02 -0.04 7.44 7.37 2nw9A1 TRP 61 HZ3 -0.01 -0.01 -0.01 -0.04 7.13 7.06 2nw9A1 TRP 61 HH2 -0.00 -0.00 -0.02 -0.04 7.19 7.12 2nw9A1 LEU 62 H 0.10 0.67 -0.11 -0.55 8.37 8.49 2nw9A1 LEU 62 HA 0.05 0.00 0.41 -0.75 4.35 4.05 2nw9A1 LEU 62 HB2 0.03 0.11 0.13 -0.04 1.64 1.86 2nw9A1 LEU 62 HB3 0.03 -0.08 -0.09 -0.04 1.64 1.46 2nw9A1 LEU 62 HG 0.01 0.24 0.02 -0.04 1.64 1.87 2nw9A1 LEU 62 HD13 0.06 -0.04 -0.11 -0.04 0.93 0.79 2nw9A1 LEU 62 HD23 -0.11 -0.01 -0.03 -0.04 0.89 0.70 2nw9A1 LYS 63 H 0.00 0.52 -0.31 -0.55 8.42 8.08 2nw9A1 LYS 63 HA -0.03 -0.02 0.44 -0.75 4.32 3.96 2nw9A1 LYS 63 HB2 -0.06 0.02 0.15 -0.04 1.87 1.94 2nw9A1 LYS 63 HB3 -0.07 0.18 0.20 -0.04 1.79 2.07 2nw9A1 LYS 63 HG2 -0.08 -0.01 -0.17 -0.04 1.46 1.16 2nw9A1 LYS 63 HG3 -0.08 -0.06 0.06 -0.04 1.46 1.34 2nw9A1 LYS 63 HD2 -0.09 -0.02 0.01 -0.04 1.69 1.55 2nw9A1 LYS 63 HD3 -0.11 0.03 0.01 -0.04 1.68 1.57 2nw9A1 LYS 63 HE2 -0.12 0.01 -0.02 -0.04 2.99 2.82 2nw9A1 LYS 63 HE3 -0.10 -0.03 -0.01 -0.04 2.99 2.82 2nw9A1 LEU 64 H 0.06 0.50 -0.10 -0.55 8.37 8.28 2nw9A1 LEU 64 HA 0.06 0.02 0.47 -0.75 4.35 4.14 2nw9A1 LEU 64 HB2 0.09 0.04 0.13 -0.04 1.64 1.85 2nw9A1 LEU 64 HB3 0.29 0.11 0.19 -0.04 1.64 2.18 2nw9A1 LEU 64 HG 0.18 -0.04 -0.17 -0.04 1.64 1.57 2nw9A1 LEU 64 HD13 0.09 -0.01 0.03 -0.04 0.93 1.00 2nw9A1 LEU 64 HD23 0.36 -0.00 -0.01 -0.04 0.89 1.19 2nw9A1 LEU 65 H 0.13 0.75 -0.07 -0.55 8.37 8.64 2nw9A1 LEU 65 HA 0.07 -0.03 0.40 -0.75 4.35 4.04 2nw9A1 LEU 65 HB2 0.06 0.04 0.09 -0.04 1.64 1.78 2nw9A1 LEU 65 HB3 0.05 0.11 0.17 -0.04 1.64 1.93 2nw9A1 LEU 65 HG 0.03 -0.02 -0.17 -0.04 1.64 1.44 2nw9A1 LEU 65 HD13 0.02 -0.01 0.08 -0.04 0.93 0.98 2nw9A1 LEU 65 HD23 -0.01 -0.00 -0.04 -0.04 0.89 0.80 2nw9A1 ALA 66 H 0.06 0.62 -0.21 -0.55 8.40 8.33 2nw9A1 ALA 66 HA 0.11 -0.01 0.42 -0.75 4.34 4.11 2nw9A1 ALA 66 HB3 0.05 0.03 0.09 -0.04 1.41 1.54 2nw9A1 HIS 67 H 0.14 0.48 -0.21 -0.55 8.41 8.28 2nw9A1 HIS 67 HA -0.01 -0.01 0.42 -0.75 4.63 4.27 2nw9A1 HIS 67 HB2 -0.02 0.06 0.16 -0.04 3.26 3.42 2nw9A1 HIS 67 HB3 0.01 0.18 0.25 -0.04 3.20 3.60 2nw9A1 HIS 67 HD2 0.02 -0.00 -0.09 -0.04 6.97 6.85 2nw9A1 HIS 67 HE1 -0.02 -0.01 -0.00 -0.04 7.75 7.68 2nw9A1 GLU 68 H 0.10 0.62 -0.10 -0.55 8.60 8.68 2nw9A1 GLU 68 HA -0.06 0.03 0.52 -0.75 4.29 4.03 2nw9A1 GLU 68 HB2 0.04 0.08 0.13 -0.04 2.09 2.30 2nw9A1 GLU 68 HB3 0.02 -0.01 0.04 -0.04 1.99 2.00 2nw9A1 GLU 68 HG2 0.14 0.21 0.02 -0.04 2.34 2.67 2nw9A1 GLU 68 HG3 0.08 -0.05 -0.08 -0.04 2.34 2.25 2nw9A1 LEU 69 H 0.02 0.71 -0.01 -0.55 8.37 8.54 2nw9A1 LEU 69 HA -0.03 -0.02 0.44 -0.75 4.35 3.99 2nw9A1 LEU 69 HB2 0.03 0.09 0.15 -0.04 1.64 1.86 2nw9A1 LEU 69 HB3 -0.02 -0.04 0.01 -0.04 1.64 1.54 2nw9A1 LEU 69 HG 0.01 0.20 0.10 -0.04 1.64 1.90 2nw9A1 LEU 69 HD13 -0.02 -0.02 -0.05 -0.04 0.93 0.80 2nw9A1 LEU 69 HD23 -0.02 -0.03 -0.01 -0.04 0.89 0.79 2nw9A1 ARG 70 H -0.01 0.63 -0.18 -0.55 8.46 8.35 2nw9A1 ARG 70 HA -0.03 0.04 0.44 -0.75 4.34 4.04 2nw9A1 ARG 70 HB2 -0.06 0.15 0.15 -0.04 1.90 2.10 2nw9A1 ARG 70 HB3 -0.05 -0.05 -0.01 -0.04 1.80 1.64 2nw9A1 ARG 70 HG2 0.08 -0.03 0.04 -0.04 1.67 1.72 2nw9A1 ARG 70 HG3 0.14 0.13 0.05 -0.04 1.67 1.96 2nw9A1 ARG 70 HD2 0.03 -0.03 -0.01 -0.04 3.22 3.17 2nw9A1 ARG 70 HD3 0.17 -0.02 -0.02 -0.04 3.22 3.30 2nw9A1 ALA 71 H -0.14 0.37 -0.31 -0.55 8.40 7.78 2nw9A1 ALA 71 HA -0.25 0.01 0.45 -0.75 4.34 3.81 2nw9A1 ALA 71 HB3 -0.17 0.05 0.13 -0.04 1.41 1.37 2nw9A1 ALA 72 H -0.07 0.44 -0.19 -0.55 8.40 8.04 2nw9A1 ALA 72 HA 0.03 -0.03 0.45 -0.75 4.34 4.03 2nw9A1 ALA 72 HB3 -0.05 0.03 0.09 -0.04 1.41 1.44 2nw9A1 ILE 73 H -0.08 0.51 -0.21 -0.55 8.25 7.92 2nw9A1 ILE 73 HA -0.07 -0.00 0.41 -0.75 4.18 3.76 2nw9A1 ILE 73 HB -0.08 0.17 0.19 -0.04 1.89 2.12 2nw9A1 ILE 73 HG12 -0.07 -0.06 0.00 -0.04 1.49 1.32 2nw9A1 ILE 73 HG13 -0.07 0.08 0.08 -0.04 1.21 1.25 2nw9A1 ILE 73 HG23 -0.09 -0.00 -0.15 -0.04 0.93 0.64 2nw9A1 ILE 73 HD13 -0.08 0.01 -0.03 -0.04 0.88 0.74 2nw9A1 VAL 74 H -0.15 0.48 -0.13 -0.55 8.24 7.88 2nw9A1 VAL 74 HA -0.11 0.03 0.38 -0.75 4.13 3.68 2nw9A1 VAL 74 HB -0.34 0.08 0.16 -0.04 2.12 1.99 2nw9A1 VAL 74 HG13 -0.17 -0.02 -0.09 -0.04 0.97 0.65 2nw9A1 VAL 74 HG23 -0.13 0.05 0.05 -0.04 0.95 0.88 2nw9A1 HIS 75 H -0.27 0.63 -0.15 -0.55 8.41 8.07 2nw9A1 HIS 75 HA -0.12 -0.01 0.39 -0.75 4.63 4.13 2nw9A1 HIS 75 HB2 -0.16 0.10 0.14 -0.04 3.26 3.31 2nw9A1 HIS 75 HB3 -0.20 0.07 0.06 -0.04 3.20 3.08 2nw9A1 HIS 75 HD2 -0.15 -0.01 -0.28 -0.04 6.97 6.48 2nw9A1 HIS 75 HE1 -0.17 -0.01 -0.03 -0.04 7.75 7.49 2nw9A1 LEU 76 H -0.04 0.63 -0.18 -0.55 8.37 8.23 2nw9A1 LEU 76 HA -0.09 -0.08 0.34 -0.75 4.35 3.76 2nw9A1 LEU 76 HB2 -0.05 0.17 0.17 -0.04 1.64 1.89 2nw9A1 LEU 76 HB3 -0.00 0.03 -0.13 -0.04 1.64 1.49 2nw9A1 LEU 76 HG -0.11 0.02 -0.00 -0.04 1.64 1.51 2nw9A1 LEU 76 HD13 -0.03 -0.03 -0.13 -0.04 0.93 0.70 2nw9A1 LEU 76 HD23 -0.20 -0.03 -0.03 -0.04 0.89 0.59 2nw9A1 GLN 77 H -0.03 0.59 -0.12 -0.55 8.47 8.37 2nw9A1 GLN 77 HA 0.02 0.03 0.40 -0.75 4.36 4.06 2nw9A1 GLN 77 HB2 -0.04 0.10 0.12 -0.04 2.15 2.29 2nw9A1 GLN 77 HB3 -0.02 -0.06 0.07 -0.04 2.02 1.97 2nw9A1 GLN 77 HG2 -0.06 -0.05 0.04 -0.04 2.40 2.29 2nw9A1 GLN 77 HG3 -0.06 0.32 0.08 -0.04 2.39 2.70 2nw9A1 GLN 77 HE21 -0.09 -0.03 -0.04 -0.04 6.97 6.78 2nw9A1 GLN 77 HE22 -0.11 0.01 -0.03 -0.04 7.69 7.53 2nw9A1 ARG 78 H 0.01 0.36 -0.42 -0.55 8.46 7.86 2nw9A1 ARG 78 HA 0.03 0.16 0.76 -0.75 4.34 4.54 2nw9A1 ARG 78 HB2 0.02 -0.01 0.11 -0.04 1.90 1.98 2nw9A1 ARG 78 HB3 0.02 -0.07 0.16 -0.04 1.80 1.87 2nw9A1 ARG 78 HG2 -0.01 -0.01 -0.04 -0.04 1.67 1.57 2nw9A1 ARG 78 HG3 -0.03 0.11 -0.05 -0.04 1.67 1.67 2nw9A1 ARG 78 HD2 -0.04 -0.02 -0.08 -0.04 3.22 3.04 2nw9A1 ARG 78 HD3 -0.01 -0.06 -0.00 -0.04 3.22 3.11 2nw9A1 ASP 79 H 0.12 0.50 -0.42 -0.55 8.40 8.05 2nw9A1 ASP 79 HA 0.28 0.04 0.30 -0.75 4.63 4.50 2nw9A1 ASP 79 HB2 0.21 0.15 0.02 -0.04 2.71 3.05 2nw9A1 ASP 79 HB3 0.48 -0.11 0.21 -0.04 2.70 3.23 2nw9A1 GLU 80 H 0.00 0.66 -0.29 -0.55 8.60 8.43 2nw9A1 GLU 80 HA -0.09 0.08 0.67 -0.75 4.29 4.20 2nw9A1 GLU 80 HB2 -0.03 0.04 0.19 -0.04 2.09 2.25 2nw9A1 GLU 80 HB3 -0.40 -0.19 0.09 -0.04 1.99 1.45 2nw9A1 GLU 80 HG2 -0.08 -0.05 0.00 -0.04 2.34 2.17 2nw9A1 GLU 80 HG3 -0.00 0.28 -0.14 -0.04 2.34 2.43 2nw9A1 VAL 81 H -0.06 0.41 0.06 -0.55 8.24 8.09 2nw9A1 VAL 81 HA -0.21 0.11 0.28 -0.75 4.13 3.55 2nw9A1 VAL 81 HB 0.01 -0.05 0.16 -0.04 2.12 2.20 2nw9A1 VAL 81 HG13 -0.11 -0.00 -0.13 -0.04 0.97 0.69 2nw9A1 VAL 81 HG23 -0.18 0.08 -0.00 -0.04 0.95 0.80 2nw9A1 TRP 82 H 0.18 0.18 0.04 -0.55 7.97 7.83 2nw9A1 TRP 82 HA -0.02 0.08 0.39 -0.75 4.62 4.32 2nw9A1 TRP 82 HB2 0.00 0.04 0.06 -0.04 3.23 3.30 2nw9A1 TRP 82 HB3 0.05 0.03 0.12 -0.04 3.23 3.38 2nw9A1 TRP 82 HD1 0.03 0.02 0.05 -0.04 7.22 7.27 2nw9A1 TRP 82 HE1 0.00 0.06 0.00 -0.04 10.20 10.22 2nw9A1 TRP 82 HE3 -0.05 -0.04 -0.30 -0.04 7.59 7.16 2nw9A1 TRP 82 HZ2 -0.01 0.03 -0.02 -0.04 7.44 7.40 2nw9A1 TRP 82 HZ3 -0.04 0.01 -0.06 -0.04 7.13 7.00 2nw9A1 TRP 82 HH2 -0.02 0.03 -0.03 -0.04 7.19 7.12 2nw9A1 GLN 83 H -1.13 0.09 -0.40 -0.55 8.47 6.49 2nw9A1 GLN 83 HA -0.95 0.05 0.39 -0.75 4.36 3.10 2nw9A1 GLN 83 HB2 -1.11 0.12 0.04 -0.04 2.15 1.15 2nw9A1 GLN 83 HB3 -1.91 0.03 -0.03 -0.04 2.02 0.07 2nw9A1 GLN 83 HG2 -0.91 0.06 0.00 -0.04 2.40 1.51 2nw9A1 GLN 83 HG3 -2.33 -0.02 -0.01 -0.04 2.39 -0.01 2nw9A1 GLN 83 HE21 -0.20 0.02 0.00 -0.04 6.97 6.76 2nw9A1 GLN 83 HE22 -0.34 0.04 -0.01 -0.04 7.69 7.34 2nw9A1 CYS 84 H -0.38 0.51 -0.14 -0.55 8.50 7.94 2nw9A1 CYS 84 HA -0.07 0.02 0.44 -0.75 4.58 4.22 2nw9A1 CYS 84 HB2 -0.12 0.05 0.03 -0.04 2.97 2.89 2nw9A1 CYS 84 HB3 -0.18 0.10 0.15 -0.04 2.97 3.00 2nw9A1 ARG 85 H -0.10 0.61 -0.10 -0.55 8.46 8.32 2nw9A1 ARG 85 HA -0.07 0.01 0.38 -0.75 4.34 3.90 2nw9A1 ARG 85 HB2 0.07 0.09 0.12 -0.04 1.90 2.13 2nw9A1 ARG 85 HB3 0.02 -0.03 0.01 -0.04 1.80 1.75 2nw9A1 ARG 85 HG2 -0.08 -0.04 -0.05 -0.04 1.67 1.47 2nw9A1 ARG 85 HG3 -0.02 0.15 -0.07 -0.04 1.67 1.68 2nw9A1 ARG 85 HD2 0.01 -0.02 -0.09 -0.04 3.22 3.08 2nw9A1 ARG 85 HD3 0.09 -0.02 -0.05 -0.04 3.22 3.20 2nw9A1 LYS 86 H -0.01 0.53 -0.25 -0.55 8.42 8.14 2nw9A1 LYS 86 HA 0.06 -0.00 0.41 -0.75 4.32 4.04 2nw9A1 LYS 86 HB2 0.22 0.04 0.13 -0.04 1.87 2.22 2nw9A1 LYS 86 HB3 -0.04 0.15 0.20 -0.04 1.79 2.07 2nw9A1 LYS 86 HG2 0.15 -0.01 -0.02 -0.04 1.46 1.54 2nw9A1 LYS 86 HG3 0.06 -0.02 -0.21 -0.04 1.46 1.25 2nw9A1 LYS 86 HD2 0.08 -0.04 0.06 -0.04 1.69 1.74 2nw9A1 LYS 86 HD3 0.16 0.01 0.02 -0.04 1.68 1.82 2nw9A1 LYS 86 HE2 0.08 -0.00 -0.01 -0.04 2.99 3.01 2nw9A1 LYS 86 HE3 0.14 0.01 -0.02 -0.04 2.99 3.08 2nw9A1 VAL 87 H -0.05 0.56 -0.06 -0.55 8.24 8.14 2nw9A1 VAL 87 HA 0.02 0.02 0.51 -0.75 4.13 3.92 2nw9A1 VAL 87 HB 0.01 0.01 0.07 -0.04 2.12 2.17 2nw9A1 VAL 87 HG13 0.04 0.02 0.02 -0.04 0.97 1.01 2nw9A1 VAL 87 HG23 0.02 0.04 0.06 -0.04 0.95 1.02 2nw9A1 LEU 88 H -0.04 0.57 -0.19 -0.55 8.37 8.17 2nw9A1 LEU 88 HA -0.03 0.01 0.44 -0.75 4.35 4.02 2nw9A1 LEU 88 HB2 -0.06 0.10 0.14 -0.04 1.64 1.78 2nw9A1 LEU 88 HB3 -0.06 -0.05 0.00 -0.04 1.64 1.49 2nw9A1 LEU 88 HG -0.08 0.21 0.03 -0.04 1.64 1.76 2nw9A1 LEU 88 HD13 -0.16 -0.02 -0.10 -0.04 0.93 0.61 2nw9A1 LEU 88 HD23 -0.07 -0.02 -0.04 -0.04 0.89 0.73 2nw9A1 ALA 89 H -0.01 0.55 -0.23 -0.55 8.40 8.16 2nw9A1 ALA 89 HA -0.01 0.00 0.43 -0.75 4.34 4.02 2nw9A1 ALA 89 HB3 0.01 0.05 0.12 -0.04 1.41 1.55 2nw9A1 ARG 90 H 0.01 0.43 -0.17 -0.55 8.46 8.18 2nw9A1 ARG 90 HA 0.00 0.02 0.48 -0.75 4.34 4.09 2nw9A1 ARG 90 HB2 0.04 0.03 0.12 -0.04 1.90 2.05 2nw9A1 ARG 90 HB3 0.03 0.13 0.14 -0.04 1.80 2.06 2nw9A1 ARG 90 HG2 0.05 -0.03 -0.15 -0.04 1.67 1.50 2nw9A1 ARG 90 HG3 0.04 -0.04 0.05 -0.04 1.67 1.68 2nw9A1 ARG 90 HD2 0.08 0.02 -0.01 -0.04 3.22 3.27 2nw9A1 ARG 90 HD3 0.10 -0.02 -0.03 -0.04 3.22 3.24 2nw9A1 SER 91 H 0.00 0.53 -0.22 -0.55 8.46 8.23 2nw9A1 SER 91 HA 0.01 -0.02 0.42 -0.75 4.49 4.13 2nw9A1 SER 91 HB2 -0.01 0.16 0.19 -0.04 3.95 4.25 2nw9A1 SER 91 HB3 0.00 -0.06 0.05 -0.04 3.93 3.88 2nw9A1 LYS 92 H -0.01 0.56 -0.24 -0.55 8.42 8.17 2nw9A1 LYS 92 HA 0.00 0.01 0.44 -0.75 4.32 4.01 2nw9A1 LYS 92 HB2 -0.01 0.17 0.15 -0.04 1.87 2.14 2nw9A1 LYS 92 HB3 -0.00 -0.06 0.00 -0.04 1.79 1.69 2nw9A1 LYS 92 HG2 0.01 -0.07 -0.05 -0.04 1.46 1.31 2nw9A1 LYS 92 HG3 -0.01 0.29 0.08 -0.04 1.46 1.78 2nw9A1 LYS 92 HD2 -0.01 0.01 0.03 -0.04 1.69 1.67 2nw9A1 LYS 92 HD3 -0.00 -0.04 -0.01 -0.04 1.68 1.58 2nw9A1 LYS 92 HE2 -0.03 0.04 0.06 -0.04 2.99 3.02 2nw9A1 LYS 92 HE3 -0.03 -0.00 -0.13 -0.04 2.99 2.78 2nw9A1 GLN 93 H -0.04 0.44 -0.16 -0.55 8.47 8.17 2nw9A1 GLN 93 HA -0.08 0.02 0.46 -0.75 4.36 4.01 2nw9A1 GLN 93 HB2 -0.06 0.14 0.18 -0.04 2.15 2.36 2nw9A1 GLN 93 HB3 -0.10 -0.06 0.04 -0.04 2.02 1.86 2nw9A1 GLN 93 HG2 -0.03 0.19 0.10 -0.04 2.40 2.62 2nw9A1 GLN 93 HG3 -0.02 -0.03 0.03 -0.04 2.39 2.32 2nw9A1 GLN 93 HE21 -0.02 -0.02 -0.01 -0.04 6.97 6.88 2nw9A1 GLN 93 HE22 -0.01 0.02 -0.01 -0.04 7.69 7.65 2nw9A1 VAL 94 H -0.10 0.54 -0.18 -0.55 8.24 7.94 2nw9A1 VAL 94 HA -0.58 0.02 0.51 -0.75 4.13 3.33 2nw9A1 VAL 94 HB -0.05 0.12 0.16 -0.04 2.12 2.31 2nw9A1 VAL 94 HG13 0.00 -0.02 -0.06 -0.04 0.97 0.86 2nw9A1 VAL 94 HG23 -0.01 0.05 -0.00 -0.04 0.95 0.94 2nw9A1 LEU 95 H -0.08 0.61 -0.08 -0.55 8.37 8.26 2nw9A1 LEU 95 HA -0.10 -0.00 0.43 -0.75 4.35 3.92 2nw9A1 LEU 95 HB2 0.00 0.13 0.17 -0.04 1.64 1.90 2nw9A1 LEU 95 HB3 0.03 -0.04 -0.07 -0.04 1.64 1.53 2nw9A1 LEU 95 HG -0.01 0.02 0.05 -0.04 1.64 1.66 2nw9A1 LEU 95 HD13 0.11 0.01 -0.02 -0.04 0.93 0.98 2nw9A1 LEU 95 HD23 -0.10 -0.02 -0.01 -0.04 0.89 0.72 2nw9A1 ARG 96 H -0.09 0.47 -0.33 -0.55 8.46 7.96 2nw9A1 ARG 96 HA 0.01 0.02 0.45 -0.75 4.34 4.07 2nw9A1 ARG 96 HB2 -0.03 0.14 0.14 -0.04 1.90 2.11 2nw9A1 ARG 96 HB3 -0.09 0.11 0.13 -0.04 1.80 1.91 2nw9A1 ARG 96 HG2 -0.03 -0.04 -0.04 -0.04 1.67 1.52 2nw9A1 ARG 96 HG3 0.01 -0.03 0.07 -0.04 1.67 1.68 2nw9A1 ARG 96 HD2 0.00 -0.02 -0.01 -0.04 3.22 3.15 2nw9A1 ARG 96 HD3 -0.01 0.02 -0.01 -0.04 3.22 3.18 2nw9A1 GLN 97 H -0.31 0.47 -0.17 -0.55 8.47 7.92 2nw9A1 GLN 97 HA -0.18 0.01 0.46 -0.75 4.36 3.89 2nw9A1 GLN 97 HB2 -1.15 0.11 0.17 -0.04 2.15 1.24 2nw9A1 GLN 97 HB3 -0.60 -0.06 0.04 -0.04 2.02 1.35 2nw9A1 GLN 97 HG2 -0.55 0.34 0.15 -0.04 2.40 2.29 2nw9A1 GLN 97 HG3 -0.82 -0.05 0.03 -0.04 2.39 1.51 2nw9A1 GLN 97 HE21 -0.09 -0.04 -0.03 -0.04 6.97 6.77 2nw9A1 GLN 97 HE22 -0.18 0.15 0.04 -0.04 7.69 7.65 2nw9A1 LEU 98 H -0.26 0.56 -0.12 -0.55 8.37 8.00 2nw9A1 LEU 98 HA -0.02 -0.02 0.38 -0.75 4.35 3.94 2nw9A1 LEU 98 HB2 -0.06 0.13 0.17 -0.04 1.64 1.84 2nw9A1 LEU 98 HB3 0.03 -0.04 0.00 -0.04 1.64 1.59 2nw9A1 LEU 98 HG -0.09 0.02 0.04 -0.04 1.64 1.58 2nw9A1 LEU 98 HD13 -0.14 -0.02 -0.14 -0.04 0.93 0.58 2nw9A1 LEU 98 HD23 0.06 0.01 0.08 -0.04 0.89 1.00 2nw9A1 THR 99 H 0.12 0.41 -0.38 -0.55 8.28 7.88 2nw9A1 THR 99 HA 0.57 0.04 0.54 -0.75 4.39 4.79 2nw9A1 THR 99 HB 0.15 0.07 0.15 -0.04 4.32 4.64 2nw9A1 THR 99 HG23 0.20 -0.02 -0.17 -0.04 1.22 1.18 2nw9A1 GLU 100 H 0.05 0.69 0.03 -0.55 8.60 8.82 2nw9A1 GLU 100 HA 0.09 0.01 0.43 -0.75 4.29 4.07 2nw9A1 GLU 100 HB2 0.01 0.17 0.18 -0.04 2.09 2.41 2nw9A1 GLU 100 HB3 -0.01 0.02 0.14 -0.04 1.99 2.10 2nw9A1 GLU 100 HG2 0.01 -0.02 -0.00 -0.04 2.34 2.28 2nw9A1 GLU 100 HG3 0.03 -0.06 -0.00 -0.04 2.34 2.26 2nw9A1 GLN 101 H -0.04 0.61 -0.20 -0.55 8.47 8.30 2nw9A1 GLN 101 HA -0.02 0.00 0.34 -0.75 4.36 3.93 2nw9A1 GLN 101 HB2 -0.09 -0.10 0.12 -0.04 2.15 2.04 2nw9A1 GLN 101 HB3 -0.03 0.05 0.09 -0.04 2.02 2.10 2nw9A1 GLN 101 HG2 -0.20 0.24 0.06 -0.04 2.40 2.46 2nw9A1 GLN 101 HG3 -0.48 -0.04 -0.18 -0.04 2.39 1.65 2nw9A1 GLN 101 HE21 0.34 -0.09 -0.19 -0.04 6.97 6.99 2nw9A1 GLN 101 HE22 0.09 0.09 -0.22 -0.04 7.69 7.61 2nw9A1 TRP 102 H 0.03 0.44 -0.55 -0.55 7.97 7.34 2nw9A1 TRP 102 HA -0.08 -0.01 0.42 -0.75 4.62 4.19 2nw9A1 TRP 102 HB2 -0.08 0.15 0.07 -0.04 3.23 3.33 2nw9A1 TRP 102 HB3 -0.12 -0.03 -0.01 -0.04 3.23 3.02 2nw9A1 TRP 102 HD1 -0.14 0.25 0.23 -0.04 7.22 7.52 2nw9A1 TRP 102 HE1 -1.42 -0.03 0.06 -0.04 10.20 8.76 2nw9A1 TRP 102 HE3 -0.16 -0.05 0.02 -0.04 7.59 7.37 2nw9A1 TRP 102 HZ2 -1.46 -0.02 -0.00 -0.04 7.44 5.93 2nw9A1 TRP 102 HZ3 -0.16 -0.03 -0.01 -0.04 7.13 6.90 2nw9A1 TRP 102 HH2 -0.48 -0.06 0.00 -0.04 7.19 6.62 2nw9A1 SER 103 H 0.12 0.54 -0.26 -0.55 8.46 8.31 2nw9A1 SER 103 HA 0.08 0.03 0.31 -0.75 4.49 4.16 2nw9A1 SER 103 HB2 0.05 0.06 0.06 -0.04 3.95 4.07 2nw9A1 SER 103 HB3 0.05 -0.04 0.03 -0.04 3.93 3.92 2nw9A1 VAL 104 H 0.02 0.47 -0.34 -0.55 8.24 7.84 2nw9A1 VAL 104 HA 0.03 0.07 0.49 -0.75 4.13 3.97 2nw9A1 VAL 104 HB -0.02 0.07 0.12 -0.04 2.12 2.25 2nw9A1 VAL 104 HG13 0.02 -0.02 -0.08 -0.04 0.97 0.85 2nw9A1 VAL 104 HG23 0.01 -0.00 0.04 -0.04 0.95 0.95 2nw9A1 LEU 105 H 0.02 0.29 -0.04 -0.55 8.37 8.10 2nw9A1 LEU 105 HA 0.06 -0.01 0.37 -0.75 4.35 4.01 2nw9A1 LEU 105 HB2 -0.04 -0.02 0.11 -0.04 1.64 1.65 2nw9A1 LEU 105 HB3 0.19 0.14 0.09 -0.04 1.64 2.02 2nw9A1 LEU 105 HG 0.10 0.03 0.01 -0.04 1.64 1.74 2nw9A1 LEU 105 HD13 0.10 -0.02 0.01 -0.04 0.93 0.97 2nw9A1 LEU 105 HD23 0.16 -0.01 -0.02 -0.04 0.89 0.98 2nw9A1 GLU 106 H 0.08 0.31 -0.56 -0.55 8.60 7.88 2nw9A1 GLU 106 HA 0.03 0.11 0.49 -0.75 4.29 4.17 2nw9A1 GLU 106 HB2 0.05 0.13 0.03 -0.04 2.09 2.26 2nw9A1 GLU 106 HB3 0.02 -0.04 0.10 -0.04 1.99 2.02 2nw9A1 GLU 106 HG2 0.01 -0.03 -0.02 -0.04 2.34 2.26 2nw9A1 GLU 106 HG3 0.10 0.23 -0.10 -0.04 2.34 2.52 2nw9A1 THR 107 H 0.05 0.42 -0.51 -0.55 8.28 7.69 2nw9A1 THR 107 HA 0.04 0.10 0.62 -0.75 4.39 4.41 2nw9A1 THR 107 HB 0.05 -0.10 0.15 -0.04 4.32 4.39 2nw9A1 THR 107 HG23 0.04 0.02 0.04 -0.04 1.22 1.29 2nw9A1 LEU 108 H 0.06 0.44 -0.43 -0.55 8.37 7.89 2nw9A1 LEU 108 HA 0.11 -0.01 0.76 -0.75 4.35 4.45 2nw9A1 LEU 108 HB2 0.13 -0.08 0.07 -0.04 1.64 1.71 2nw9A1 LEU 108 HB3 0.06 0.26 0.23 -0.04 1.64 2.15 2nw9A1 LEU 108 HG 0.07 0.05 -0.24 -0.04 1.64 1.48 2nw9A1 LEU 108 HD13 0.28 -0.03 -0.03 -0.04 0.93 1.11 2nw9A1 LEU 108 HD23 0.09 -0.02 -0.02 -0.04 0.89 0.90 2nw9A1 THR 109 H 0.09 0.06 0.15 -0.55 8.28 8.02 2nw9A1 THR 109 HA 0.02 0.37 0.68 -0.75 4.39 4.71 2nw9A1 THR 109 HB 0.03 0.03 0.17 -0.04 4.32 4.52 2nw9A1 THR 109 HG23 0.04 0.06 -0.03 -0.04 1.22 1.25 2nw9A1 PRO 110 HA 0.05 0.17 0.54 -0.51 4.44 4.68 2nw9A1 PRO 110 HB2 0.01 -0.08 0.10 -0.04 2.28 2.27 2nw9A1 PRO 110 HB3 0.01 0.10 0.14 -0.04 2.02 2.23 2nw9A1 PRO 110 HG2 -0.01 -0.02 0.14 -0.04 2.03 2.10 2nw9A1 PRO 110 HG3 -0.02 0.32 0.24 -0.04 2.03 2.53 2nw9A1 PRO 110 HD2 0.01 -0.02 0.28 -0.04 3.68 3.91 2nw9A1 PRO 110 HD3 -0.00 0.30 0.36 -0.04 3.65 4.27 2nw9A1 SER 111 H 0.03 0.14 -0.15 -0.55 8.46 7.93 2nw9A1 SER 111 HA 0.02 0.10 0.37 -0.75 4.49 4.23 2nw9A1 SER 111 HB2 0.06 -0.03 0.02 -0.04 3.95 3.95 2nw9A1 SER 111 HB3 0.04 0.04 0.03 -0.04 3.93 4.01 2nw9A1 GLU 112 H 0.09 0.12 -0.26 -0.55 8.60 8.01 2nw9A1 GLU 112 HA 0.26 0.07 0.48 -0.75 4.29 4.35 2nw9A1 GLU 112 HB2 0.19 0.11 0.14 -0.04 2.09 2.49 2nw9A1 GLU 112 HB3 0.36 -0.08 0.05 -0.04 1.99 2.28 2nw9A1 GLU 112 HG2 0.17 0.01 0.03 -0.04 2.34 2.51 2nw9A1 GLU 112 HG3 0.12 -0.07 0.08 -0.04 2.34 2.42 2nw9A1 TYR 113 H 0.10 0.62 -0.02 -0.55 8.29 8.44 2nw9A1 TYR 113 HA -0.71 -0.02 0.33 -0.75 4.56 3.41 2nw9A1 TYR 113 HB2 -0.13 0.09 0.02 -0.04 3.06 2.99 2nw9A1 TYR 113 HB3 -0.19 0.13 0.10 -0.04 2.98 2.97 2nw9A1 TYR 113 HD2 -0.47 0.04 -0.06 -0.04 7.15 6.62 2nw9A1 TYR 113 HE2 -0.49 0.00 -0.05 -0.04 6.85 6.27 2nw9A1 MET 114 H -0.09 0.68 -0.09 -0.55 8.47 8.42 2nw9A1 MET 114 HA -0.38 -0.05 0.42 -0.75 4.52 3.76 2nw9A1 MET 114 HB2 -0.07 0.15 0.10 -0.04 2.15 2.29 2nw9A1 MET 114 HB3 -0.10 -0.04 0.11 -0.04 2.03 1.95 2nw9A1 MET 114 HG2 -0.05 0.13 0.12 -0.04 2.63 2.78 2nw9A1 MET 114 HG3 -0.05 -0.03 0.04 -0.04 2.56 2.49 2nw9A1 MET 114 HE3 -0.13 0.01 -0.03 -0.04 2.10 1.91 2nw9A1 GLY 115 H -0.25 0.38 -0.88 -0.55 8.43 7.14 2nw9A1 GLY 115 HA2 0.00 0.08 0.52 -0.51 4.01 4.11 2nw9A1 GLY 115 HA3 0.08 0.03 0.32 -0.51 4.01 3.93 2nw9A1 PHE 116 H -0.75 0.48 -0.03 -0.55 8.34 7.48 2nw9A1 PHE 116 HA -0.18 0.15 0.64 -0.75 4.62 4.47 2nw9A1 PHE 116 HB2 -0.19 -0.10 0.18 -0.04 3.15 3.01 2nw9A1 PHE 116 HB3 -0.24 0.06 -0.16 -0.04 3.06 2.68 2nw9A1 PHE 116 HD2 -0.76 -0.01 -0.16 -0.04 7.28 6.30 2nw9A1 PHE 116 HE2 -0.56 -0.02 -0.18 -0.04 7.38 6.58 2nw9A1 PHE 116 HZ 0.08 0.03 -0.10 -0.04 7.32 7.29 2nw9A1 ARG 117 H -0.83 0.32 0.15 -0.55 8.46 7.55 2nw9A1 ARG 117 HA -0.81 0.05 0.39 -0.75 4.34 3.22 2nw9A1 ARG 117 HB2 -1.52 0.07 0.02 -0.04 1.90 0.43 2nw9A1 ARG 117 HB3 -0.55 0.02 0.05 -0.04 1.80 1.27 2nw9A1 ARG 117 HG2 -0.32 0.00 -0.04 -0.04 1.67 1.27 2nw9A1 ARG 117 HG3 -0.62 -0.02 0.03 -0.04 1.67 1.01 2nw9A1 ARG 117 HD2 -0.27 0.01 -0.04 -0.04 3.22 2.88 2nw9A1 ARG 117 HD3 -0.21 0.02 -0.07 -0.04 3.22 2.92 2nw9A1 ASP 118 H -0.24 0.13 -0.28 -0.55 8.40 7.46 2nw9A1 ASP 118 HA -0.12 0.10 0.39 -0.75 4.63 4.24 2nw9A1 ASP 118 HB2 -0.07 0.03 0.03 -0.04 2.71 2.66 2nw9A1 ASP 118 HB3 -0.11 0.02 0.07 -0.04 2.70 2.64 2nw9A1 VAL 119 H -0.08 0.33 -0.38 -0.55 8.24 7.56 2nw9A1 VAL 119 HA -0.03 0.10 0.39 -0.75 4.13 3.84 2nw9A1 VAL 119 HB -0.00 0.01 0.03 -0.04 2.12 2.11 2nw9A1 VAL 119 HG13 0.00 -0.03 -0.03 -0.04 0.97 0.88 2nw9A1 VAL 119 HG23 0.02 0.09 -0.09 -0.04 0.95 0.93 2nw9A1 LEU 120 H -0.08 0.39 -0.37 -0.55 8.37 7.77 2nw9A1 LEU 120 HA 0.01 0.03 0.48 -0.75 4.35 4.12 2nw9A1 LEU 120 HB2 -0.05 0.18 0.07 -0.04 1.64 1.81 2nw9A1 LEU 120 HB3 0.04 -0.07 0.01 -0.04 1.64 1.58 2nw9A1 LEU 120 HG -0.13 0.05 0.07 -0.04 1.64 1.59 2nw9A1 LEU 120 HD13 -0.10 -0.02 0.00 -0.04 0.93 0.77 2nw9A1 LEU 120 HD23 0.09 -0.02 -0.07 -0.04 0.89 0.84 2nw9A1 GLY 121 H -0.04 0.24 -0.23 -0.55 8.43 7.86 2nw9A1 GLY 121 HA2 -0.03 0.03 0.31 -0.51 4.01 3.82 2nw9A1 GLY 121 HA3 -0.02 0.06 0.42 -0.51 4.01 3.97 2nw9A1 PRO 122 HA -0.01 0.28 0.67 -0.51 4.44 4.88 2nw9A1 PRO 122 HB2 -0.01 -0.01 0.10 -0.04 2.28 2.32 2nw9A1 PRO 122 HB3 -0.01 -0.01 0.10 -0.04 2.02 2.06 2nw9A1 PRO 122 HG2 -0.03 0.02 0.00 -0.04 2.03 1.98 2nw9A1 PRO 122 HG3 -0.03 -0.00 0.07 -0.04 2.03 2.03 2nw9A1 PRO 122 HD2 -0.02 0.14 0.27 -0.04 3.68 4.03 2nw9A1 PRO 122 HD3 -0.02 0.07 0.18 -0.04 3.65 3.84 2nw9A1 SER 123 H -0.00 0.34 -0.17 -0.55 8.46 8.08 2nw9A1 SER 123 HA -0.00 -0.01 0.38 -0.75 4.49 4.11 2nw9A1 SER 123 HB2 0.02 -0.09 0.06 -0.04 3.95 3.90 2nw9A1 SER 123 HB3 -0.00 0.02 0.13 -0.04 3.93 4.04 2nw9A1 SER 124 H 0.04 0.24 0.22 -0.55 8.46 8.42 2nw9A1 SER 124 HA 0.04 0.14 0.41 -0.75 4.49 4.33 2nw9A1 SER 124 HB2 -0.11 -0.13 0.16 -0.04 3.95 3.83 2nw9A1 SER 124 HB3 -0.01 0.30 -0.35 -0.04 3.93 3.83 2nw9A1 GLY 125 H -0.01 0.20 0.13 -0.55 8.43 8.20 2nw9A1 GLY 125 HA2 0.10 0.10 0.35 -0.51 4.01 4.04 2nw9A1 GLY 125 HA3 0.04 0.09 0.33 -0.51 4.01 3.96 2nw9A1 PHE 126 H -0.03 0.04 -0.48 -0.55 8.34 7.31 2nw9A1 PHE 126 HA 0.13 0.08 0.39 -0.75 4.62 4.46 2nw9A1 PHE 126 HB2 -0.02 0.01 -0.00 -0.04 3.15 3.10 2nw9A1 PHE 126 HB3 -0.03 0.06 -0.02 -0.04 3.06 3.03 2nw9A1 PHE 126 HD2 0.04 0.08 -0.00 -0.04 7.28 7.36 2nw9A1 PHE 126 HE2 0.01 0.02 -0.09 -0.04 7.38 7.28 2nw9A1 PHE 126 HZ -1.26 -0.03 -0.06 -0.04 7.32 5.92 2nw9A1 GLN 127 H 0.16 0.45 -0.29 -0.55 8.47 8.24 2nw9A1 GLN 127 HA -0.07 0.18 0.55 -0.75 4.36 4.26 2nw9A1 GLN 127 HB2 0.10 0.06 0.11 -0.04 2.15 2.37 2nw9A1 GLN 127 HB3 0.13 -0.01 0.17 -0.04 2.02 2.27 2nw9A1 GLN 127 HG2 -0.09 0.10 -0.02 -0.04 2.40 2.36 2nw9A1 GLN 127 HG3 0.05 -0.11 -0.01 -0.04 2.39 2.28 2nw9A1 GLN 127 HE21 -0.13 0.01 -0.01 -0.04 6.97 6.80 2nw9A1 GLN 127 HE22 -0.13 0.06 0.03 -0.04 7.69 7.60 2nw9A1 SER 128 H 0.30 0.48 -0.55 -0.55 8.46 8.14 2nw9A1 SER 128 HA 0.23 0.10 0.69 -0.75 4.49 4.75 2nw9A1 SER 128 HB2 0.17 0.04 0.11 -0.04 3.95 4.23 2nw9A1 SER 128 HB3 0.26 0.13 0.22 -0.04 3.93 4.50 2nw9A1 LEU 129 H 0.17 0.28 0.16 -0.55 8.37 8.43 2nw9A1 LEU 129 HA -0.43 0.14 0.33 -0.75 4.35 3.64 2nw9A1 LEU 129 HB2 -0.19 0.10 0.13 -0.04 1.64 1.63 2nw9A1 LEU 129 HB3 -0.14 -0.03 0.06 -0.04 1.64 1.49 2nw9A1 LEU 129 HG -1.00 0.05 -0.04 -0.04 1.64 0.61 2nw9A1 LEU 129 HD13 -0.21 -0.01 0.02 -0.04 0.93 0.69 2nw9A1 LEU 129 HD23 -0.25 0.01 -0.08 -0.04 0.89 0.53 2nw9A1 GLN 130 H 0.03 0.11 -0.08 -0.55 8.47 7.99 2nw9A1 GLN 130 HA -0.02 0.12 0.39 -0.75 4.36 4.09 2nw9A1 GLN 130 HB2 0.04 -0.02 0.03 -0.04 2.15 2.16 2nw9A1 GLN 130 HB3 0.00 0.06 -0.09 -0.04 2.02 1.95 2nw9A1 GLN 130 HG2 -0.09 0.03 -0.01 -0.04 2.40 2.29 2nw9A1 GLN 130 HG3 -0.03 -0.05 0.05 -0.04 2.39 2.33 2nw9A1 GLN 130 HE21 -0.04 0.29 0.06 -0.04 6.97 7.24 2nw9A1 GLN 130 HE22 -0.00 -0.11 0.06 -0.04 7.69 7.60 2nw9A1 TYR 131 H 0.21 0.09 -0.31 -0.55 8.29 7.73 2nw9A1 TYR 131 HA 0.02 0.07 0.42 -0.75 4.56 4.32 2nw9A1 TYR 131 HB2 0.03 -0.03 0.07 -0.04 3.06 3.09 2nw9A1 TYR 131 HB3 0.13 0.15 0.09 -0.04 2.98 3.31 2nw9A1 TYR 131 HD2 -0.06 0.03 -0.11 -0.04 7.15 6.97 2nw9A1 TYR 131 HE2 -0.20 0.02 -0.05 -0.04 6.85 6.58 2nw9A1 ARG 132 H 0.20 0.47 -0.18 -0.55 8.46 8.39 2nw9A1 ARG 132 HA -0.04 0.03 0.39 -0.75 4.34 3.97 2nw9A1 ARG 132 HB2 0.25 0.12 0.09 -0.04 1.90 2.32 2nw9A1 ARG 132 HB3 -0.10 0.08 0.06 -0.04 1.80 1.80 2nw9A1 ARG 132 HG2 0.05 0.02 -0.07 -0.04 1.67 1.62 2nw9A1 ARG 132 HG3 -1.05 -0.02 -0.13 -0.04 1.67 0.43 2nw9A1 ARG 132 HD2 0.07 -0.03 0.02 -0.04 3.22 3.24 2nw9A1 ARG 132 HD3 -0.15 -0.03 0.09 -0.04 3.22 3.09 2nw9A1 TYR 133 H 0.01 0.47 -0.26 -0.55 8.29 7.95 2nw9A1 TYR 133 HA -0.17 0.03 0.37 -0.75 4.56 4.04 2nw9A1 TYR 133 HB2 -0.13 0.05 0.08 -0.04 3.06 3.02 2nw9A1 TYR 133 HB3 -0.08 0.13 0.16 -0.04 2.98 3.14 2nw9A1 TYR 133 HD2 -0.05 0.01 -0.16 -0.04 7.15 6.91 2nw9A1 TYR 133 HE2 -0.02 0.04 -0.03 -0.04 6.85 6.80 2nw9A1 ILE 134 H 0.02 0.48 -0.19 -0.55 8.25 8.01 2nw9A1 ILE 134 HA -0.04 0.00 0.40 -0.75 4.18 3.79 2nw9A1 ILE 134 HB -0.13 0.13 0.16 -0.04 1.89 2.01 2nw9A1 ILE 134 HG12 0.08 -0.06 -0.01 -0.04 1.49 1.46 2nw9A1 ILE 134 HG13 0.11 0.14 0.10 -0.04 1.21 1.53 2nw9A1 ILE 134 HG23 -0.01 -0.02 -0.12 -0.04 0.93 0.74 2nw9A1 ILE 134 HD13 0.01 0.02 0.01 -0.04 0.88 0.87 2nw9A1 GLU 135 H -0.22 0.57 -0.11 -0.55 8.60 8.29 2nw9A1 GLU 135 HA -0.12 -0.04 0.39 -0.75 4.29 3.77 2nw9A1 GLU 135 HB2 -0.05 0.11 0.19 -0.04 2.09 2.30 2nw9A1 GLU 135 HB3 0.19 0.09 0.02 -0.04 1.99 2.25 2nw9A1 GLU 135 HG2 -0.49 -0.01 0.04 -0.04 2.34 1.84 2nw9A1 GLU 135 HG3 -0.08 -0.04 -0.03 -0.04 2.34 2.15 2nw9A1 PHE 136 H 0.05 0.61 -0.23 -0.55 8.34 8.22 2nw9A1 PHE 136 HA -0.01 0.00 0.09 -0.75 4.62 3.95 2nw9A1 PHE 136 HB2 -0.17 0.11 0.12 -0.04 3.15 3.17 2nw9A1 PHE 136 HB3 -0.10 0.04 -0.20 -0.04 3.06 2.75 2nw9A1 PHE 136 HD2 0.02 0.11 -0.11 -0.04 7.28 7.26 2nw9A1 PHE 136 HE2 0.09 0.00 -0.04 -0.04 7.38 7.40 2nw9A1 PHE 136 HZ 0.12 0.03 -0.07 -0.04 7.32 7.35 2nw9A1 LEU 137 H -0.13 0.59 -0.11 -0.55 8.37 8.18 2nw9A1 LEU 137 HA -0.11 0.11 0.37 -0.75 4.35 3.97 2nw9A1 LEU 137 HB2 -0.36 0.08 0.11 -0.04 1.64 1.42 2nw9A1 LEU 137 HB3 -0.14 0.04 0.13 -0.04 1.64 1.62 2nw9A1 LEU 137 HG -0.11 0.03 0.04 -0.04 1.64 1.56 2nw9A1 LEU 137 HD13 -0.02 -0.02 -0.08 -0.04 0.93 0.77 2nw9A1 LEU 137 HD23 -0.07 -0.03 -0.21 -0.04 0.89 0.55 2nw9A1 LEU 138 H -0.17 0.61 -0.22 -0.55 8.37 8.05 2nw9A1 LEU 138 HA -0.12 -0.07 0.58 -0.75 4.35 4.00 2nw9A1 LEU 138 HB2 -0.81 0.12 0.12 -0.04 1.64 1.03 2nw9A1 LEU 138 HB3 -1.27 -0.12 0.10 -0.04 1.64 0.32 2nw9A1 LEU 138 HG -0.35 0.19 0.04 -0.04 1.64 1.48 2nw9A1 LEU 138 HD13 -1.06 -0.02 -0.05 -0.04 0.93 -0.25 2nw9A1 LEU 138 HD23 -0.17 -0.03 -0.02 -0.04 0.89 0.63 2nw9A1 GLY 139 H 0.04 0.45 -0.45 -0.55 8.43 7.92 2nw9A1 GLY 139 HA2 0.13 0.07 0.37 -0.51 4.01 4.07 2nw9A1 GLY 139 HA3 0.20 0.11 1.03 -0.51 4.01 4.85 2nw9A1 ASN 140 H 0.25 0.32 -0.01 -0.55 8.53 8.55 2nw9A1 ASN 140 HA 0.12 0.10 0.59 -0.75 4.76 4.82 2nw9A1 ASN 140 HB2 0.11 -0.03 0.02 -0.04 2.88 2.94 2nw9A1 ASN 140 HB3 0.29 -0.01 0.13 -0.04 2.79 3.16 2nw9A1 ASN 140 HD21 0.15 -0.03 -0.04 -0.04 7.03 7.07 2nw9A1 ASN 140 HD22 0.19 -0.03 0.00 -0.04 7.74 7.86 2nw9A1 LYS 141 H 0.03 0.43 0.11 -0.55 8.42 8.44 2nw9A1 LYS 141 HA -0.49 0.04 0.64 -0.75 4.32 3.76 2nw9A1 LYS 141 HB2 -0.11 0.01 -0.01 -0.04 1.87 1.72 2nw9A1 LYS 141 HB3 -0.45 0.00 0.00 -0.04 1.79 1.30 2nw9A1 LYS 141 HG2 -0.49 -0.11 -0.07 -0.04 1.46 0.75 2nw9A1 LYS 141 HG3 -0.07 -0.07 -0.17 -0.04 1.46 1.11 2nw9A1 LYS 141 HD2 0.01 0.10 -0.03 -0.04 1.69 1.73 2nw9A1 LYS 141 HD3 -0.14 0.03 0.08 -0.04 1.68 1.61 2nw9A1 LYS 141 HE2 -0.05 -0.06 -0.08 -0.04 2.99 2.76 2nw9A1 LYS 141 HE3 0.02 -0.16 0.03 -0.04 2.99 2.84 2nw9A1 ASN 142 H -0.41 0.16 0.03 -0.55 8.53 7.77 2nw9A1 ASN 142 HA 0.01 0.20 0.72 -0.75 4.76 4.93 2nw9A1 ASN 142 HB2 0.12 0.16 -0.11 -0.04 2.88 3.01 2nw9A1 ASN 142 HB3 0.27 0.01 0.08 -0.04 2.79 3.12 2nw9A1 ASN 142 HD21 0.07 0.01 -0.01 -0.04 7.03 7.06 2nw9A1 ASN 142 HD22 0.06 0.16 0.07 -0.04 7.74 7.98 2nw9A1 PRO 143 HA 0.09 0.07 0.41 -0.51 4.44 4.50 2nw9A1 PRO 143 HB2 0.03 0.01 0.01 -0.04 2.28 2.29 2nw9A1 PRO 143 HB3 0.04 0.04 0.09 -0.04 2.02 2.15 2nw9A1 PRO 143 HG2 -0.01 0.05 0.03 -0.04 2.03 2.06 2nw9A1 PRO 143 HG3 -0.05 0.12 0.07 -0.04 2.03 2.13 2nw9A1 PRO 143 HD2 0.00 0.08 0.17 -0.04 3.68 3.89 2nw9A1 PRO 143 HD3 -0.08 0.30 -0.00 -0.04 3.65 3.82 2nw9A1 GLN 144 H 0.08 0.09 -0.59 -0.55 8.47 7.51 2nw9A1 GLN 144 HA 0.06 0.10 0.45 -0.75 4.36 4.22 2nw9A1 GLN 144 HB2 0.06 0.03 -0.01 -0.04 2.15 2.19 2nw9A1 GLN 144 HB3 0.03 0.02 0.05 -0.04 2.02 2.07 2nw9A1 GLN 144 HG2 0.03 0.02 -0.01 -0.04 2.40 2.41 2nw9A1 GLN 144 HG3 0.04 -0.03 -0.01 -0.04 2.39 2.35 2nw9A1 GLN 144 HE21 0.03 0.01 -0.00 -0.04 6.97 6.97 2nw9A1 GLN 144 HE22 0.03 0.00 0.00 -0.04 7.69 7.69 2nw9A1 MET 145 H 0.22 0.72 -0.09 -0.55 8.47 8.78 2nw9A1 MET 145 HA 0.06 0.06 0.53 -0.75 4.52 4.42 2nw9A1 MET 145 HB2 0.43 0.14 0.11 -0.04 2.15 2.79 2nw9A1 MET 145 HB3 0.24 -0.00 0.02 -0.04 2.03 2.24 2nw9A1 MET 145 HG2 0.21 -0.03 0.05 -0.04 2.63 2.82 2nw9A1 MET 145 HG3 0.27 0.03 0.04 -0.04 2.56 2.86 2nw9A1 MET 145 HE3 -0.05 -0.01 -0.06 -0.04 2.10 1.94 2nw9A1 LEU 146 H 0.23 0.30 -0.30 -0.55 8.37 8.05 2nw9A1 LEU 146 HA 0.33 0.04 0.30 -0.75 4.35 4.27 2nw9A1 LEU 146 HB2 0.15 0.18 0.07 -0.04 1.64 2.00 2nw9A1 LEU 146 HB3 0.16 -0.01 -0.01 -0.04 1.64 1.73 2nw9A1 LEU 146 HG 0.30 -0.06 0.02 -0.04 1.64 1.86 2nw9A1 LEU 146 HD13 0.12 0.02 0.02 -0.04 0.93 1.05 2nw9A1 LEU 146 HD23 0.24 0.01 -0.08 -0.04 0.89 1.02 2nw9A1 GLN 147 H 0.10 0.25 -0.60 -0.55 8.47 7.67 2nw9A1 GLN 147 HA 0.07 0.05 0.35 -0.75 4.36 4.08 2nw9A1 GLN 147 HB2 0.01 0.10 0.09 -0.04 2.15 2.31 2nw9A1 GLN 147 HB3 0.02 -0.04 0.02 -0.04 2.02 1.98 2nw9A1 GLN 147 HG2 0.05 -0.03 0.01 -0.04 2.40 2.38 2nw9A1 GLN 147 HG3 0.06 0.01 0.05 -0.04 2.39 2.48 2nw9A1 GLN 147 HE21 0.02 -0.03 0.02 -0.04 6.97 6.94 2nw9A1 GLN 147 HE22 0.04 -0.01 0.00 -0.04 7.69 7.68 2nw9A1 VAL 148 H -0.05 0.31 -0.13 -0.55 8.24 7.81 2nw9A1 VAL 148 HA -0.09 0.03 0.34 -0.75 4.13 3.65 2nw9A1 VAL 148 HB -0.28 -0.06 0.05 -0.04 2.12 1.79 2nw9A1 VAL 148 HG13 -0.17 -0.00 0.07 -0.04 0.97 0.83 2nw9A1 VAL 148 HG23 -0.94 0.16 -0.13 -0.04 0.95 0.01 2nw9A1 PHE 149 H 0.10 0.34 -0.87 -0.55 8.34 7.36 2nw9A1 PHE 149 HA 0.26 0.13 0.83 -0.75 4.62 5.08 2nw9A1 PHE 149 HB2 0.05 0.15 0.04 -0.04 3.15 3.35 2nw9A1 PHE 149 HB3 -0.02 -0.07 0.13 -0.04 3.06 3.05 2nw9A1 PHE 149 HD2 0.12 0.02 -0.07 -0.04 7.28 7.31 2nw9A1 PHE 149 HE2 0.10 0.09 -0.15 -0.04 7.38 7.38 2nw9A1 PHE 149 HZ 0.13 0.02 -0.65 -0.04 7.32 6.77 2nw9A1 ALA 150 H 0.16 0.51 -0.23 -0.55 8.40 8.29 2nw9A1 ALA 150 HA 0.09 0.07 0.38 -0.75 4.34 4.13 2nw9A1 ALA 150 HB3 0.09 0.01 0.09 -0.04 1.41 1.56 2nw9A1 TYR 151 H 0.42 0.16 -0.19 -0.55 8.29 8.14 2nw9A1 TYR 151 HA 0.04 0.07 0.36 -0.75 4.56 4.27 2nw9A1 TYR 151 HB2 0.04 0.00 0.10 -0.04 3.06 3.16 2nw9A1 TYR 151 HB3 0.03 0.01 0.08 -0.04 2.98 3.07 2nw9A1 TYR 151 HD2 0.06 -0.01 -0.04 -0.04 7.15 7.12 2nw9A1 TYR 151 HE2 0.13 0.04 0.03 -0.04 6.85 7.00 2nw9A1 ASP 152 H -0.29 0.30 -0.91 -0.55 8.40 6.95 2nw9A1 ASP 152 HA -0.24 0.18 0.89 -0.75 4.63 4.71 2nw9A1 ASP 152 HB2 -0.95 0.07 -0.08 -0.04 2.71 1.71 2nw9A1 ASP 152 HB3 -0.50 0.05 0.13 -0.04 2.70 2.35 2nw9A1 PRO 153 HA 0.00 0.13 0.47 -0.51 4.44 4.52 2nw9A1 PRO 153 HB2 -0.00 0.01 0.00 -0.04 2.28 2.25 2nw9A1 PRO 153 HB3 0.01 0.10 0.11 -0.04 2.02 2.20 2nw9A1 PRO 153 HG2 -0.02 -0.11 0.11 -0.04 2.03 1.97 2nw9A1 PRO 153 HG3 -0.01 0.08 0.07 -0.04 2.03 2.13 2nw9A1 PRO 153 HD2 -0.06 0.13 0.16 -0.04 3.68 3.87 2nw9A1 PRO 153 HD3 -0.02 0.32 -0.07 -0.04 3.65 3.84 2nw9A1 ALA 154 H -0.05 0.17 -0.12 -0.55 8.40 7.85 2nw9A1 ALA 154 HA -0.02 0.11 0.43 -0.75 4.34 4.10 2nw9A1 ALA 154 HB3 -0.04 0.01 0.08 -0.04 1.41 1.42 2nw9A1 GLY 155 H -0.09 0.13 -0.12 -0.55 8.43 7.80 2nw9A1 GLY 155 HA2 -0.10 0.04 0.41 -0.51 4.01 3.85 2nw9A1 GLY 155 HA3 -0.15 0.07 0.29 -0.51 4.01 3.71 2nw9A1 GLN 156 H -0.05 0.48 -0.29 -0.55 8.47 8.06 2nw9A1 GLN 156 HA 0.01 -0.01 0.43 -0.75 4.36 4.04 2nw9A1 GLN 156 HB2 0.07 0.35 0.10 -0.04 2.15 2.63 2nw9A1 GLN 156 HB3 0.03 0.05 0.15 -0.04 2.02 2.21 2nw9A1 GLN 156 HG2 0.09 -0.09 -0.11 -0.04 2.40 2.24 2nw9A1 GLN 156 HG3 0.15 0.01 0.04 -0.04 2.39 2.55 2nw9A1 GLN 156 HE21 0.09 -0.10 -0.12 -0.04 6.97 6.80 2nw9A1 GLN 156 HE22 0.14 0.54 -0.17 -0.04 7.69 8.15 2nw9A1 ALA 157 H -0.00 0.49 -0.26 -0.55 8.40 8.08 2nw9A1 ALA 157 HA 0.04 0.02 0.47 -0.75 4.34 4.11 2nw9A1 ALA 157 HB3 0.01 0.05 0.14 -0.04 1.41 1.56 2nw9A1 ARG 158 H -0.01 0.36 -0.18 -0.55 8.46 8.08 2nw9A1 ARG 158 HA 0.05 0.04 0.47 -0.75 4.34 4.15 2nw9A1 ARG 158 HB2 -0.04 0.13 0.15 -0.04 1.90 2.10 2nw9A1 ARG 158 HB3 0.01 -0.03 0.03 -0.04 1.80 1.76 2nw9A1 ARG 158 HG2 -0.01 -0.01 0.01 -0.04 1.67 1.62 2nw9A1 ARG 158 HG3 -0.04 0.12 0.02 -0.04 1.67 1.74 2nw9A1 ARG 158 HD2 -0.09 -0.00 -0.01 -0.04 3.22 3.08 2nw9A1 ARG 158 HD3 -0.06 -0.01 -0.03 -0.04 3.22 3.09 2nw9A1 LEU 159 H 0.03 0.41 -0.27 -0.55 8.37 8.00 2nw9A1 LEU 159 HA 0.16 0.03 0.45 -0.75 4.35 4.24 2nw9A1 LEU 159 HB2 0.03 0.15 0.15 -0.04 1.64 1.93 2nw9A1 LEU 159 HB3 0.19 -0.04 -0.10 -0.04 1.64 1.65 2nw9A1 LEU 159 HG -0.17 0.01 -0.02 -0.04 1.64 1.42 2nw9A1 LEU 159 HD13 -0.23 -0.01 -0.10 -0.04 0.93 0.55 2nw9A1 LEU 159 HD23 -0.33 -0.02 -0.15 -0.04 0.89 0.35 2nw9A1 ARG 160 H 0.10 0.41 -0.22 -0.55 8.46 8.19 2nw9A1 ARG 160 HA 0.13 0.02 0.42 -0.75 4.34 4.15 2nw9A1 ARG 160 HB2 0.09 0.03 0.11 -0.04 1.90 2.09 2nw9A1 ARG 160 HB3 0.07 0.14 0.15 -0.04 1.80 2.12 2nw9A1 ARG 160 HG2 0.06 0.01 -0.18 -0.04 1.67 1.52 2nw9A1 ARG 160 HG3 0.07 -0.05 0.04 -0.04 1.67 1.69 2nw9A1 ARG 160 HD2 0.05 0.01 -0.01 -0.04 3.22 3.23 2nw9A1 ARG 160 HD3 0.05 -0.02 -0.03 -0.04 3.22 3.18 2nw9A1 GLU 161 H 0.09 0.36 -0.34 -0.55 8.60 8.15 2nw9A1 GLU 161 HA 0.05 0.03 0.36 -0.75 4.29 3.97 2nw9A1 GLU 161 HB2 0.06 0.05 0.12 -0.04 2.09 2.27 2nw9A1 GLU 161 HB3 0.09 0.12 0.14 -0.04 1.99 2.30 2nw9A1 GLU 161 HG2 0.04 0.02 -0.21 -0.04 2.34 2.15 2nw9A1 GLU 161 HG3 0.04 -0.02 -0.00 -0.04 2.34 2.31 2nw9A1 VAL 162 H 0.09 0.34 -0.13 -0.55 8.24 7.98 2nw9A1 VAL 162 HA -0.03 0.06 0.36 -0.75 4.13 3.76 2nw9A1 VAL 162 HB -0.23 -0.04 0.07 -0.04 2.12 1.87 2nw9A1 VAL 162 HG13 -0.05 0.02 0.02 -0.04 0.97 0.91 2nw9A1 VAL 162 HG23 -0.27 0.01 -0.13 -0.04 0.95 0.52 2nw9A1 LEU 163 H 0.11 0.29 -0.48 -0.55 8.37 7.74 2nw9A1 LEU 163 HA -0.12 0.03 0.33 -0.75 4.35 3.84 2nw9A1 LEU 163 HB2 0.10 0.05 0.07 -0.04 1.64 1.83 2nw9A1 LEU 163 HB3 0.06 0.11 0.17 -0.04 1.64 1.94 2nw9A1 LEU 163 HG -0.06 -0.01 -0.14 -0.04 1.64 1.38 2nw9A1 LEU 163 HD13 -0.60 0.01 -0.01 -0.04 0.93 0.29 2nw9A1 LEU 163 HD23 0.04 -0.04 -0.02 -0.04 0.89 0.83 2nw9A1 GLU 164 H 0.05 0.46 -0.28 -0.55 8.60 8.29 2nw9A1 GLU 164 HA 0.13 -0.03 0.51 -0.75 4.29 4.15 2nw9A1 GLU 164 HB2 0.07 0.08 0.06 -0.04 2.09 2.25 2nw9A1 GLU 164 HB3 0.10 -0.12 0.14 -0.04 1.99 2.08 2nw9A1 GLU 164 HG2 0.06 -0.12 -0.04 -0.04 2.34 2.20 2nw9A1 GLU 164 HG3 0.06 0.37 0.08 -0.04 2.34 2.81 2nw9A1 ALA 165 H 0.01 0.32 -0.59 -0.55 8.40 7.60 2nw9A1 ALA 165 HA -0.15 0.11 0.89 -0.75 4.34 4.44 2nw9A1 ALA 165 HB3 -0.10 -0.01 0.03 -0.04 1.41 1.29 2nw9A1 PRO 166 HA -0.69 -0.01 0.46 -0.51 4.44 3.70 2nw9A1 PRO 166 HB2 -0.55 0.01 0.02 -0.04 2.28 1.72 2nw9A1 PRO 166 HB3 -1.13 -0.04 0.01 -0.04 2.02 0.83 2nw9A1 PRO 166 HG2 -0.81 0.04 0.06 -0.04 2.03 1.28 2nw9A1 PRO 166 HG3 -3.04 0.03 0.05 -0.04 2.03 -0.97 2nw9A1 PRO 166 HD2 -0.44 0.07 0.19 -0.04 3.68 3.46 2nw9A1 PRO 166 HD3 -0.70 0.16 0.23 -0.04 3.65 3.30 2nw9A1 SER 167 H -0.04 0.00 0.20 -0.55 8.46 8.08 2nw9A1 SER 167 HA -0.05 0.29 0.52 -0.75 4.49 4.50 2nw9A1 SER 167 HB2 0.07 0.12 -0.12 -0.04 3.95 3.99 2nw9A1 SER 167 HB3 0.09 0.16 0.16 -0.04 3.93 4.30 2nw9A1 LEU 168 H 0.00 0.74 0.31 -0.55 8.37 8.88 2nw9A1 LEU 168 HA -0.04 0.08 0.42 -0.75 4.35 4.06 2nw9A1 LEU 168 HB2 -0.04 0.08 0.10 -0.04 1.64 1.74 2nw9A1 LEU 168 HB3 0.03 0.00 0.18 -0.04 1.64 1.81 2nw9A1 LEU 168 HG -0.10 -0.05 -0.25 -0.04 1.64 1.20 2nw9A1 LEU 168 HD13 -0.08 0.01 -0.04 -0.04 0.93 0.78 2nw9A1 LEU 168 HD23 -0.06 -0.00 -0.03 -0.04 0.89 0.76 2nw9A1 TYR 169 H 0.23 0.24 -0.09 -0.55 8.29 8.12 2nw9A1 TYR 169 HA -0.08 0.05 0.42 -0.75 4.56 4.20 2nw9A1 TYR 169 HB2 0.35 0.11 0.11 -0.04 3.06 3.59 2nw9A1 TYR 169 HB3 0.12 0.03 0.10 -0.04 2.98 3.19 2nw9A1 TYR 169 HD2 -0.10 0.06 0.05 -0.04 7.15 7.12 2nw9A1 TYR 169 HE2 0.04 -0.02 -0.02 -0.04 6.85 6.82 2nw9A1 GLU 170 H 0.07 0.13 -0.23 -0.55 8.60 8.03 2nw9A1 GLU 170 HA -0.19 0.01 0.44 -0.75 4.29 3.80 2nw9A1 GLU 170 HB2 -0.12 0.06 0.11 -0.04 2.09 2.09 2nw9A1 GLU 170 HB3 0.07 0.09 0.06 -0.04 1.99 2.17 2nw9A1 GLU 170 HG2 0.26 -0.01 0.05 -0.04 2.34 2.59 2nw9A1 GLU 170 HG3 0.15 -0.08 0.09 -0.04 2.34 2.46 2nw9A1 GLU 171 H -0.07 0.55 -0.35 -0.55 8.60 8.18 2nw9A1 GLU 171 HA -0.09 0.07 0.40 -0.75 4.29 3.91 2nw9A1 GLU 171 HB2 -0.05 0.12 0.10 -0.04 2.09 2.22 2nw9A1 GLU 171 HB3 -0.04 -0.05 -0.01 -0.04 1.99 1.85 2nw9A1 GLU 171 HG2 -0.18 0.18 -0.12 -0.04 2.34 2.17 2nw9A1 GLU 171 HG3 -0.12 -0.03 -0.05 -0.04 2.34 2.10 2nw9A1 PHE 172 H 0.09 0.36 -0.35 -0.55 8.34 7.88 2nw9A1 PHE 172 HA -0.03 0.03 0.46 -0.75 4.62 4.32 2nw9A1 PHE 172 HB2 -0.10 0.03 0.10 -0.04 3.15 3.14 2nw9A1 PHE 172 HB3 -0.10 0.20 0.20 -0.04 3.06 3.33 2nw9A1 PHE 172 HD2 -0.02 0.01 -0.00 -0.04 7.28 7.23 2nw9A1 PHE 172 HE2 0.09 -0.03 -0.04 -0.04 7.38 7.36 2nw9A1 PHE 172 HZ 0.05 0.05 -0.01 -0.04 7.32 7.37 2nw9A1 LEU 173 H -0.21 0.47 -0.12 -0.55 8.37 7.96 2nw9A1 LEU 173 HA -0.49 -0.03 0.41 -0.75 4.35 3.48 2nw9A1 LEU 173 HB2 -0.37 0.21 0.16 -0.04 1.64 1.61 2nw9A1 LEU 173 HB3 -0.54 -0.06 0.03 -0.04 1.64 1.03 2nw9A1 LEU 173 HG -0.72 0.23 0.05 -0.04 1.64 1.16 2nw9A1 LEU 173 HD13 -0.96 -0.02 -0.02 -0.04 0.93 -0.12 2nw9A1 LEU 173 HD23 -0.40 -0.03 -0.03 -0.04 0.89 0.38 2nw9A1 ARG 174 H -0.09 0.52 -0.22 -0.55 8.46 8.11 2nw9A1 ARG 174 HA -0.01 0.02 0.40 -0.75 4.34 3.99 2nw9A1 ARG 174 HB2 -0.02 0.07 0.14 -0.04 1.90 2.05 2nw9A1 ARG 174 HB3 0.01 -0.02 0.04 -0.04 1.80 1.79 2nw9A1 ARG 174 HG2 0.10 0.04 0.05 -0.04 1.67 1.82 2nw9A1 ARG 174 HG3 0.07 -0.08 0.03 -0.04 1.67 1.66 2nw9A1 ARG 174 HD2 -0.04 0.02 -0.03 -0.04 3.22 3.13 2nw9A1 ARG 174 HD3 -0.14 -0.07 -0.20 -0.04 3.22 2.77 2nw9A1 TYR 175 H 0.06 0.37 -0.39 -0.55 8.29 7.78 2nw9A1 TYR 175 HA 0.06 0.09 0.48 -0.75 4.56 4.43 2nw9A1 TYR 175 HB2 0.04 0.09 0.13 -0.04 3.06 3.28 2nw9A1 TYR 175 HB3 -0.05 0.15 0.26 -0.04 2.98 3.30 2nw9A1 TYR 175 HD2 -0.01 0.09 0.01 -0.04 7.15 7.19 2nw9A1 TYR 175 HE2 -0.13 -0.04 -0.05 -0.04 6.85 6.60 2nw9A1 LEU 176 H -0.20 0.53 -0.09 -0.55 8.37 8.06 2nw9A1 LEU 176 HA -0.27 -0.02 0.37 -0.75 4.35 3.68 2nw9A1 LEU 176 HB2 -0.38 0.17 0.11 -0.04 1.64 1.50 2nw9A1 LEU 176 HB3 -0.47 -0.11 -0.01 -0.04 1.64 1.01 2nw9A1 LEU 176 HG -0.85 0.26 0.06 -0.04 1.64 1.07 2nw9A1 LEU 176 HD13 -0.75 -0.03 -0.07 -0.04 0.93 0.03 2nw9A1 LEU 176 HD23 -0.53 -0.02 -0.02 -0.04 0.89 0.28 2nw9A1 ALA 177 H -0.11 0.48 -0.31 -0.55 8.40 7.91 2nw9A1 ALA 177 HA -0.04 0.07 0.42 -0.75 4.34 4.03 2nw9A1 ALA 177 HB3 -0.03 0.04 0.06 -0.04 1.41 1.45 2nw9A1 ARG 178 H -0.07 0.47 -0.23 -0.55 8.46 8.08 2nw9A1 ARG 178 HA -0.15 0.01 0.47 -0.75 4.34 3.92 2nw9A1 ARG 178 HB2 -0.13 0.16 0.19 -0.04 1.90 2.09 2nw9A1 ARG 178 HB3 -0.35 -0.08 0.09 -0.04 1.80 1.42 2nw9A1 ARG 178 HG2 -0.09 -0.08 0.08 -0.04 1.67 1.54 2nw9A1 ARG 178 HG3 -0.04 0.21 0.12 -0.04 1.67 1.93 2nw9A1 ARG 178 HD2 -0.09 -0.06 0.05 -0.04 3.22 3.07 2nw9A1 ARG 178 HD3 -0.03 -0.03 0.05 -0.04 3.22 3.17 2nw9A1 PHE 179 H 0.02 0.31 -0.46 -0.55 8.34 7.66 2nw9A1 PHE 179 HA -0.13 0.20 0.94 -0.75 4.62 4.88 2nw9A1 PHE 179 HB2 -0.20 0.02 0.13 -0.04 3.15 3.06 2nw9A1 PHE 179 HB3 -0.14 -0.08 0.22 -0.04 3.06 3.02 2nw9A1 PHE 179 HD2 -0.39 0.18 0.05 -0.04 7.28 7.08 2nw9A1 PHE 179 HE2 -0.08 -0.01 0.02 -0.04 7.38 7.27 2nw9A1 PHE 179 HZ 0.04 0.01 0.04 -0.04 7.32 7.36 2nw9A1 GLY 180 H -0.08 0.45 -0.34 -0.55 8.43 7.91 2nw9A1 GLY 180 HA2 -0.08 0.02 0.30 -0.51 4.01 3.73 2nw9A1 GLY 180 HA3 -0.11 0.05 0.52 -0.51 4.01 3.96 2nw9A1 HIS 181 H -0.03 0.41 -0.14 -0.55 8.41 8.10 2nw9A1 HIS 181 HA -0.12 0.03 0.48 -0.75 4.63 4.26 2nw9A1 HIS 181 HB2 -0.20 0.06 -0.18 -0.04 3.26 2.90 2nw9A1 HIS 181 HB3 -0.24 -0.08 -0.09 -0.04 3.20 2.75 2nw9A1 HIS 181 HD2 -0.16 0.13 0.07 -0.04 6.97 6.96 2nw9A1 HIS 181 HE1 -0.81 -0.03 -0.02 -0.04 7.75 6.84 2nw9A1 ALA 182 H -0.03 0.09 0.09 -0.55 8.40 8.00 2nw9A1 ALA 182 HA -0.03 0.15 0.39 -0.75 4.34 4.10 2nw9A1 ALA 182 HB3 -0.03 -0.01 0.13 -0.04 1.41 1.46 2nw9A1 ILE 183 H -0.03 0.64 0.12 -0.55 8.25 8.43 2nw9A1 ILE 183 HA -0.03 0.08 0.63 -0.75 4.18 4.11 2nw9A1 ILE 183 HB -0.02 0.04 0.05 -0.04 1.89 1.92 2nw9A1 ILE 183 HG12 -0.09 0.03 -0.41 -0.04 1.49 0.98 2nw9A1 ILE 183 HG13 -0.16 0.12 -0.10 -0.04 1.21 1.03 2nw9A1 ILE 183 HG23 -0.01 0.03 -0.16 -0.04 0.93 0.76 2nw9A1 ILE 183 HD13 -0.30 -0.02 -0.17 -0.04 0.88 0.35 2nw9A1 PRO 184 HA 0.04 0.04 0.40 -0.51 4.44 4.41 2nw9A1 PRO 184 HB2 0.08 -0.04 0.03 -0.04 2.28 2.31 2nw9A1 PRO 184 HB3 0.01 0.00 0.09 -0.04 2.02 2.08 2nw9A1 PRO 184 HG2 0.25 -0.04 0.02 -0.04 2.03 2.23 2nw9A1 PRO 184 HG3 0.09 0.09 0.04 -0.04 2.03 2.21 2nw9A1 PRO 184 HD2 0.30 0.05 0.15 -0.04 3.68 4.14 2nw9A1 PRO 184 HD3 0.07 0.33 0.24 -0.04 3.65 4.24 2nw9A1 GLN 185 H -0.00 0.13 0.18 -0.55 8.47 8.23 2nw9A1 GLN 185 HA 0.02 0.18 0.39 -0.75 4.36 4.20 2nw9A1 GLN 185 HB2 -0.01 0.04 0.15 -0.04 2.15 2.29 2nw9A1 GLN 185 HB3 -0.03 -0.04 0.10 -0.04 2.02 2.00 2nw9A1 GLN 185 HG2 -0.02 0.00 0.00 -0.04 2.40 2.34 2nw9A1 GLN 185 HG3 -0.02 -0.00 -0.06 -0.04 2.39 2.26 2nw9A1 GLN 185 HE21 -0.00 0.04 0.02 -0.04 6.97 6.98 2nw9A1 GLN 185 HE22 -0.00 -0.01 0.01 -0.04 7.69 7.65 2nw9A1 GLN 186 H -0.13 0.02 -0.25 -0.55 8.47 7.57 2nw9A1 GLN 186 HA -0.16 0.16 0.37 -0.75 4.36 3.97 2nw9A1 GLN 186 HB2 -0.29 0.05 0.06 -0.04 2.15 1.92 2nw9A1 GLN 186 HB3 -0.21 -0.04 0.08 -0.04 2.02 1.81 2nw9A1 GLN 186 HG2 -0.48 -0.09 -0.07 -0.04 2.40 1.72 2nw9A1 GLN 186 HG3 -1.04 0.11 -0.34 -0.04 2.39 1.08 2nw9A1 GLN 186 HE21 -0.16 0.02 -0.02 -0.04 6.97 6.78 2nw9A1 GLN 186 HE22 -0.23 -0.05 -0.02 -0.04 7.69 7.34 2nw9A1 TYR 187 H -0.06 0.37 -0.51 -0.55 8.29 7.54 2nw9A1 TYR 187 HA 0.19 0.06 0.37 -0.75 4.56 4.43 2nw9A1 TYR 187 HB2 0.05 0.19 -0.08 -0.04 3.06 3.18 2nw9A1 TYR 187 HB3 0.13 -0.01 0.02 -0.04 2.98 3.08 2nw9A1 TYR 187 HD2 0.13 0.10 -0.03 -0.04 7.15 7.31 2nw9A1 TYR 187 HE2 0.17 -0.02 -0.02 -0.04 6.85 6.94 2nw9A1 GLN 188 H 0.08 0.48 -0.44 -0.55 8.47 8.04 2nw9A1 GLN 188 HA 0.18 0.10 0.64 -0.75 4.36 4.54 2nw9A1 GLN 188 HB2 0.04 0.12 0.12 -0.04 2.15 2.39 2nw9A1 GLN 188 HB3 0.07 -0.05 0.05 -0.04 2.02 2.05 2nw9A1 GLN 188 HG2 0.07 0.01 0.00 -0.04 2.40 2.44 2nw9A1 GLN 188 HG3 0.03 -0.05 0.03 -0.04 2.39 2.36 2nw9A1 GLN 188 HE21 0.03 0.01 0.01 -0.04 6.97 6.99 2nw9A1 GLN 188 HE22 0.04 -0.03 0.03 -0.04 7.69 7.69 2nw9A1 ALA 189 H -0.00 0.29 -0.17 -0.55 8.40 7.97 2nw9A1 ALA 189 HA 0.17 0.06 0.49 -0.75 4.34 4.31 2nw9A1 ALA 189 HB3 0.02 0.02 -0.04 -0.04 1.41 1.37 2nw9A1 ARG 190 H -0.85 0.32 0.18 -0.55 8.46 7.56 2nw9A1 ARG 190 HA -0.38 0.05 0.43 -0.75 4.34 3.69 2nw9A1 ARG 190 HB2 -0.45 -0.15 0.13 -0.04 1.90 1.38 2nw9A1 ARG 190 HB3 -0.46 0.28 0.01 -0.04 1.80 1.59 2nw9A1 ARG 190 HG2 -0.78 0.13 -0.23 -0.04 1.67 0.75 2nw9A1 ARG 190 HG3 -2.36 -0.06 -0.26 -0.04 1.67 -1.05 2nw9A1 ARG 190 HD2 -0.32 -0.01 -0.22 -0.04 3.22 2.64 2nw9A1 ARG 190 HD3 -0.54 0.06 -0.56 -0.04 3.22 2.14 2nw9A1 ASP 191 H -0.35 0.15 0.10 -0.55 8.40 7.76 2nw9A1 ASP 191 HA -0.22 0.11 0.59 -0.75 4.63 4.35 2nw9A1 ASP 191 HB2 -0.14 0.01 0.14 -0.04 2.71 2.68 2nw9A1 ASP 191 HB3 -0.14 0.02 0.23 -0.04 2.70 2.77 2nw9A1 TRP 192 H -0.29 0.37 0.22 -0.55 7.97 7.72 2nw9A1 TRP 192 HA 0.03 0.03 0.27 -0.75 4.62 4.20 2nw9A1 TRP 192 HB2 -0.00 0.10 -0.28 -0.04 3.23 3.01 2nw9A1 TRP 192 HB3 0.01 0.13 -0.36 -0.04 3.23 2.97 2nw9A1 TRP 192 HD1 0.01 0.14 0.11 -0.04 7.22 7.43 2nw9A1 TRP 192 HE1 0.01 -0.02 0.08 -0.04 10.20 10.22 2nw9A1 TRP 192 HE3 0.07 0.03 -0.04 -0.04 7.59 7.60 2nw9A1 TRP 192 HZ2 0.03 0.11 -0.29 -0.04 7.44 7.26 2nw9A1 TRP 192 HZ3 0.17 -0.09 -0.04 -0.04 7.13 7.12 2nw9A1 TRP 192 HH2 0.11 0.22 -0.12 -0.04 7.19 7.36 2nw9A1 THR 193 H 0.08 -0.08 -0.35 -0.55 8.28 7.38 2nw9A1 THR 193 HA 0.02 0.42 0.37 -0.75 4.39 4.44 2nw9A1 THR 193 HB -0.01 -0.07 0.02 -0.04 4.32 4.22 2nw9A1 THR 193 HG23 0.05 -0.01 -0.08 -0.04 1.22 1.14 2nw9A1 ALA 194 H 0.02 0.36 -0.45 -0.55 8.40 7.78 2nw9A1 ALA 194 HA -0.00 0.00 0.68 -0.75 4.34 4.27 2nw9A1 ALA 194 HB3 -0.02 0.00 0.05 -0.04 1.41 1.40 2nw9A1 ALA 195 H 0.02 0.07 0.19 -0.55 8.40 8.13 2nw9A1 ALA 195 HA 0.10 0.11 0.56 -0.75 4.34 4.36 2nw9A1 ALA 195 HB3 0.05 0.05 0.23 -0.04 1.41 1.69 2nw9A1 HIS 196 H 0.28 0.17 0.30 -0.55 8.41 8.61 2nw9A1 HIS 196 HA 0.17 0.02 0.42 -0.75 4.63 4.48 2nw9A1 HIS 196 HB2 0.29 0.01 0.19 -0.04 3.26 3.71 2nw9A1 HIS 196 HB3 0.25 0.05 0.17 -0.04 3.20 3.63 2nw9A1 HIS 196 HD2 0.32 0.01 -0.22 -0.04 6.97 7.03 2nw9A1 HIS 196 HE1 0.38 -0.06 -0.00 -0.04 7.75 8.02 2nw9A1 VAL 197 H -0.37 0.14 0.18 -0.55 8.24 7.64 2nw9A1 VAL 197 HA -0.10 0.18 0.92 -0.75 4.13 4.38 2nw9A1 VAL 197 HB -0.10 -0.05 0.07 -0.04 2.12 2.00 2nw9A1 VAL 197 HG13 -0.04 0.03 -0.02 -0.04 0.97 0.90 2nw9A1 VAL 197 HG23 -0.04 0.05 -0.06 -0.04 0.95 0.86 2nw9A1 ALA 198 H -0.03 0.16 0.10 -0.55 8.40 8.09 2nw9A1 ALA 198 HA 0.15 -0.07 0.32 -0.75 4.34 3.98 2nw9A1 ALA 198 HB3 0.06 0.02 0.04 -0.04 1.41 1.49 2nw9A1 ASP 199 H 0.25 0.10 0.14 -0.55 8.40 8.34 2nw9A1 ASP 199 HA 0.10 0.19 0.94 -0.75 4.63 5.11 2nw9A1 ASP 199 HB2 0.30 0.21 0.07 -0.04 2.71 3.24 2nw9A1 ASP 199 HB3 0.31 -0.06 0.21 -0.04 2.70 3.13 2nw9A1 ASP 200 H 0.08 0.30 0.10 -0.55 8.40 8.33 2nw9A1 ASP 200 HA 0.10 0.08 0.39 -0.75 4.63 4.45 2nw9A1 ASP 200 HB2 0.05 0.02 0.10 -0.04 2.71 2.84 2nw9A1 ASP 200 HB3 0.05 0.05 0.05 -0.04 2.70 2.81 2nw9A1 THR 201 H 0.08 0.09 -0.23 -0.55 8.28 7.67 2nw9A1 THR 201 HA 0.04 0.12 0.43 -0.75 4.39 4.23 2nw9A1 THR 201 HB 0.04 0.07 0.13 -0.04 4.32 4.52 2nw9A1 THR 201 HG23 0.04 -0.00 0.04 -0.04 1.22 1.26 2nw9A1 LEU 202 H 0.12 0.38 -0.50 -0.55 8.37 7.82 2nw9A1 LEU 202 HA -0.06 0.19 0.71 -0.75 4.35 4.44 2nw9A1 LEU 202 HB2 0.22 0.16 0.11 -0.04 1.64 2.08 2nw9A1 LEU 202 HB3 0.06 -0.06 0.07 -0.04 1.64 1.66 2nw9A1 LEU 202 HG 0.15 -0.07 -0.03 -0.04 1.64 1.66 2nw9A1 LEU 202 HD13 0.10 -0.01 0.03 -0.04 0.93 1.00 2nw9A1 LEU 202 HD23 -0.18 0.03 0.00 -0.04 0.89 0.71 2nw9A1 ARG 203 H 0.10 0.44 -0.18 -0.55 8.46 8.27 2nw9A1 ARG 203 HA 0.21 -0.00 0.35 -0.75 4.34 4.15 2nw9A1 ARG 203 HB2 0.11 -0.03 0.14 -0.04 1.90 2.08 2nw9A1 ARG 203 HB3 0.07 0.13 0.15 -0.04 1.80 2.11 2nw9A1 ARG 203 HG2 0.08 -0.01 -0.22 -0.04 1.67 1.47 2nw9A1 ARG 203 HG3 0.11 -0.05 -0.02 -0.04 1.67 1.66 2nw9A1 ARG 203 HD2 0.06 0.03 -0.02 -0.04 3.22 3.25 2nw9A1 ARG 203 HD3 0.06 0.01 -0.06 -0.04 3.22 3.19 2nw9A1 PRO 204 HA 0.04 0.04 0.44 -0.51 4.44 4.44 2nw9A1 PRO 204 HB2 -0.00 0.04 -0.02 -0.04 2.28 2.26 2nw9A1 PRO 204 HB3 0.02 0.03 0.07 -0.04 2.02 2.10 2nw9A1 PRO 204 HG2 -0.02 0.10 0.01 -0.04 2.03 2.08 2nw9A1 PRO 204 HG3 0.01 0.05 0.05 -0.04 2.03 2.09 2nw9A1 PRO 204 HD2 0.03 0.02 -0.40 -0.04 3.68 3.30 2nw9A1 PRO 204 HD3 0.04 0.12 0.07 -0.04 3.65 3.84 2nw9A1 VAL 205 H -0.10 0.26 -0.42 -0.55 8.24 7.43 2nw9A1 VAL 205 HA -0.14 0.03 0.41 -0.75 4.13 3.68 2nw9A1 VAL 205 HB -0.60 0.16 0.13 -0.04 2.12 1.77 2nw9A1 VAL 205 HG13 -0.51 -0.02 -0.15 -0.04 0.97 0.24 2nw9A1 VAL 205 HG23 -0.16 -0.01 0.00 -0.04 0.95 0.74 2nw9A1 PHE 206 H -0.13 0.47 -0.07 -0.55 8.34 8.06 2nw9A1 PHE 206 HA 0.05 0.04 0.49 -0.75 4.62 4.44 2nw9A1 PHE 206 HB2 0.11 0.10 0.07 -0.04 3.15 3.39 2nw9A1 PHE 206 HB3 0.25 -0.02 0.01 -0.04 3.06 3.26 2nw9A1 PHE 206 HD2 0.11 0.02 -0.10 -0.04 7.28 7.26 2nw9A1 PHE 206 HE2 0.14 -0.03 -0.09 -0.04 7.38 7.36 2nw9A1 PHE 206 HZ 0.05 0.00 -0.08 -0.04 7.32 7.25 2nw9A1 GLU 207 H 0.14 0.48 -0.20 -0.55 8.60 8.47 2nw9A1 GLU 207 HA 0.18 0.03 0.38 -0.75 4.29 4.12 2nw9A1 GLU 207 HB2 0.07 0.06 0.12 -0.04 2.09 2.30 2nw9A1 GLU 207 HB3 0.08 -0.04 -0.03 -0.04 1.99 1.97 2nw9A1 GLU 207 HG2 0.09 -0.02 -0.07 -0.04 2.34 2.30 2nw9A1 GLU 207 HG3 0.11 0.41 -0.01 -0.04 2.34 2.81 2nw9A1 ARG 208 H 0.03 0.54 -0.19 -0.55 8.46 8.29 2nw9A1 ARG 208 HA 0.08 0.02 0.35 -0.75 4.34 4.02 2nw9A1 ARG 208 HB2 0.00 0.02 0.12 -0.04 1.90 2.01 2nw9A1 ARG 208 HB3 -0.09 0.15 0.14 -0.04 1.80 1.95 2nw9A1 ARG 208 HG2 -0.10 -0.01 -0.23 -0.04 1.67 1.29 2nw9A1 ARG 208 HG3 0.13 -0.04 0.02 -0.04 1.67 1.74 2nw9A1 ARG 208 HD2 -0.10 0.01 0.00 -0.04 3.22 3.08 2nw9A1 ARG 208 HD3 0.08 -0.01 -0.03 -0.04 3.22 3.22 2nw9A1 ILE 209 H -0.01 0.31 -0.32 -0.55 8.25 7.68 2nw9A1 ILE 209 HA -0.03 0.03 0.39 -0.75 4.18 3.81 2nw9A1 ILE 209 HB 0.08 0.11 0.14 -0.04 1.89 2.17 2nw9A1 ILE 209 HG12 -0.30 -0.07 0.02 -0.04 1.49 1.09 2nw9A1 ILE 209 HG13 -0.29 0.16 0.07 -0.04 1.21 1.11 2nw9A1 ILE 209 HG23 -0.07 -0.00 -0.23 -0.04 0.93 0.58 2nw9A1 ILE 209 HD13 -0.20 -0.03 -0.09 -0.04 0.88 0.52 2nw9A1 TYR 210 H 0.25 0.60 -0.08 -0.55 8.29 8.51 2nw9A1 TYR 210 HA -0.05 0.01 0.41 -0.75 4.56 4.18 2nw9A1 TYR 210 HB2 0.08 0.12 0.11 -0.04 3.06 3.33 2nw9A1 TYR 210 HB3 0.05 -0.03 0.02 -0.04 2.98 2.97 2nw9A1 TYR 210 HD2 0.15 0.13 0.03 -0.04 7.15 7.43 2nw9A1 TYR 210 HE2 0.14 -0.03 -0.01 -0.04 6.85 6.90 2nw9A1 GLU 211 H 0.13 0.40 -0.47 -0.55 8.60 8.12 2nw9A1 GLU 211 HA 0.07 0.08 0.67 -0.75 4.29 4.36 2nw9A1 GLU 211 HB2 0.10 0.26 0.12 -0.04 2.09 2.53 2nw9A1 GLU 211 HB3 0.08 -0.04 0.03 -0.04 1.99 2.01 2nw9A1 GLU 211 HG2 0.06 -0.03 0.08 -0.04 2.34 2.41 2nw9A1 GLU 211 HG3 0.07 -0.05 0.04 -0.04 2.34 2.36 2nw9A1 ASN 212 H 0.09 0.41 -0.49 -0.55 8.53 7.99 2nw9A1 ASN 212 HA 0.02 0.07 0.65 -0.75 4.76 4.74 2nw9A1 ASN 212 HB2 0.09 0.10 -0.14 -0.04 2.88 2.89 2nw9A1 ASN 212 HB3 0.18 0.06 0.19 -0.04 2.79 3.18 2nw9A1 ASN 212 HD21 -0.06 -0.01 0.04 -0.04 7.03 6.96 2nw9A1 ASN 212 HD22 -0.02 0.07 0.04 -0.04 7.74 7.79 2nw9A1 THR 213 H -0.09 0.25 -0.07 -0.55 8.28 7.82 2nw9A1 THR 213 HA -0.15 0.18 0.32 -0.75 4.39 3.98 2nw9A1 THR 213 HB -0.62 -0.02 -0.01 -0.04 4.32 3.63 2nw9A1 THR 213 HG23 -0.90 0.05 0.01 -0.04 1.22 0.34 2nw9A1 ASP 214 H -0.01 0.09 -0.23 -0.55 8.40 7.70 2nw9A1 ASP 214 HA 0.08 0.09 0.39 -0.75 4.63 4.43 2nw9A1 ASP 214 HB2 0.00 -0.00 0.08 -0.04 2.71 2.75 2nw9A1 ASP 214 HB3 0.00 -0.00 0.02 -0.04 2.70 2.68 2nw9A1 ARG 215 H -0.04 0.10 -0.23 -0.55 8.46 7.74 2nw9A1 ARG 215 HA -0.01 0.09 0.54 -0.75 4.34 4.21 2nw9A1 ARG 215 HB2 -0.19 -0.04 0.09 -0.04 1.90 1.73 2nw9A1 ARG 215 HB3 -0.45 0.12 0.16 -0.04 1.80 1.59 2nw9A1 ARG 215 HG2 -1.07 0.01 -0.23 -0.04 1.67 0.33 2nw9A1 ARG 215 HG3 -0.30 -0.02 0.05 -0.04 1.67 1.36 2nw9A1 ARG 215 HD2 -0.23 -0.02 0.02 -0.04 3.22 2.95 2nw9A1 ARG 215 HD3 -0.60 0.03 0.00 -0.04 3.22 2.61 2nw9A1 TYR 216 H -0.03 0.62 0.01 -0.55 8.29 8.34 2nw9A1 TYR 216 HA -0.07 0.13 0.79 -0.75 4.56 4.66 2nw9A1 TYR 216 HB2 -0.00 0.21 0.19 -0.04 3.06 3.42 2nw9A1 TYR 216 HB3 0.01 -0.17 0.21 -0.04 2.98 3.00 2nw9A1 TYR 216 HD2 0.03 0.09 0.03 -0.04 7.15 7.26 2nw9A1 TYR 216 HE2 -0.03 0.04 -0.05 -0.04 6.85 6.78 2nw9A1 TRP 217 H 0.25 0.37 -0.58 -0.55 7.97 7.45 2nw9A1 TRP 217 HA 0.20 0.08 0.42 -0.75 4.62 4.57 2nw9A1 TRP 217 HB2 0.10 -0.08 0.06 -0.04 3.23 3.26 2nw9A1 TRP 217 HB3 0.06 0.22 0.14 -0.04 3.23 3.61 2nw9A1 TRP 217 HD1 -0.01 0.42 0.11 -0.04 7.22 7.70 2nw9A1 TRP 217 HE1 0.01 0.02 0.08 -0.04 10.20 10.26 2nw9A1 TRP 217 HE3 0.05 -0.03 -0.26 -0.04 7.59 7.31 2nw9A1 TRP 217 HZ2 0.03 0.02 0.03 -0.04 7.44 7.48 2nw9A1 TRP 217 HZ3 0.04 -0.04 -0.04 -0.04 7.13 7.05 2nw9A1 TRP 217 HH2 0.05 -0.02 0.01 -0.04 7.19 7.18 2nw9A1 ARG 218 H -0.97 0.19 -0.17 -0.55 8.46 6.95 2nw9A1 ARG 218 HA -0.43 0.07 0.47 -0.75 4.34 3.71 2nw9A1 ARG 218 HB2 -0.46 0.01 0.10 -0.04 1.90 1.50 2nw9A1 ARG 218 HB3 -0.41 0.01 0.02 -0.04 1.80 1.38 2nw9A1 ARG 218 HG2 -1.96 -0.02 0.04 -0.04 1.67 -0.32 2nw9A1 ARG 218 HG3 -2.29 0.02 0.08 -0.04 1.67 -0.56 2nw9A1 ARG 218 HD2 -0.50 0.06 0.06 -0.04 3.22 2.79 2nw9A1 ARG 218 HD3 -0.40 -0.02 0.05 -0.04 3.22 2.81 2nw9A1 GLU 219 H -0.06 0.14 -0.13 -0.55 8.60 8.00 2nw9A1 GLU 219 HA 0.18 0.05 0.38 -0.75 4.29 4.15 2nw9A1 GLU 219 HB2 0.05 0.11 0.11 -0.04 2.09 2.32 2nw9A1 GLU 219 HB3 0.02 -0.01 0.01 -0.04 1.99 1.97 2nw9A1 GLU 219 HG2 -0.29 0.05 0.02 -0.04 2.34 2.08 2nw9A1 GLU 219 HG3 0.09 -0.00 -0.00 -0.04 2.34 2.39 2nw9A1 TYR 220 H 0.17 0.66 -0.17 -0.55 8.29 8.40 2nw9A1 TYR 220 HA -0.24 -0.00 0.37 -0.75 4.56 3.93 2nw9A1 TYR 220 HB2 -0.05 0.11 0.03 -0.04 3.06 3.11 2nw9A1 TYR 220 HB3 0.05 0.05 0.16 -0.04 2.98 3.21 2nw9A1 TYR 220 HD2 -0.26 0.00 -0.01 -0.04 7.15 6.84 2nw9A1 TYR 220 HE2 0.12 0.00 -0.03 -0.04 6.85 6.90 2nw9A1 SER 221 H 0.09 0.60 -0.18 -0.55 8.46 8.42 2nw9A1 SER 221 HA -0.21 0.00 0.40 -0.75 4.49 3.93 2nw9A1 SER 221 HB2 0.03 0.12 0.19 -0.04 3.95 4.25 2nw9A1 SER 221 HB3 0.01 -0.08 0.01 -0.04 3.93 3.82 2nw9A1 LEU 222 H -0.08 0.51 -0.15 -0.55 8.37 8.10 2nw9A1 LEU 222 HA -0.25 0.00 0.44 -0.75 4.35 3.79 2nw9A1 LEU 222 HB2 -0.11 0.11 0.12 -0.04 1.64 1.72 2nw9A1 LEU 222 HB3 -0.67 -0.04 -0.00 -0.04 1.64 0.89 2nw9A1 LEU 222 HG -0.16 0.08 0.04 -0.04 1.64 1.56 2nw9A1 LEU 222 HD13 -0.24 -0.01 -0.06 -0.04 0.93 0.58 2nw9A1 LEU 222 HD23 -0.24 -0.01 -0.04 -0.04 0.89 0.56 2nw9A1 CYS 223 H -0.11 0.63 -0.16 -0.55 8.50 8.31 2nw9A1 CYS 223 HA -0.30 -0.03 0.41 -0.75 4.58 3.91 2nw9A1 CYS 223 HB2 -0.06 0.18 0.20 -0.04 2.97 3.24 2nw9A1 CYS 223 HB3 0.07 -0.05 0.00 -0.04 2.97 2.95 2nw9A1 GLU 224 H -0.19 0.59 -0.12 -0.55 8.60 8.33 2nw9A1 GLU 224 HA -0.09 0.01 0.46 -0.75 4.29 3.91 2nw9A1 GLU 224 HB2 -0.24 0.13 0.14 -0.04 2.09 2.08 2nw9A1 GLU 224 HB3 -0.13 -0.05 0.03 -0.04 1.99 1.79 2nw9A1 GLU 224 HG2 -0.28 0.13 0.06 -0.04 2.34 2.21 2nw9A1 GLU 224 HG3 -0.37 -0.02 0.00 -0.04 2.34 1.92 2nw9A1 ASP 225 H -0.18 0.51 -0.21 -0.55 8.40 7.96 2nw9A1 ASP 225 HA -0.09 0.02 0.44 -0.75 4.63 4.24 2nw9A1 ASP 225 HB2 -0.22 0.14 0.18 -0.04 2.71 2.77 2nw9A1 ASP 225 HB3 -0.14 -0.07 -0.03 -0.04 2.70 2.43 2nw9A1 LEU 226 H -0.29 0.59 -0.15 -0.55 8.37 7.97 2nw9A1 LEU 226 HA -0.20 0.01 0.49 -0.75 4.35 3.91 2nw9A1 LEU 226 HB2 -0.50 0.14 0.16 -0.04 1.64 1.40 2nw9A1 LEU 226 HB3 -1.17 -0.10 0.04 -0.04 1.64 0.37 2nw9A1 LEU 226 HG -0.60 0.21 0.06 -0.04 1.64 1.26 2nw9A1 LEU 226 HD13 -0.82 -0.02 -0.03 -0.04 0.93 0.01 2nw9A1 LEU 226 HD23 -0.54 -0.02 -0.05 -0.04 0.89 0.24 2nw9A1 VAL 227 H -0.14 0.52 -0.14 -0.55 8.24 7.94 2nw9A1 VAL 227 HA 0.02 -0.03 0.42 -0.75 4.13 3.79 2nw9A1 VAL 227 HB -0.10 0.12 0.17 -0.04 2.12 2.28 2nw9A1 VAL 227 HG13 -0.17 -0.01 -0.08 -0.04 0.97 0.66 2nw9A1 VAL 227 HG23 -0.36 0.08 0.01 -0.04 0.95 0.63 2nw9A1 ASP 228 H -0.02 0.65 -0.16 -0.55 8.40 8.33 2nw9A1 ASP 228 HA 0.06 -0.00 0.39 -0.75 4.63 4.32 2nw9A1 ASP 228 HB2 -0.01 0.16 0.21 -0.04 2.71 3.03 2nw9A1 ASP 228 HB3 0.02 -0.07 -0.01 -0.04 2.70 2.61 2nw9A1 VAL 229 H 0.06 0.59 -0.13 -0.55 8.24 8.21 2nw9A1 VAL 229 HA 0.10 0.00 0.40 -0.75 4.13 3.88 2nw9A1 VAL 229 HB 0.15 0.08 0.18 -0.04 2.12 2.49 2nw9A1 VAL 229 HG13 0.08 -0.02 -0.13 -0.04 0.97 0.86 2nw9A1 VAL 229 HG23 0.00 0.05 0.04 -0.04 0.95 1.00 2nw9A1 GLU 230 H 0.31 0.65 -0.07 -0.55 8.60 8.95 2nw9A1 GLU 230 HA 0.25 0.01 0.48 -0.75 4.29 4.28 2nw9A1 GLU 230 HB2 -0.00 -0.06 0.14 -0.04 2.09 2.12 2nw9A1 GLU 230 HB3 0.42 0.14 0.18 -0.04 1.99 2.69 2nw9A1 GLU 230 HG2 0.13 0.08 -0.16 -0.04 2.34 2.35 2nw9A1 GLU 230 HG3 0.11 -0.00 0.03 -0.04 2.34 2.44 2nw9A1 THR 231 H 0.24 0.70 -0.10 -0.55 8.28 8.58 2nw9A1 THR 231 HA 0.15 0.01 0.43 -0.75 4.39 4.23 2nw9A1 THR 231 HB 0.13 0.10 0.17 -0.04 4.32 4.68 2nw9A1 THR 231 HG23 0.09 -0.02 -0.07 -0.04 1.22 1.18 2nw9A1 GLN 232 H 0.16 0.65 -0.11 -0.55 8.47 8.62 2nw9A1 GLN 232 HA 0.13 0.00 0.41 -0.75 4.36 4.15 2nw9A1 GLN 232 HB2 0.09 0.05 0.12 -0.04 2.15 2.36 2nw9A1 GLN 232 HB3 0.13 0.10 0.12 -0.04 2.02 2.33 2nw9A1 GLN 232 HG2 0.05 0.02 -0.10 -0.04 2.40 2.33 2nw9A1 GLN 232 HG3 0.11 -0.02 -0.23 -0.04 2.39 2.21 2nw9A1 GLN 232 HE21 0.09 -0.00 0.01 -0.04 6.97 7.02 2nw9A1 GLN 232 HE22 0.14 -0.02 -0.01 -0.04 7.69 7.76 2nw9A1 PHE 233 H 0.34 0.48 -0.24 -0.55 8.34 8.37 2nw9A1 PHE 233 HA 0.23 -0.00 0.47 -0.75 4.62 4.57 2nw9A1 PHE 233 HB2 0.13 0.14 0.16 -0.04 3.15 3.54 2nw9A1 PHE 233 HB3 0.30 0.09 0.15 -0.04 3.06 3.56 2nw9A1 PHE 233 HD2 0.15 0.03 -0.14 -0.04 7.28 7.28 2nw9A1 PHE 233 HE2 0.11 -0.01 -0.06 -0.04 7.38 7.38 2nw9A1 PHE 233 HZ -0.27 -0.01 -0.04 -0.04 7.32 6.96 2nw9A1 GLN 234 H 0.32 0.66 -0.07 -0.55 8.47 8.83 2nw9A1 GLN 234 HA 0.30 0.02 0.43 -0.75 4.36 4.36 2nw9A1 GLN 234 HB2 0.10 0.11 0.17 -0.04 2.15 2.49 2nw9A1 GLN 234 HB3 0.07 -0.03 0.08 -0.04 2.02 2.09 2nw9A1 GLN 234 HG2 0.14 0.24 0.13 -0.04 2.40 2.87 2nw9A1 GLN 234 HG3 -0.04 -0.06 0.02 -0.04 2.39 2.26 2nw9A1 GLN 234 HE21 -0.22 0.44 0.06 -0.04 6.97 7.21 2nw9A1 GLN 234 HE22 -0.21 -0.22 0.05 -0.04 7.69 7.27 2nw9A1 LEU 235 H 0.19 0.46 -0.29 -0.55 8.37 8.19 2nw9A1 LEU 235 HA 0.11 0.00 0.46 -0.75 4.35 4.17 2nw9A1 LEU 235 HB2 0.10 0.06 0.12 -0.04 1.64 1.87 2nw9A1 LEU 235 HB3 0.16 0.18 0.16 -0.04 1.64 2.09 2nw9A1 LEU 235 HG 0.12 -0.02 -0.11 -0.04 1.64 1.59 2nw9A1 LEU 235 HD13 0.06 -0.02 0.05 -0.04 0.93 0.97 2nw9A1 LEU 235 HD23 0.07 -0.00 -0.01 -0.04 0.89 0.91 2nw9A1 TRP 236 H 0.33 0.48 -0.19 -0.55 7.97 8.04 2nw9A1 TRP 236 HA 0.19 0.01 0.45 -0.75 4.62 4.52 2nw9A1 TRP 236 HB2 -0.00 0.05 0.13 -0.04 3.23 3.37 2nw9A1 TRP 236 HB3 -0.16 0.19 0.20 -0.04 3.23 3.42 2nw9A1 TRP 236 HD1 0.17 -0.01 -0.50 -0.04 7.22 6.84 2nw9A1 TRP 236 HE1 -0.06 0.03 -0.03 -0.04 10.20 10.11 2nw9A1 TRP 236 HE3 0.01 0.11 -0.20 -0.04 7.59 7.46 2nw9A1 TRP 236 HZ2 -0.04 -0.02 -0.02 -0.04 7.44 7.31 2nw9A1 TRP 236 HZ3 0.09 -0.01 -0.06 -0.04 7.13 7.12 2nw9A1 TRP 236 HH2 -0.46 -0.05 -0.03 -0.04 7.19 6.60 2nw9A1 ARG 237 H 0.38 0.56 -0.12 -0.55 8.46 8.73 2nw9A1 ARG 237 HA 0.02 -0.04 0.40 -0.75 4.34 3.97 2nw9A1 ARG 237 HB2 0.26 0.16 0.17 -0.04 1.90 2.45 2nw9A1 ARG 237 HB3 0.16 -0.03 -0.05 -0.04 1.80 1.83 2nw9A1 ARG 237 HG2 0.62 -0.09 0.00 -0.04 1.67 2.15 2nw9A1 ARG 237 HG3 0.71 0.09 0.01 -0.04 1.67 2.43 2nw9A1 ARG 237 HD2 0.32 0.04 -0.09 -0.04 3.22 3.46 2nw9A1 ARG 237 HD3 0.23 -0.05 -0.27 -0.04 3.22 3.10 2nw9A1 PHE 238 H 0.13 0.55 -0.21 -0.55 8.34 8.26 2nw9A1 PHE 238 HA -0.18 0.02 0.50 -0.75 4.62 4.21 2nw9A1 PHE 238 HB2 -0.06 0.08 0.13 -0.04 3.15 3.26 2nw9A1 PHE 238 HB3 -0.09 0.08 0.18 -0.04 3.06 3.19 2nw9A1 PHE 238 HD2 -0.10 0.03 -0.06 -0.04 7.28 7.12 2nw9A1 PHE 238 HE2 -0.07 -0.00 -0.03 -0.04 7.38 7.23 2nw9A1 PHE 238 HZ -0.06 -0.01 -0.02 -0.04 7.32 7.19 2nw9A1 ARG 239 H -0.20 0.70 0.01 -0.55 8.46 8.42 2nw9A1 ARG 239 HA -0.45 -0.00 0.45 -0.75 4.34 3.58 2nw9A1 ARG 239 HB2 -0.62 0.11 0.19 -0.04 1.90 1.54 2nw9A1 ARG 239 HB3 -0.46 -0.06 0.07 -0.04 1.80 1.31 2nw9A1 ARG 239 HG2 0.02 -0.09 0.04 -0.04 1.67 1.60 2nw9A1 ARG 239 HG3 0.04 0.19 0.09 -0.04 1.67 1.94 2nw9A1 ARG 239 HD2 0.10 -0.06 -0.02 -0.04 3.22 3.19 2nw9A1 ARG 239 HD3 0.20 0.25 0.04 -0.04 3.22 3.66 2nw9A1 HIS 240 H -1.11 0.59 -0.24 -0.55 8.41 7.10 2nw9A1 HIS 240 HA -2.90 -0.01 0.41 -0.75 4.63 1.38 2nw9A1 HIS 240 HB2 -1.84 0.10 0.12 -0.04 3.26 1.60 2nw9A1 HIS 240 HB3 -0.92 0.19 0.21 -0.04 3.20 2.64 2nw9A1 HIS 240 HD2 -0.24 0.04 0.00 -0.04 6.97 6.73 2nw9A1 HIS 240 HE1 -0.02 -0.07 -0.03 -0.04 7.75 7.59 2nw9A1 MET 241 H -0.63 0.65 -0.09 -0.55 8.47 7.85 2nw9A1 MET 241 HA -0.58 -0.08 0.38 -0.75 4.52 3.48 2nw9A1 MET 241 HB2 -0.36 0.10 0.08 -0.04 2.15 1.93 2nw9A1 MET 241 HB3 -0.51 0.14 0.17 -0.04 2.03 1.79 2nw9A1 MET 241 HG2 -0.30 -0.13 0.03 -0.04 2.63 2.19 2nw9A1 MET 241 HG3 -0.21 0.01 -0.17 -0.04 2.56 2.14 2nw9A1 MET 241 HE3 -0.34 0.02 -0.02 -0.04 2.10 1.71 2nw9A1 ARG 242 H -0.71 0.68 -0.12 -0.55 8.46 7.76 2nw9A1 ARG 242 HA -0.42 -0.02 0.43 -0.75 4.34 3.58 2nw9A1 ARG 242 HB2 -0.50 0.09 0.12 -0.04 1.90 1.57 2nw9A1 ARG 242 HB3 -0.33 -0.05 0.04 -0.04 1.80 1.42 2nw9A1 ARG 242 HG2 -1.45 0.25 0.07 -0.04 1.67 0.50 2nw9A1 ARG 242 HG3 -0.73 -0.04 -0.01 -0.04 1.67 0.85 2nw9A1 ARG 242 HD2 -0.52 -0.05 -0.05 -0.04 3.22 2.56 2nw9A1 ARG 242 HD3 -0.51 -0.01 -0.01 -0.04 3.22 2.65 2nw9A1 THR 243 H -0.57 0.62 -0.21 -0.55 8.28 7.57 2nw9A1 THR 243 HA -0.18 0.04 0.49 -0.75 4.39 3.98 2nw9A1 THR 243 HB -0.47 0.08 0.18 -0.04 4.32 4.08 2nw9A1 THR 243 HG23 0.12 -0.03 -0.12 -0.04 1.22 1.15 2nw9A1 VAL 244 H -0.41 0.63 -0.03 -0.55 8.24 7.89 2nw9A1 VAL 244 HA -0.18 -0.02 0.41 -0.75 4.13 3.59 2nw9A1 VAL 244 HB -0.36 0.15 0.16 -0.04 2.12 2.03 2nw9A1 VAL 244 HG13 -0.18 -0.03 -0.09 -0.04 0.97 0.63 2nw9A1 VAL 244 HG23 -0.31 0.07 0.03 -0.04 0.95 0.70 2nw9A1 MET 245 H -0.33 0.57 -0.18 -0.55 8.47 7.99 2nw9A1 MET 245 HA -0.38 0.06 0.46 -0.75 4.52 3.91 2nw9A1 MET 245 HB2 -0.35 0.05 0.13 -0.04 2.15 1.94 2nw9A1 MET 245 HB3 -0.28 0.16 0.14 -0.04 2.03 2.01 2nw9A1 MET 245 HG2 -0.33 -0.01 -0.08 -0.04 2.63 2.18 2nw9A1 MET 245 HG3 -0.70 -0.06 0.02 -0.04 2.56 1.77 2nw9A1 MET 245 HE3 -0.19 -0.01 -0.05 -0.04 2.10 1.81 2nw9A1 ARG 246 H -0.20 0.46 -0.21 -0.55 8.46 7.96 2nw9A1 ARG 246 HA -0.12 0.05 0.61 -0.75 4.34 4.13 2nw9A1 ARG 246 HB2 -0.07 -0.06 0.17 -0.04 1.90 1.90 2nw9A1 ARG 246 HB3 -0.11 -0.02 0.13 -0.04 1.80 1.76 2nw9A1 ARG 246 HG2 -0.13 0.11 0.24 -0.04 1.67 1.85 2nw9A1 ARG 246 HG3 -0.08 0.05 -0.11 -0.04 1.67 1.50 2nw9A1 ARG 246 HD2 -0.07 -0.05 0.03 -0.04 3.22 3.09 2nw9A1 ARG 246 HD3 -0.04 -0.05 0.06 -0.04 3.22 3.14 2nw9A1 VAL 247 H -0.15 0.28 -0.33 -0.55 8.24 7.48 2nw9A1 VAL 247 HA -0.08 0.15 0.88 -0.75 4.13 4.33 2nw9A1 VAL 247 HB -0.19 -0.03 0.16 -0.04 2.12 2.02 2nw9A1 VAL 247 HG13 -0.44 -0.04 -0.16 -0.04 0.97 0.28 2nw9A1 VAL 247 HG23 -0.11 0.10 -0.02 -0.04 0.95 0.88 2nw9A1 ILE 248 H -0.13 0.62 0.24 -0.55 8.25 8.43 2nw9A1 ILE 248 HA 0.00 0.20 1.00 -0.75 4.18 4.63 2nw9A1 ILE 248 HB 0.00 -0.06 0.08 -0.04 1.89 1.87 2nw9A1 ILE 248 HG12 -0.10 0.07 0.11 -0.04 1.49 1.53 2nw9A1 ILE 248 HG13 -0.11 0.17 -0.26 -0.04 1.21 0.97 2nw9A1 ILE 248 HG23 0.12 -0.02 -0.09 -0.04 0.93 0.90 2nw9A1 ILE 248 HD13 -0.03 -0.03 -0.11 -0.04 0.88 0.67 2nw9A1 GLY 249 H -0.18 0.27 0.03 -0.55 8.43 8.01 2nw9A1 GLY 249 HA2 -0.37 0.26 0.48 -0.51 4.01 3.87 2nw9A1 GLY 249 HA3 -0.13 -0.03 0.48 -0.51 4.01 3.82 2nw9A1 PHE 250 H 0.11 0.14 0.20 -0.55 8.34 8.24 2nw9A1 PHE 250 HA -0.03 0.12 0.93 -0.75 4.62 4.88 2nw9A1 PHE 250 HB2 -0.02 0.01 0.14 -0.04 3.15 3.25 2nw9A1 PHE 250 HB3 -0.02 -0.01 0.22 -0.04 3.06 3.20 2nw9A1 PHE 250 HD2 -0.03 -0.02 0.03 -0.04 7.28 7.22 2nw9A1 PHE 250 HE2 -0.04 0.01 -0.03 -0.04 7.38 7.28 2nw9A1 PHE 250 HZ -0.04 0.02 -0.03 -0.04 7.32 7.23 2nw9A1 LYS 251 H -0.00 0.34 -0.33 -0.55 8.42 7.88 2nw9A1 LYS 251 HA 0.04 0.01 0.51 -0.75 4.32 4.12 2nw9A1 LYS 251 HB2 -0.00 -0.01 0.01 -0.04 1.87 1.83 2nw9A1 LYS 251 HB3 0.00 0.03 0.06 -0.04 1.79 1.84 2nw9A1 LYS 251 HG2 0.02 -0.07 0.06 -0.04 1.46 1.43 2nw9A1 LYS 251 HG3 0.01 0.18 0.15 -0.04 1.46 1.77 2nw9A1 LYS 251 HD2 0.00 -0.00 0.09 -0.04 1.69 1.74 2nw9A1 LYS 251 HD3 -0.01 -0.03 0.04 -0.04 1.68 1.64 2nw9A1 LYS 251 HE2 -0.00 -0.04 0.03 -0.04 2.99 2.93 2nw9A1 LYS 251 HE3 0.00 0.02 0.03 -0.04 2.99 3.00 2nw9A1 ARG 252 H 0.02 0.05 0.14 -0.55 8.46 8.12 2nw9A1 ARG 252 HA 0.02 0.07 0.35 -0.75 4.34 4.02 2nw9A1 ARG 252 HB2 0.00 -0.04 0.06 -0.04 1.90 1.88 2nw9A1 ARG 252 HB3 0.01 0.12 0.01 -0.04 1.80 1.89 2nw9A1 ARG 252 HG2 0.03 -0.02 0.03 -0.04 1.67 1.67 2nw9A1 ARG 252 HG3 0.02 -0.03 0.07 -0.04 1.67 1.69 2nw9A1 ARG 252 HD2 0.02 -0.03 -0.01 -0.04 3.22 3.15 2nw9A1 ARG 252 HD3 0.01 -0.00 -0.02 -0.04 3.22 3.17 2nw9A1 GLY 253 H -0.02 0.37 0.05 -0.55 8.43 8.29 2nw9A1 GLY 253 HA2 -0.02 0.17 0.49 -0.51 4.01 4.15 2nw9A1 GLY 253 HA3 -0.05 -0.15 0.31 -0.51 4.01 3.61 2nw9A1 THR 254 H -0.00 0.16 0.16 -0.55 8.28 8.04 2nw9A1 THR 254 HA -0.01 0.12 0.40 -0.75 4.39 4.15 2nw9A1 THR 254 HB -0.00 0.26 0.07 -0.04 4.32 4.61 2nw9A1 THR 254 HG23 -0.01 -0.03 0.05 -0.04 1.22 1.19 2nw9A1 GLY 255 H -0.05 -0.14 -0.35 -0.55 8.43 7.35 2nw9A1 GLY 255 HA2 0.05 0.36 0.49 -0.51 4.01 4.40 2nw9A1 GLY 255 HA3 0.01 -0.17 0.23 -0.51 4.01 3.57 2nw9A1 GLY 256 H -0.00 0.43 -0.44 -0.55 8.43 7.86 2nw9A1 GLY 256 HA2 0.01 0.09 0.24 -0.51 4.01 3.83 2nw9A1 GLY 256 HA3 0.02 0.18 0.68 -0.51 4.01 4.38 2nw9A1 SER 257 H -0.04 -0.08 -0.11 -0.55 8.46 7.68 2nw9A1 SER 257 HA -0.02 0.28 0.73 -0.75 4.49 4.73 2nw9A1 SER 257 HB2 -0.29 -0.00 0.14 -0.04 3.95 3.76 2nw9A1 SER 257 HB3 -0.29 0.11 -0.01 -0.04 3.93 3.70 2nw9A1 SER 258 H 0.09 0.17 0.14 -0.55 8.46 8.32 2nw9A1 SER 258 HA 0.05 0.20 0.46 -0.75 4.49 4.45 2nw9A1 SER 258 HB2 0.08 0.08 0.11 -0.04 3.95 4.17 2nw9A1 SER 258 HB3 0.08 0.09 0.09 -0.04 3.93 4.16 2nw9A1 GLY 259 H 0.03 -0.03 -0.42 -0.55 8.43 7.46 2nw9A1 GLY 259 HA2 -0.03 -0.01 0.24 -0.51 4.01 3.70 2nw9A1 GLY 259 HA3 -0.01 0.43 0.62 -0.51 4.01 4.54 2nw9A1 VAL 260 H -0.06 0.43 0.16 -0.55 8.24 8.22 2nw9A1 VAL 260 HA -0.14 0.05 0.37 -0.75 4.13 3.65 2nw9A1 VAL 260 HB -0.09 0.02 0.11 -0.04 2.12 2.12 2nw9A1 VAL 260 HG13 -0.13 0.00 -0.15 -0.04 0.97 0.65 2nw9A1 VAL 260 HG23 -0.35 0.04 0.04 -0.04 0.95 0.65 2nw9A1 GLY 261 H 0.09 0.26 -0.31 -0.55 8.43 7.92 2nw9A1 GLY 261 HA2 0.06 0.11 0.33 -0.51 4.01 4.00 2nw9A1 GLY 261 HA3 0.09 0.08 0.20 -0.51 4.01 3.87 2nw9A1 PHE 262 H 0.20 0.09 -0.45 -0.55 8.34 7.63 2nw9A1 PHE 262 HA 0.04 0.10 0.44 -0.75 4.62 4.45 2nw9A1 PHE 262 HB2 0.07 -0.15 0.10 -0.04 3.15 3.13 2nw9A1 PHE 262 HB3 0.02 0.11 0.10 -0.04 3.06 3.25 2nw9A1 PHE 262 HD2 0.08 0.02 -0.12 -0.04 7.28 7.22 2nw9A1 PHE 262 HE2 0.23 0.03 -0.06 -0.04 7.38 7.54 2nw9A1 PHE 262 HZ 0.38 0.05 -0.04 -0.04 7.32 7.66 2nw9A1 LEU 263 H 0.08 0.45 -0.13 -0.55 8.37 8.22 2nw9A1 LEU 263 HA -0.05 0.04 0.49 -0.75 4.35 4.07 2nw9A1 LEU 263 HB2 -0.18 0.09 0.11 -0.04 1.64 1.62 2nw9A1 LEU 263 HB3 -0.27 0.02 0.06 -0.04 1.64 1.42 2nw9A1 LEU 263 HG 0.01 0.05 -0.04 -0.04 1.64 1.62 2nw9A1 LEU 263 HD13 -0.57 -0.01 -0.11 -0.04 0.93 0.19 2nw9A1 LEU 263 HD23 0.04 -0.01 -0.04 -0.04 0.89 0.84 2nw9A1 GLN 264 H -0.05 0.46 -0.28 -0.55 8.47 8.06 2nw9A1 GLN 264 HA -0.05 0.07 0.52 -0.75 4.36 4.14 2nw9A1 GLN 264 HB2 -0.01 0.11 0.15 -0.04 2.15 2.36 2nw9A1 GLN 264 HB3 -0.01 -0.03 -0.01 -0.04 2.02 1.93 2nw9A1 GLN 264 HG2 -0.03 -0.01 0.01 -0.04 2.40 2.32 2nw9A1 GLN 264 HG3 -0.08 0.03 -0.03 -0.04 2.39 2.28 2nw9A1 GLN 264 HE21 0.08 -0.02 -0.06 -0.04 6.97 6.93 2nw9A1 GLN 264 HE22 -0.03 0.01 -0.06 -0.04 7.69 7.57 2nw9A1 GLN 265 H -0.11 0.30 -0.27 -0.55 8.47 7.84 2nw9A1 GLN 265 HA -0.07 0.08 0.47 -0.75 4.36 4.08 2nw9A1 GLN 265 HB2 -0.26 0.14 0.14 -0.04 2.15 2.13 2nw9A1 GLN 265 HB3 -0.12 -0.04 0.04 -0.04 2.02 1.86 2nw9A1 GLN 265 HG2 -0.03 -0.02 0.02 -0.04 2.40 2.32 2nw9A1 GLN 265 HG3 -0.04 0.24 0.10 -0.04 2.39 2.65 2nw9A1 GLN 265 HE21 0.05 -0.04 -0.04 -0.04 6.97 6.91 2nw9A1 GLN 265 HE22 0.02 0.01 -0.04 -0.04 7.69 7.64 2nw9A1 ALA 266 H -0.18 0.27 -0.33 -0.55 8.40 7.61 2nw9A1 ALA 266 HA -0.09 0.02 0.40 -0.75 4.34 3.92 2nw9A1 ALA 266 HB3 -0.00 0.05 0.09 -0.04 1.41 1.51 2nw9A1 LEU 267 H -0.04 0.27 -0.53 -0.55 8.37 7.53 2nw9A1 LEU 267 HA 0.02 0.04 0.43 -0.75 4.35 4.09 2nw9A1 LEU 267 HB2 0.00 0.26 0.08 -0.04 1.64 1.94 2nw9A1 LEU 267 HB3 0.02 -0.05 0.07 -0.04 1.64 1.64 2nw9A1 LEU 267 HG 0.02 0.09 0.00 -0.04 1.64 1.71 2nw9A1 LEU 267 HD13 0.11 -0.02 0.03 -0.04 0.93 1.00 2nw9A1 LEU 267 HD23 0.13 -0.03 -0.06 -0.04 0.89 0.89 2nw9A1 ALA 268 H -0.06 0.38 -0.59 -0.55 8.40 7.58 2nw9A1 ALA 268 HA -0.08 0.07 0.58 -0.75 4.34 4.16 2nw9A1 ALA 268 HB3 -0.06 0.02 0.08 -0.04 1.41 1.41 2nw9A1 LEU 269 H -0.10 0.30 -0.29 -0.55 8.37 7.73 2nw9A1 LEU 269 HA -0.14 0.00 0.47 -0.75 4.35 3.93 2nw9A1 LEU 269 HB2 -0.20 0.16 0.09 -0.04 1.64 1.65 2nw9A1 LEU 269 HB3 -0.26 -0.05 -0.00 -0.04 1.64 1.29 2nw9A1 LEU 269 HG -0.09 0.04 0.08 -0.04 1.64 1.64 2nw9A1 LEU 269 HD13 -0.01 -0.01 0.02 -0.04 0.93 0.89 2nw9A1 LEU 269 HD23 -0.06 -0.01 -0.02 -0.04 0.89 0.76 2nw9A1 THR 270 H -0.22 0.21 0.17 -0.55 8.28 7.90 2nw9A1 THR 270 HA -0.41 0.18 0.84 -0.75 4.39 4.25 2nw9A1 THR 270 HB -0.20 0.16 -0.15 -0.04 4.32 4.09 2nw9A1 THR 270 HG23 -0.06 0.00 -0.00 -0.04 1.22 1.12 2nw9A1 PHE 271 H -0.43 0.11 0.09 -0.55 8.34 7.55 2nw9A1 PHE 271 HA -0.27 0.21 0.67 -0.75 4.62 4.47 2nw9A1 PHE 271 HB2 -1.54 -0.09 0.14 -0.04 3.15 1.61 2nw9A1 PHE 271 HB3 -1.23 0.12 0.04 -0.04 3.06 1.95 2nw9A1 PHE 271 HD2 -0.38 -0.00 -0.07 -0.04 7.28 6.79 2nw9A1 PHE 271 HE2 -0.59 0.01 -0.02 -0.04 7.38 6.74 2nw9A1 PHE 271 HZ -1.07 0.00 -0.05 -0.04 7.32 6.16 2nw9A1 PHE 272 H -0.30 0.07 -0.02 -0.55 8.34 7.54 2nw9A1 PHE 272 HA -0.70 0.25 0.85 -0.75 4.62 4.26 2nw9A1 PHE 272 HB2 -0.17 -0.02 0.17 -0.04 3.15 3.08 2nw9A1 PHE 272 HB3 -0.86 -0.00 0.09 -0.04 3.06 2.25 2nw9A1 PHE 272 HD2 -0.42 0.09 -0.19 -0.04 7.28 6.71 2nw9A1 PHE 272 HE2 -0.08 0.13 0.08 -0.04 7.38 7.48 2nw9A1 PHE 272 HZ -0.22 0.02 0.02 -0.04 7.32 7.09 2nw9A1 PRO 273 HA 0.19 0.09 0.35 -0.51 4.44 4.56 2nw9A1 PRO 273 HB2 0.14 0.01 -0.05 -0.04 2.28 2.34 2nw9A1 PRO 273 HB3 0.08 0.13 0.02 -0.04 2.02 2.20 2nw9A1 PRO 273 HG2 0.36 -0.13 -0.01 -0.04 2.03 2.21 2nw9A1 PRO 273 HG3 0.23 0.13 -0.08 -0.04 2.03 2.27 2nw9A1 PRO 273 HD2 0.24 0.28 -0.07 -0.04 3.68 4.08 2nw9A1 PRO 273 HD3 0.10 0.25 -0.50 -0.04 3.65 3.46 2nw9A1 GLU 274 H 0.31 0.18 -0.21 -0.55 8.60 8.34 2nw9A1 GLU 274 HA 0.20 0.06 0.38 -0.75 4.29 4.17 2nw9A1 GLU 274 HB2 0.46 0.04 -0.02 -0.04 2.09 2.54 2nw9A1 GLU 274 HB3 0.48 0.04 -0.06 -0.04 1.99 2.41 2nw9A1 GLU 274 HG2 0.39 0.10 0.04 -0.04 2.34 2.82 2nw9A1 GLU 274 HG3 0.29 -0.01 -0.03 -0.04 2.34 2.55 2nw9A1 LEU 275 H 0.00 0.27 -0.30 -0.55 8.37 7.79 2nw9A1 LEU 275 HA -0.40 0.07 0.42 -0.75 4.35 3.69 2nw9A1 LEU 275 HB2 -0.22 0.15 0.08 -0.04 1.64 1.61 2nw9A1 LEU 275 HB3 -0.35 0.03 0.03 -0.04 1.64 1.30 2nw9A1 LEU 275 HG -0.17 -0.09 0.01 -0.04 1.64 1.35 2nw9A1 LEU 275 HD13 -0.26 0.03 0.03 -0.04 0.93 0.69 2nw9A1 LEU 275 HD23 -0.72 -0.00 -0.04 -0.04 0.89 0.09 2nw9A1 PHE 276 H 0.18 0.25 -0.24 -0.55 8.34 7.98 2nw9A1 PHE 276 HA -0.04 0.15 0.69 -0.75 4.62 4.67 2nw9A1 PHE 276 HB2 -0.01 0.05 0.10 -0.04 3.15 3.25 2nw9A1 PHE 276 HB3 -0.01 0.02 0.00 -0.04 3.06 3.03 2nw9A1 PHE 276 HD2 -0.01 0.05 -0.04 -0.04 7.28 7.24 2nw9A1 PHE 276 HE2 0.03 -0.04 -0.03 -0.04 7.38 7.30 2nw9A1 PHE 276 HZ 0.05 0.04 0.01 -0.04 7.32 7.38 2nw9A1 ASP 277 H 0.14 0.53 0.04 -0.55 8.40 8.57 2nw9A1 ASP 277 HA 0.08 0.08 0.41 -0.75 4.63 4.44 2nw9A1 ASP 277 HB2 0.12 -0.01 0.07 -0.04 2.71 2.85 2nw9A1 ASP 277 HB3 0.08 -0.02 0.01 -0.04 2.70 2.73 2nw9A1 VAL 278 H 0.03 0.45 -0.30 -0.55 8.24 7.87 2nw9A1 VAL 278 HA 0.07 -0.00 0.31 -0.75 4.13 3.75 2nw9A1 VAL 278 HB 0.13 0.10 0.08 -0.04 2.12 2.39 2nw9A1 VAL 278 HG13 -0.18 0.05 -0.17 -0.04 0.97 0.63 2nw9A1 VAL 278 HG23 0.15 -0.03 -0.15 -0.04 0.95 0.88 2nw9A1 ARG 279 H -0.06 0.32 -0.57 -0.55 8.46 7.60 2nw9A1 ARG 279 HA -0.13 0.01 0.34 -0.75 4.34 3.81 2nw9A1 ARG 279 HB2 -0.01 0.35 0.13 -0.04 1.90 2.33 2nw9A1 ARG 279 HB3 -0.02 -0.01 -0.08 -0.04 1.80 1.65 2nw9A1 ARG 279 HG2 -0.03 -0.03 0.04 -0.04 1.67 1.61 2nw9A1 ARG 279 HG3 -0.11 -0.03 0.05 -0.04 1.67 1.53 2nw9A1 ARG 279 HD2 -0.29 -0.08 0.02 -0.04 3.22 2.82 2nw9A1 ARG 279 HD3 -0.15 0.06 0.19 -0.04 3.22 3.28 2nw9A1 THR 280 H 0.01 0.38 -0.29 -0.55 8.28 7.84 2nw9A1 THR 280 HA 0.01 0.06 0.37 -0.75 4.39 4.08 2nw9A1 THR 280 HB 0.03 0.05 0.04 -0.04 4.32 4.40 2nw9A1 THR 280 HG23 0.02 -0.02 0.01 -0.04 1.22 1.19 2nw9A1 SER 281 H 0.02 0.32 -0.32 -0.55 8.46 7.93 2nw9A1 SER 281 HA 0.02 0.22 0.90 -0.75 4.49 4.89 2nw9A1 SER 281 HB2 0.04 -0.08 0.07 -0.04 3.95 3.93 2nw9A1 SER 281 HB3 0.04 -0.02 -0.07 -0.04 3.93 3.84 2nw9A1 VAL 282 H -0.00 0.31 -0.12 -0.55 8.24 7.87 2nw9A1 VAL 282 HA 0.04 -0.07 0.41 -0.75 4.13 3.76 2nw9A1 VAL 282 HB -0.04 0.13 0.11 -0.04 2.12 2.28 2nw9A1 VAL 282 HG13 0.03 -0.01 -0.18 -0.04 0.97 0.77 2nw9A1 VAL 282 HG23 -0.10 0.09 -0.08 -0.04 0.95 0.82 2nw9A1 GLY 283 H 0.04 0.07 0.17 -0.55 8.43 8.17 2nw9A1 GLY 283 HA2 0.03 -0.02 0.32 -0.51 4.01 3.84 2nw9A1 GLY 283 HA3 0.03 0.06 0.39 -0.51 4.01 3.98 2nw9A1 VAL 284 H 0.03 0.16 -0.18 -0.55 8.24 7.70 2nw9A1 VAL 284 HA 0.02 0.22 0.72 -0.75 4.13 4.34 2nw9A1 VAL 284 HB 0.02 0.06 0.02 -0.04 2.12 2.19 2nw9A1 VAL 284 HG13 0.02 -0.02 0.03 -0.04 0.97 0.95 2nw9A1 VAL 284 HG23 0.02 0.08 -0.41 -0.04 0.95 0.60