============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. HIS 13 0.900 47.700 27.108 31.242 -99.200 -91.000 TRP 15 1.040 41.698 22.421 30.399 -99.200 -91.000 TRP6 15 1.020 41.137 21.311 32.410 -99.200 -91.000 TYR 16 0.840 43.744 13.217 26.106 -99.200 -91.000 PHE 17 1.000 37.981 19.010 26.627 -99.200 -91.000 TYR 19 0.840 35.612 15.054 21.353 -99.200 -91.000 TYR 20 0.840 34.549 8.197 26.918 -99.200 -91.000 PHE 28 1.000 36.794 17.838 31.991 -99.200 -91.000 TYR 36 0.840 57.546 11.915 21.174 -99.200 -91.000 PHE 48 1.000 47.877 14.167 28.708 -99.200 -91.000 PHE 57 1.000 51.096 5.479 24.210 -99.200 -91.000 PHE 71 1.000 46.737 -0.932 39.554 -99.200 -91.000 TYR 73 0.840 44.465 -3.248 28.719 -99.200 -91.000 HIS 74 0.900 49.284 -2.604 30.563 -99.200 -91.000 HIS 79 0.900 49.811 -11.381 35.972 -99.200 -91.000 PHE 83 1.000 49.174 -16.490 38.157 -99.200 -91.000 HIS 85 0.900 50.407 -23.270 28.765 -99.200 -91.000 HIS 108 0.900 52.712 -15.607 35.193 -99.200 -91.000 TYR 130 0.840 59.887 11.026 25.752 -99.200 -91.000 PHE 138 1.000 59.527 -1.777 25.312 -99.200 -91.000 TYR 153 0.840 56.124 -12.198 14.394 -99.200 -91.000 PHE 157 1.000 56.360 -17.262 14.430 -99.200 -91.000 PHE 161 1.000 54.467 -17.767 19.231 -99.200 -91.000 HIS 178 0.900 43.968 -4.556 8.451 -99.200 -91.000 PHE 180 1.000 39.568 -6.212 17.671 -99.200 -91.000 PHE 184 1.000 45.098 -11.699 14.925 -99.200 -91.000 TYR 185 0.840 39.834 -12.929 16.889 -99.200 -91.000 TYR 189 0.840 42.517 -24.065 17.040 -99.200 -91.000 PHE 198 1.000 43.094 -15.135 21.439 -99.200 -91.000 PHE 206 1.000 27.315 2.803 28.927 -99.200 -91.000 TYR 207 0.840 30.312 5.559 26.402 -99.200 -91.000 TRP 211 1.040 35.985 -3.562 18.438 -99.200 -91.000 TRP6 211 1.020 37.208 -1.565 18.751 -99.200 -91.000 PHE 212 1.000 31.248 -7.823 25.116 -99.200 -91.000 TYR 216 0.840 31.130 -14.785 23.210 -99.200 -91.000 PHE 223 1.000 41.347 -19.764 19.995 -99.200 -91.000 TYR 229 0.840 39.607 -12.182 31.278 -99.200 -91.000 PHE 232 1.000 35.262 -2.703 38.991 -99.200 -91.000 TYR 236 0.840 41.968 1.424 28.591 -99.200 -91.000 TRP 241 1.040 38.932 -2.831 28.082 -99.200 -91.000 TRP6 241 1.020 38.133 -0.865 27.046 -99.200 -91.000 TYR 243 0.840 40.467 -7.280 30.349 -99.200 -91.000 PHE 245 1.000 41.203 -18.942 28.951 -99.200 -91.000 PHE 256 1.000 42.320 -19.330 39.553 -99.200 -91.000 PHE 264 1.000 53.172 -14.401 39.923 -99.200 -91.000 TYR 270 0.840 41.728 -5.386 38.958 -99.200 -91.000 TYR 271 0.840 45.017 -12.994 38.452 -99.200 -91.000 HIS 276 0.900 41.381 -16.858 36.917 -99.200 -91.000 PHE 280 1.000 36.907 -15.990 33.376 -99.200 -91.000 PHE 285 1.000 25.371 -4.263 30.979 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1inlC1 LEU 4 HA 0.01 0.02 0.20 -0.75 4.35 3.83 1inlC1 LEU 4 HB2 0.01 -0.08 0.11 -0.04 1.64 1.64 1inlC1 LEU 4 HB3 0.01 0.04 -0.06 -0.04 1.64 1.59 1inlC1 LEU 4 HG 0.01 0.00 0.04 -0.04 1.64 1.65 1inlC1 LEU 4 HD13 0.01 0.01 0.01 -0.04 0.93 0.92 1inlC1 LEU 4 HD23 0.01 0.01 0.01 -0.04 0.89 0.87 1inlC1 LYS 5 H 0.01 0.18 0.11 -0.55 8.42 8.16 1inlC1 LYS 5 HA 0.01 0.06 0.38 -0.75 4.32 4.02 1inlC1 LYS 5 HB2 0.01 -0.01 0.17 -0.04 1.87 2.00 1inlC1 LYS 5 HB3 0.01 0.02 0.05 -0.04 1.79 1.82 1inlC1 LYS 5 HG2 0.01 -0.01 0.06 -0.04 1.46 1.49 1inlC1 LYS 5 HG3 0.01 -0.00 0.03 -0.04 1.46 1.45 1inlC1 LYS 5 HD2 0.01 -0.00 -0.11 -0.04 1.69 1.55 1inlC1 LYS 5 HD3 0.01 0.05 0.00 -0.04 1.68 1.70 1inlC1 LYS 5 HE2 0.01 -0.01 -0.00 -0.04 2.99 2.95 1inlC1 LYS 5 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.93 1inlC1 GLU 6 H 0.01 0.11 -0.18 -0.55 8.60 7.99 1inlC1 GLU 6 HA 0.00 0.10 0.42 -0.75 4.29 4.07 1inlC1 GLU 6 HB2 0.00 0.02 0.03 -0.04 2.09 2.11 1inlC1 GLU 6 HB3 0.00 -0.03 0.07 -0.04 1.99 1.99 1inlC1 GLU 6 HG2 0.00 -0.03 -0.01 -0.04 2.34 2.27 1inlC1 GLU 6 HG3 0.00 0.06 -0.15 -0.04 2.34 2.21 1inlC1 LEU 7 H 0.01 0.23 -0.39 -0.55 8.37 7.67 1inlC1 LEU 7 HA 0.00 0.13 0.72 -0.75 4.35 4.45 1inlC1 LEU 7 HB2 0.01 0.08 0.04 -0.04 1.64 1.72 1inlC1 LEU 7 HB3 0.00 -0.05 0.08 -0.04 1.64 1.64 1inlC1 LEU 7 HG 0.00 -0.09 -0.11 -0.04 1.64 1.40 1inlC1 LEU 7 HD13 0.00 -0.00 -0.01 -0.04 0.93 0.88 1inlC1 LEU 7 HD23 0.00 0.01 -0.06 -0.04 0.89 0.80 1inlC1 GLU 8 H 0.01 0.26 -0.17 -0.55 8.60 8.14 1inlC1 GLU 8 HA 0.01 -0.01 0.53 -0.75 4.29 4.06 1inlC1 GLU 8 HB2 0.01 0.09 0.12 -0.04 2.09 2.27 1inlC1 GLU 8 HB3 0.01 0.01 -0.02 -0.04 1.99 1.94 1inlC1 GLU 8 HG2 0.01 -0.04 -0.03 -0.04 2.34 2.24 1inlC1 GLU 8 HG3 0.01 0.26 -0.11 -0.04 2.34 2.46 1inlC1 ARG 9 H 0.01 0.12 0.17 -0.55 8.46 8.20 1inlC1 ARG 9 HA 0.01 0.18 0.78 -0.75 4.34 4.56 1inlC1 ARG 9 HB2 0.00 0.02 -0.01 -0.04 1.90 1.87 1inlC1 ARG 9 HB3 0.00 -0.09 0.13 -0.04 1.80 1.81 1inlC1 ARG 9 HG2 0.00 0.12 -0.19 -0.04 1.67 1.57 1inlC1 ARG 9 HG3 0.00 -0.04 -0.03 -0.04 1.67 1.56 1inlC1 ARG 9 HD2 0.00 -0.08 -0.01 -0.04 3.22 3.08 1inlC1 ARG 9 HD3 0.00 0.23 -0.20 -0.04 3.22 3.21 1inlC1 GLU 10 H 0.01 0.11 0.11 -0.55 8.60 8.28 1inlC1 GLU 10 HA 0.01 0.01 0.42 -0.75 4.29 3.98 1inlC1 GLU 10 HB2 0.01 0.00 0.11 -0.04 2.09 2.17 1inlC1 GLU 10 HB3 0.00 -0.01 0.10 -0.04 1.99 2.04 1inlC1 GLU 10 HG2 0.01 0.14 -0.30 -0.04 2.34 2.14 1inlC1 GLU 10 HG3 0.01 -0.03 0.01 -0.04 2.34 2.29 1inlC1 LEU 11 H 0.01 0.08 0.19 -0.55 8.37 8.10 1inlC1 LEU 11 HA 0.01 0.05 0.51 -0.75 4.35 4.17 1inlC1 LEU 11 HB2 0.01 0.02 0.14 -0.04 1.64 1.77 1inlC1 LEU 11 HB3 0.01 -0.07 0.11 -0.04 1.64 1.66 1inlC1 LEU 11 HG 0.01 0.05 -0.21 -0.04 1.64 1.46 1inlC1 LEU 11 HD13 0.02 -0.01 0.05 -0.04 0.93 0.95 1inlC1 LEU 11 HD23 0.01 -0.01 -0.02 -0.04 0.89 0.83 1inlC1 GLN 12 H 0.01 0.15 0.22 -0.55 8.47 8.30 1inlC1 GLN 12 HA 0.01 0.18 0.87 -0.75 4.36 4.66 1inlC1 GLN 12 HB2 0.00 -0.05 0.10 -0.04 2.15 2.17 1inlC1 GLN 12 HB3 0.01 0.06 0.04 -0.04 2.02 2.09 1inlC1 GLN 12 HG2 0.00 0.16 -0.04 -0.04 2.40 2.48 1inlC1 GLN 12 HG3 0.00 -0.03 0.00 -0.04 2.39 2.32 1inlC1 GLN 12 HE21 0.01 -0.05 -0.11 -0.04 6.97 6.78 1inlC1 GLN 12 HE22 0.00 0.08 -0.15 -0.04 7.69 7.58 1inlC1 PRO 13 HA 0.00 0.06 0.59 -0.51 4.44 4.59 1inlC1 PRO 13 HB2 -0.05 0.08 0.02 -0.04 2.28 2.28 1inlC1 PRO 13 HB3 -0.03 -0.05 0.09 -0.04 2.02 1.98 1inlC1 PRO 13 HG2 -0.00 0.04 0.12 -0.04 2.03 2.14 1inlC1 PRO 13 HG3 -0.01 -0.01 0.09 -0.04 2.03 2.07 1inlC1 PRO 13 HD2 0.00 0.09 0.26 -0.04 3.68 3.99 1inlC1 PRO 13 HD3 0.00 0.17 0.20 -0.04 3.65 3.97 1inlC1 ARG 14 H 0.05 0.09 0.20 -0.55 8.46 8.24 1inlC1 ARG 14 HA 0.03 0.24 0.80 -0.75 4.34 4.66 1inlC1 ARG 14 HB2 0.09 -0.08 0.15 -0.04 1.90 2.01 1inlC1 ARG 14 HB3 -0.02 -0.09 0.22 -0.04 1.80 1.86 1inlC1 ARG 14 HG2 -0.02 0.11 -0.14 -0.04 1.67 1.58 1inlC1 ARG 14 HG3 0.01 0.12 -0.15 -0.04 1.67 1.62 1inlC1 ARG 14 HD2 -0.10 0.05 -0.00 -0.04 3.22 3.13 1inlC1 ARG 14 HD3 -0.36 -0.05 0.03 -0.04 3.22 2.80 1inlC1 GLN 15 H 0.12 0.18 0.14 -0.55 8.47 8.35 1inlC1 GLN 15 HA 0.09 0.25 0.95 -0.75 4.36 4.90 1inlC1 GLN 15 HB2 0.19 0.01 0.11 -0.04 2.15 2.41 1inlC1 GLN 15 HB3 0.40 0.03 0.19 -0.04 2.02 2.60 1inlC1 GLN 15 HG2 0.20 0.02 -0.01 -0.04 2.40 2.57 1inlC1 GLN 15 HG3 0.27 0.04 -0.07 -0.04 2.39 2.59 1inlC1 GLN 15 HE21 0.05 0.06 0.01 -0.04 6.97 7.05 1inlC1 GLN 15 HE22 0.09 0.02 0.02 -0.04 7.69 7.78 1inlC1 HIS 16 H 0.51 0.03 -0.13 -0.55 8.41 8.28 1inlC1 HIS 16 HA 0.24 0.28 0.92 -0.75 4.63 5.32 1inlC1 HIS 16 HB2 0.05 0.04 0.07 -0.04 3.26 3.39 1inlC1 HIS 16 HB3 0.05 -0.02 -0.01 -0.04 3.20 3.19 1inlC1 HIS 16 HD2 -0.00 0.01 -0.04 -0.04 6.97 6.89 1inlC1 HIS 16 HE1 -0.06 0.06 0.06 -0.04 7.75 7.77 1inlC1 LEU 17 H -0.58 0.09 0.01 -0.55 8.37 7.35 1inlC1 LEU 17 HA -0.20 0.20 0.98 -0.75 4.35 4.58 1inlC1 LEU 17 HB2 -0.47 0.19 0.18 -0.04 1.64 1.50 1inlC1 LEU 17 HB3 -0.29 -0.02 -0.02 -0.04 1.64 1.26 1inlC1 LEU 17 HG -1.42 -0.12 -0.10 -0.04 1.64 -0.04 1inlC1 LEU 17 HD13 -0.22 0.03 -0.07 -0.04 0.93 0.63 1inlC1 LEU 17 HD23 -0.23 0.05 -0.11 -0.04 0.89 0.56 1inlC1 TRP 18 H 0.11 0.26 0.15 -0.55 7.97 7.95 1inlC1 TRP 18 HA 0.01 0.23 1.00 -0.75 4.62 5.11 1inlC1 TRP 18 HB2 0.24 0.00 -0.12 -0.04 3.23 3.31 1inlC1 TRP 18 HB3 0.20 0.00 -0.14 -0.04 3.23 3.25 1inlC1 TRP 18 HD1 0.03 0.09 -0.41 -0.04 7.22 6.89 1inlC1 TRP 18 HE1 0.04 0.50 -0.23 -0.04 10.20 10.47 1inlC1 TRP 18 HE3 0.15 -0.03 -0.45 -0.04 7.59 7.22 1inlC1 TRP 18 HZ2 0.05 0.02 -0.01 -0.04 7.44 7.46 1inlC1 TRP 18 HZ3 0.31 -0.05 -0.14 -0.04 7.13 7.20 1inlC1 TRP 18 HH2 0.13 0.00 -0.03 -0.04 7.19 7.25 1inlC1 TYR 19 H 0.30 0.66 0.27 -0.55 8.29 8.97 1inlC1 TYR 19 HA 0.04 0.13 0.80 -0.75 4.56 4.78 1inlC1 TYR 19 HB2 -0.66 0.00 -0.08 -0.04 3.06 2.28 1inlC1 TYR 19 HB3 -0.25 0.05 0.07 -0.04 2.98 2.81 1inlC1 TYR 19 HD2 0.11 -0.01 -0.12 -0.04 7.15 7.08 1inlC1 TYR 19 HE2 0.15 -0.06 -0.20 -0.04 6.85 6.70 1inlC1 PHE 20 H 0.02 0.22 0.10 -0.55 8.34 8.13 1inlC1 PHE 20 HA -0.26 0.24 1.06 -0.75 4.62 4.91 1inlC1 PHE 20 HB2 -0.11 -0.02 0.07 -0.04 3.15 3.05 1inlC1 PHE 20 HB3 -0.38 0.03 -0.11 -0.04 3.06 2.56 1inlC1 PHE 20 HD2 -0.16 -0.04 -0.34 -0.04 7.28 6.70 1inlC1 PHE 20 HE2 -0.28 0.01 -0.15 -0.04 7.38 6.92 1inlC1 PHE 20 HZ -0.72 0.02 -0.10 -0.04 7.32 6.48 1inlC1 GLU 21 H -0.41 0.85 0.32 -0.55 8.60 8.81 1inlC1 GLU 21 HA -0.15 0.26 0.99 -0.75 4.29 4.64 1inlC1 GLU 21 HB2 -0.16 -0.06 -0.04 -0.04 2.09 1.79 1inlC1 GLU 21 HB3 -0.11 -0.06 0.19 -0.04 1.99 1.96 1inlC1 GLU 21 HG2 0.11 0.04 -0.31 -0.04 2.34 2.15 1inlC1 GLU 21 HG3 0.12 0.26 0.21 -0.04 2.34 2.90 1inlC1 TYR 22 H 0.19 0.25 0.20 -0.55 8.29 8.38 1inlC1 TYR 22 HA -0.18 0.13 0.88 -0.75 4.56 4.64 1inlC1 TYR 22 HB2 -0.01 -0.01 0.14 -0.04 3.06 3.14 1inlC1 TYR 22 HB3 -0.03 0.05 0.06 -0.04 2.98 3.02 1inlC1 TYR 22 HD2 -0.04 0.03 -0.05 -0.04 7.15 7.05 1inlC1 TYR 22 HE2 -0.03 0.04 -0.09 -0.04 6.85 6.73 1inlC1 TYR 23 H -0.14 0.62 0.41 -0.55 8.29 8.63 1inlC1 TYR 23 HA -0.04 0.09 0.73 -0.75 4.56 4.59 1inlC1 TYR 23 HB2 -0.43 0.08 0.06 -0.04 3.06 2.74 1inlC1 TYR 23 HB3 -0.51 -0.07 0.14 -0.04 2.98 2.49 1inlC1 TYR 23 HD2 -0.43 0.05 -0.19 -0.04 7.15 6.54 1inlC1 TYR 23 HE2 0.01 0.05 -0.11 -0.04 6.85 6.76 1inlC1 THR 24 H 0.12 0.07 0.17 -0.55 8.28 8.09 1inlC1 THR 24 HA 0.09 0.05 0.46 -0.75 4.39 4.24 1inlC1 THR 24 HB 0.17 -0.01 0.15 -0.04 4.32 4.58 1inlC1 THR 24 HG23 0.10 0.01 -0.00 -0.04 1.22 1.28 1inlC1 GLY 25 H 0.05 0.16 0.21 -0.55 8.43 8.31 1inlC1 GLY 25 HA2 0.04 0.04 0.40 -0.51 4.01 3.98 1inlC1 GLY 25 HA3 0.07 0.17 0.83 -0.51 4.01 4.57 1inlC1 ASN 26 H 0.07 0.60 -0.11 -0.55 8.53 8.55 1inlC1 ASN 26 HA 0.16 0.05 0.31 -0.75 4.76 4.53 1inlC1 ASN 26 HB2 0.00 0.18 -0.04 -0.04 2.88 2.98 1inlC1 ASN 26 HB3 -0.02 -0.01 0.21 -0.04 2.79 2.93 1inlC1 ASN 26 HD21 -0.05 -0.01 -0.04 -0.04 7.03 6.89 1inlC1 ASN 26 HD22 -0.04 0.06 -0.09 -0.04 7.74 7.62 1inlC1 ASN 27 H 0.06 0.04 -0.30 -0.55 8.53 7.78 1inlC1 ASN 27 HA 0.05 0.23 0.81 -0.75 4.76 5.10 1inlC1 ASN 27 HB2 0.07 -0.04 -0.03 -0.04 2.88 2.85 1inlC1 ASN 27 HB3 0.05 -0.01 0.07 -0.04 2.79 2.87 1inlC1 ASN 27 HD21 0.02 -0.00 -0.04 -0.04 7.03 6.97 1inlC1 ASN 27 HD22 0.03 0.01 -0.01 -0.04 7.74 7.73 1inlC1 VAL 28 H -0.01 0.12 0.05 -0.55 8.24 7.85 1inlC1 VAL 28 HA -0.05 0.21 0.74 -0.75 4.13 4.28 1inlC1 VAL 28 HB -0.02 -0.09 -0.01 -0.04 2.12 1.96 1inlC1 VAL 28 HG13 0.11 0.02 0.04 -0.04 0.97 1.10 1inlC1 VAL 28 HG23 0.19 0.01 -0.22 -0.04 0.95 0.90 1inlC1 GLY 29 H -0.30 0.34 0.21 -0.55 8.43 8.13 1inlC1 GLY 29 HA2 -1.71 -0.04 0.50 -0.51 4.01 2.25 1inlC1 GLY 29 HA3 -0.64 0.20 0.49 -0.51 4.01 3.55 1inlC1 LEU 30 H -0.49 0.48 0.32 -0.55 8.37 8.14 1inlC1 LEU 30 HA -0.26 0.18 0.96 -0.75 4.35 4.48 1inlC1 LEU 30 HB2 0.05 -0.04 -0.06 -0.04 1.64 1.54 1inlC1 LEU 30 HB3 -0.02 -0.05 0.06 -0.04 1.64 1.58 1inlC1 LEU 30 HG -0.13 0.11 -0.03 -0.04 1.64 1.55 1inlC1 LEU 30 HD13 -0.05 0.01 0.02 -0.04 0.93 0.87 1inlC1 LEU 30 HD23 0.09 -0.01 -0.08 -0.04 0.89 0.84 1inlC1 PHE 31 H -0.58 0.23 0.21 -0.55 8.34 7.65 1inlC1 PHE 31 HA -0.50 0.35 1.09 -0.75 4.62 4.81 1inlC1 PHE 31 HB2 -1.07 0.03 0.03 -0.04 3.15 2.09 1inlC1 PHE 31 HB3 -1.60 -0.01 -0.05 -0.04 3.06 1.36 1inlC1 PHE 31 HD2 -0.21 -0.01 -0.20 -0.04 7.28 6.82 1inlC1 PHE 31 HE2 -0.14 0.01 -0.03 -0.04 7.38 7.17 1inlC1 PHE 31 HZ -0.14 0.02 -0.01 -0.04 7.32 7.14 1inlC1 MET 32 H 0.25 0.63 0.32 -0.55 8.47 9.13 1inlC1 MET 32 HA 0.24 0.14 0.90 -0.75 4.52 5.04 1inlC1 MET 32 HB2 0.48 -0.05 0.00 -0.04 2.15 2.55 1inlC1 MET 32 HB3 0.31 0.04 -0.00 -0.04 2.03 2.34 1inlC1 MET 32 HG2 0.14 0.06 -0.11 -0.04 2.63 2.69 1inlC1 MET 32 HG3 0.28 -0.04 -0.45 -0.04 2.56 2.31 1inlC1 MET 32 HE3 0.16 -0.00 -0.10 -0.04 2.10 2.11 1inlC1 LYS 33 H 0.15 0.09 0.17 -0.55 8.42 8.29 1inlC1 LYS 33 HA -0.91 0.23 0.63 -0.75 4.32 3.52 1inlC1 LYS 33 HB2 -0.48 0.01 0.13 -0.04 1.87 1.50 1inlC1 LYS 33 HB3 -0.14 -0.12 0.17 -0.04 1.79 1.67 1inlC1 LYS 33 HG2 -0.33 -0.05 -0.19 -0.04 1.46 0.85 1inlC1 LYS 33 HG3 -0.89 0.09 0.12 -0.04 1.46 0.73 1inlC1 LYS 33 HD2 -0.11 -0.11 0.00 -0.04 1.69 1.43 1inlC1 LYS 33 HD3 -0.16 0.13 0.01 -0.04 1.68 1.62 1inlC1 LYS 33 HE2 -0.22 0.05 0.06 -0.04 2.99 2.84 1inlC1 LYS 33 HE3 -0.03 -0.09 0.03 -0.04 2.99 2.85 1inlC1 MET 34 H -0.48 0.61 0.20 -0.55 8.47 8.25 1inlC1 MET 34 HA 0.03 0.28 1.02 -0.75 4.52 5.09 1inlC1 MET 34 HB2 -0.25 -0.03 -0.11 -0.04 2.15 1.72 1inlC1 MET 34 HB3 -0.13 -0.03 -0.16 -0.04 2.03 1.66 1inlC1 MET 34 HG2 -0.83 0.03 -0.34 -0.04 2.63 1.44 1inlC1 MET 34 HG3 -0.33 -0.01 -0.38 -0.04 2.56 1.80 1inlC1 MET 34 HE3 -0.15 0.01 -0.20 -0.04 2.10 1.72 1inlC1 ASN 35 H 0.02 0.68 0.29 -0.55 8.53 8.97 1inlC1 ASN 35 HA -0.06 0.04 0.60 -0.75 4.76 4.59 1inlC1 ASN 35 HB2 -0.01 -0.04 0.02 -0.04 2.88 2.81 1inlC1 ASN 35 HB3 0.01 -0.03 0.01 -0.04 2.79 2.73 1inlC1 ASN 35 HD21 0.01 0.33 -0.10 -0.04 7.03 7.23 1inlC1 ASN 35 HD22 0.01 -0.08 -0.10 -0.04 7.74 7.52 1inlC1 ARG 36 H 0.03 0.20 0.13 -0.55 8.46 8.27 1inlC1 ARG 36 HA -0.02 0.13 0.38 -0.75 4.34 4.08 1inlC1 ARG 36 HB2 0.01 0.06 0.03 -0.04 1.90 1.96 1inlC1 ARG 36 HB3 0.01 0.18 -0.18 -0.04 1.80 1.76 1inlC1 ARG 36 HG2 0.02 -0.04 -0.16 -0.04 1.67 1.45 1inlC1 ARG 36 HG3 0.03 -0.14 -0.26 -0.04 1.67 1.26 1inlC1 ARG 36 HD2 0.02 -0.03 -0.13 -0.04 3.22 3.04 1inlC1 ARG 36 HD3 0.02 0.09 -0.16 -0.04 3.22 3.12 1inlC1 VAL 37 H -0.00 0.26 0.09 -0.55 8.24 8.04 1inlC1 VAL 37 HA 0.10 0.05 0.95 -0.75 4.13 4.47 1inlC1 VAL 37 HB -0.01 0.04 0.12 -0.04 2.12 2.22 1inlC1 VAL 37 HG13 0.01 -0.01 -0.16 -0.04 0.97 0.77 1inlC1 VAL 37 HG23 -0.04 -0.00 -0.09 -0.04 0.95 0.78 1inlC1 ILE 38 H 0.04 0.35 0.36 -0.55 8.25 8.45 1inlC1 ILE 38 HA -0.04 0.11 0.58 -0.75 4.18 4.08 1inlC1 ILE 38 HB -0.08 0.01 -0.03 -0.04 1.89 1.75 1inlC1 ILE 38 HG12 0.01 0.05 -0.09 -0.04 1.49 1.42 1inlC1 ILE 38 HG13 0.01 -0.09 -0.16 -0.04 1.21 0.94 1inlC1 ILE 38 HG23 -0.23 0.01 -0.11 -0.04 0.93 0.55 1inlC1 ILE 38 HD13 -0.00 0.00 -0.17 -0.04 0.88 0.67 1inlC1 TYR 39 H -0.03 0.45 0.24 -0.55 8.29 8.40 1inlC1 TYR 39 HA -0.18 0.15 0.57 -0.75 4.56 4.35 1inlC1 TYR 39 HB2 -1.05 0.18 -0.17 -0.04 3.06 1.98 1inlC1 TYR 39 HB3 -0.46 -0.10 -0.06 -0.04 2.98 2.31 1inlC1 TYR 39 HD2 -0.03 0.00 -0.15 -0.04 7.15 6.93 1inlC1 TYR 39 HE2 0.08 -0.03 -0.10 -0.04 6.85 6.75 1inlC1 SER 40 H -0.63 0.34 0.11 -0.55 8.46 7.74 1inlC1 SER 40 HA -0.23 0.28 0.99 -0.75 4.49 4.77 1inlC1 SER 40 HB2 -0.17 0.01 0.13 -0.04 3.95 3.88 1inlC1 SER 40 HB3 -0.12 0.02 0.06 -0.04 3.93 3.85 1inlC1 GLY 41 H -0.22 0.60 0.35 -0.55 8.43 8.61 1inlC1 GLY 41 HA2 -0.19 0.22 0.84 -0.51 4.01 4.37 1inlC1 GLY 41 HA3 -0.11 0.00 0.30 -0.51 4.01 3.69 1inlC1 GLN 42 H 0.03 0.29 0.18 -0.55 8.47 8.42 1inlC1 GLN 42 HA 0.05 0.12 1.09 -0.75 4.36 4.87 1inlC1 GLN 42 HB2 0.01 -0.01 -0.07 -0.04 2.15 2.04 1inlC1 GLN 42 HB3 0.02 0.01 0.13 -0.04 2.02 2.15 1inlC1 GLN 42 HG2 0.02 -0.00 -0.06 -0.04 2.40 2.32 1inlC1 GLN 42 HG3 0.03 0.27 -0.17 -0.04 2.39 2.48 1inlC1 GLN 42 HE21 0.04 -0.11 -0.21 -0.04 6.97 6.64 1inlC1 GLN 42 HE22 0.04 0.21 -0.20 -0.04 7.69 7.70 1inlC1 SER 43 H 0.07 0.59 0.30 -0.55 8.46 8.88 1inlC1 SER 43 HA 0.06 0.25 0.86 -0.75 4.49 4.91 1inlC1 SER 43 HB2 0.06 -0.04 0.23 -0.04 3.95 4.16 1inlC1 SER 43 HB3 0.09 0.02 0.07 -0.04 3.93 4.07 1inlC1 ASP 44 H 0.04 0.13 0.17 -0.55 8.40 8.19 1inlC1 ASP 44 HA 0.03 0.21 0.50 -0.75 4.63 4.61 1inlC1 ASP 44 HB2 0.03 0.08 0.14 -0.04 2.71 2.92 1inlC1 ASP 44 HB3 0.03 0.04 0.12 -0.04 2.70 2.85 1inlC1 ILE 45 H 0.05 -0.19 -0.36 -0.55 8.25 7.20 1inlC1 ILE 45 HA 0.04 0.31 0.89 -0.75 4.18 4.67 1inlC1 ILE 45 HB 0.06 -0.14 0.05 -0.04 1.89 1.82 1inlC1 ILE 45 HG12 0.04 0.14 -0.10 -0.04 1.49 1.53 1inlC1 ILE 45 HG13 0.04 -0.11 -0.15 -0.04 1.21 0.95 1inlC1 ILE 45 HG23 0.06 -0.00 -0.11 -0.04 0.93 0.83 1inlC1 ILE 45 HD13 0.05 -0.02 -0.11 -0.04 0.88 0.76 1inlC1 GLN 46 H 0.07 -0.00 0.07 -0.55 8.47 8.06 1inlC1 GLN 46 HA 0.05 0.24 0.63 -0.75 4.36 4.53 1inlC1 GLN 46 HB2 0.07 -0.02 0.11 -0.04 2.15 2.27 1inlC1 GLN 46 HB3 0.06 0.12 -0.27 -0.04 2.02 1.90 1inlC1 GLN 46 HG2 0.09 -0.16 -0.09 -0.04 2.40 2.20 1inlC1 GLN 46 HG3 0.12 0.08 -0.30 -0.04 2.39 2.25 1inlC1 GLN 46 HE21 0.11 -0.04 -0.02 -0.04 6.97 6.97 1inlC1 GLN 46 HE22 0.11 -0.07 -0.06 -0.04 7.69 7.63 1inlC1 ARG 47 H 0.06 0.15 0.24 -0.55 8.46 8.36 1inlC1 ARG 47 HA 0.07 0.27 1.11 -0.75 4.34 5.04 1inlC1 ARG 47 HB2 0.04 0.07 0.08 -0.04 1.90 2.05 1inlC1 ARG 47 HB3 0.06 -0.12 0.18 -0.04 1.80 1.88 1inlC1 ARG 47 HG2 0.06 -0.07 -0.33 -0.04 1.67 1.29 1inlC1 ARG 47 HG3 0.03 0.17 0.05 -0.04 1.67 1.88 1inlC1 ARG 47 HD2 0.02 0.04 -0.04 -0.04 3.22 3.20 1inlC1 ARG 47 HD3 0.05 -0.05 -0.05 -0.04 3.22 3.13 1inlC1 ILE 48 H 0.10 0.89 0.44 -0.55 8.25 9.12 1inlC1 ILE 48 HA 0.23 0.23 1.07 -0.75 4.18 4.96 1inlC1 ILE 48 HB 0.29 -0.03 0.09 -0.04 1.89 2.19 1inlC1 ILE 48 HG12 0.35 -0.00 -0.13 -0.04 1.49 1.66 1inlC1 ILE 48 HG13 0.20 -0.07 -0.31 -0.04 1.21 1.00 1inlC1 ILE 48 HG23 0.44 0.01 -0.20 -0.04 0.93 1.14 1inlC1 ILE 48 HD13 0.22 -0.02 -0.26 -0.04 0.88 0.79 1inlC1 ASP 49 H 0.22 0.64 0.37 -0.55 8.40 9.08 1inlC1 ASP 49 HA 0.09 0.31 1.02 -0.75 4.63 5.29 1inlC1 ASP 49 HB2 0.15 -0.11 0.08 -0.04 2.71 2.79 1inlC1 ASP 49 HB3 0.16 0.04 0.01 -0.04 2.70 2.87 1inlC1 ILE 50 H 0.12 0.81 0.37 -0.55 8.25 8.99 1inlC1 ILE 50 HA 0.05 0.38 1.14 -0.75 4.18 5.00 1inlC1 ILE 50 HB 0.01 -0.05 0.15 -0.04 1.89 1.97 1inlC1 ILE 50 HG12 0.18 -0.02 -0.02 -0.04 1.49 1.59 1inlC1 ILE 50 HG13 0.25 -0.12 -0.43 -0.04 1.21 0.87 1inlC1 ILE 50 HG23 -0.02 0.01 -0.10 -0.04 0.93 0.78 1inlC1 ILE 50 HD13 -0.02 0.00 -0.18 -0.04 0.88 0.64 1inlC1 PHE 51 H -0.39 0.57 0.38 -0.55 8.34 8.35 1inlC1 PHE 51 HA -0.04 -0.04 1.00 -0.75 4.62 4.78 1inlC1 PHE 51 HB2 -0.05 0.17 0.20 -0.04 3.15 3.42 1inlC1 PHE 51 HB3 -0.05 -0.04 -0.07 -0.04 3.06 2.86 1inlC1 PHE 51 HD2 -0.10 0.03 -0.32 -0.04 7.28 6.84 1inlC1 PHE 51 HE2 -0.51 0.01 -0.22 -0.04 7.38 6.62 1inlC1 PHE 51 HZ -0.44 -0.01 -0.17 -0.04 7.32 6.65 1inlC1 GLU 52 H 0.18 0.62 0.36 -0.55 8.60 9.22 1inlC1 GLU 52 HA -0.05 0.22 0.87 -0.75 4.29 4.58 1inlC1 GLU 52 HB2 0.01 0.02 -0.05 -0.04 2.09 2.03 1inlC1 GLU 52 HB3 0.04 -0.07 0.16 -0.04 1.99 2.09 1inlC1 GLU 52 HG2 0.02 -0.01 -0.36 -0.04 2.34 1.94 1inlC1 GLU 52 HG3 -0.00 -0.02 -0.11 -0.04 2.34 2.17 1inlC1 ASN 53 H -0.02 0.71 0.30 -0.55 8.53 8.97 1inlC1 ASN 53 HA 0.09 0.33 0.93 -0.75 4.76 5.36 1inlC1 ASN 53 HB2 0.21 0.09 0.04 -0.04 2.88 3.18 1inlC1 ASN 53 HB3 0.02 -0.08 0.15 -0.04 2.79 2.84 1inlC1 ASN 53 HD21 0.09 -0.10 0.17 -0.04 7.03 7.15 1inlC1 ASN 53 HD22 0.15 0.57 0.18 -0.04 7.74 8.60 1inlC1 PRO 54 HA 0.01 0.11 0.40 -0.51 4.44 4.45 1inlC1 PRO 54 HB2 0.01 -0.00 0.07 -0.04 2.28 2.32 1inlC1 PRO 54 HB3 0.01 0.10 0.10 -0.04 2.02 2.18 1inlC1 PRO 54 HG2 -0.02 0.09 0.05 -0.04 2.03 2.10 1inlC1 PRO 54 HG3 -0.01 0.07 0.06 -0.04 2.03 2.10 1inlC1 PRO 54 HD2 0.00 0.07 0.20 -0.04 3.68 3.91 1inlC1 PRO 54 HD3 -0.01 0.16 0.14 -0.04 3.65 3.90 1inlC1 ASP 55 H 0.02 -0.00 -0.18 -0.55 8.40 7.70 1inlC1 ASP 55 HA 0.01 0.29 0.89 -0.75 4.63 5.07 1inlC1 ASP 55 HB2 0.02 -0.07 0.09 -0.04 2.71 2.71 1inlC1 ASP 55 HB3 0.02 0.04 -0.02 -0.04 2.70 2.69 1inlC1 LEU 56 H 0.01 -0.01 -0.02 -0.55 8.37 7.81 1inlC1 LEU 56 HA 0.00 0.16 0.65 -0.75 4.35 4.41 1inlC1 LEU 56 HB2 -0.02 0.07 0.00 -0.04 1.64 1.65 1inlC1 LEU 56 HB3 -0.03 -0.13 0.04 -0.04 1.64 1.47 1inlC1 LEU 56 HG 0.02 -0.05 -0.01 -0.04 1.64 1.56 1inlC1 LEU 56 HD13 0.02 0.01 -0.04 -0.04 0.93 0.89 1inlC1 LEU 56 HD23 -0.01 0.02 -0.12 -0.04 0.89 0.75 1inlC1 GLY 57 H -0.01 0.45 -0.10 -0.55 8.43 8.22 1inlC1 GLY 57 HA2 -0.02 0.15 0.31 -0.51 4.01 3.94 1inlC1 GLY 57 HA3 -0.02 0.06 0.62 -0.51 4.01 4.16 1inlC1 VAL 58 H -0.04 0.13 0.23 -0.55 8.24 8.02 1inlC1 VAL 58 HA -0.13 0.25 0.72 -0.75 4.13 4.22 1inlC1 VAL 58 HB -0.04 -0.09 0.19 -0.04 2.12 2.14 1inlC1 VAL 58 HG13 -0.05 0.04 -0.12 -0.04 0.97 0.80 1inlC1 VAL 58 HG23 -0.02 0.02 0.05 -0.04 0.95 0.96 1inlC1 VAL 59 H -0.44 0.81 0.49 -0.55 8.24 8.56 1inlC1 VAL 59 HA -0.21 0.20 1.08 -0.75 4.13 4.45 1inlC1 VAL 59 HB -1.80 -0.03 0.08 -0.04 2.12 0.32 1inlC1 VAL 59 HG13 -0.35 -0.00 -0.17 -0.04 0.97 0.41 1inlC1 VAL 59 HG23 -0.29 0.04 -0.14 -0.04 0.95 0.51 1inlC1 PHE 60 H -0.00 0.67 0.37 -0.55 8.34 8.82 1inlC1 PHE 60 HA -0.08 0.29 1.09 -0.75 4.62 5.16 1inlC1 PHE 60 HB2 -0.02 0.07 -0.04 -0.04 3.15 3.12 1inlC1 PHE 60 HB3 -0.03 -0.08 0.18 -0.04 3.06 3.10 1inlC1 PHE 60 HD2 0.05 0.06 -0.03 -0.04 7.28 7.31 1inlC1 PHE 60 HE2 0.09 -0.06 -0.11 -0.04 7.38 7.25 1inlC1 PHE 60 HZ 0.08 -0.08 -0.12 -0.04 7.32 7.16 1inlC1 ALA 61 H 0.10 0.87 0.43 -0.55 8.40 9.25 1inlC1 ALA 61 HA -0.27 0.20 1.09 -0.75 4.34 4.60 1inlC1 ALA 61 HB3 0.03 -0.02 -0.17 -0.04 1.41 1.21 1inlC1 LEU 62 H -0.15 0.69 0.28 -0.55 8.37 8.64 1inlC1 LEU 62 HA 0.03 0.34 1.08 -0.75 4.35 5.06 1inlC1 LEU 62 HB2 -0.11 0.03 0.17 -0.04 1.64 1.68 1inlC1 LEU 62 HB3 0.02 -0.01 0.02 -0.04 1.64 1.62 1inlC1 LEU 62 HG -0.42 -0.02 -0.18 -0.04 1.64 0.98 1inlC1 LEU 62 HD13 0.08 -0.02 -0.03 -0.04 0.93 0.92 1inlC1 LEU 62 HD23 0.24 0.02 -0.05 -0.04 0.89 1.06 1inlC1 ASP 63 H 0.07 0.65 0.28 -0.55 8.40 8.86 1inlC1 ASP 63 HA 0.07 0.04 0.38 -0.75 4.63 4.37 1inlC1 ASP 63 HB2 0.05 0.05 -0.12 -0.04 2.71 2.65 1inlC1 ASP 63 HB3 0.05 0.09 0.27 -0.04 2.70 3.07 1inlC1 GLY 64 H 0.14 0.03 -0.36 -0.55 8.43 7.69 1inlC1 GLY 64 HA2 0.31 -0.00 0.18 -0.51 4.01 3.99 1inlC1 GLY 64 HA3 0.15 0.15 0.41 -0.51 4.01 4.21 1inlC1 ILE 65 H 0.09 0.25 -0.36 -0.55 8.25 7.68 1inlC1 ILE 65 HA 0.13 0.17 0.86 -0.75 4.18 4.58 1inlC1 ILE 65 HB 0.02 0.01 0.12 -0.04 1.89 2.00 1inlC1 ILE 65 HG12 0.10 0.08 -0.05 -0.04 1.49 1.58 1inlC1 ILE 65 HG13 0.09 0.13 -0.31 -0.04 1.21 1.08 1inlC1 ILE 65 HG23 -0.01 0.01 -0.07 -0.04 0.93 0.82 1inlC1 ILE 65 HD13 0.08 -0.03 -0.08 -0.04 0.88 0.81 1inlC1 THR 66 H 0.14 0.20 0.08 -0.55 8.28 8.15 1inlC1 THR 66 HA -0.00 0.03 0.50 -0.75 4.39 4.17 1inlC1 THR 66 HB 0.11 0.06 0.11 -0.04 4.32 4.56 1inlC1 THR 66 HG23 0.03 -0.01 -0.22 -0.04 1.22 0.98 1inlC1 MET 67 H -0.22 0.67 0.54 -0.55 8.47 8.91 1inlC1 MET 67 HA -0.14 0.14 0.88 -0.75 4.52 4.65 1inlC1 MET 67 HB2 -0.71 0.04 0.09 -0.04 2.15 1.52 1inlC1 MET 67 HB3 -0.15 -0.12 0.03 -0.04 2.03 1.75 1inlC1 MET 67 HG2 -0.54 0.05 0.08 -0.04 2.63 2.18 1inlC1 MET 67 HG3 -0.59 -0.10 -0.05 -0.04 2.56 1.78 1inlC1 MET 67 HE3 -0.06 -0.04 0.00 -0.04 2.10 1.96 1inlC1 THR 68 H -0.02 0.40 0.36 -0.55 8.28 8.47 1inlC1 THR 68 HA -0.04 0.18 0.73 -0.75 4.39 4.51 1inlC1 THR 68 HB 0.13 0.02 0.04 -0.04 4.32 4.46 1inlC1 THR 68 HG23 0.28 -0.01 -0.18 -0.04 1.22 1.26 1inlC1 THR 69 H -0.05 0.24 0.18 -0.55 8.28 8.10 1inlC1 THR 69 HA -0.07 0.32 0.86 -0.75 4.39 4.75 1inlC1 THR 69 HB -0.10 -0.09 -0.00 -0.04 4.32 4.08 1inlC1 THR 69 HG23 -0.04 -0.02 -0.08 -0.04 1.22 1.04 1inlC1 GLU 70 H -0.03 0.55 0.22 -0.55 8.60 8.79 1inlC1 GLU 70 HA 0.04 -0.01 0.47 -0.75 4.29 4.03 1inlC1 GLU 70 HB2 -0.01 0.10 0.34 -0.04 2.09 2.48 1inlC1 GLU 70 HB3 0.02 0.06 0.07 -0.04 1.99 2.10 1inlC1 GLU 70 HG2 0.00 -0.05 0.10 -0.04 2.34 2.35 1inlC1 GLU 70 HG3 -0.02 0.13 0.21 -0.04 2.34 2.62 1inlC1 LYS 71 H 0.01 0.31 -0.03 -0.55 8.42 8.15 1inlC1 LYS 71 HA 0.09 0.15 0.40 -0.75 4.32 4.20 1inlC1 LYS 71 HB2 0.02 0.12 0.15 -0.04 1.87 2.12 1inlC1 LYS 71 HB3 0.02 -0.12 0.07 -0.04 1.79 1.72 1inlC1 LYS 71 HG2 0.08 -0.05 -0.09 -0.04 1.46 1.36 1inlC1 LYS 71 HG3 0.07 0.04 0.09 -0.04 1.46 1.61 1inlC1 LYS 71 HD2 0.02 0.34 0.04 -0.04 1.69 2.06 1inlC1 LYS 71 HD3 0.02 -0.11 -0.08 -0.04 1.68 1.47 1inlC1 LYS 71 HE2 0.04 -0.04 -0.02 -0.04 2.99 2.93 1inlC1 LYS 71 HE3 0.04 0.03 0.02 -0.04 2.99 3.03 1inlC1 ASP 72 H -0.01 0.07 -0.28 -0.55 8.40 7.64 1inlC1 ASP 72 HA -0.05 0.32 1.05 -0.75 4.63 5.19 1inlC1 ASP 72 HB2 -0.28 -0.07 0.10 -0.04 2.71 2.42 1inlC1 ASP 72 HB3 -0.07 0.13 -0.24 -0.04 2.70 2.48 1inlC1 GLU 73 H 0.01 0.53 0.08 -0.55 8.60 8.68 1inlC1 GLU 73 HA -0.22 0.01 0.42 -0.75 4.29 3.74 1inlC1 GLU 73 HB2 0.22 -0.06 0.10 -0.04 2.09 2.31 1inlC1 GLU 73 HB3 0.03 -0.14 0.20 -0.04 1.99 2.04 1inlC1 GLU 73 HG2 0.12 -0.05 -0.06 -0.04 2.34 2.32 1inlC1 GLU 73 HG3 0.12 0.14 0.11 -0.04 2.34 2.67 1inlC1 PHE 74 H 0.26 0.20 -0.44 -0.55 8.34 7.81 1inlC1 PHE 74 HA 0.13 0.04 0.30 -0.75 4.62 4.34 1inlC1 PHE 74 HB2 0.12 -0.02 0.02 -0.04 3.15 3.22 1inlC1 PHE 74 HB3 0.08 0.08 0.02 -0.04 3.06 3.21 1inlC1 PHE 74 HD2 0.12 -0.08 -0.25 -0.04 7.28 7.03 1inlC1 PHE 74 HE2 0.15 0.23 -0.03 -0.04 7.38 7.69 1inlC1 PHE 74 HZ 0.10 0.04 0.01 -0.04 7.32 7.43 1inlC1 MET 75 H -0.95 0.43 -0.25 -0.55 8.47 7.16 1inlC1 MET 75 HA -0.52 0.03 0.34 -0.75 4.52 3.61 1inlC1 MET 75 HB2 -0.47 -0.05 0.11 -0.04 2.15 1.70 1inlC1 MET 75 HB3 -0.53 0.21 0.04 -0.04 2.03 1.71 1inlC1 MET 75 HG2 -0.33 0.04 0.01 -0.04 2.63 2.31 1inlC1 MET 75 HG3 -1.41 -0.00 0.09 -0.04 2.56 1.20 1inlC1 MET 75 HE3 -0.28 0.04 0.06 -0.04 2.10 1.88 1inlC1 TYR 76 H -0.27 0.19 -0.15 -0.55 8.29 7.51 1inlC1 TYR 76 HA -0.14 0.16 0.53 -0.75 4.56 4.35 1inlC1 TYR 76 HB2 -0.57 -0.01 0.07 -0.04 3.06 2.51 1inlC1 TYR 76 HB3 -0.60 0.05 0.18 -0.04 2.98 2.57 1inlC1 TYR 76 HD2 -0.57 0.02 -0.04 -0.04 7.15 6.51 1inlC1 TYR 76 HE2 0.16 -0.05 -0.00 -0.04 6.85 6.92 1inlC1 HIS 77 H -0.20 0.52 0.03 -0.55 8.41 8.22 1inlC1 HIS 77 HA -0.25 0.00 0.32 -0.75 4.63 3.95 1inlC1 HIS 77 HB2 0.05 0.08 -0.01 -0.04 3.26 3.34 1inlC1 HIS 77 HB3 -0.01 0.09 -0.26 -0.04 3.20 2.98 1inlC1 HIS 77 HD2 0.06 0.04 -0.08 -0.04 6.97 6.95 1inlC1 HIS 77 HE1 0.12 -0.02 0.00 -0.04 7.75 7.82 1inlC1 GLU 78 H 0.04 0.55 -0.22 -0.55 8.60 8.42 1inlC1 GLU 78 HA 0.02 0.08 0.45 -0.75 4.29 4.09 1inlC1 GLU 78 HB2 0.21 0.14 0.14 -0.04 2.09 2.53 1inlC1 GLU 78 HB3 0.41 -0.07 0.04 -0.04 1.99 2.33 1inlC1 GLU 78 HG2 0.41 0.08 0.06 -0.04 2.34 2.85 1inlC1 GLU 78 HG3 0.31 0.08 0.11 -0.04 2.34 2.79 1inlC1 MET 79 H -0.20 0.33 -0.26 -0.55 8.47 7.79 1inlC1 MET 79 HA -0.01 0.06 0.45 -0.75 4.52 4.26 1inlC1 MET 79 HB2 -0.54 0.07 0.09 -0.04 2.15 1.72 1inlC1 MET 79 HB3 -0.51 0.03 -0.10 -0.04 2.03 1.41 1inlC1 MET 79 HG2 -0.35 0.05 0.06 -0.04 2.63 2.36 1inlC1 MET 79 HG3 -0.14 -0.01 -0.01 -0.04 2.56 2.36 1inlC1 MET 79 HE3 0.13 0.05 -0.07 -0.04 2.10 2.18 1inlC1 LEU 80 H -0.41 0.45 -0.18 -0.55 8.37 7.68 1inlC1 LEU 80 HA -0.23 0.07 0.28 -0.75 4.35 3.72 1inlC1 LEU 80 HB2 -0.40 -0.02 0.01 -0.04 1.64 1.19 1inlC1 LEU 80 HB3 -0.31 -0.01 0.04 -0.04 1.64 1.32 1inlC1 LEU 80 HG -0.09 0.05 -0.30 -0.04 1.64 1.27 1inlC1 LEU 80 HD13 0.09 0.02 -0.20 -0.04 0.93 0.80 1inlC1 LEU 80 HD23 -0.06 -0.04 -0.15 -0.04 0.89 0.59 1inlC1 ALA 81 H -0.23 0.33 -0.29 -0.55 8.40 7.67 1inlC1 ALA 81 HA -0.16 0.15 0.60 -0.75 4.34 4.18 1inlC1 ALA 81 HB3 -0.31 -0.01 -0.01 -0.04 1.41 1.04 1inlC1 HIS 82 H -0.36 0.50 0.03 -0.55 8.41 8.04 1inlC1 HIS 82 HA -0.24 0.06 0.37 -0.75 4.63 4.07 1inlC1 HIS 82 HB2 -0.72 0.11 0.09 -0.04 3.26 2.69 1inlC1 HIS 82 HB3 -0.56 -0.02 -0.01 -0.04 3.20 2.56 1inlC1 HIS 82 HD2 0.03 -0.16 0.11 -0.04 6.97 6.90 1inlC1 HIS 82 HE1 0.14 0.24 -0.04 -0.04 7.75 8.06 1inlC1 VAL 83 H -0.09 0.26 -0.29 -0.55 8.24 7.56 1inlC1 VAL 83 HA 0.22 0.02 0.36 -0.75 4.13 3.98 1inlC1 VAL 83 HB -0.19 0.15 0.03 -0.04 2.12 2.07 1inlC1 VAL 83 HG13 -0.49 0.00 -0.16 -0.04 0.97 0.28 1inlC1 VAL 83 HG23 -0.40 -0.03 -0.00 -0.04 0.95 0.48 1inlC1 PRO 84 HA 0.33 0.09 0.38 -0.51 4.44 4.73 1inlC1 PRO 84 HB2 0.11 -0.01 -0.17 -0.04 2.28 2.17 1inlC1 PRO 84 HB3 0.30 0.06 -0.11 -0.04 2.02 2.23 1inlC1 PRO 84 HG2 -0.03 0.14 0.03 -0.04 2.03 2.12 1inlC1 PRO 84 HG3 0.03 0.02 0.00 -0.04 2.03 2.04 1inlC1 PRO 84 HD2 -0.01 -0.04 -0.40 -0.04 3.68 3.19 1inlC1 PRO 84 HD3 0.16 0.08 -0.02 -0.04 3.65 3.83 1inlC1 MET 85 H -0.10 0.43 -0.25 -0.55 8.47 8.00 1inlC1 MET 85 HA -0.18 0.01 0.33 -0.75 4.52 3.93 1inlC1 MET 85 HB2 -0.57 -0.01 0.03 -0.04 2.15 1.56 1inlC1 MET 85 HB3 -1.29 -0.01 -0.06 -0.04 2.03 0.64 1inlC1 MET 85 HG2 -0.25 0.17 -0.00 -0.04 2.63 2.50 1inlC1 MET 85 HG3 -0.42 -0.06 -0.11 -0.04 2.56 1.92 1inlC1 MET 85 HE3 -0.31 0.04 -0.03 -0.04 2.10 1.76 1inlC1 PHE 86 H 0.05 0.55 -0.15 -0.55 8.34 8.24 1inlC1 PHE 86 HA 0.07 0.08 0.46 -0.75 4.62 4.47 1inlC1 PHE 86 HB2 0.17 0.17 0.07 -0.04 3.15 3.51 1inlC1 PHE 86 HB3 0.17 -0.08 -0.03 -0.04 3.06 3.08 1inlC1 PHE 86 HD2 -0.08 0.08 -0.05 -0.04 7.28 7.18 1inlC1 PHE 86 HE2 -0.46 0.01 -0.11 -0.04 7.38 6.78 1inlC1 PHE 86 HZ -2.22 0.00 -0.06 -0.04 7.32 5.01 1inlC1 LEU 87 H 0.19 0.22 -0.45 -0.55 8.37 7.78 1inlC1 LEU 87 HA 0.15 0.08 0.53 -0.75 4.35 4.35 1inlC1 LEU 87 HB2 0.15 0.06 0.03 -0.04 1.64 1.84 1inlC1 LEU 87 HB3 0.10 -0.09 -0.14 -0.04 1.64 1.47 1inlC1 LEU 87 HG 0.19 0.02 -0.07 -0.04 1.64 1.74 1inlC1 LEU 87 HD13 -0.61 -0.02 -0.17 -0.04 0.93 0.09 1inlC1 LEU 87 HD23 0.06 0.04 -0.23 -0.04 0.89 0.71 1inlC1 HIS 88 H 0.19 0.29 -0.27 -0.55 8.41 8.08 1inlC1 HIS 88 HA 0.09 0.09 0.57 -0.75 4.63 4.62 1inlC1 HIS 88 HB2 0.06 0.04 0.07 -0.04 3.26 3.39 1inlC1 HIS 88 HB3 0.01 0.06 0.04 -0.04 3.20 3.26 1inlC1 HIS 88 HD2 0.06 0.03 0.10 -0.04 6.97 7.12 1inlC1 HIS 88 HE1 0.03 0.03 -0.12 -0.04 7.75 7.64 1inlC1 PRO 89 HA 0.01 0.10 0.41 -0.51 4.44 4.45 1inlC1 PRO 89 HB2 -0.09 -0.03 0.02 -0.04 2.28 2.13 1inlC1 PRO 89 HB3 -0.04 -0.01 0.06 -0.04 2.02 1.99 1inlC1 PRO 89 HG2 -0.18 -0.01 0.08 -0.04 2.03 1.87 1inlC1 PRO 89 HG3 -0.10 0.07 0.08 -0.04 2.03 2.05 1inlC1 PRO 89 HD2 -1.24 0.05 0.18 -0.04 3.68 2.62 1inlC1 PRO 89 HD3 -0.33 0.23 0.28 -0.04 3.65 3.79 1inlC1 ASN 90 H 0.47 0.06 -0.33 -0.55 8.53 8.18 1inlC1 ASN 90 HA 0.13 0.15 0.39 -0.75 4.76 4.67 1inlC1 ASN 90 HB2 0.08 0.13 -0.19 -0.04 2.88 2.86 1inlC1 ASN 90 HB3 0.12 -0.08 0.02 -0.04 2.79 2.81 1inlC1 ASN 90 HD21 0.04 0.01 -0.03 -0.04 7.03 7.01 1inlC1 ASN 90 HD22 0.06 -0.05 -0.01 -0.04 7.74 7.70 1inlC1 PRO 91 HA -0.35 -0.06 0.50 -0.51 4.44 4.03 1inlC1 PRO 91 HB2 -0.16 -0.02 -0.09 -0.04 2.28 1.96 1inlC1 PRO 91 HB3 -0.27 0.04 -0.02 -0.04 2.02 1.73 1inlC1 PRO 91 HG2 -0.05 -0.06 0.04 -0.04 2.03 1.92 1inlC1 PRO 91 HG3 -0.12 0.24 0.06 -0.04 2.03 2.17 1inlC1 PRO 91 HD2 0.10 0.10 -0.03 -0.04 3.68 3.81 1inlC1 PRO 91 HD3 0.21 0.27 -0.19 -0.04 3.65 3.90 1inlC1 LYS 92 H -0.07 0.07 0.26 -0.55 8.42 8.12 1inlC1 LYS 92 HA 0.00 0.37 0.79 -0.75 4.32 4.73 1inlC1 LYS 92 HB2 -0.00 -0.05 0.13 -0.04 1.87 1.90 1inlC1 LYS 92 HB3 0.01 -0.03 0.08 -0.04 1.79 1.80 1inlC1 LYS 92 HG2 0.03 0.21 -0.12 -0.04 1.46 1.54 1inlC1 LYS 92 HG3 0.03 0.17 -0.12 -0.04 1.46 1.50 1inlC1 LYS 92 HD2 0.02 -0.02 0.00 -0.04 1.69 1.65 1inlC1 LYS 92 HD3 0.03 -0.02 -0.02 -0.04 1.68 1.63 1inlC1 LYS 92 HE2 0.04 0.04 0.03 -0.04 2.99 3.06 1inlC1 LYS 92 HE3 0.01 -0.03 0.03 -0.04 2.99 2.96 1inlC1 LYS 93 H -0.04 0.03 0.22 -0.55 8.42 8.07 1inlC1 LYS 93 HA 0.04 0.39 1.14 -0.75 4.32 5.13 1inlC1 LYS 93 HB2 -0.01 -0.09 0.31 -0.04 1.87 2.04 1inlC1 LYS 93 HB3 0.04 0.05 0.07 -0.04 1.79 1.91 1inlC1 LYS 93 HG2 -0.01 0.06 -0.03 -0.04 1.46 1.44 1inlC1 LYS 93 HG3 -0.03 -0.10 -0.11 -0.04 1.46 1.18 1inlC1 LYS 93 HD2 -0.07 -0.03 0.01 -0.04 1.69 1.56 1inlC1 LYS 93 HD3 -0.13 0.21 0.11 -0.04 1.68 1.83 1inlC1 LYS 93 HE2 -0.32 -0.03 -0.05 -0.04 2.99 2.56 1inlC1 LYS 93 HE3 -0.09 -0.03 -0.02 -0.04 2.99 2.81 1inlC1 VAL 94 H 0.06 0.75 0.39 -0.55 8.24 8.90 1inlC1 VAL 94 HA -0.00 0.24 1.14 -0.75 4.13 4.76 1inlC1 VAL 94 HB -0.03 -0.03 0.05 -0.04 2.12 2.07 1inlC1 VAL 94 HG13 -0.08 -0.01 -0.23 -0.04 0.97 0.60 1inlC1 VAL 94 HG23 -0.07 0.01 -0.31 -0.04 0.95 0.53 1inlC1 LEU 95 H -0.24 0.70 0.39 -0.55 8.37 8.67 1inlC1 LEU 95 HA -0.24 0.17 1.05 -0.75 4.35 4.56 1inlC1 LEU 95 HB2 -1.72 0.03 -0.03 -0.04 1.64 -0.12 1inlC1 LEU 95 HB3 -0.82 0.03 0.18 -0.04 1.64 1.00 1inlC1 LEU 95 HG -0.19 -0.07 -0.36 -0.04 1.64 0.98 1inlC1 LEU 95 HD13 -0.05 0.01 -0.08 -0.04 0.93 0.77 1inlC1 LEU 95 HD23 -0.35 0.00 -0.10 -0.04 0.89 0.40 1inlC1 ILE 96 H -0.10 0.87 0.36 -0.55 8.25 8.83 1inlC1 ILE 96 HA -0.06 0.25 1.05 -0.75 4.18 4.66 1inlC1 ILE 96 HB -0.03 -0.01 0.17 -0.04 1.89 1.98 1inlC1 ILE 96 HG12 -0.06 0.01 -0.16 -0.04 1.49 1.25 1inlC1 ILE 96 HG13 -0.07 -0.00 -0.38 -0.04 1.21 0.72 1inlC1 ILE 96 HG23 0.01 -0.02 -0.20 -0.04 0.93 0.67 1inlC1 ILE 96 HD13 -0.02 -0.03 -0.28 -0.04 0.88 0.51 1inlC1 ILE 97 H 0.01 0.73 0.38 -0.55 8.25 8.82 1inlC1 ILE 97 HA 0.02 0.16 1.06 -0.75 4.18 4.67 1inlC1 ILE 97 HB 0.14 0.05 0.19 -0.04 1.89 2.22 1inlC1 ILE 97 HG12 0.12 -0.02 -0.04 -0.04 1.49 1.50 1inlC1 ILE 97 HG13 0.06 0.02 -0.28 -0.04 1.21 0.97 1inlC1 ILE 97 HG23 0.07 -0.03 -0.04 -0.04 0.93 0.88 1inlC1 ILE 97 HD13 0.35 -0.00 -0.09 -0.04 0.88 1.09 1inlC1 GLY 98 H 0.03 0.70 0.32 -0.55 8.43 8.93 1inlC1 GLY 98 HA2 0.07 -0.15 0.41 -0.51 4.01 3.83 1inlC1 GLY 98 HA3 0.09 0.25 0.51 -0.51 4.01 4.35 1inlC1 GLY 99 H 0.15 0.35 0.21 -0.55 8.43 8.60 1inlC1 GLY 99 HA2 0.22 -0.03 0.37 -0.51 4.01 4.06 1inlC1 GLY 99 HA3 0.16 0.12 0.42 -0.51 4.01 4.21 1inlC1 GLY 100 H 0.17 0.08 -0.01 -0.55 8.43 8.11 1inlC1 GLY 100 HA2 0.09 0.20 0.16 -0.51 4.01 3.95 1inlC1 GLY 100 HA3 0.13 -0.04 0.17 -0.51 4.01 3.76 1inlC1 ASP 101 H 0.22 -0.06 -0.56 -0.55 8.40 7.44 1inlC1 ASP 101 HA -0.01 0.15 0.45 -0.75 4.63 4.46 1inlC1 ASP 101 HB2 0.09 0.05 -0.03 -0.04 2.71 2.77 1inlC1 ASP 101 HB3 0.28 -0.01 -0.02 -0.04 2.70 2.91 1inlC1 GLY 102 H 0.14 0.36 -0.22 -0.55 8.43 8.16 1inlC1 GLY 102 HA2 0.23 0.05 0.21 -0.51 4.01 3.99 1inlC1 GLY 102 HA3 0.07 0.28 0.43 -0.51 4.01 4.28 1inlC1 GLY 103 H -0.21 -0.02 -0.24 -0.55 8.43 7.41 1inlC1 GLY 103 HA2 -0.28 0.20 0.32 -0.51 4.01 3.74 1inlC1 GLY 103 HA3 -1.27 -0.02 0.26 -0.51 4.01 2.46 1inlC1 THR 104 H -0.20 0.03 -0.14 -0.55 8.28 7.43 1inlC1 THR 104 HA -0.04 0.13 0.43 -0.75 4.39 4.16 1inlC1 THR 104 HB 0.03 0.00 -0.01 -0.04 4.32 4.29 1inlC1 THR 104 HG23 -0.04 0.04 -0.18 -0.04 1.22 0.99 1inlC1 LEU 105 H -0.01 0.03 -0.33 -0.55 8.37 7.51 1inlC1 LEU 105 HA -0.00 0.08 0.26 -0.75 4.35 3.93 1inlC1 LEU 105 HB2 0.05 -0.05 -0.03 -0.04 1.64 1.56 1inlC1 LEU 105 HB3 0.08 0.14 0.04 -0.04 1.64 1.86 1inlC1 LEU 105 HG 0.06 0.03 -0.36 -0.04 1.64 1.32 1inlC1 LEU 105 HD13 0.02 0.01 -0.16 -0.04 0.93 0.76 1inlC1 LEU 105 HD23 0.16 0.01 -0.24 -0.04 0.89 0.78 1inlC1 ARG 106 H -0.03 0.48 -0.20 -0.55 8.46 8.15 1inlC1 ARG 106 HA 0.01 0.03 0.29 -0.75 4.34 3.92 1inlC1 ARG 106 HB2 -0.04 0.03 0.05 -0.04 1.90 1.89 1inlC1 ARG 106 HB3 -0.04 0.10 0.13 -0.04 1.80 1.95 1inlC1 ARG 106 HG2 0.03 0.02 -0.25 -0.04 1.67 1.44 1inlC1 ARG 106 HG3 -0.00 -0.02 -0.06 -0.04 1.67 1.54 1inlC1 ARG 106 HD2 0.01 -0.00 -0.03 -0.04 3.22 3.16 1inlC1 ARG 106 HD3 -0.02 0.09 0.04 -0.04 3.22 3.29 1inlC1 GLU 107 H -0.02 0.34 -0.25 -0.55 8.60 8.13 1inlC1 GLU 107 HA 0.15 0.06 0.37 -0.75 4.29 4.12 1inlC1 GLU 107 HB2 -0.15 0.07 0.07 -0.04 2.09 2.04 1inlC1 GLU 107 HB3 -0.41 -0.03 -0.05 -0.04 1.99 1.46 1inlC1 GLU 107 HG2 0.04 0.17 -0.03 -0.04 2.34 2.48 1inlC1 GLU 107 HG3 0.03 -0.11 -0.40 -0.04 2.34 1.81 1inlC1 VAL 108 H -0.02 0.52 -0.15 -0.55 8.24 8.04 1inlC1 VAL 108 HA 0.03 0.02 0.32 -0.75 4.13 3.74 1inlC1 VAL 108 HB -0.01 0.06 0.07 -0.04 2.12 2.20 1inlC1 VAL 108 HG13 -0.03 -0.00 -0.23 -0.04 0.97 0.67 1inlC1 VAL 108 HG23 -0.09 0.00 -0.09 -0.04 0.95 0.73 1inlC1 LEU 109 H 0.05 0.52 -0.27 -0.55 8.37 8.12 1inlC1 LEU 109 HA 0.06 0.09 0.25 -0.75 4.35 4.00 1inlC1 LEU 109 HB2 0.04 0.08 0.02 -0.04 1.64 1.75 1inlC1 LEU 109 HB3 0.04 -0.04 0.00 -0.04 1.64 1.60 1inlC1 LEU 109 HG 0.03 0.07 -0.05 -0.04 1.64 1.65 1inlC1 LEU 109 HD13 0.04 -0.04 -0.10 -0.04 0.93 0.80 1inlC1 LEU 109 HD23 0.03 -0.01 -0.16 -0.04 0.89 0.72 1inlC1 LYS 110 H 0.16 0.31 -0.66 -0.55 8.42 7.68 1inlC1 LYS 110 HA 0.01 0.01 0.37 -0.75 4.32 3.96 1inlC1 LYS 110 HB2 0.30 0.23 0.05 -0.04 1.87 2.41 1inlC1 LYS 110 HB3 0.09 -0.12 -0.00 -0.04 1.79 1.72 1inlC1 LYS 110 HG2 0.04 -0.07 0.00 -0.04 1.46 1.39 1inlC1 LYS 110 HG3 0.12 0.21 0.05 -0.04 1.46 1.80 1inlC1 LYS 110 HD2 0.34 -0.04 0.02 -0.04 1.69 1.97 1inlC1 LYS 110 HD3 0.20 0.00 -0.04 -0.04 1.68 1.80 1inlC1 LYS 110 HE2 0.07 -0.07 -0.01 -0.04 2.99 2.94 1inlC1 LYS 110 HE3 0.12 -0.02 -0.12 -0.04 2.99 2.93 1inlC1 HIS 111 H 0.27 0.47 -0.34 -0.55 8.41 8.26 1inlC1 HIS 111 HA 0.23 -0.01 0.64 -0.75 4.63 4.74 1inlC1 HIS 111 HB2 0.01 0.18 0.16 -0.04 3.26 3.57 1inlC1 HIS 111 HB3 0.01 -0.07 0.02 -0.04 3.20 3.12 1inlC1 HIS 111 HD2 0.05 0.18 0.03 -0.04 6.97 7.19 1inlC1 HIS 111 HE1 -2.71 -0.01 -0.15 -0.04 7.75 4.83 1inlC1 ASP 112 H 0.08 0.13 0.17 -0.55 8.40 8.24 1inlC1 ASP 112 HA 0.04 0.16 0.33 -0.75 4.63 4.40 1inlC1 ASP 112 HB2 0.05 -0.05 0.09 -0.04 2.71 2.76 1inlC1 ASP 112 HB3 0.03 0.00 0.04 -0.04 2.70 2.73 1inlC1 SER 113 H 0.11 -0.00 -0.36 -0.55 8.46 7.67 1inlC1 SER 113 HA 0.05 0.04 0.36 -0.75 4.49 4.18 1inlC1 SER 113 HB2 0.06 -0.06 -0.19 -0.04 3.95 3.71 1inlC1 SER 113 HB3 0.08 -0.06 -0.02 -0.04 3.93 3.89 1inlC1 VAL 114 H 0.07 0.26 -0.32 -0.55 8.24 7.70 1inlC1 VAL 114 HA 0.01 0.00 0.47 -0.75 4.13 3.86 1inlC1 VAL 114 HB 0.05 0.16 0.02 -0.04 2.12 2.31 1inlC1 VAL 114 HG13 0.02 -0.04 -0.39 -0.04 0.97 0.52 1inlC1 VAL 114 HG23 0.03 -0.03 -0.09 -0.04 0.95 0.81 1inlC1 GLU 115 H 0.01 0.55 0.47 -0.55 8.60 9.09 1inlC1 GLU 115 HA 0.02 0.15 0.87 -0.75 4.29 4.58 1inlC1 GLU 115 HB2 0.01 -0.01 0.13 -0.04 2.09 2.19 1inlC1 GLU 115 HB3 0.01 -0.08 0.08 -0.04 1.99 1.96 1inlC1 GLU 115 HG2 0.02 0.00 -0.03 -0.04 2.34 2.29 1inlC1 GLU 115 HG3 0.02 0.27 -0.01 -0.04 2.34 2.58 1inlC1 LYS 116 H 0.02 0.43 0.34 -0.55 8.42 8.65 1inlC1 LYS 116 HA 0.03 0.40 0.82 -0.75 4.32 4.81 1inlC1 LYS 116 HB2 0.02 0.05 -0.14 -0.04 1.87 1.75 1inlC1 LYS 116 HB3 0.03 -0.11 0.14 -0.04 1.79 1.80 1inlC1 LYS 116 HG2 0.06 -0.09 -0.22 -0.04 1.46 1.17 1inlC1 LYS 116 HG3 0.04 0.15 0.03 -0.04 1.46 1.63 1inlC1 LYS 116 HD2 0.02 0.02 -0.04 -0.04 1.69 1.65 1inlC1 LYS 116 HD3 0.02 -0.05 -0.06 -0.04 1.68 1.55 1inlC1 LYS 116 HE2 0.06 -0.03 -0.06 -0.04 2.99 2.91 1inlC1 LYS 116 HE3 0.08 -0.06 -0.11 -0.04 2.99 2.86 1inlC1 ALA 117 H 0.03 0.72 0.18 -0.55 8.40 8.78 1inlC1 ALA 117 HA 0.02 0.23 0.97 -0.75 4.34 4.80 1inlC1 ALA 117 HB3 0.01 -0.02 -0.11 -0.04 1.41 1.25 1inlC1 ILE 118 H -0.00 0.70 0.36 -0.55 8.25 8.75 1inlC1 ILE 118 HA -0.00 0.29 1.08 -0.75 4.18 4.79 1inlC1 ILE 118 HB -0.00 -0.06 0.17 -0.04 1.89 1.95 1inlC1 ILE 118 HG12 0.09 0.05 -0.10 -0.04 1.49 1.48 1inlC1 ILE 118 HG13 0.11 0.01 -0.17 -0.04 1.21 1.13 1inlC1 ILE 118 HG23 0.03 -0.02 -0.20 -0.04 0.93 0.70 1inlC1 ILE 118 HD13 0.24 -0.00 -0.10 -0.04 0.88 0.97 1inlC1 LEU 119 H -0.07 0.76 0.38 -0.55 8.37 8.89 1inlC1 LEU 119 HA -0.05 0.20 0.95 -0.75 4.35 4.69 1inlC1 LEU 119 HB2 -0.04 0.02 -0.04 -0.04 1.64 1.54 1inlC1 LEU 119 HB3 -0.13 -0.00 0.18 -0.04 1.64 1.64 1inlC1 LEU 119 HG -0.08 -0.11 -0.30 -0.04 1.64 1.11 1inlC1 LEU 119 HD13 0.01 0.03 -0.11 -0.04 0.93 0.82 1inlC1 LEU 119 HD23 -0.07 -0.02 -0.10 -0.04 0.89 0.66 1inlC1 CYS 120 H -0.07 0.85 0.30 -0.55 8.50 9.04 1inlC1 CYS 120 HA -0.20 0.29 0.96 -0.75 4.58 4.88 1inlC1 CYS 120 HB2 -0.23 0.07 -0.04 -0.04 2.97 2.73 1inlC1 CYS 120 HB3 -0.04 -0.05 0.24 -0.04 2.97 3.08 1inlC1 GLU 121 H -0.10 0.71 0.31 -0.55 8.60 8.98 1inlC1 GLU 121 HA 0.00 -0.02 0.91 -0.75 4.29 4.43 1inlC1 GLU 121 HB2 -0.02 0.05 -0.18 -0.04 2.09 1.90 1inlC1 GLU 121 HB3 -0.07 0.15 0.01 -0.04 1.99 2.04 1inlC1 GLU 121 HG2 0.02 0.05 -0.07 -0.04 2.34 2.30 1inlC1 GLU 121 HG3 0.01 -0.07 -0.35 -0.04 2.34 1.88 1inlC1 VAL 122 H 0.03 0.05 0.19 -0.55 8.24 7.96 1inlC1 VAL 122 HA 0.00 0.21 0.37 -0.75 4.13 3.96 1inlC1 VAL 122 HB 0.03 -0.01 0.13 -0.04 2.12 2.23 1inlC1 VAL 122 HG13 0.05 -0.02 0.02 -0.04 0.97 0.98 1inlC1 VAL 122 HG23 0.03 0.00 -0.07 -0.04 0.95 0.87 1inlC1 ASP 123 H 0.04 0.04 -0.10 -0.55 8.40 7.84 1inlC1 ASP 123 HA 0.04 0.24 0.90 -0.75 4.63 5.05 1inlC1 ASP 123 HB2 0.07 0.05 0.00 -0.04 2.71 2.79 1inlC1 ASP 123 HB3 0.09 -0.04 0.14 -0.04 2.70 2.84 1inlC1 GLY 124 H 0.02 0.31 0.15 -0.55 8.43 8.36 1inlC1 GLY 124 HA2 -0.01 0.14 0.33 -0.51 4.01 3.95 1inlC1 GLY 124 HA3 0.01 0.17 0.32 -0.51 4.01 4.00 1inlC1 LEU 125 H 0.05 0.04 -0.22 -0.55 8.37 7.69 1inlC1 LEU 125 HA 0.05 0.17 0.41 -0.75 4.35 4.23 1inlC1 LEU 125 HB2 0.08 0.03 0.06 -0.04 1.64 1.77 1inlC1 LEU 125 HB3 0.10 -0.07 -0.04 -0.04 1.64 1.59 1inlC1 LEU 125 HG 0.18 -0.02 -0.16 -0.04 1.64 1.60 1inlC1 LEU 125 HD13 0.13 0.03 -0.01 -0.04 0.93 1.04 1inlC1 LEU 125 HD23 0.16 0.01 -0.23 -0.04 0.89 0.79 1inlC1 VAL 126 H 0.07 0.17 -0.33 -0.55 8.24 7.60 1inlC1 VAL 126 HA 0.07 0.06 0.34 -0.75 4.13 3.85 1inlC1 VAL 126 HB 0.09 0.18 0.10 -0.04 2.12 2.45 1inlC1 VAL 126 HG13 0.14 0.02 -0.23 -0.04 0.97 0.86 1inlC1 VAL 126 HG23 0.20 -0.03 -0.04 -0.04 0.95 1.04 1inlC1 ILE 127 H 0.02 0.22 -0.20 -0.55 8.25 7.74 1inlC1 ILE 127 HA 0.12 0.18 0.38 -0.75 4.18 4.10 1inlC1 ILE 127 HB -0.04 0.10 0.12 -0.04 1.89 2.03 1inlC1 ILE 127 HG12 -0.04 -0.10 -0.01 -0.04 1.49 1.30 1inlC1 ILE 127 HG13 -0.14 0.05 -0.07 -0.04 1.21 1.01 1inlC1 ILE 127 HG23 -0.20 0.02 -0.14 -0.04 0.93 0.57 1inlC1 ILE 127 HD13 -0.26 0.05 -0.04 -0.04 0.88 0.59 1inlC1 GLU 128 H 0.01 0.43 -0.14 -0.55 8.60 8.35 1inlC1 GLU 128 HA -0.01 0.10 0.39 -0.75 4.29 4.02 1inlC1 GLU 128 HB2 -0.01 -0.02 0.11 -0.04 2.09 2.13 1inlC1 GLU 128 HB3 -0.04 0.01 -0.01 -0.04 1.99 1.92 1inlC1 GLU 128 HG2 -0.00 0.10 0.04 -0.04 2.34 2.43 1inlC1 GLU 128 HG3 -0.00 -0.01 -0.01 -0.04 2.34 2.27 1inlC1 ALA 129 H -0.04 0.51 -0.24 -0.55 8.40 8.08 1inlC1 ALA 129 HA -0.19 0.07 0.43 -0.75 4.34 3.90 1inlC1 ALA 129 HB3 -0.10 -0.01 0.01 -0.04 1.41 1.27 1inlC1 ALA 130 H -0.05 0.58 -0.21 -0.55 8.40 8.17 1inlC1 ALA 130 HA -0.18 -0.11 0.38 -0.75 4.34 3.68 1inlC1 ALA 130 HB3 -0.03 0.03 0.09 -0.04 1.41 1.47 1inlC1 ARG 131 H -0.00 0.47 -0.25 -0.55 8.46 8.13 1inlC1 ARG 131 HA -0.17 0.04 0.30 -0.75 4.34 3.76 1inlC1 ARG 131 HB2 -0.05 0.12 0.12 -0.04 1.90 2.05 1inlC1 ARG 131 HB3 -0.05 -0.01 -0.06 -0.04 1.80 1.64 1inlC1 ARG 131 HG2 0.26 -0.01 -0.01 -0.04 1.67 1.86 1inlC1 ARG 131 HG3 0.28 0.17 0.02 -0.04 1.67 2.09 1inlC1 ARG 131 HD2 0.03 -0.04 -0.04 -0.04 3.22 3.12 1inlC1 ARG 131 HD3 0.04 0.01 -0.04 -0.04 3.22 3.18 1inlC1 LYS 132 H -0.27 0.28 -0.28 -0.55 8.42 7.59 1inlC1 LYS 132 HA -0.31 0.15 0.56 -0.75 4.32 3.96 1inlC1 LYS 132 HB2 -1.18 -0.00 0.08 -0.04 1.87 0.73 1inlC1 LYS 132 HB3 -0.86 -0.02 0.03 -0.04 1.79 0.89 1inlC1 LYS 132 HG2 -0.27 0.22 0.09 -0.04 1.46 1.46 1inlC1 LYS 132 HG3 -0.33 -0.05 -0.00 -0.04 1.46 1.03 1inlC1 LYS 132 HD2 -0.19 -0.02 -0.02 -0.04 1.69 1.42 1inlC1 LYS 132 HD3 -0.22 0.04 -0.11 -0.04 1.68 1.35 1inlC1 LYS 132 HE2 -0.09 0.01 -0.06 -0.04 2.99 2.81 1inlC1 LYS 132 HE3 -0.11 -0.03 -0.10 -0.04 2.99 2.72 1inlC1 TYR 133 H -0.24 0.56 -0.01 -0.55 8.29 8.05 1inlC1 TYR 133 HA -0.08 0.26 1.01 -0.75 4.56 4.99 1inlC1 TYR 133 HB2 -0.13 0.01 -0.05 -0.04 3.06 2.85 1inlC1 TYR 133 HB3 -0.06 -0.08 0.04 -0.04 2.98 2.84 1inlC1 TYR 133 HD2 -0.19 0.01 -0.05 -0.04 7.15 6.88 1inlC1 TYR 133 HE2 -0.37 -0.01 -0.05 -0.04 6.85 6.38 1inlC1 LEU 134 H -0.12 0.55 -0.05 -0.55 8.37 8.21 1inlC1 LEU 134 HA -0.06 0.13 0.87 -0.75 4.35 4.55 1inlC1 LEU 134 HB2 -0.18 0.11 0.24 -0.04 1.64 1.78 1inlC1 LEU 134 HB3 -0.11 -0.13 0.16 -0.04 1.64 1.52 1inlC1 LEU 134 HG -0.16 0.04 -0.31 -0.04 1.64 1.17 1inlC1 LEU 134 HD13 -0.61 -0.03 -0.08 -0.04 0.93 0.17 1inlC1 LEU 134 HD23 -0.05 0.06 -0.20 -0.04 0.89 0.67 1inlC1 LYS 135 H -0.08 0.24 -0.27 -0.55 8.42 7.75 1inlC1 LYS 135 HA -0.17 0.12 0.20 -0.75 4.32 3.72 1inlC1 LYS 135 HB2 -0.07 -0.03 -0.01 -0.04 1.87 1.72 1inlC1 LYS 135 HB3 -0.09 0.04 -0.01 -0.04 1.79 1.69 1inlC1 LYS 135 HG2 -0.13 0.19 -0.04 -0.04 1.46 1.44 1inlC1 LYS 135 HG3 -0.10 -0.04 -0.17 -0.04 1.46 1.11 1inlC1 LYS 135 HD2 -0.06 -0.06 -0.03 -0.04 1.69 1.51 1inlC1 LYS 135 HD3 -0.07 -0.01 -0.02 -0.04 1.68 1.53 1inlC1 LYS 135 HE2 -0.09 0.13 0.04 -0.04 2.99 3.02 1inlC1 LYS 135 HE3 -0.07 -0.06 0.01 -0.04 2.99 2.83 1inlC1 GLN 136 H -0.06 0.05 -0.31 -0.55 8.47 7.61 1inlC1 GLN 136 HA -0.04 0.14 0.38 -0.75 4.36 4.08 1inlC1 GLN 136 HB2 -0.02 0.02 0.07 -0.04 2.15 2.18 1inlC1 GLN 136 HB3 -0.01 -0.08 0.01 -0.04 2.02 1.90 1inlC1 GLN 136 HG2 0.03 -0.03 -0.16 -0.04 2.40 2.19 1inlC1 GLN 136 HG3 0.00 0.06 0.05 -0.04 2.39 2.46 1inlC1 GLN 136 HE21 0.08 0.48 0.18 -0.04 6.97 7.67 1inlC1 GLN 136 HE22 0.10 -0.13 -0.01 -0.04 7.69 7.60 1inlC1 THR 137 H -0.09 0.24 -0.20 -0.55 8.28 7.68 1inlC1 THR 137 HA -0.08 0.20 0.78 -0.75 4.39 4.53 1inlC1 THR 137 HB -0.11 -0.25 -0.26 -0.04 4.32 3.67 1inlC1 THR 137 HG23 0.04 -0.03 -0.13 -0.04 1.22 1.07 1inlC1 SER 138 H -0.26 0.42 0.01 -0.55 8.46 8.08 1inlC1 SER 138 HA -0.82 0.08 0.59 -0.75 4.49 3.59 1inlC1 SER 138 HB2 -1.67 -0.09 -0.03 -0.04 3.95 2.12 1inlC1 SER 138 HB3 -0.69 0.01 -0.11 -0.04 3.93 3.11 1inlC1 CYS 139 H -0.19 0.21 -0.58 -0.55 8.50 7.39 1inlC1 CYS 139 HA -0.14 0.06 0.25 -0.75 4.58 4.01 1inlC1 CYS 139 HB2 -0.06 -0.01 0.03 -0.04 2.97 2.89 1inlC1 CYS 139 HB3 -0.09 0.16 0.06 -0.04 2.97 3.06 1inlC1 GLY 140 H -0.09 0.12 -0.49 -0.55 8.43 7.42 1inlC1 GLY 140 HA2 0.02 0.20 0.66 -0.51 4.01 4.38 1inlC1 GLY 140 HA3 0.04 0.04 0.15 -0.51 4.01 3.73 1inlC1 PHE 141 H 0.06 0.47 -0.20 -0.55 8.34 8.12 1inlC1 PHE 141 HA -0.02 -0.01 0.25 -0.75 4.62 4.08 1inlC1 PHE 141 HB2 -0.04 0.11 0.05 -0.04 3.15 3.23 1inlC1 PHE 141 HB3 -0.03 -0.01 -0.11 -0.04 3.06 2.86 1inlC1 PHE 141 HD2 -0.04 -0.03 -0.07 -0.04 7.28 7.10 1inlC1 PHE 141 HE2 -0.05 -0.03 -0.09 -0.04 7.38 7.18 1inlC1 PHE 141 HZ -0.05 0.22 -0.16 -0.04 7.32 7.29 1inlC1 ASP 142 H 0.10 0.12 -0.38 -0.55 8.40 7.69 1inlC1 ASP 142 HA 0.05 0.26 0.78 -0.75 4.63 4.97 1inlC1 ASP 142 HB2 0.03 0.01 -0.02 -0.04 2.71 2.70 1inlC1 ASP 142 HB3 0.03 0.01 0.11 -0.04 2.70 2.80 1inlC1 ASP 143 H 0.06 0.38 -0.39 -0.55 8.40 7.90 1inlC1 ASP 143 HA 0.02 0.08 0.45 -0.75 4.63 4.42 1inlC1 ASP 143 HB2 0.03 0.01 0.11 -0.04 2.71 2.83 1inlC1 ASP 143 HB3 0.03 -0.03 0.08 -0.04 2.70 2.74 1inlC1 PRO 144 HA 0.01 0.10 0.44 -0.51 4.44 4.49 1inlC1 PRO 144 HB2 0.01 0.04 0.04 -0.04 2.28 2.33 1inlC1 PRO 144 HB3 0.01 0.00 0.12 -0.04 2.02 2.11 1inlC1 PRO 144 HG2 0.01 0.01 0.10 -0.04 2.03 2.10 1inlC1 PRO 144 HG3 0.01 0.05 0.12 -0.04 2.03 2.17 1inlC1 PRO 144 HD2 0.01 0.08 0.21 -0.04 3.68 3.95 1inlC1 PRO 144 HD3 0.01 0.15 0.27 -0.04 3.65 4.04 1inlC1 ARG 145 H 0.02 -0.00 -0.41 -0.55 8.46 7.52 1inlC1 ARG 145 HA 0.02 0.21 0.58 -0.75 4.34 4.40 1inlC1 ARG 145 HB2 0.02 -0.07 -0.14 -0.04 1.90 1.67 1inlC1 ARG 145 HB3 0.02 -0.05 -0.31 -0.04 1.80 1.42 1inlC1 ARG 145 HG2 0.02 0.14 -0.00 -0.04 1.67 1.78 1inlC1 ARG 145 HG3 0.02 -0.16 -0.05 -0.04 1.67 1.44 1inlC1 ARG 145 HD2 0.02 0.18 -0.20 -0.04 3.22 3.18 1inlC1 ARG 145 HD3 0.02 0.01 0.01 -0.04 3.22 3.22 1inlC1 ALA 146 H 0.02 0.35 -0.34 -0.55 8.40 7.89 1inlC1 ALA 146 HA 0.02 0.24 0.85 -0.75 4.34 4.69 1inlC1 ALA 146 HB3 0.03 -0.02 -0.01 -0.04 1.41 1.37 1inlC1 GLU 147 H -0.01 0.50 0.36 -0.55 8.60 8.91 1inlC1 GLU 147 HA -0.02 0.17 0.82 -0.75 4.29 4.51 1inlC1 GLU 147 HB2 0.02 0.12 -0.14 -0.04 2.09 2.06 1inlC1 GLU 147 HB3 0.03 -0.09 0.07 -0.04 1.99 1.95 1inlC1 GLU 147 HG2 0.00 -0.03 -0.33 -0.04 2.34 1.94 1inlC1 GLU 147 HG3 0.02 0.04 0.01 -0.04 2.34 2.36 1inlC1 ILE 148 H -0.08 0.23 0.14 -0.55 8.25 8.00 1inlC1 ILE 148 HA -0.15 0.20 1.03 -0.75 4.18 4.50 1inlC1 ILE 148 HB -0.18 0.01 0.13 -0.04 1.89 1.81 1inlC1 ILE 148 HG12 -0.39 -0.03 -0.02 -0.04 1.49 1.01 1inlC1 ILE 148 HG13 -0.21 0.10 -0.09 -0.04 1.21 0.97 1inlC1 ILE 148 HG23 -0.25 -0.03 -0.14 -0.04 0.93 0.47 1inlC1 ILE 148 HD13 -0.77 -0.02 -0.02 -0.04 0.88 0.02 1inlC1 VAL 149 H -0.15 0.74 0.36 -0.55 8.24 8.63 1inlC1 VAL 149 HA -0.09 0.18 0.89 -0.75 4.13 4.34 1inlC1 VAL 149 HB -0.40 -0.05 0.00 -0.04 2.12 1.63 1inlC1 VAL 149 HG13 -0.30 -0.01 -0.26 -0.04 0.97 0.35 1inlC1 VAL 149 HG23 -0.05 0.03 -0.26 -0.04 0.95 0.63 1inlC1 ILE 150 H -0.07 0.23 0.07 -0.55 8.25 7.93 1inlC1 ILE 150 HA -0.07 0.40 0.91 -0.75 4.18 4.67 1inlC1 ILE 150 HB -0.03 0.02 0.20 -0.04 1.89 2.05 1inlC1 ILE 150 HG12 -0.06 0.06 -0.09 -0.04 1.49 1.35 1inlC1 ILE 150 HG13 -0.03 -0.04 -0.01 -0.04 1.21 1.09 1inlC1 ILE 150 HG23 -0.01 -0.04 -0.12 -0.04 0.93 0.72 1inlC1 ILE 150 HD13 -0.07 -0.01 -0.22 -0.04 0.88 0.54 1inlC1 ALA 151 H -0.07 0.41 -0.04 -0.55 8.40 8.16 1inlC1 ALA 151 HA 0.01 0.10 0.43 -0.75 4.34 4.12 1inlC1 ALA 151 HB3 -0.02 0.05 -0.19 -0.04 1.41 1.21 1inlC1 ASN 152 H 0.04 0.23 0.09 -0.55 8.53 8.36 1inlC1 ASN 152 HA 0.03 0.03 0.62 -0.75 4.76 4.68 1inlC1 ASN 152 HB2 0.02 0.09 0.12 -0.04 2.88 3.07 1inlC1 ASN 152 HB3 0.03 0.03 0.18 -0.04 2.79 2.99 1inlC1 ASN 152 HD21 0.03 0.02 0.01 -0.04 7.03 7.05 1inlC1 ASN 152 HD22 0.03 0.05 0.03 -0.04 7.74 7.81 1inlC1 GLY 153 H 0.02 0.15 0.13 -0.55 8.43 8.18 1inlC1 GLY 153 HA2 0.17 0.12 0.25 -0.51 4.01 4.05 1inlC1 GLY 153 HA3 0.07 0.09 0.28 -0.51 4.01 3.94 1inlC1 ALA 154 H -0.03 0.01 -0.24 -0.55 8.40 7.60 1inlC1 ALA 154 HA 0.39 0.17 0.40 -0.75 4.34 4.55 1inlC1 ALA 154 HB3 -0.05 0.01 -0.02 -0.04 1.41 1.31 1inlC1 GLU 155 H 0.09 0.06 -0.30 -0.55 8.60 7.91 1inlC1 GLU 155 HA 0.07 0.17 0.56 -0.75 4.29 4.34 1inlC1 GLU 155 HB2 0.09 0.01 0.09 -0.04 2.09 2.24 1inlC1 GLU 155 HB3 0.05 0.07 0.01 -0.04 1.99 2.08 1inlC1 GLU 155 HG2 0.01 0.08 -0.04 -0.04 2.34 2.35 1inlC1 GLU 155 HG3 0.00 -0.16 -0.02 -0.04 2.34 2.12 1inlC1 TYR 156 H 0.26 0.41 -0.08 -0.55 8.29 8.33 1inlC1 TYR 156 HA 0.11 0.08 0.31 -0.75 4.56 4.30 1inlC1 TYR 156 HB2 0.10 -0.08 -0.12 -0.04 3.06 2.92 1inlC1 TYR 156 HB3 0.14 -0.01 -0.04 -0.04 2.98 3.04 1inlC1 TYR 156 HD2 0.14 -0.01 -0.17 -0.04 7.15 7.07 1inlC1 TYR 156 HE2 0.13 0.02 -0.13 -0.04 6.85 6.82 1inlC1 VAL 157 H 0.31 0.47 -0.15 -0.55 8.24 8.32 1inlC1 VAL 157 HA 0.30 0.05 0.30 -0.75 4.13 4.02 1inlC1 VAL 157 HB 0.28 -0.05 0.03 -0.04 2.12 2.34 1inlC1 VAL 157 HG13 0.19 0.02 -0.13 -0.04 0.97 1.00 1inlC1 VAL 157 HG23 0.10 0.03 -0.12 -0.04 0.95 0.91 1inlC1 ARG 158 H 0.12 0.15 -0.57 -0.55 8.46 7.61 1inlC1 ARG 158 HA 0.06 0.12 0.34 -0.75 4.34 4.11 1inlC1 ARG 158 HB2 0.02 0.13 0.02 -0.04 1.90 2.03 1inlC1 ARG 158 HB3 0.02 -0.04 0.06 -0.04 1.80 1.79 1inlC1 ARG 158 HG2 0.07 -0.04 0.03 -0.04 1.67 1.69 1inlC1 ARG 158 HG3 0.11 0.29 0.13 -0.04 1.67 2.16 1inlC1 ARG 158 HD2 0.07 -0.07 -0.01 -0.04 3.22 3.17 1inlC1 ARG 158 HD3 0.04 -0.05 0.03 -0.04 3.22 3.20 1inlC1 LYS 159 H -0.12 0.37 -0.46 -0.55 8.42 7.66 1inlC1 LYS 159 HA -0.23 0.03 0.46 -0.75 4.32 3.83 1inlC1 LYS 159 HB2 -0.97 0.12 0.03 -0.04 1.87 1.00 1inlC1 LYS 159 HB3 -0.61 -0.07 0.10 -0.04 1.79 1.16 1inlC1 LYS 159 HG2 -0.16 -0.06 -0.01 -0.04 1.46 1.19 1inlC1 LYS 159 HG3 -0.15 0.13 0.06 -0.04 1.46 1.46 1inlC1 LYS 159 HD2 -0.25 0.01 0.01 -0.04 1.69 1.42 1inlC1 LYS 159 HD3 -0.18 -0.03 -0.01 -0.04 1.68 1.41 1inlC1 LYS 159 HE2 0.07 -0.03 -0.15 -0.04 2.99 2.84 1inlC1 LYS 159 HE3 0.11 -0.07 -0.06 -0.04 2.99 2.93 1inlC1 PHE 160 H 0.05 0.42 -0.43 -0.55 8.34 7.83 1inlC1 PHE 160 HA -0.05 0.15 0.95 -0.75 4.62 4.92 1inlC1 PHE 160 HB2 0.16 0.07 0.02 -0.04 3.15 3.36 1inlC1 PHE 160 HB3 -0.05 -0.03 -0.04 -0.04 3.06 2.89 1inlC1 PHE 160 HD2 -0.11 0.05 -0.06 -0.04 7.28 7.12 1inlC1 PHE 160 HE2 -0.76 -0.04 -0.12 -0.04 7.38 6.42 1inlC1 PHE 160 HZ -0.09 -0.06 -0.11 -0.04 7.32 7.02 1inlC1 LYS 161 H 0.09 0.24 0.08 -0.55 8.42 8.28 1inlC1 LYS 161 HA 0.07 0.33 0.68 -0.75 4.32 4.64 1inlC1 LYS 161 HB2 0.01 -0.07 0.03 -0.04 1.87 1.80 1inlC1 LYS 161 HB3 0.02 0.02 0.00 -0.04 1.79 1.79 1inlC1 LYS 161 HG2 0.01 0.03 -0.64 -0.04 1.46 0.82 1inlC1 LYS 161 HG3 0.00 -0.08 -0.12 -0.04 1.46 1.21 1inlC1 LYS 161 HD2 0.02 -0.04 0.00 -0.04 1.69 1.63 1inlC1 LYS 161 HD3 0.04 0.15 -0.02 -0.04 1.68 1.81 1inlC1 LYS 161 HE2 0.01 0.10 -0.05 -0.04 2.99 3.00 1inlC1 LYS 161 HE3 0.00 -0.08 -0.05 -0.04 2.99 2.82 1inlC1 ASN 162 H 0.03 0.71 0.16 -0.55 8.53 8.88 1inlC1 ASN 162 HA -0.01 0.16 -0.05 -0.75 4.76 4.11 1inlC1 ASN 162 HB2 -0.00 0.01 -0.07 -0.04 2.88 2.77 1inlC1 ASN 162 HB3 -0.01 0.10 -0.06 -0.04 2.79 2.78 1inlC1 ASN 162 HD21 -0.01 -0.07 0.06 -0.04 7.03 6.97 1inlC1 ASN 162 HD22 -0.01 0.02 0.05 -0.04 7.74 7.76 1inlC1 GLU 163 H -0.03 0.50 -0.19 -0.55 8.60 8.34 1inlC1 GLU 163 HA -0.18 0.18 0.94 -0.75 4.29 4.48 1inlC1 GLU 163 HB2 -0.11 0.00 -0.18 -0.04 2.09 1.76 1inlC1 GLU 163 HB3 -0.55 0.04 -0.03 -0.04 1.99 1.42 1inlC1 GLU 163 HG2 -0.98 -0.05 -0.12 -0.04 2.34 1.15 1inlC1 GLU 163 HG3 -0.89 -0.04 -0.17 -0.04 2.34 1.21 1inlC1 PHE 164 H 0.02 0.57 0.25 -0.55 8.34 8.63 1inlC1 PHE 164 HA -0.07 0.20 1.02 -0.75 4.62 5.01 1inlC1 PHE 164 HB2 -0.03 0.03 -0.11 -0.04 3.15 3.00 1inlC1 PHE 164 HB3 -0.06 0.03 0.00 -0.04 3.06 2.99 1inlC1 PHE 164 HD2 -0.09 0.05 -0.27 -0.04 7.28 6.93 1inlC1 PHE 164 HE2 -0.42 0.02 -0.15 -0.04 7.38 6.79 1inlC1 PHE 164 HZ -1.02 -0.02 -0.14 -0.04 7.32 6.10 1inlC1 ASP 165 H 0.07 0.60 0.41 -0.55 8.40 8.93 1inlC1 ASP 165 HA 0.03 0.06 0.77 -0.75 4.63 4.74 1inlC1 ASP 165 HB2 -0.24 0.05 0.21 -0.04 2.71 2.69 1inlC1 ASP 165 HB3 -0.92 0.03 0.06 -0.04 2.70 1.83 1inlC1 VAL 166 H 0.01 0.33 0.31 -0.55 8.24 8.34 1inlC1 VAL 166 HA 0.02 0.41 0.95 -0.75 4.13 4.75 1inlC1 VAL 166 HB -0.09 -0.10 0.02 -0.04 2.12 1.91 1inlC1 VAL 166 HG13 -0.06 -0.00 -0.27 -0.04 0.97 0.60 1inlC1 VAL 166 HG23 -0.16 -0.01 -0.27 -0.04 0.95 0.48 1inlC1 ILE 167 H 0.02 0.58 0.34 -0.55 8.25 8.64 1inlC1 ILE 167 HA -0.13 0.24 1.04 -0.75 4.18 4.57 1inlC1 ILE 167 HB 0.23 0.04 0.10 -0.04 1.89 2.22 1inlC1 ILE 167 HG12 -0.27 -0.03 0.02 -0.04 1.49 1.16 1inlC1 ILE 167 HG13 0.03 -0.04 -0.40 -0.04 1.21 0.76 1inlC1 ILE 167 HG23 0.04 -0.03 -0.14 -0.04 0.93 0.76 1inlC1 ILE 167 HD13 0.10 0.02 -0.10 -0.04 0.88 0.86 1inlC1 ILE 168 H -0.12 0.65 0.40 -0.55 8.25 8.63 1inlC1 ILE 168 HA -0.30 0.36 1.11 -0.75 4.18 4.59 1inlC1 ILE 168 HB -0.09 -0.08 0.09 -0.04 1.89 1.77 1inlC1 ILE 168 HG12 -0.11 0.12 -0.05 -0.04 1.49 1.41 1inlC1 ILE 168 HG13 -0.11 -0.06 -0.46 -0.04 1.21 0.53 1inlC1 ILE 168 HG23 -0.07 -0.04 -0.29 -0.04 0.93 0.50 1inlC1 ILE 168 HD13 -0.10 -0.01 -0.14 -0.04 0.88 0.58 1inlC1 ILE 169 H -0.26 0.72 0.40 -0.55 8.25 8.57 1inlC1 ILE 169 HA 0.04 0.10 1.08 -0.75 4.18 4.65 1inlC1 ILE 169 HB 0.05 -0.06 0.34 -0.04 1.89 2.17 1inlC1 ILE 169 HG12 -0.27 0.12 -0.02 -0.04 1.49 1.28 1inlC1 ILE 169 HG13 0.50 0.04 -0.01 -0.04 1.21 1.70 1inlC1 ILE 169 HG23 0.08 0.04 0.02 -0.04 0.93 1.03 1inlC1 ILE 169 HD13 0.29 -0.01 -0.22 -0.04 0.88 0.90 1inlC1 ASP 170 H 0.07 0.60 0.19 -0.55 8.40 8.71 1inlC1 ASP 170 HA 0.21 0.06 0.53 -0.75 4.63 4.68 1inlC1 ASP 170 HB2 0.11 0.10 -0.14 -0.04 2.71 2.75 1inlC1 ASP 170 HB3 0.15 -0.07 -0.26 -0.04 2.70 2.47 1inlC1 SER 171 H 0.27 0.02 0.16 -0.55 8.46 8.37 1inlC1 SER 171 HA 0.21 0.16 0.46 -0.75 4.49 4.57 1inlC1 SER 171 HB2 0.13 -0.16 0.18 -0.04 3.95 4.06 1inlC1 SER 171 HB3 0.08 0.02 0.03 -0.04 3.93 4.02 1inlC1 THR 172 H 0.24 0.33 0.12 -0.55 8.28 8.42 1inlC1 THR 172 HA 0.12 -0.04 0.75 -0.75 4.39 4.46 1inlC1 THR 172 HB 0.05 -0.10 0.01 -0.04 4.32 4.25 1inlC1 THR 172 HG23 0.06 0.06 -0.33 -0.04 1.22 0.96 1inlC1 ASP 173 H 0.11 0.07 0.12 -0.55 8.40 8.15 1inlC1 ASP 173 HA 0.08 0.02 0.38 -0.75 4.63 4.36 1inlC1 ASP 173 HB2 0.07 -0.06 -0.10 -0.04 2.71 2.58 1inlC1 ASP 173 HB3 0.09 0.15 0.13 -0.04 2.70 3.03 1inlC1 PRO 174 HA 0.41 0.15 0.41 -0.51 4.44 4.90 1inlC1 PRO 174 HB2 0.13 0.11 0.00 -0.04 2.28 2.48 1inlC1 PRO 174 HB3 0.13 0.01 0.06 -0.04 2.02 2.18 1inlC1 PRO 174 HG2 0.07 0.06 0.06 -0.04 2.03 2.18 1inlC1 PRO 174 HG3 0.04 0.07 0.03 -0.04 2.03 2.12 1inlC1 PRO 174 HD2 0.09 0.02 0.15 -0.04 3.68 3.90 1inlC1 PRO 174 HD3 0.12 0.04 -0.08 -0.04 3.65 3.69 1inlC1 THR 175 H 0.07 0.04 -0.21 -0.55 8.28 7.63 1inlC1 THR 175 HA 0.03 0.15 0.46 -0.75 4.39 4.28 1inlC1 THR 175 HB 0.00 0.07 0.10 -0.04 4.32 4.46 1inlC1 THR 175 HG23 0.04 -0.00 0.04 -0.04 1.22 1.26 1inlC1 ALA 176 H -0.03 0.26 -0.33 -0.55 8.40 7.75 1inlC1 ALA 176 HA -0.14 0.15 0.58 -0.75 4.34 4.17 1inlC1 ALA 176 HB3 -0.13 0.02 0.04 -0.04 1.41 1.31 1inlC1 GLY 177 H -0.36 0.23 -0.27 -0.55 8.43 7.48 1inlC1 GLY 177 HA2 -2.38 0.07 0.32 -0.51 4.01 1.51 1inlC1 GLY 177 HA3 -0.91 0.02 0.36 -0.51 4.01 2.97 1inlC1 GLN 178 H -1.16 0.12 0.19 -0.55 8.47 7.07 1inlC1 GLN 178 HA -1.22 0.12 0.38 -0.75 4.36 2.89 1inlC1 GLN 178 HB2 -0.20 0.11 0.13 -0.04 2.15 2.14 1inlC1 GLN 178 HB3 -0.51 -0.12 0.15 -0.04 2.02 1.49 1inlC1 GLN 178 HG2 -0.34 -0.08 0.06 -0.04 2.40 2.00 1inlC1 GLN 178 HG3 -0.20 0.08 -0.25 -0.04 2.39 1.99 1inlC1 GLN 178 HE21 -0.03 0.01 -0.05 -0.04 6.97 6.85 1inlC1 GLN 178 HE22 -0.08 0.03 -0.05 -0.04 7.69 7.54 1inlC1 GLY 179 H -0.42 0.22 -0.33 -0.55 8.43 7.35 1inlC1 GLY 179 HA2 -0.11 0.13 0.56 -0.51 4.01 4.08 1inlC1 GLY 179 HA3 -0.17 -0.01 0.29 -0.51 4.01 3.61 1inlC1 GLY 180 H -0.22 0.40 -0.49 -0.55 8.43 7.58 1inlC1 GLY 180 HA2 -0.25 -0.01 0.38 -0.51 4.01 3.62 1inlC1 GLY 180 HA3 0.03 0.06 0.21 -0.51 4.01 3.79 1inlC1 HIS 181 H -0.36 0.10 0.14 -0.55 8.41 7.74 1inlC1 HIS 181 HA -0.03 0.17 0.36 -0.75 4.63 4.38 1inlC1 HIS 181 HB2 -0.09 -0.09 0.06 -0.04 3.26 3.11 1inlC1 HIS 181 HB3 -0.08 0.01 0.09 -0.04 3.20 3.18 1inlC1 HIS 181 HD2 -0.01 0.07 -0.00 -0.04 6.97 6.98 1inlC1 HIS 181 HE1 -0.00 0.01 0.02 -0.04 7.75 7.74 1inlC1 LEU 182 H -0.07 0.08 -0.36 -0.55 8.37 7.48 1inlC1 LEU 182 HA -1.09 0.18 0.76 -0.75 4.35 3.45 1inlC1 LEU 182 HB2 -0.33 0.05 -0.00 -0.04 1.64 1.31 1inlC1 LEU 182 HB3 -0.60 0.11 0.12 -0.04 1.64 1.23 1inlC1 LEU 182 HG -0.22 -0.12 -0.08 -0.04 1.64 1.18 1inlC1 LEU 182 HD13 -0.15 -0.00 -0.05 -0.04 0.93 0.68 1inlC1 LEU 182 HD23 -1.02 -0.01 -0.20 -0.04 0.89 -0.39 1inlC1 PHE 183 H 0.05 0.34 -0.47 -0.55 8.34 7.70 1inlC1 PHE 183 HA 0.11 0.22 0.76 -0.75 4.62 4.96 1inlC1 PHE 183 HB2 0.09 0.13 -0.04 -0.04 3.15 3.29 1inlC1 PHE 183 HB3 0.26 0.02 0.14 -0.04 3.06 3.43 1inlC1 PHE 183 HD2 0.32 -0.05 -0.10 -0.04 7.28 7.41 1inlC1 PHE 183 HE2 0.34 0.04 -0.04 -0.04 7.38 7.69 1inlC1 PHE 183 HZ 0.25 -0.05 -0.06 -0.04 7.32 7.42 1inlC1 THR 184 H -0.05 0.09 -0.14 -0.55 8.28 7.63 1inlC1 THR 184 HA 0.11 0.28 0.73 -0.75 4.39 4.76 1inlC1 THR 184 HB 0.07 -0.06 0.11 -0.04 4.32 4.40 1inlC1 THR 184 HG23 0.08 0.03 -0.04 -0.04 1.22 1.25 1inlC1 GLU 185 H 0.11 0.20 0.16 -0.55 8.60 8.53 1inlC1 GLU 185 HA 0.26 0.19 0.36 -0.75 4.29 4.34 1inlC1 GLU 185 HB2 0.10 0.06 0.13 -0.04 2.09 2.34 1inlC1 GLU 185 HB3 0.06 -0.06 0.09 -0.04 1.99 2.04 1inlC1 GLU 185 HG2 0.02 -0.04 -0.14 -0.04 2.34 2.14 1inlC1 GLU 185 HG3 0.06 0.16 0.03 -0.04 2.34 2.54 1inlC1 GLU 186 H 0.06 0.05 -0.14 -0.55 8.60 8.03 1inlC1 GLU 186 HA 0.03 0.14 0.35 -0.75 4.29 4.05 1inlC1 GLU 186 HB2 0.04 0.02 0.07 -0.04 2.09 2.19 1inlC1 GLU 186 HB3 0.07 -0.06 0.03 -0.04 1.99 1.98 1inlC1 GLU 186 HG2 0.06 0.03 -0.20 -0.04 2.34 2.18 1inlC1 GLU 186 HG3 0.03 0.05 0.01 -0.04 2.34 2.39 1inlC1 PHE 187 H 0.12 0.05 -0.34 -0.55 8.34 7.61 1inlC1 PHE 187 HA -0.01 0.09 0.43 -0.75 4.62 4.38 1inlC1 PHE 187 HB2 -0.08 0.03 0.13 -0.04 3.15 3.20 1inlC1 PHE 187 HB3 -0.31 0.09 0.04 -0.04 3.06 2.84 1inlC1 PHE 187 HD2 -0.31 0.07 -0.12 -0.04 7.28 6.88 1inlC1 PHE 187 HE2 0.07 0.08 -0.17 -0.04 7.38 7.32 1inlC1 PHE 187 HZ 0.07 -0.02 -0.11 -0.04 7.32 7.22 1inlC1 TYR 188 H -0.09 0.48 -0.18 -0.55 8.29 7.95 1inlC1 TYR 188 HA -0.24 0.01 0.35 -0.75 4.56 3.93 1inlC1 TYR 188 HB2 0.01 0.10 0.03 -0.04 3.06 3.17 1inlC1 TYR 188 HB3 0.01 0.03 -0.02 -0.04 2.98 2.96 1inlC1 TYR 188 HD2 0.08 -0.04 -0.26 -0.04 7.15 6.90 1inlC1 TYR 188 HE2 0.34 0.02 -0.13 -0.04 6.85 7.04 1inlC1 GLN 189 H 0.02 0.49 -0.30 -0.55 8.47 8.13 1inlC1 GLN 189 HA -0.15 0.08 0.40 -0.75 4.36 3.93 1inlC1 GLN 189 HB2 -0.06 0.05 0.07 -0.04 2.15 2.17 1inlC1 GLN 189 HB3 -0.03 0.07 0.10 -0.04 2.02 2.12 1inlC1 GLN 189 HG2 -0.08 -0.05 -0.02 -0.04 2.40 2.21 1inlC1 GLN 189 HG3 -0.06 -0.02 -0.12 -0.04 2.39 2.15 1inlC1 GLN 189 HE21 -0.58 0.08 0.02 -0.04 6.97 6.44 1inlC1 GLN 189 HE22 -0.11 -0.05 0.03 -0.04 7.69 7.52 1inlC1 ALA 190 H -0.05 0.38 -0.24 -0.55 8.40 7.95 1inlC1 ALA 190 HA 0.02 0.06 0.41 -0.75 4.34 4.07 1inlC1 ALA 190 HB3 0.01 0.01 0.05 -0.04 1.41 1.44 1inlC1 CYS 191 H -0.16 0.40 -0.32 -0.55 8.50 7.87 1inlC1 CYS 191 HA 0.03 -0.00 0.37 -0.75 4.58 4.21 1inlC1 CYS 191 HB2 -0.00 0.18 0.11 -0.04 2.97 3.23 1inlC1 CYS 191 HB3 0.22 -0.03 -0.08 -0.04 2.97 3.04 1inlC1 TYR 192 H 0.02 0.52 -0.14 -0.55 8.29 8.13 1inlC1 TYR 192 HA -0.12 0.00 0.29 -0.75 4.56 3.99 1inlC1 TYR 192 HB2 -0.97 -0.00 0.04 -0.04 3.06 2.09 1inlC1 TYR 192 HB3 -0.32 0.11 0.17 -0.04 2.98 2.90 1inlC1 TYR 192 HD2 -0.87 -0.02 -0.25 -0.04 7.15 5.97 1inlC1 TYR 192 HE2 -0.16 -0.03 -0.01 -0.04 6.85 6.60 1inlC1 ASP 193 H 0.10 0.54 -0.19 -0.55 8.40 8.30 1inlC1 ASP 193 HA 0.09 0.04 0.41 -0.75 4.63 4.42 1inlC1 ASP 193 HB2 0.06 0.09 0.14 -0.04 2.71 2.95 1inlC1 ASP 193 HB3 0.05 -0.07 0.09 -0.04 2.70 2.73 1inlC1 ALA 194 H 0.09 0.38 -0.36 -0.55 8.40 7.96 1inlC1 ALA 194 HA 0.15 -0.03 0.30 -0.75 4.34 4.00 1inlC1 ALA 194 HB3 0.27 0.02 0.05 -0.04 1.41 1.70 1inlC1 LEU 195 H 0.05 0.44 -0.34 -0.55 8.37 7.97 1inlC1 LEU 195 HA 0.13 0.01 0.68 -0.75 4.35 4.41 1inlC1 LEU 195 HB2 -0.05 0.22 0.10 -0.04 1.64 1.87 1inlC1 LEU 195 HB3 0.03 -0.02 0.02 -0.04 1.64 1.63 1inlC1 LEU 195 HG 0.16 0.06 -0.13 -0.04 1.64 1.69 1inlC1 LEU 195 HD13 0.24 -0.03 -0.30 -0.04 0.93 0.80 1inlC1 LEU 195 HD23 0.13 -0.05 -0.29 -0.04 0.89 0.64 1inlC1 LYS 196 H 0.05 0.57 0.24 -0.55 8.42 8.72 1inlC1 LYS 196 HA -0.01 0.10 0.47 -0.75 4.32 4.13 1inlC1 LYS 196 HB2 0.06 -0.01 0.01 -0.04 1.87 1.89 1inlC1 LYS 196 HB3 0.02 -0.13 0.10 -0.04 1.79 1.74 1inlC1 LYS 196 HG2 -0.01 0.12 -0.32 -0.04 1.46 1.21 1inlC1 LYS 196 HG3 -0.00 0.05 -0.46 -0.04 1.46 1.01 1inlC1 LYS 196 HD2 0.03 -0.07 -0.15 -0.04 1.69 1.46 1inlC1 LYS 196 HD3 0.01 -0.05 -0.06 -0.04 1.68 1.55 1inlC1 LYS 196 HE2 -0.06 0.17 -0.21 -0.04 2.99 2.85 1inlC1 LYS 196 HE3 -0.02 -0.07 -0.04 -0.04 2.99 2.82 1inlC1 GLU 197 H -0.00 0.12 0.14 -0.55 8.60 8.31 1inlC1 GLU 197 HA -0.05 0.15 0.39 -0.75 4.29 4.03 1inlC1 GLU 197 HB2 -0.01 0.01 0.16 -0.04 2.09 2.21 1inlC1 GLU 197 HB3 0.00 -0.04 0.10 -0.04 1.99 2.00 1inlC1 GLU 197 HG2 -0.00 0.03 -0.08 -0.04 2.34 2.25 1inlC1 GLU 197 HG3 -0.00 0.03 0.10 -0.04 2.34 2.42 1inlC1 ASP 198 H 0.03 0.02 -0.30 -0.55 8.40 7.60 1inlC1 ASP 198 HA 0.01 0.20 0.85 -0.75 4.63 4.94 1inlC1 ASP 198 HB2 -0.05 0.01 0.17 -0.04 2.71 2.80 1inlC1 ASP 198 HB3 -0.01 -0.00 -0.04 -0.04 2.70 2.61 1inlC1 GLY 199 H 0.04 0.47 -0.29 -0.55 8.43 8.10 1inlC1 GLY 199 HA2 0.25 0.14 0.56 -0.51 4.01 4.45 1inlC1 GLY 199 HA3 0.10 0.03 0.35 -0.51 4.01 3.98 1inlC1 VAL 200 H 0.17 0.56 0.44 -0.55 8.24 8.86 1inlC1 VAL 200 HA -0.01 0.19 1.07 -0.75 4.13 4.62 1inlC1 VAL 200 HB 0.20 -0.02 0.17 -0.04 2.12 2.42 1inlC1 VAL 200 HG13 0.27 0.01 -0.13 -0.04 0.97 1.08 1inlC1 VAL 200 HG23 0.22 0.04 -0.02 -0.04 0.95 1.15 1inlC1 PHE 201 H -0.30 0.53 0.43 -0.55 8.34 8.45 1inlC1 PHE 201 HA -0.11 0.25 1.01 -0.75 4.62 5.02 1inlC1 PHE 201 HB2 -0.24 0.03 -0.30 -0.04 3.15 2.60 1inlC1 PHE 201 HB3 -0.72 0.03 -0.05 -0.04 3.06 2.28 1inlC1 PHE 201 HD2 -0.21 -0.03 -0.22 -0.04 7.28 6.78 1inlC1 PHE 201 HE2 -0.05 -0.05 -0.15 -0.04 7.38 7.09 1inlC1 PHE 201 HZ 0.25 -0.05 -0.10 -0.04 7.32 7.39 1inlC1 SER 202 H -0.66 0.54 0.49 -0.55 8.46 8.29 1inlC1 SER 202 HA -0.02 0.39 0.81 -0.75 4.49 4.92 1inlC1 SER 202 HB2 0.20 -0.03 0.12 -0.04 3.95 4.19 1inlC1 SER 202 HB3 0.14 0.01 -0.01 -0.04 3.93 4.02 1inlC1 ALA 203 H 0.01 0.43 0.31 -0.55 8.40 8.60 1inlC1 ALA 203 HA -0.08 0.11 0.86 -0.75 4.34 4.48 1inlC1 ALA 203 HB3 0.08 0.03 0.03 -0.04 1.41 1.51 1inlC1 GLU 204 H 0.15 0.56 0.30 -0.55 8.60 9.07 1inlC1 GLU 204 HA 0.14 0.12 0.78 -0.75 4.29 4.57 1inlC1 GLU 204 HB2 0.61 -0.04 0.14 -0.04 2.09 2.76 1inlC1 GLU 204 HB3 0.39 -0.02 0.16 -0.04 1.99 2.48 1inlC1 GLU 204 HG2 0.38 -0.19 -0.13 -0.04 2.34 2.36 1inlC1 GLU 204 HG3 0.27 0.19 0.05 -0.04 2.34 2.81 1inlC1 THR 205 H -0.25 0.63 0.19 -0.55 8.28 8.30 1inlC1 THR 205 HA -0.02 0.21 0.91 -0.75 4.39 4.74 1inlC1 THR 205 HB 0.07 -0.00 0.13 -0.04 4.32 4.48 1inlC1 THR 205 HG23 0.17 0.03 -0.31 -0.04 1.22 1.07 1inlC1 GLU 206 H -0.58 0.03 -0.10 -0.55 8.60 7.40 1inlC1 GLU 206 HA -1.84 -0.04 0.34 -0.75 4.29 2.01 1inlC1 GLU 206 HB2 -0.76 0.26 -0.14 -0.04 2.09 1.41 1inlC1 GLU 206 HB3 -0.84 -0.16 0.17 -0.04 1.99 1.12 1inlC1 GLU 206 HG2 -1.26 0.02 -0.33 -0.04 2.34 0.73 1inlC1 GLU 206 HG3 -2.91 -0.01 -0.15 -0.04 2.34 -0.76 1inlC1 ASP 207 H -1.12 0.03 0.19 -0.55 8.40 6.95 1inlC1 ASP 207 HA -0.77 0.39 0.83 -0.75 4.63 4.33 1inlC1 ASP 207 HB2 -0.12 0.05 0.12 -0.04 2.71 2.71 1inlC1 ASP 207 HB3 -0.21 0.09 0.15 -0.04 2.70 2.68 1inlC1 PRO 208 HA -0.30 0.07 0.37 -0.51 4.44 4.06 1inlC1 PRO 208 HB2 -0.39 0.01 0.15 -0.04 2.28 2.01 1inlC1 PRO 208 HB3 -1.60 0.10 0.03 -0.04 2.02 0.51 1inlC1 PRO 208 HG2 -0.22 -0.02 -0.06 -0.04 2.03 1.69 1inlC1 PRO 208 HG3 -0.60 0.08 -0.04 -0.04 2.03 1.43 1inlC1 PRO 208 HD2 -0.41 0.30 0.12 -0.04 3.68 3.65 1inlC1 PRO 208 HD3 -0.80 0.27 0.10 -0.04 3.65 3.18 1inlC1 PHE 209 H -0.05 0.17 -0.71 -0.55 8.34 7.20 1inlC1 PHE 209 HA -0.14 0.24 0.73 -0.75 4.62 4.70 1inlC1 PHE 209 HB2 -0.18 0.09 -0.20 -0.04 3.15 2.82 1inlC1 PHE 209 HB3 -0.35 -0.22 0.10 -0.04 3.06 2.55 1inlC1 PHE 209 HD2 -0.90 -0.01 0.02 -0.04 7.28 6.36 1inlC1 PHE 209 HE2 -0.34 0.00 -0.01 -0.04 7.38 6.99 1inlC1 PHE 209 HZ -0.16 0.02 -0.01 -0.04 7.32 7.13 1inlC1 TYR 210 H 0.02 0.14 0.10 -0.55 8.29 8.01 1inlC1 TYR 210 HA -0.12 0.19 0.47 -0.75 4.56 4.35 1inlC1 TYR 210 HB2 0.02 -0.05 0.13 -0.04 3.06 3.11 1inlC1 TYR 210 HB3 0.06 0.07 0.16 -0.04 2.98 3.23 1inlC1 TYR 210 HD2 -0.01 0.05 -0.02 -0.04 7.15 7.12 1inlC1 TYR 210 HE2 0.12 -0.02 -0.03 -0.04 6.85 6.88 1inlC1 ASP 211 H 0.02 0.14 -0.11 -0.55 8.40 7.90 1inlC1 ASP 211 HA 0.14 0.19 0.89 -0.75 4.63 5.10 1inlC1 ASP 211 HB2 -0.14 0.09 0.22 -0.04 2.71 2.84 1inlC1 ASP 211 HB3 0.19 -0.05 0.22 -0.04 2.70 3.01 1inlC1 ILE 212 H 0.02 0.35 -0.33 -0.55 8.25 7.75 1inlC1 ILE 212 HA 0.11 0.07 0.26 -0.75 4.18 3.87 1inlC1 ILE 212 HB 0.02 0.10 -0.12 -0.04 1.89 1.85 1inlC1 ILE 212 HG12 0.09 0.05 -0.05 -0.04 1.49 1.54 1inlC1 ILE 212 HG13 0.14 -0.01 -0.16 -0.04 1.21 1.14 1inlC1 ILE 212 HG23 0.02 0.02 -0.03 -0.04 0.93 0.90 1inlC1 ILE 212 HD13 0.19 0.04 -0.00 -0.04 0.88 1.07 1inlC1 GLY 213 H 0.09 0.11 -0.17 -0.55 8.43 7.91 1inlC1 GLY 213 HA2 0.08 0.15 0.38 -0.51 4.01 4.11 1inlC1 GLY 213 HA3 0.08 0.05 0.27 -0.51 4.01 3.90 1inlC1 TRP 214 H 0.27 0.08 -0.21 -0.55 7.97 7.56 1inlC1 TRP 214 HA -0.09 0.05 0.44 -0.75 4.62 4.27 1inlC1 TRP 214 HB2 -0.10 -0.10 0.13 -0.04 3.23 3.12 1inlC1 TRP 214 HB3 -0.09 0.17 0.12 -0.04 3.23 3.39 1inlC1 TRP 214 HD1 -0.35 0.02 0.02 -0.04 7.22 6.87 1inlC1 TRP 214 HE1 -2.80 0.09 -0.16 -0.04 10.20 7.28 1inlC1 TRP 214 HE3 -0.09 -0.01 0.06 -0.04 7.59 7.51 1inlC1 TRP 214 HZ2 -0.21 0.08 -0.10 -0.04 7.44 7.17 1inlC1 TRP 214 HZ3 -0.03 0.03 0.09 -0.04 7.13 7.18 1inlC1 TRP 214 HH2 -0.00 -0.01 0.09 -0.04 7.19 7.22 1inlC1 PHE 215 H 0.20 0.44 -0.15 -0.55 8.34 8.29 1inlC1 PHE 215 HA -0.17 0.20 0.40 -0.75 4.62 4.29 1inlC1 PHE 215 HB2 -0.28 0.02 -0.13 -0.04 3.15 2.72 1inlC1 PHE 215 HB3 -0.11 0.03 0.08 -0.04 3.06 3.02 1inlC1 PHE 215 HD2 -0.17 0.10 -0.02 -0.04 7.28 7.15 1inlC1 PHE 215 HE2 -0.19 -0.00 -0.06 -0.04 7.38 7.09 1inlC1 PHE 215 HZ -0.24 0.01 -0.08 -0.04 7.32 6.97 1inlC1 LYS 216 H 0.06 0.49 -0.15 -0.55 8.42 8.27 1inlC1 LYS 216 HA -0.38 0.05 0.36 -0.75 4.32 3.59 1inlC1 LYS 216 HB2 0.03 0.04 0.16 -0.04 1.87 2.05 1inlC1 LYS 216 HB3 -0.01 0.01 0.00 -0.04 1.79 1.75 1inlC1 LYS 216 HG2 -0.05 0.09 -0.04 -0.04 1.46 1.42 1inlC1 LYS 216 HG3 0.09 0.06 0.06 -0.04 1.46 1.63 1inlC1 LYS 216 HD2 0.07 -0.07 -0.03 -0.04 1.69 1.62 1inlC1 LYS 216 HD3 0.06 -0.11 -0.08 -0.04 1.68 1.51 1inlC1 LYS 216 HE2 0.02 -0.04 0.01 -0.04 2.99 2.94 1inlC1 LYS 216 HE3 0.02 0.31 0.09 -0.04 2.99 3.36 1inlC1 LEU 217 H 0.08 0.46 -0.15 -0.55 8.37 8.21 1inlC1 LEU 217 HA 0.07 0.02 0.46 -0.75 4.35 4.15 1inlC1 LEU 217 HB2 0.07 -0.02 0.13 -0.04 1.64 1.78 1inlC1 LEU 217 HB3 0.16 0.05 0.23 -0.04 1.64 2.03 1inlC1 LEU 217 HG 0.12 -0.05 0.03 -0.04 1.64 1.70 1inlC1 LEU 217 HD13 0.02 -0.04 -0.00 -0.04 0.93 0.87 1inlC1 LEU 217 HD23 0.23 0.02 -0.13 -0.04 0.89 0.97 1inlC1 ALA 218 H 0.18 0.57 -0.10 -0.55 8.40 8.51 1inlC1 ALA 218 HA 0.43 0.03 0.42 -0.75 4.34 4.46 1inlC1 ALA 218 HB3 0.33 0.02 0.09 -0.04 1.41 1.81 1inlC1 TYR 219 H 0.00 0.54 -0.09 -0.55 8.29 8.19 1inlC1 TYR 219 HA -0.09 -0.01 0.35 -0.75 4.56 4.05 1inlC1 TYR 219 HB2 -0.35 -0.03 0.06 -0.04 3.06 2.70 1inlC1 TYR 219 HB3 -0.33 0.11 0.14 -0.04 2.98 2.86 1inlC1 TYR 219 HD2 -0.09 -0.01 -0.09 -0.04 7.15 6.92 1inlC1 TYR 219 HE2 -0.01 0.07 -0.08 -0.04 6.85 6.79 1inlC1 ARG 220 H 0.04 0.59 -0.16 -0.55 8.46 8.38 1inlC1 ARG 220 HA -0.18 0.05 0.38 -0.75 4.34 3.83 1inlC1 ARG 220 HB2 0.05 0.11 0.14 -0.04 1.90 2.15 1inlC1 ARG 220 HB3 0.03 0.02 0.14 -0.04 1.80 1.96 1inlC1 ARG 220 HG2 -0.00 -0.03 -0.12 -0.04 1.67 1.48 1inlC1 ARG 220 HG3 0.00 0.02 0.03 -0.04 1.67 1.68 1inlC1 ARG 220 HD2 0.02 -0.03 -0.02 -0.04 3.22 3.15 1inlC1 ARG 220 HD3 0.03 0.01 -0.01 -0.04 3.22 3.21 1inlC1 ARG 221 H 0.05 0.61 -0.11 -0.55 8.46 8.46 1inlC1 ARG 221 HA 0.05 0.02 0.47 -0.75 4.34 4.13 1inlC1 ARG 221 HB2 0.35 0.14 0.08 -0.04 1.90 2.43 1inlC1 ARG 221 HB3 0.36 -0.16 -0.11 -0.04 1.80 1.85 1inlC1 ARG 221 HG2 0.12 -0.10 0.03 -0.04 1.67 1.68 1inlC1 ARG 221 HG3 0.13 0.12 0.09 -0.04 1.67 1.96 1inlC1 ARG 221 HD2 0.28 0.20 0.04 -0.04 3.22 3.70 1inlC1 ARG 221 HD3 0.22 -0.27 0.08 -0.04 3.22 3.22 1inlC1 ILE 222 H -0.19 0.63 -0.10 -0.55 8.25 8.04 1inlC1 ILE 222 HA -0.36 -0.03 0.41 -0.75 4.18 3.44 1inlC1 ILE 222 HB -0.26 0.11 0.09 -0.04 1.89 1.79 1inlC1 ILE 222 HG12 -1.36 -0.08 -0.04 -0.04 1.49 -0.04 1inlC1 ILE 222 HG13 -0.85 0.11 0.05 -0.04 1.21 0.47 1inlC1 ILE 222 HG23 -0.33 -0.01 -0.15 -0.04 0.93 0.40 1inlC1 ILE 222 HD13 -0.01 -0.03 -0.15 -0.04 0.88 0.65 1inlC1 SER 223 H -0.30 0.58 -0.20 -0.55 8.46 7.99 1inlC1 SER 223 HA -0.14 0.10 0.31 -0.75 4.49 4.01 1inlC1 SER 223 HB2 -0.25 -0.03 0.07 -0.04 3.95 3.70 1inlC1 SER 223 HB3 -0.69 -0.02 0.08 -0.04 3.93 3.26 1inlC1 LYS 224 H -0.09 0.25 -0.51 -0.55 8.42 7.51 1inlC1 LYS 224 HA -0.07 0.07 0.53 -0.75 4.32 4.09 1inlC1 LYS 224 HB2 -0.03 0.10 0.10 -0.04 1.87 2.01 1inlC1 LYS 224 HB3 -0.04 -0.10 0.06 -0.04 1.79 1.66 1inlC1 LYS 224 HG2 -0.04 -0.03 0.01 -0.04 1.46 1.37 1inlC1 LYS 224 HG3 -0.04 0.33 0.06 -0.04 1.46 1.77 1inlC1 LYS 224 HD2 0.00 -0.07 0.00 -0.04 1.69 1.58 1inlC1 LYS 224 HD3 -0.02 -0.04 0.01 -0.04 1.68 1.59 1inlC1 LYS 224 HE2 0.00 -0.08 -0.02 -0.04 2.99 2.85 1inlC1 LYS 224 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.94 1inlC1 VAL 225 H -0.07 0.34 -0.34 -0.55 8.24 7.62 1inlC1 VAL 225 HA -0.27 0.11 0.82 -0.75 4.13 4.03 1inlC1 VAL 225 HB -0.09 0.09 0.09 -0.04 2.12 2.17 1inlC1 VAL 225 HG13 -0.66 -0.01 -0.25 -0.04 0.97 0.01 1inlC1 VAL 225 HG23 -0.06 -0.02 -0.11 -0.04 0.95 0.72 1inlC1 PHE 226 H 0.12 0.50 0.12 -0.55 8.34 8.53 1inlC1 PHE 226 HA 0.05 0.17 0.77 -0.75 4.62 4.86 1inlC1 PHE 226 HB2 -0.14 0.00 0.03 -0.04 3.15 3.00 1inlC1 PHE 226 HB3 -0.06 0.10 0.09 -0.04 3.06 3.15 1inlC1 PHE 226 HD2 -0.17 0.10 -0.10 -0.04 7.28 7.07 1inlC1 PHE 226 HE2 -0.37 -0.01 -0.15 -0.04 7.38 6.81 1inlC1 PHE 226 HZ -0.33 -0.05 -0.24 -0.04 7.32 6.65 1inlC1 PRO 227 HA 0.03 0.09 0.39 -0.51 4.44 4.45 1inlC1 PRO 227 HB2 0.06 -0.03 -0.05 -0.04 2.28 2.21 1inlC1 PRO 227 HB3 0.05 -0.00 0.08 -0.04 2.02 2.11 1inlC1 PRO 227 HG2 0.13 -0.02 0.07 -0.04 2.03 2.17 1inlC1 PRO 227 HG3 0.11 0.05 0.09 -0.04 2.03 2.25 1inlC1 PRO 227 HD2 0.27 0.16 0.33 -0.04 3.68 4.41 1inlC1 PRO 227 HD3 0.10 0.16 0.22 -0.04 3.65 4.10 1inlC1 ILE 228 H 0.14 0.36 -0.14 -0.55 8.25 8.06 1inlC1 ILE 228 HA 0.09 0.16 0.85 -0.75 4.18 4.53 1inlC1 ILE 228 HB 0.11 -0.12 -0.01 -0.04 1.89 1.83 1inlC1 ILE 228 HG12 0.09 -0.04 -0.37 -0.04 1.49 1.13 1inlC1 ILE 228 HG13 0.11 0.00 -0.43 -0.04 1.21 0.86 1inlC1 ILE 228 HG23 0.21 0.04 -0.19 -0.04 0.93 0.94 1inlC1 ILE 228 HD13 0.08 0.03 -0.10 -0.04 0.88 0.84 1inlC1 THR 229 H 0.10 0.28 0.06 -0.55 8.28 8.18 1inlC1 THR 229 HA 0.04 0.28 0.84 -0.75 4.39 4.80 1inlC1 THR 229 HB -0.06 0.00 0.07 -0.04 4.32 4.29 1inlC1 THR 229 HG23 -0.09 -0.02 -0.15 -0.04 1.22 0.92 1inlC1 ARG 230 H 0.32 0.77 0.26 -0.55 8.46 9.26 1inlC1 ARG 230 HA 0.32 0.13 0.93 -0.75 4.34 4.97 1inlC1 ARG 230 HB2 0.47 -0.04 0.03 -0.04 1.90 2.31 1inlC1 ARG 230 HB3 0.48 0.09 -0.03 -0.04 1.80 2.30 1inlC1 ARG 230 HG2 0.20 -0.01 -0.51 -0.04 1.67 1.32 1inlC1 ARG 230 HG3 0.10 -0.09 -0.08 -0.04 1.67 1.56 1inlC1 ARG 230 HD2 0.20 0.02 0.15 -0.04 3.22 3.56 1inlC1 ARG 230 HD3 0.13 0.03 0.05 -0.04 3.22 3.39 1inlC1 VAL 231 H 0.22 0.15 0.18 -0.55 8.24 8.23 1inlC1 VAL 231 HA 0.19 0.19 0.89 -0.75 4.13 4.65 1inlC1 VAL 231 HB 0.03 -0.02 0.13 -0.04 2.12 2.21 1inlC1 VAL 231 HG13 0.08 -0.01 -0.10 -0.04 0.97 0.90 1inlC1 VAL 231 HG23 -0.01 -0.01 -0.01 -0.04 0.95 0.88 1inlC1 TYR 232 H -0.11 0.63 0.44 -0.55 8.29 8.71 1inlC1 TYR 232 HA -0.41 0.35 0.68 -0.75 4.56 4.42 1inlC1 TYR 232 HB2 -0.87 -0.01 -0.10 -0.04 3.06 2.04 1inlC1 TYR 232 HB3 -2.12 0.03 -0.17 -0.04 2.98 0.68 1inlC1 TYR 232 HD2 -0.14 0.06 -0.17 -0.04 7.15 6.86 1inlC1 TYR 232 HE2 -0.15 0.00 -0.22 -0.04 6.85 6.45 1inlC1 LEU 233 H -0.08 0.70 0.33 -0.55 8.37 8.77 1inlC1 LEU 233 HA -0.07 0.24 1.19 -0.75 4.35 4.94 1inlC1 LEU 233 HB2 -0.14 0.04 0.05 -0.04 1.64 1.54 1inlC1 LEU 233 HB3 -0.19 -0.06 0.06 -0.04 1.64 1.41 1inlC1 LEU 233 HG -0.14 0.03 -0.28 -0.04 1.64 1.21 1inlC1 LEU 233 HD13 -0.19 0.00 -0.02 -0.04 0.93 0.68 1inlC1 LEU 233 HD23 -0.29 -0.01 -0.13 -0.04 0.89 0.42 1inlC1 GLY 234 H 0.02 0.62 0.32 -0.55 8.43 8.84 1inlC1 GLY 234 HA2 0.03 0.10 0.70 -0.51 4.01 4.33 1inlC1 GLY 234 HA3 0.17 0.03 0.25 -0.51 4.01 3.95 1inlC1 PHE 235 H 0.26 0.12 0.15 -0.55 8.34 8.32 1inlC1 PHE 235 HA 0.07 0.31 0.71 -0.75 4.62 4.96 1inlC1 PHE 235 HB2 0.24 -0.03 0.12 -0.04 3.15 3.44 1inlC1 PHE 235 HB3 0.07 -0.04 0.07 -0.04 3.06 3.11 1inlC1 PHE 235 HD2 0.13 0.03 0.05 -0.04 7.28 7.45 1inlC1 PHE 235 HE2 0.03 0.02 -0.02 -0.04 7.38 7.36 1inlC1 PHE 235 HZ 0.02 0.01 -0.03 -0.04 7.32 7.29 1inlC1 MET 236 H 0.14 0.49 -0.00 -0.55 8.47 8.55 1inlC1 MET 236 HA -0.22 0.05 0.51 -0.75 4.52 4.11 1inlC1 MET 236 HB2 -0.01 0.15 -0.36 -0.04 2.15 1.88 1inlC1 MET 236 HB3 -0.15 -0.08 0.06 -0.04 2.03 1.81 1inlC1 MET 236 HG2 -0.44 0.06 -0.03 -0.04 2.63 2.17 1inlC1 MET 236 HG3 -1.06 0.01 -0.06 -0.04 2.56 1.41 1inlC1 MET 236 HE3 -0.49 0.01 -0.05 -0.04 2.10 1.53 1inlC1 THR 237 H -0.11 0.20 0.00 -0.55 8.28 7.83 1inlC1 THR 237 HA -0.00 0.14 0.32 -0.75 4.39 4.09 1inlC1 THR 237 HB -0.03 0.06 0.09 -0.04 4.32 4.39 1inlC1 THR 237 HG23 -0.01 0.02 0.02 -0.04 1.22 1.21 1inlC1 THR 238 H -0.21 -0.02 -0.48 -0.55 8.28 7.02 1inlC1 THR 238 HA 0.00 0.30 0.88 -0.75 4.39 4.82 1inlC1 THR 238 HB 0.00 -0.01 0.05 -0.04 4.32 4.33 1inlC1 THR 238 HG23 -0.03 -0.00 -0.19 -0.04 1.22 0.96 1inlC1 TYR 239 H -0.08 0.36 -0.04 -0.55 8.29 7.98 1inlC1 TYR 239 HA -0.24 0.19 0.76 -0.75 4.56 4.51 1inlC1 TYR 239 HB2 -0.45 0.03 0.02 -0.04 3.06 2.62 1inlC1 TYR 239 HB3 -0.74 0.06 -0.05 -0.04 2.98 2.21 1inlC1 TYR 239 HD2 -1.50 0.06 -0.16 -0.04 7.15 5.51 1inlC1 TYR 239 HE2 -1.15 -0.00 -0.14 -0.04 6.85 5.51 1inlC1 PRO 240 HA -0.60 0.03 0.34 -0.51 4.44 3.70 1inlC1 PRO 240 HB2 0.04 -0.04 0.17 -0.04 2.28 2.41 1inlC1 PRO 240 HB3 -0.89 0.02 0.11 -0.04 2.02 1.22 1inlC1 PRO 240 HG2 -0.03 0.03 0.13 -0.04 2.03 2.12 1inlC1 PRO 240 HG3 -0.19 0.08 0.08 -0.04 2.03 1.96 1inlC1 PRO 240 HD2 -0.03 0.07 0.19 -0.04 3.68 3.87 1inlC1 PRO 240 HD3 -0.13 0.19 0.25 -0.04 3.65 3.91 1inlC1 SER 241 H 0.03 0.17 0.13 -0.55 8.46 8.25 1inlC1 SER 241 HA 0.08 0.06 0.37 -0.75 4.49 4.23 1inlC1 SER 241 HB2 -0.34 0.05 0.11 -0.04 3.95 3.73 1inlC1 SER 241 HB3 0.15 -0.15 -0.19 -0.04 3.93 3.70 1inlC1 GLY 242 H 0.13 0.39 -0.70 -0.55 8.43 7.70 1inlC1 GLY 242 HA2 0.10 0.26 0.26 -0.51 4.01 4.12 1inlC1 GLY 242 HA3 0.08 0.08 0.42 -0.51 4.01 4.08 1inlC1 MET 243 H 0.07 0.09 -0.55 -0.55 8.47 7.54 1inlC1 MET 243 HA -0.03 0.20 0.82 -0.75 4.52 4.76 1inlC1 MET 243 HB2 -0.06 0.04 -0.09 -0.04 2.15 2.01 1inlC1 MET 243 HB3 -0.09 -0.11 0.06 -0.04 2.03 1.86 1inlC1 MET 243 HG2 -0.20 0.01 -0.23 -0.04 2.63 2.16 1inlC1 MET 243 HG3 -0.15 0.06 -0.06 -0.04 2.56 2.36 1inlC1 MET 243 HE3 -0.19 0.00 -0.04 -0.04 2.10 1.84 1inlC1 TRP 244 H 0.12 0.66 0.18 -0.55 7.97 8.37 1inlC1 TRP 244 HA -0.24 0.13 0.89 -0.75 4.62 4.64 1inlC1 TRP 244 HB2 -0.06 -0.08 -0.15 -0.04 3.23 2.90 1inlC1 TRP 244 HB3 -0.27 0.04 -0.13 -0.04 3.23 2.83 1inlC1 TRP 244 HD1 -0.75 0.09 -0.09 -0.04 7.22 6.43 1inlC1 TRP 244 HE1 -0.07 -0.06 0.03 -0.04 10.20 10.05 1inlC1 TRP 244 HE3 -0.05 0.05 -0.33 -0.04 7.59 7.21 1inlC1 TRP 244 HZ2 -0.41 0.00 0.04 -0.04 7.44 7.03 1inlC1 TRP 244 HZ3 -0.16 0.09 0.02 -0.04 7.13 7.05 1inlC1 TRP 244 HH2 -0.37 -0.00 0.08 -0.04 7.19 6.85 1inlC1 SER 245 H -1.21 0.27 0.10 -0.55 8.46 7.07 1inlC1 SER 245 HA -0.40 0.33 1.15 -0.75 4.49 4.82 1inlC1 SER 245 HB2 -0.23 0.06 0.08 -0.04 3.95 3.82 1inlC1 SER 245 HB3 -0.67 -0.07 -0.04 -0.04 3.93 3.11 1inlC1 TYR 246 H -0.31 0.77 0.44 -0.55 8.29 8.64 1inlC1 TYR 246 HA -0.18 0.08 0.92 -0.75 4.56 4.63 1inlC1 TYR 246 HB2 -2.13 0.04 -0.06 -0.04 3.06 0.87 1inlC1 TYR 246 HB3 -0.50 0.03 -0.02 -0.04 2.98 2.44 1inlC1 TYR 246 HD2 -0.30 0.09 -0.24 -0.04 7.15 6.66 1inlC1 TYR 246 HE2 -0.13 -0.05 -0.18 -0.04 6.85 6.45 1inlC1 THR 247 H 0.07 0.55 0.29 -0.55 8.28 8.65 1inlC1 THR 247 HA 0.21 0.25 1.10 -0.75 4.39 5.20 1inlC1 THR 247 HB 0.14 -0.05 0.05 -0.04 4.32 4.43 1inlC1 THR 247 HG23 0.15 0.02 -0.24 -0.04 1.22 1.10 1inlC1 PHE 248 H 0.56 0.72 0.31 -0.55 8.34 9.39 1inlC1 PHE 248 HA 0.24 0.24 1.00 -0.75 4.62 5.35 1inlC1 PHE 248 HB2 0.36 -0.06 0.06 -0.04 3.15 3.47 1inlC1 PHE 248 HB3 0.40 0.03 0.15 -0.04 3.06 3.59 1inlC1 PHE 248 HD2 0.11 -0.07 -0.14 -0.04 7.28 7.14 1inlC1 PHE 248 HE2 0.06 0.07 -0.12 -0.04 7.38 7.36 1inlC1 PHE 248 HZ 0.07 -0.01 -0.18 -0.04 7.32 7.16 1inlC1 ALA 249 H -0.70 0.67 0.39 -0.55 8.40 8.21 1inlC1 ALA 249 HA -0.32 0.33 0.80 -0.75 4.34 4.39 1inlC1 ALA 249 HB3 -0.82 -0.02 -0.04 -0.04 1.41 0.49 1inlC1 SER 250 H -0.11 0.57 0.34 -0.55 8.46 8.72 1inlC1 SER 250 HA -0.05 0.20 0.60 -0.75 4.49 4.48 1inlC1 SER 250 HB2 0.07 0.04 0.27 -0.04 3.95 4.28 1inlC1 SER 250 HB3 -0.17 0.07 -0.16 -0.04 3.93 3.63 1inlC1 LYS 251 H 0.08 0.34 0.19 -0.55 8.42 8.48 1inlC1 LYS 251 HA 0.15 0.16 0.86 -0.75 4.32 4.74 1inlC1 LYS 251 HB2 0.01 0.09 0.16 -0.04 1.87 2.09 1inlC1 LYS 251 HB3 0.02 -0.01 0.26 -0.04 1.79 2.02 1inlC1 LYS 251 HG2 -0.15 -0.00 -0.05 -0.04 1.46 1.21 1inlC1 LYS 251 HG3 -0.02 -0.01 -0.10 -0.04 1.46 1.28 1inlC1 LYS 251 HD2 -0.17 0.06 -0.04 -0.04 1.69 1.49 1inlC1 LYS 251 HD3 -0.34 -0.07 0.03 -0.04 1.68 1.26 1inlC1 LYS 251 HE2 -2.02 -0.10 -0.04 -0.04 2.99 0.79 1inlC1 LYS 251 HE3 -0.40 -0.09 -0.06 -0.04 2.99 2.39 1inlC1 GLY 252 H 0.10 0.04 -0.24 -0.55 8.43 7.78 1inlC1 GLY 252 HA2 0.07 0.04 0.26 -0.51 4.01 3.87 1inlC1 GLY 252 HA3 0.05 0.13 0.46 -0.51 4.01 4.15 1inlC1 ILE 253 H 0.10 0.08 0.04 -0.55 8.25 7.93 1inlC1 ILE 253 HA 0.08 0.03 0.44 -0.75 4.18 3.98 1inlC1 ILE 253 HB 0.22 -0.04 0.07 -0.04 1.89 2.10 1inlC1 ILE 253 HG12 0.03 0.03 0.03 -0.04 1.49 1.54 1inlC1 ILE 253 HG13 0.04 -0.12 0.03 -0.04 1.21 1.12 1inlC1 ILE 253 HG23 0.15 0.03 -0.24 -0.04 0.93 0.83 1inlC1 ILE 253 HD13 -0.02 0.07 0.02 -0.04 0.88 0.92 1inlC1 ASP 254 H 0.06 0.13 0.17 -0.55 8.40 8.21 1inlC1 ASP 254 HA 0.10 0.22 0.67 -0.75 4.63 4.87 1inlC1 ASP 254 HB2 0.04 0.18 0.08 -0.04 2.71 2.96 1inlC1 ASP 254 HB3 0.01 -0.15 0.13 -0.04 2.70 2.65 1inlC1 PRO 255 HA -0.40 0.15 0.23 -0.51 4.44 3.91 1inlC1 PRO 255 HB2 -1.56 0.05 -0.05 -0.04 2.28 0.68 1inlC1 PRO 255 HB3 -1.10 0.05 -0.02 -0.04 2.02 0.91 1inlC1 PRO 255 HG2 -0.60 -0.01 -0.02 -0.04 2.03 1.36 1inlC1 PRO 255 HG3 -0.26 0.08 -0.03 -0.04 2.03 1.78 1inlC1 PRO 255 HD2 -0.03 0.05 0.15 -0.04 3.68 3.81 1inlC1 PRO 255 HD3 0.18 0.25 0.06 -0.04 3.65 4.10 1inlC1 ILE 256 H -0.19 -0.05 -0.40 -0.55 8.25 7.07 1inlC1 ILE 256 HA -0.08 0.25 0.94 -0.75 4.18 4.54 1inlC1 ILE 256 HB -0.10 -0.06 0.08 -0.04 1.89 1.78 1inlC1 ILE 256 HG12 -0.45 -0.06 -0.19 -0.04 1.49 0.75 1inlC1 ILE 256 HG13 -0.14 0.03 -0.03 -0.04 1.21 1.03 1inlC1 ILE 256 HG23 -0.02 0.01 -0.07 -0.04 0.93 0.80 1inlC1 ILE 256 HD13 -0.19 0.06 -0.06 -0.04 0.88 0.64 1inlC1 LYS 257 H -0.04 0.02 0.02 -0.55 8.42 7.86 1inlC1 LYS 257 HA 0.00 0.10 0.35 -0.75 4.32 4.02 1inlC1 LYS 257 HB2 0.00 -0.01 0.08 -0.04 1.87 1.90 1inlC1 LYS 257 HB3 0.00 0.04 0.09 -0.04 1.79 1.88 1inlC1 LYS 257 HG2 -0.00 0.02 0.04 -0.04 1.46 1.48 1inlC1 LYS 257 HG3 -0.01 -0.09 0.08 -0.04 1.46 1.40 1inlC1 LYS 257 HD2 0.01 0.03 0.03 -0.04 1.69 1.72 1inlC1 LYS 257 HD3 0.01 0.02 0.03 -0.04 1.68 1.69 1inlC1 LYS 257 HE2 0.01 -0.01 0.01 -0.04 2.99 2.96 1inlC1 LYS 257 HE3 0.00 -0.01 0.02 -0.04 2.99 2.96 1inlC1 ASP 258 H 0.00 0.31 -0.36 -0.55 8.40 7.80 1inlC1 ASP 258 HA 0.00 0.19 0.87 -0.75 4.63 4.93 1inlC1 ASP 258 HB2 0.03 0.18 0.07 -0.04 2.71 2.95 1inlC1 ASP 258 HB3 0.02 0.07 0.16 -0.04 2.70 2.91 1inlC1 PHE 259 H 0.10 0.34 -0.40 -0.55 8.34 7.83 1inlC1 PHE 259 HA -0.14 0.15 0.59 -0.75 4.62 4.47 1inlC1 PHE 259 HB2 -0.17 0.24 -0.02 -0.04 3.15 3.16 1inlC1 PHE 259 HB3 -0.13 0.05 0.13 -0.04 3.06 3.07 1inlC1 PHE 259 HD2 -0.30 0.06 -0.09 -0.04 7.28 6.91 1inlC1 PHE 259 HE2 -0.28 -0.02 -0.06 -0.04 7.38 6.98 1inlC1 PHE 259 HZ -0.33 -0.14 -0.05 -0.04 7.32 6.75 1inlC1 ASP 260 H -0.45 0.31 0.11 -0.55 8.40 7.82 1inlC1 ASP 260 HA -0.35 0.20 0.83 -0.75 4.63 4.56 1inlC1 ASP 260 HB2 -0.15 0.13 -0.01 -0.04 2.71 2.64 1inlC1 ASP 260 HB3 -0.20 0.08 0.20 -0.04 2.70 2.74 1inlC1 PRO 261 HA -0.66 0.04 0.39 -0.51 4.44 3.70 1inlC1 PRO 261 HB2 -0.17 0.03 0.01 -0.04 2.28 2.12 1inlC1 PRO 261 HB3 -0.12 -0.05 0.09 -0.04 2.02 1.90 1inlC1 PRO 261 HG2 -0.11 0.06 0.06 -0.04 2.03 2.00 1inlC1 PRO 261 HG3 -0.18 0.08 0.01 -0.04 2.03 1.89 1inlC1 PRO 261 HD2 -0.25 0.05 0.20 -0.04 3.68 3.65 1inlC1 PRO 261 HD3 -0.40 0.55 0.20 -0.04 3.65 3.96 1inlC1 GLU 262 H -0.23 0.17 -0.28 -0.55 8.60 7.73 1inlC1 GLU 262 HA -0.10 0.03 0.41 -0.75 4.29 3.88 1inlC1 GLU 262 HB2 -0.10 0.04 0.02 -0.04 2.09 2.00 1inlC1 GLU 262 HB3 -0.06 0.06 -0.03 -0.04 1.99 1.93 1inlC1 GLU 262 HG2 -0.09 -0.04 0.02 -0.04 2.34 2.19 1inlC1 GLU 262 HG3 -0.06 0.05 0.01 -0.04 2.34 2.30 1inlC1 LYS 263 H -0.20 0.37 -0.25 -0.55 8.42 7.79 1inlC1 LYS 263 HA 0.04 0.07 0.37 -0.75 4.32 4.05 1inlC1 LYS 263 HB2 -0.10 0.10 0.12 -0.04 1.87 1.95 1inlC1 LYS 263 HB3 0.25 0.02 0.04 -0.04 1.79 2.06 1inlC1 LYS 263 HG2 0.06 -0.01 0.04 -0.04 1.46 1.51 1inlC1 LYS 263 HG3 -0.06 -0.15 0.06 -0.04 1.46 1.27 1inlC1 LYS 263 HD2 0.00 -0.05 0.06 -0.04 1.69 1.66 1inlC1 LYS 263 HD3 0.00 0.04 0.13 -0.04 1.68 1.81 1inlC1 LYS 263 HE2 0.29 -0.08 0.07 -0.04 2.99 3.23 1inlC1 LYS 263 HE3 0.14 -0.09 0.03 -0.04 2.99 3.02 1inlC1 VAL 264 H -0.32 0.19 -0.26 -0.55 8.24 7.31 1inlC1 VAL 264 HA -0.54 0.12 0.47 -0.75 4.13 3.42 1inlC1 VAL 264 HB -0.22 0.04 0.14 -0.04 2.12 2.04 1inlC1 VAL 264 HG13 -0.18 -0.04 -0.14 -0.04 0.97 0.57 1inlC1 VAL 264 HG23 -0.65 0.02 -0.07 -0.04 0.95 0.21 1inlC1 ARG 265 H -0.12 0.48 0.06 -0.55 8.46 8.33 1inlC1 ARG 265 HA -0.02 -0.00 0.42 -0.75 4.34 3.98 1inlC1 ARG 265 HB2 -0.05 0.05 0.11 -0.04 1.90 1.97 1inlC1 ARG 265 HB3 -0.03 -0.01 0.05 -0.04 1.80 1.77 1inlC1 ARG 265 HG2 -0.05 -0.07 0.05 -0.04 1.67 1.55 1inlC1 ARG 265 HG3 -0.09 0.21 0.06 -0.04 1.67 1.81 1inlC1 ARG 265 HD2 -0.06 -0.01 -0.09 -0.04 3.22 3.01 1inlC1 ARG 265 HD3 -0.04 0.01 -0.02 -0.04 3.22 3.13 1inlC1 LYS 266 H 0.01 0.40 -0.37 -0.55 8.42 7.91 1inlC1 LYS 266 HA 0.03 0.13 0.70 -0.75 4.32 4.43 1inlC1 LYS 266 HB2 0.05 0.11 0.05 -0.04 1.87 2.04 1inlC1 LYS 266 HB3 0.04 -0.06 0.12 -0.04 1.79 1.85 1inlC1 LYS 266 HG2 -0.01 -0.04 -0.03 -0.04 1.46 1.34 1inlC1 LYS 266 HG3 0.00 -0.06 -0.01 -0.04 1.46 1.36 1inlC1 LYS 266 HD2 0.01 -0.01 0.00 -0.04 1.69 1.65 1inlC1 LYS 266 HD3 0.01 0.09 -0.11 -0.04 1.68 1.63 1inlC1 LYS 266 HE2 -0.01 -0.02 -0.02 -0.04 2.99 2.90 1inlC1 LYS 266 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.89 1inlC1 PHE 267 H 0.20 0.29 -0.46 -0.55 8.34 7.82 1inlC1 PHE 267 HA 0.07 -0.03 0.44 -0.75 4.62 4.35 1inlC1 PHE 267 HB2 0.10 0.08 0.25 -0.04 3.15 3.54 1inlC1 PHE 267 HB3 0.05 0.04 0.12 -0.04 3.06 3.23 1inlC1 PHE 267 HD2 0.09 0.08 -0.01 -0.04 7.28 7.41 1inlC1 PHE 267 HE2 -0.30 -0.03 -0.10 -0.04 7.38 6.91 1inlC1 PHE 267 HZ -0.62 -0.01 -0.30 -0.04 7.32 6.35 1inlC1 ASN 268 H -0.34 0.10 0.21 -0.55 8.53 7.95 1inlC1 ASN 268 HA -0.12 0.20 0.69 -0.75 4.76 4.77 1inlC1 ASN 268 HB2 -0.13 -0.05 0.21 -0.04 2.88 2.88 1inlC1 ASN 268 HB3 -0.09 0.05 0.12 -0.04 2.79 2.84 1inlC1 ASN 268 HD21 -0.09 -0.00 0.05 -0.04 7.03 6.95 1inlC1 ASN 268 HD22 -0.08 -0.03 0.06 -0.04 7.74 7.65 1inlC1 LYS 269 H -0.84 0.12 -0.32 -0.55 8.42 6.82 1inlC1 LYS 269 HA -0.20 0.18 0.95 -0.75 4.32 4.49 1inlC1 LYS 269 HB2 -0.59 -0.00 -0.06 -0.04 1.87 1.18 1inlC1 LYS 269 HB3 -0.15 -0.05 0.08 -0.04 1.79 1.63 1inlC1 LYS 269 HG2 -0.75 -0.13 -0.18 -0.04 1.46 0.36 1inlC1 LYS 269 HG3 -0.34 0.13 0.06 -0.04 1.46 1.28 1inlC1 LYS 269 HD2 -0.13 -0.06 0.01 -0.04 1.69 1.47 1inlC1 LYS 269 HD3 -0.20 0.17 -0.06 -0.04 1.68 1.54 1inlC1 LYS 269 HE2 -0.11 -0.04 -0.01 -0.04 2.99 2.78 1inlC1 LYS 269 HE3 -0.21 -0.07 -0.08 -0.04 2.99 2.60 1inlC1 GLU 270 H -0.04 0.09 0.11 -0.55 8.60 8.22 1inlC1 GLU 270 HA 0.03 0.11 0.43 -0.75 4.29 4.11 1inlC1 GLU 270 HB2 -0.01 0.03 0.07 -0.04 2.09 2.14 1inlC1 GLU 270 HB3 0.01 -0.02 0.09 -0.04 1.99 2.03 1inlC1 GLU 270 HG2 0.02 -0.08 -0.39 -0.04 2.34 1.85 1inlC1 GLU 270 HG3 -0.00 0.05 -0.06 -0.04 2.34 2.29 1inlC1 LEU 271 H 0.08 0.30 0.15 -0.55 8.37 8.36 1inlC1 LEU 271 HA 0.17 0.04 0.74 -0.75 4.35 4.55 1inlC1 LEU 271 HB2 0.16 0.07 0.12 -0.04 1.64 1.94 1inlC1 LEU 271 HB3 0.22 -0.08 0.03 -0.04 1.64 1.78 1inlC1 LEU 271 HG 0.31 0.15 -0.41 -0.04 1.64 1.65 1inlC1 LEU 271 HD13 0.19 0.01 -0.07 -0.04 0.93 1.01 1inlC1 LEU 271 HD23 -0.07 -0.01 0.02 -0.04 0.89 0.79 1inlC1 LYS 272 H 0.17 0.09 0.07 -0.55 8.42 8.19 1inlC1 LYS 272 HA -0.02 0.27 0.83 -0.75 4.32 4.64 1inlC1 LYS 272 HB2 -0.37 -0.09 0.01 -0.04 1.87 1.38 1inlC1 LYS 272 HB3 -0.74 0.03 0.08 -0.04 1.79 1.12 1inlC1 LYS 272 HG2 -0.18 0.08 -0.08 -0.04 1.46 1.24 1inlC1 LYS 272 HG3 -0.10 -0.02 -0.16 -0.04 1.46 1.14 1inlC1 LYS 272 HD2 -0.20 0.04 -0.04 -0.04 1.69 1.45 1inlC1 LYS 272 HD3 -0.41 -0.07 -0.03 -0.04 1.68 1.13 1inlC1 LYS 272 HE2 -1.24 -0.03 0.01 -0.04 2.99 1.69 1inlC1 LYS 272 HE3 -0.35 0.04 0.01 -0.04 2.99 2.64 1inlC1 TYR 273 H 0.39 -0.06 -0.07 -0.55 8.29 8.00 1inlC1 TYR 273 HA 0.25 0.25 0.89 -0.75 4.56 5.20 1inlC1 TYR 273 HB2 0.50 -0.05 -0.20 -0.04 3.06 3.28 1inlC1 TYR 273 HB3 0.31 -0.09 0.08 -0.04 2.98 3.24 1inlC1 TYR 273 HD2 0.17 -0.02 -0.15 -0.04 7.15 7.11 1inlC1 TYR 273 HE2 0.16 0.01 0.00 -0.04 6.85 6.97 1inlC1 TYR 274 H 0.56 -0.03 0.06 -0.55 8.29 8.34 1inlC1 TYR 274 HA 0.22 0.02 0.35 -0.75 4.56 4.40 1inlC1 TYR 274 HB2 0.30 -0.03 -0.04 -0.04 3.06 3.26 1inlC1 TYR 274 HB3 0.21 -0.01 0.05 -0.04 2.98 3.19 1inlC1 TYR 274 HD2 0.08 -0.01 -0.22 -0.04 7.15 6.96 1inlC1 TYR 274 HE2 -0.14 0.03 -0.16 -0.04 6.85 6.53 1inlC1 ASN 275 H -0.47 0.19 0.22 -0.55 8.53 7.93 1inlC1 ASN 275 HA -0.18 0.22 0.40 -0.75 4.76 4.45 1inlC1 ASN 275 HB2 -0.08 -0.06 0.16 -0.04 2.88 2.86 1inlC1 ASN 275 HB3 -0.05 0.26 -0.06 -0.04 2.79 2.91 1inlC1 ASN 275 HD21 -0.09 -0.02 -0.04 -0.04 7.03 6.85 1inlC1 ASN 275 HD22 -0.06 0.14 -0.12 -0.04 7.74 7.66 1inlC1 GLU 276 H -0.11 0.25 0.13 -0.55 8.60 8.31 1inlC1 GLU 276 HA 0.08 0.14 0.39 -0.75 4.29 4.14 1inlC1 GLU 276 HB2 0.00 0.01 0.04 -0.04 2.09 2.10 1inlC1 GLU 276 HB3 0.10 0.04 0.10 -0.04 1.99 2.19 1inlC1 GLU 276 HG2 -0.08 0.07 0.10 -0.04 2.34 2.39 1inlC1 GLU 276 HG3 -0.09 0.00 0.12 -0.04 2.34 2.33 1inlC1 GLU 277 H -0.06 0.11 -0.08 -0.55 8.60 8.02 1inlC1 GLU 277 HA -0.00 0.14 0.51 -0.75 4.29 4.17 1inlC1 GLU 277 HB2 -0.05 -0.02 0.05 -0.04 2.09 2.04 1inlC1 GLU 277 HB3 -0.02 0.05 0.01 -0.04 1.99 2.00 1inlC1 GLU 277 HG2 -0.02 0.06 0.02 -0.04 2.34 2.36 1inlC1 GLU 277 HG3 -0.01 0.04 0.02 -0.04 2.34 2.36 1inlC1 VAL 278 H -0.13 0.05 -0.25 -0.55 8.24 7.36 1inlC1 VAL 278 HA -0.05 0.08 0.42 -0.75 4.13 3.82 1inlC1 VAL 278 HB -0.17 -0.14 0.14 -0.04 2.12 1.91 1inlC1 VAL 278 HG13 0.08 0.02 -0.14 -0.04 0.97 0.89 1inlC1 VAL 278 HG23 -0.14 0.03 0.00 -0.04 0.95 0.80 1inlC1 HIS 279 H -0.23 0.41 -0.21 -0.55 8.41 7.83 1inlC1 HIS 279 HA -0.15 0.02 0.33 -0.75 4.63 4.07 1inlC1 HIS 279 HB2 -0.62 -0.02 0.05 -0.04 3.26 2.63 1inlC1 HIS 279 HB3 -0.76 0.10 0.14 -0.04 3.20 2.64 1inlC1 HIS 279 HD2 -0.82 -0.02 -0.36 -0.04 6.97 5.72 1inlC1 HIS 279 HE1 -0.17 0.10 -0.02 -0.04 7.75 7.62 1inlC1 VAL 280 H -0.06 0.31 -0.12 -0.55 8.24 7.82 1inlC1 VAL 280 HA 0.05 0.10 0.43 -0.75 4.13 3.96 1inlC1 VAL 280 HB 0.02 0.03 0.17 -0.04 2.12 2.29 1inlC1 VAL 280 HG13 0.03 -0.01 -0.07 -0.04 0.97 0.88 1inlC1 VAL 280 HG23 0.04 0.03 0.08 -0.04 0.95 1.05 1inlC1 ALA 281 H -0.01 0.53 -0.08 -0.55 8.40 8.29 1inlC1 ALA 281 HA 0.02 0.00 0.36 -0.75 4.34 3.97 1inlC1 ALA 281 HB3 0.00 -0.02 0.10 -0.04 1.41 1.45 1inlC1 SER 282 H -0.04 0.54 -0.30 -0.55 8.46 8.11 1inlC1 SER 282 HA -0.06 0.02 0.43 -0.75 4.49 4.13 1inlC1 SER 282 HB2 -0.04 0.01 0.21 -0.04 3.95 4.09 1inlC1 SER 282 HB3 -0.03 0.00 0.18 -0.04 3.93 4.04 1inlC1 PHE 283 H 0.12 0.39 -0.42 -0.55 8.34 7.88 1inlC1 PHE 283 HA 0.04 0.19 0.75 -0.75 4.62 4.85 1inlC1 PHE 283 HB2 -0.06 0.12 0.09 -0.04 3.15 3.26 1inlC1 PHE 283 HB3 -0.01 -0.07 0.12 -0.04 3.06 3.06 1inlC1 PHE 283 HD2 -0.12 0.16 -0.01 -0.04 7.28 7.26 1inlC1 PHE 283 HE2 -0.47 0.01 -0.13 -0.04 7.38 6.75 1inlC1 PHE 283 HZ -0.66 -0.04 -0.09 -0.04 7.32 6.49 1inlC1 ALA 284 H 0.04 0.50 -0.25 -0.55 8.40 8.14 1inlC1 ALA 284 HA 0.04 0.02 0.61 -0.75 4.34 4.25 1inlC1 ALA 284 HB3 0.02 -0.00 0.10 -0.04 1.41 1.49 1inlC1 LEU 285 H -0.00 0.17 0.17 -0.55 8.37 8.16 1inlC1 LEU 285 HA -0.09 0.21 0.81 -0.75 4.35 4.53 1inlC1 LEU 285 HB2 -0.05 -0.06 0.05 -0.04 1.64 1.54 1inlC1 LEU 285 HB3 -0.13 -0.08 -0.04 -0.04 1.64 1.36 1inlC1 LEU 285 HG 0.01 0.20 -0.01 -0.04 1.64 1.80 1inlC1 LEU 285 HD13 -0.03 -0.02 -0.05 -0.04 0.93 0.78 1inlC1 LEU 285 HD23 -0.06 0.05 -0.33 -0.04 0.89 0.51 1inlC1 PRO 286 HA -0.01 0.10 0.44 -0.51 4.44 4.46 1inlC1 PRO 286 HB2 -0.27 -0.15 0.02 -0.04 2.28 1.85 1inlC1 PRO 286 HB3 0.10 0.03 0.12 -0.04 2.02 2.22 1inlC1 PRO 286 HG2 -0.07 0.04 0.06 -0.04 2.03 2.02 1inlC1 PRO 286 HG3 -0.03 0.11 0.05 -0.04 2.03 2.12 1inlC1 PRO 286 HD2 -0.28 0.03 0.18 -0.04 3.68 3.57 1inlC1 PRO 286 HD3 -0.13 0.38 0.26 -0.04 3.65 4.12 1inlC1 ASN 287 H 0.04 0.17 0.17 -0.55 8.53 8.36 1inlC1 ASN 287 HA -0.00 0.13 0.35 -0.75 4.76 4.48 1inlC1 ASN 287 HB2 0.08 -0.02 0.16 -0.04 2.88 3.06 1inlC1 ASN 287 HB3 0.06 0.03 0.01 -0.04 2.79 2.85 1inlC1 ASN 287 HD21 0.02 0.04 0.03 -0.04 7.03 7.09 1inlC1 ASN 287 HD22 0.04 -0.00 0.03 -0.04 7.74 7.77 1inlC1 PHE 288 H 0.29 0.10 -0.16 -0.55 8.34 8.02 1inlC1 PHE 288 HA 0.00 0.08 0.31 -0.75 4.62 4.26 1inlC1 PHE 288 HB2 0.00 0.05 0.08 -0.04 3.15 3.24 1inlC1 PHE 288 HB3 0.00 -0.01 0.09 -0.04 3.06 3.09 1inlC1 PHE 288 HD2 -0.01 -0.04 -0.06 -0.04 7.28 7.13 1inlC1 PHE 288 HE2 -0.04 0.16 0.02 -0.04 7.38 7.48 1inlC1 PHE 288 HZ -0.10 0.00 -0.03 -0.04 7.32 7.15 1inlC1 VAL 289 H -0.67 0.19 -0.36 -0.55 8.24 6.85 1inlC1 VAL 289 HA -0.29 0.08 0.44 -0.75 4.13 3.60 1inlC1 VAL 289 HB -0.38 0.14 0.04 -0.04 2.12 1.88 1inlC1 VAL 289 HG13 -0.13 0.01 -0.13 -0.04 0.97 0.68 1inlC1 VAL 289 HG23 -1.04 -0.02 -0.01 -0.04 0.95 -0.16 1inlC1 LYS 290 H -0.14 0.46 -0.15 -0.55 8.42 8.04 1inlC1 LYS 290 HA -0.07 0.09 0.31 -0.75 4.32 3.89 1inlC1 LYS 290 HB2 -0.03 0.05 0.05 -0.04 1.87 1.90 1inlC1 LYS 290 HB3 -0.02 -0.05 -0.27 -0.04 1.79 1.41 1inlC1 LYS 290 HG2 -0.04 0.02 -0.05 -0.04 1.46 1.35 1inlC1 LYS 290 HG3 -0.07 0.07 -0.18 -0.04 1.46 1.25 1inlC1 LYS 290 HD2 -0.02 0.18 -0.03 -0.04 1.69 1.79 1inlC1 LYS 290 HD3 -0.02 -0.14 -0.14 -0.04 1.68 1.35 1inlC1 LYS 290 HE2 -0.00 -0.05 -0.14 -0.04 2.99 2.76 1inlC1 LYS 290 HE3 -0.00 0.07 -0.02 -0.04 2.99 2.99 1inlC1 LYS 291 H -0.01 0.60 -0.18 -0.55 8.42 8.28 1inlC1 LYS 291 HA 0.01 -0.04 0.38 -0.75 4.32 3.91 1inlC1 LYS 291 HB2 0.04 0.01 0.08 -0.04 1.87 1.95 1inlC1 LYS 291 HB3 0.06 0.11 0.09 -0.04 1.79 2.00 1inlC1 LYS 291 HG2 0.03 0.03 -0.12 -0.04 1.46 1.37 1inlC1 LYS 291 HG3 0.03 -0.02 0.04 -0.04 1.46 1.46 1inlC1 LYS 291 HD2 0.06 0.00 -0.03 -0.04 1.69 1.68 1inlC1 LYS 291 HD3 0.03 -0.00 -0.02 -0.04 1.68 1.65 1inlC1 LYS 291 HE2 0.06 0.00 -0.06 -0.04 2.99 2.94 1inlC1 LYS 291 HE3 0.04 -0.02 -0.03 -0.04 2.99 2.94 1inlC1 GLU 292 H 0.01 0.37 -0.27 -0.55 8.60 8.17 1inlC1 GLU 292 HA 0.03 0.02 0.40 -0.75 4.29 3.99 1inlC1 GLU 292 HB2 0.08 0.15 0.20 -0.04 2.09 2.47 1inlC1 GLU 292 HB3 0.10 0.06 0.05 -0.04 1.99 2.16 1inlC1 GLU 292 HG2 0.14 -0.07 0.01 -0.04 2.34 2.38 1inlC1 GLU 292 HG3 0.07 0.00 0.04 -0.04 2.34 2.42 1inlC1 LEU 293 H -0.05 0.33 -0.30 -0.55 8.37 7.80 1inlC1 LEU 293 HA -0.11 0.12 0.68 -0.75 4.35 4.29 1inlC1 LEU 293 HB2 -0.19 0.00 0.05 -0.04 1.64 1.46 1inlC1 LEU 293 HB3 -0.47 0.01 0.09 -0.04 1.64 1.22 1inlC1 LEU 293 HG -0.12 0.10 -0.02 -0.04 1.64 1.57 1inlC1 LEU 293 HD13 -0.42 -0.02 -0.05 -0.04 0.93 0.39 1inlC1 LEU 293 HD23 -0.81 -0.00 -0.09 -0.04 0.89 -0.05 1inlC1 GLY 294 H -0.01 0.24 -0.34 -0.55 8.43 7.78 1inlC1 GLY 294 HA2 0.01 -0.02 0.31 -0.51 4.01 3.80 1inlC1 GLY 294 HA3 0.02 0.08 0.49 -0.51 4.01 4.09 1inlC1 LEU 295 H -0.02 0.63 0.03 -0.55 8.37 8.46 1inlC1 LEU 295 HA 0.02 0.26 0.80 -0.75 4.35 4.66 1inlC1 LEU 295 HB2 -0.03 -0.10 0.04 -0.04 1.64 1.51 1inlC1 LEU 295 HB3 0.00 -0.02 0.14 -0.04 1.64 1.72 1inlC1 LEU 295 HG -0.06 0.04 -0.31 -0.04 1.64 1.27 1inlC1 LEU 295 HD13 -0.08 -0.02 -0.00 -0.04 0.93 0.79 1inlC1 LEU 295 HD23 0.07 0.03 -0.06 -0.04 0.89 0.89 1inlC1 MET 296 H 0.00 0.08 -0.32 -0.55 8.47 7.69 1inlC1 MET 296 HA 0.01 0.12 0.29 -0.75 4.52 4.18 1inlC1 MET 296 HB2 0.01 0.04 -0.02 -0.04 2.15 2.14 1inlC1 MET 296 HB3 0.01 0.02 0.01 -0.04 2.03 2.03 1inlC1 MET 296 HG2 0.00 -0.09 -0.30 -0.04 2.63 2.21 1inlC1 MET 296 HG3 0.02 -0.00 -0.03 -0.04 2.56 2.51 1inlC1 MET 296 HE3 0.02 -0.00 0.00 -0.04 2.10 2.08