============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. PHE 4 1.000 49.021 31.136 21.048 -99.200 -91.000 TYR 14 0.840 44.328 29.161 18.128 -99.200 -91.000 PHE 17 1.000 45.899 29.383 24.261 -99.200 -91.000 PHE 21 1.000 40.980 28.253 28.133 -99.200 -91.000 PHE 27 1.000 36.012 16.440 33.440 -99.200 -91.000 HIS 29 0.900 28.872 14.923 35.877 -99.200 -91.000 TYR 32 0.840 24.492 11.980 26.018 -99.200 -91.000 TYR 38 0.840 34.427 20.349 39.827 -99.200 -91.000 PHE 47 1.000 38.171 33.670 39.589 -99.200 -91.000 TYR 55 0.840 52.347 38.403 15.433 -99.200 -91.000 TYR 57 0.840 59.827 39.730 21.537 -99.200 -91.000 TYR 70 0.840 30.628 33.813 31.411 -99.200 -91.000 TYR 74 0.840 43.844 43.732 30.332 -99.200 -91.000 TYR 81 0.840 43.135 48.466 33.263 -99.200 -91.000 PHE 82 1.000 39.938 42.577 39.063 -99.200 -91.000 PHE 83 1.000 35.172 42.272 30.941 -99.200 -91.000 TYR 91 0.840 36.329 43.263 41.887 -99.200 -91.000 PHE 95 1.000 45.156 39.306 37.205 -99.200 -91.000 TYR 105 0.840 34.196 47.728 29.077 -99.200 -91.000 TYR 109 0.840 30.437 37.677 23.042 -99.200 -91.000 HIS 117 0.900 30.505 53.561 21.006 -99.200 -91.000 PHE 138 1.000 52.698 45.895 27.882 -99.200 -91.000 TYR 139 0.840 52.151 49.856 24.626 -99.200 -91.000 TYR 140 0.840 42.066 50.543 29.921 -99.200 -91.000 PHE 162 1.000 30.324 26.347 20.883 -99.200 -91.000 TYR 164 0.840 32.366 26.350 12.202 -99.200 -91.000 HIS 168 0.900 35.527 28.591 10.736 -99.200 -91.000 TYR 172 0.840 40.939 32.715 8.060 -99.200 -91.000 PHE 177 1.000 38.430 33.901 11.811 -99.200 -91.000 TRP 190 1.040 29.216 27.066 25.833 -99.200 -91.000 TRP6 190 1.020 29.586 27.953 27.981 -99.200 -91.000 PHE 198 1.000 22.719 18.646 33.738 -99.200 -91.000 PHE 207 1.000 19.668 19.029 22.202 -99.200 -91.000 PHE 221 1.000 22.124 24.083 11.674 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1cf5B1 ASP 1 HA 0.07 0.22 0.32 -0.75 4.63 4.48 1cf5B1 ASP 1 HB2 0.05 -0.04 0.07 -0.04 2.71 2.75 1cf5B1 ASP 1 HB3 0.06 -0.06 -0.02 -0.04 2.70 2.63 1cf5B1 VAL 2 H 0.09 0.18 0.12 -0.55 8.24 8.08 1cf5B1 VAL 2 HA 0.14 0.07 0.73 -0.75 4.13 4.31 1cf5B1 VAL 2 HB 0.15 -0.10 0.10 -0.04 2.12 2.23 1cf5B1 VAL 2 HG13 0.35 0.01 -0.06 -0.04 0.97 1.23 1cf5B1 VAL 2 HG23 0.15 0.02 -0.04 -0.04 0.95 1.04 1cf5B1 ASN 3 H 0.14 0.13 0.20 -0.55 8.53 8.46 1cf5B1 ASN 3 HA 0.05 0.16 0.75 -0.75 4.76 4.97 1cf5B1 ASN 3 HB2 0.10 -0.01 0.17 -0.04 2.88 3.10 1cf5B1 ASN 3 HB3 0.07 -0.09 0.03 -0.04 2.79 2.77 1cf5B1 ASN 3 HD21 0.03 0.01 -0.02 -0.04 7.03 7.01 1cf5B1 ASN 3 HD22 0.04 -0.07 -0.00 -0.04 7.74 7.66 1cf5B1 PHE 4 H -0.03 0.75 0.20 -0.55 8.34 8.71 1cf5B1 PHE 4 HA -0.15 0.01 0.07 -0.75 4.62 3.80 1cf5B1 PHE 4 HB2 -1.34 0.17 0.06 -0.04 3.15 2.00 1cf5B1 PHE 4 HB3 -0.61 -0.07 0.12 -0.04 3.06 2.47 1cf5B1 PHE 4 HD2 -0.18 0.01 -0.03 -0.04 7.28 7.03 1cf5B1 PHE 4 HE2 0.12 -0.04 -0.17 -0.04 7.38 7.25 1cf5B1 PHE 4 HZ 0.21 -0.01 -0.10 -0.04 7.32 7.38 1cf5B1 ASP 5 H -0.10 0.19 0.03 -0.55 8.40 7.97 1cf5B1 ASP 5 HA -0.25 0.15 0.94 -0.75 4.63 4.71 1cf5B1 ASP 5 HB2 -0.05 0.06 0.05 -0.04 2.71 2.73 1cf5B1 ASP 5 HB3 -0.06 0.00 0.14 -0.04 2.70 2.75 1cf5B1 LEU 6 H -0.45 0.69 0.23 -0.55 8.37 8.30 1cf5B1 LEU 6 HA -0.52 0.02 0.13 -0.75 4.35 3.21 1cf5B1 LEU 6 HB2 -0.43 0.12 0.12 -0.04 1.64 1.40 1cf5B1 LEU 6 HB3 -0.62 -0.04 -0.01 -0.04 1.64 0.93 1cf5B1 LEU 6 HG -0.42 -0.09 0.05 -0.04 1.64 1.14 1cf5B1 LEU 6 HD13 -0.41 -0.00 0.11 -0.04 0.93 0.58 1cf5B1 LEU 6 HD23 -0.58 0.03 -0.03 -0.04 0.89 0.28 1cf5B1 SER 7 H -0.11 0.12 -0.65 -0.55 8.46 7.27 1cf5B1 SER 7 HA 0.15 0.09 0.53 -0.75 4.49 4.50 1cf5B1 SER 7 HB2 -0.03 0.07 0.22 -0.04 3.95 4.17 1cf5B1 SER 7 HB3 -0.12 0.05 0.11 -0.04 3.93 3.93 1cf5B1 THR 8 H -0.03 0.41 -0.34 -0.55 8.28 7.77 1cf5B1 THR 8 HA 0.04 0.15 0.49 -0.75 4.39 4.31 1cf5B1 THR 8 HB 0.05 -0.05 0.20 -0.04 4.32 4.48 1cf5B1 THR 8 HG23 0.04 -0.00 -0.11 -0.04 1.22 1.11 1cf5B1 ALA 9 H 0.06 0.38 -0.10 -0.55 8.40 8.21 1cf5B1 ALA 9 HA 0.19 0.04 0.46 -0.75 4.34 4.28 1cf5B1 ALA 9 HB3 0.07 0.02 0.04 -0.04 1.41 1.50 1cf5B1 THR 10 H 0.16 0.12 0.28 -0.55 8.28 8.29 1cf5B1 THR 10 HA 0.10 0.29 0.88 -0.75 4.39 4.90 1cf5B1 THR 10 HB 0.07 -0.03 0.22 -0.04 4.32 4.54 1cf5B1 THR 10 HG23 0.06 0.07 -0.00 -0.04 1.22 1.31 1cf5B1 ALA 11 H 0.09 0.21 0.20 -0.55 8.40 8.36 1cf5B1 ALA 11 HA 0.22 0.14 0.43 -0.75 4.34 4.37 1cf5B1 ALA 11 HB3 0.08 0.05 0.18 -0.04 1.41 1.68 1cf5B1 LYS 12 H 0.10 -0.00 -0.24 -0.55 8.42 7.72 1cf5B1 LYS 12 HA 0.06 0.13 0.38 -0.75 4.32 4.13 1cf5B1 LYS 12 HB2 0.05 0.04 0.11 -0.04 1.87 2.02 1cf5B1 LYS 12 HB3 0.08 -0.10 0.14 -0.04 1.79 1.87 1cf5B1 LYS 12 HG2 0.06 0.02 -0.14 -0.04 1.46 1.35 1cf5B1 LYS 12 HG3 0.04 0.03 -0.00 -0.04 1.46 1.49 1cf5B1 LYS 12 HD2 0.03 0.04 -0.00 -0.04 1.69 1.72 1cf5B1 LYS 12 HD3 0.04 -0.01 0.02 -0.04 1.68 1.69 1cf5B1 LYS 12 HE2 0.05 0.02 -0.00 -0.04 2.99 3.02 1cf5B1 LYS 12 HE3 0.04 0.03 0.01 -0.04 2.99 3.03 1cf5B1 THR 13 H 0.15 0.04 -0.07 -0.55 8.28 7.84 1cf5B1 THR 13 HA 0.12 0.06 0.29 -0.75 4.39 4.10 1cf5B1 THR 13 HB 0.28 0.03 0.09 -0.04 4.32 4.69 1cf5B1 THR 13 HG23 0.13 0.03 0.12 -0.04 1.22 1.45 1cf5B1 TYR 14 H 0.29 0.45 -0.21 -0.55 8.29 8.28 1cf5B1 TYR 14 HA -0.43 0.02 0.38 -0.75 4.56 3.78 1cf5B1 TYR 14 HB2 0.22 -0.01 0.03 -0.04 3.06 3.26 1cf5B1 TYR 14 HB3 0.09 0.07 0.12 -0.04 2.98 3.21 1cf5B1 TYR 14 HD2 -0.11 -0.03 -0.03 -0.04 7.15 6.94 1cf5B1 TYR 14 HE2 0.14 0.20 0.04 -0.04 6.85 7.18 1cf5B1 THR 15 H -0.00 0.48 -0.14 -0.55 8.28 8.07 1cf5B1 THR 15 HA -0.42 0.07 0.39 -0.75 4.39 3.67 1cf5B1 THR 15 HB -0.09 -0.03 0.09 -0.04 4.32 4.26 1cf5B1 THR 15 HG23 0.04 0.07 0.07 -0.04 1.22 1.37 1cf5B1 LYS 16 H -0.04 0.32 -0.26 -0.55 8.42 7.89 1cf5B1 LYS 16 HA -0.04 0.04 0.33 -0.75 4.32 3.89 1cf5B1 LYS 16 HB2 0.02 0.01 0.07 -0.04 1.87 1.93 1cf5B1 LYS 16 HB3 0.05 0.07 0.22 -0.04 1.79 2.09 1cf5B1 LYS 16 HG2 0.06 -0.03 -0.01 -0.04 1.46 1.44 1cf5B1 LYS 16 HG3 0.06 0.02 -0.24 -0.04 1.46 1.26 1cf5B1 LYS 16 HD2 0.00 -0.01 0.03 -0.04 1.69 1.67 1cf5B1 LYS 16 HD3 0.02 -0.01 -0.01 -0.04 1.68 1.64 1cf5B1 LYS 16 HE2 0.03 0.01 -0.05 -0.04 2.99 2.93 1cf5B1 LYS 16 HE3 0.03 0.01 -0.03 -0.04 2.99 2.96 1cf5B1 PHE 17 H 0.05 0.53 0.10 -0.55 8.34 8.47 1cf5B1 PHE 17 HA -0.04 -0.02 0.55 -0.75 4.62 4.36 1cf5B1 PHE 17 HB2 -0.10 0.06 0.22 -0.04 3.15 3.30 1cf5B1 PHE 17 HB3 -0.56 0.14 0.24 -0.04 3.06 2.84 1cf5B1 PHE 17 HD2 -0.45 0.03 0.02 -0.04 7.28 6.84 1cf5B1 PHE 17 HE2 -0.04 0.01 -0.08 -0.04 7.38 7.23 1cf5B1 PHE 17 HZ -0.04 -0.07 -0.07 -0.04 7.32 7.09 1cf5B1 ILE 18 H -0.49 0.41 -0.45 -0.55 8.25 7.17 1cf5B1 ILE 18 HA -0.69 -0.04 0.19 -0.75 4.18 2.89 1cf5B1 ILE 18 HB -0.39 0.10 0.10 -0.04 1.89 1.65 1cf5B1 ILE 18 HG12 -0.96 0.26 0.08 -0.04 1.49 0.83 1cf5B1 ILE 18 HG13 -0.82 -0.05 -0.04 -0.04 1.21 0.25 1cf5B1 ILE 18 HG23 -0.23 -0.02 -0.11 -0.04 0.93 0.52 1cf5B1 ILE 18 HD13 -0.34 -0.02 -0.03 -0.04 0.88 0.45 1cf5B1 GLU 19 H -0.20 0.44 -0.17 -0.55 8.60 8.12 1cf5B1 GLU 19 HA -0.14 0.10 0.76 -0.75 4.29 4.25 1cf5B1 GLU 19 HB2 -0.07 -0.04 0.11 -0.04 2.09 2.04 1cf5B1 GLU 19 HB3 -0.09 0.09 0.13 -0.04 1.99 2.07 1cf5B1 GLU 19 HG2 -0.04 -0.01 0.09 -0.04 2.34 2.34 1cf5B1 GLU 19 HG3 -0.04 0.02 -0.40 -0.04 2.34 1.89 1cf5B1 ASP 20 H -0.08 0.65 0.07 -0.55 8.40 8.50 1cf5B1 ASP 20 HA 0.01 0.05 0.56 -0.75 4.63 4.50 1cf5B1 ASP 20 HB2 0.06 0.10 0.25 -0.04 2.71 3.08 1cf5B1 ASP 20 HB3 0.10 -0.05 -0.01 -0.04 2.70 2.70 1cf5B1 PHE 21 H -0.06 0.78 0.04 -0.55 8.34 8.54 1cf5B1 PHE 21 HA -0.04 -0.02 0.36 -0.75 4.62 4.17 1cf5B1 PHE 21 HB2 -0.41 0.02 0.05 -0.04 3.15 2.77 1cf5B1 PHE 21 HB3 -0.40 0.07 0.11 -0.04 3.06 2.79 1cf5B1 PHE 21 HD2 -0.14 0.01 -0.05 -0.04 7.28 7.07 1cf5B1 PHE 21 HE2 0.01 -0.05 -0.25 -0.04 7.38 7.04 1cf5B1 PHE 21 HZ 0.02 -0.01 -0.09 -0.04 7.32 7.20 1cf5B1 ARG 22 H -0.29 0.42 -0.13 -0.55 8.46 7.91 1cf5B1 ARG 22 HA -0.40 -0.03 0.37 -0.75 4.34 3.53 1cf5B1 ARG 22 HB2 -0.17 0.05 0.07 -0.04 1.90 1.81 1cf5B1 ARG 22 HB3 -0.21 0.03 0.07 -0.04 1.80 1.64 1cf5B1 ARG 22 HG2 -0.34 -0.09 0.08 -0.04 1.67 1.28 1cf5B1 ARG 22 HG3 -0.29 0.41 0.25 -0.04 1.67 2.01 1cf5B1 ARG 22 HD2 -0.15 -0.06 0.05 -0.04 3.22 3.01 1cf5B1 ARG 22 HD3 -0.16 0.01 0.05 -0.04 3.22 3.07 1cf5B1 ALA 23 H -0.06 0.25 -0.57 -0.55 8.40 7.47 1cf5B1 ALA 23 HA -0.03 0.02 0.33 -0.75 4.34 3.92 1cf5B1 ALA 23 HB3 0.00 -0.03 0.12 -0.04 1.41 1.46 1cf5B1 THR 24 H 0.06 0.46 -0.15 -0.55 8.28 8.10 1cf5B1 THR 24 HA 0.08 0.14 0.98 -0.75 4.39 4.83 1cf5B1 THR 24 HB 0.09 -0.07 0.09 -0.04 4.32 4.39 1cf5B1 THR 24 HG23 0.10 0.11 -0.02 -0.04 1.22 1.37 1cf5B1 LEU 25 H 0.04 0.33 -0.11 -0.55 8.37 8.07 1cf5B1 LEU 25 HA 0.10 -0.02 0.63 -0.75 4.35 4.31 1cf5B1 LEU 25 HB2 -0.06 0.21 0.17 -0.04 1.64 1.92 1cf5B1 LEU 25 HB3 0.02 -0.00 0.03 -0.04 1.64 1.64 1cf5B1 LEU 25 HG 0.12 -0.01 0.00 -0.04 1.64 1.71 1cf5B1 LEU 25 HD13 -0.33 -0.02 -0.07 -0.04 0.93 0.48 1cf5B1 LEU 25 HD23 0.11 -0.02 0.01 -0.04 0.89 0.94 1cf5B1 PRO 26 HA 0.22 0.16 0.76 -0.51 4.44 5.07 1cf5B1 PRO 26 HB2 0.40 -0.07 -0.10 -0.04 2.28 2.46 1cf5B1 PRO 26 HB3 0.15 0.05 0.08 -0.04 2.02 2.26 1cf5B1 PRO 26 HG2 0.22 -0.08 0.09 -0.04 2.03 2.22 1cf5B1 PRO 26 HG3 0.10 0.04 0.08 -0.04 2.03 2.20 1cf5B1 PRO 26 HD2 0.10 -0.04 0.30 -0.04 3.68 4.00 1cf5B1 PRO 26 HD3 0.10 0.36 0.22 -0.04 3.65 4.28 1cf5B1 PHE 27 H 0.01 0.26 0.13 -0.55 8.34 8.19 1cf5B1 PHE 27 HA -0.48 -0.00 0.94 -0.75 4.62 4.32 1cf5B1 PHE 27 HB2 -0.27 0.18 -0.25 -0.04 3.15 2.77 1cf5B1 PHE 27 HB3 -0.15 0.07 -0.47 -0.04 3.06 2.47 1cf5B1 PHE 27 HD2 -0.12 0.20 -0.11 -0.04 7.28 7.20 1cf5B1 PHE 27 HE2 -0.04 -0.05 -0.22 -0.04 7.38 7.03 1cf5B1 PHE 27 HZ -0.02 -0.03 -0.10 -0.04 7.32 7.13 1cf5B1 SER 28 H -0.59 0.35 0.14 -0.55 8.46 7.82 1cf5B1 SER 28 HA -0.53 0.01 0.43 -0.75 4.49 3.64 1cf5B1 SER 28 HB2 -0.22 0.00 0.14 -0.04 3.95 3.84 1cf5B1 SER 28 HB3 0.14 -0.05 -0.01 -0.04 3.93 3.98 1cf5B1 HIS 29 H -0.31 0.34 0.14 -0.55 8.41 8.04 1cf5B1 HIS 29 HA -0.08 0.15 0.40 -0.75 4.63 4.34 1cf5B1 HIS 29 HB2 0.01 -0.07 0.13 -0.04 3.26 3.29 1cf5B1 HIS 29 HB3 -0.05 0.11 -0.01 -0.04 3.20 3.20 1cf5B1 HIS 29 HD2 -0.00 0.29 -0.30 -0.04 6.97 6.91 1cf5B1 HIS 29 HE1 0.09 -0.04 -0.06 -0.04 7.75 7.70 1cf5B1 LYS 30 H 0.24 0.16 0.08 -0.55 8.42 8.34 1cf5B1 LYS 30 HA 0.01 0.22 0.78 -0.75 4.32 4.57 1cf5B1 LYS 30 HB2 0.09 -0.06 -0.06 -0.04 1.87 1.80 1cf5B1 LYS 30 HB3 0.02 -0.02 -0.42 -0.04 1.79 1.33 1cf5B1 LYS 30 HG2 0.10 0.04 -0.46 -0.04 1.46 1.10 1cf5B1 LYS 30 HG3 0.25 -0.03 -0.17 -0.04 1.46 1.47 1cf5B1 LYS 30 HD2 0.02 -0.10 -0.17 -0.04 1.69 1.41 1cf5B1 LYS 30 HD3 -0.08 0.21 -0.63 -0.04 1.68 1.15 1cf5B1 LYS 30 HE2 -0.25 0.03 -0.13 -0.04 2.99 2.60 1cf5B1 LYS 30 HE3 0.09 -0.07 -0.09 -0.04 2.99 2.88 1cf5B1 VAL 31 H -0.03 0.53 0.12 -0.55 8.24 8.31 1cf5B1 VAL 31 HA -0.08 0.13 0.65 -0.75 4.13 4.06 1cf5B1 VAL 31 HB 0.05 0.06 0.09 -0.04 2.12 2.28 1cf5B1 VAL 31 HG13 0.01 0.01 -0.15 -0.04 0.97 0.80 1cf5B1 VAL 31 HG23 0.07 -0.01 -0.03 -0.04 0.95 0.94 1cf5B1 TYR 32 H -0.25 0.18 -0.05 -0.55 8.29 7.62 1cf5B1 TYR 32 HA 0.01 0.03 0.28 -0.75 4.56 4.12 1cf5B1 TYR 32 HB2 0.02 0.07 -0.53 -0.04 3.06 2.58 1cf5B1 TYR 32 HB3 0.02 0.07 0.10 -0.04 2.98 3.13 1cf5B1 TYR 32 HD2 0.02 0.03 -0.06 -0.04 7.15 7.10 1cf5B1 TYR 32 HE2 0.01 0.01 -0.17 -0.04 6.85 6.66 1cf5B1 ASP 33 H 0.04 0.00 -0.30 -0.55 8.40 7.60 1cf5B1 ASP 33 HA 0.02 -0.06 0.21 -0.75 4.63 4.05 1cf5B1 ASP 33 HB2 0.06 0.40 0.18 -0.04 2.71 3.31 1cf5B1 ASP 33 HB3 0.02 0.00 0.14 -0.04 2.70 2.82 1cf5B1 ILE 34 H 0.03 0.58 -0.43 -0.55 8.25 7.88 1cf5B1 ILE 34 HA -0.09 0.25 0.76 -0.75 4.18 4.35 1cf5B1 ILE 34 HB -0.00 -0.10 -0.04 -0.04 1.89 1.71 1cf5B1 ILE 34 HG12 0.01 0.13 -0.02 -0.04 1.49 1.56 1cf5B1 ILE 34 HG13 0.05 0.03 -0.14 -0.04 1.21 1.10 1cf5B1 ILE 34 HG23 -0.06 0.02 -0.27 -0.04 0.93 0.57 1cf5B1 ILE 34 HD13 0.06 -0.02 0.00 -0.04 0.88 0.88 1cf5B1 PRO 35 HA -0.35 0.01 0.25 -0.51 4.44 3.84 1cf5B1 PRO 35 HB2 -0.66 -0.01 -0.02 -0.04 2.28 1.55 1cf5B1 PRO 35 HB3 -1.80 -0.00 -0.01 -0.04 2.02 0.17 1cf5B1 PRO 35 HG2 -0.30 0.11 0.21 -0.04 2.03 2.01 1cf5B1 PRO 35 HG3 -0.47 0.05 0.09 -0.04 2.03 1.66 1cf5B1 PRO 35 HD2 -0.19 0.23 0.20 -0.04 3.68 3.87 1cf5B1 PRO 35 HD3 -0.29 0.16 0.20 -0.04 3.65 3.68 1cf5B1 LEU 36 H -0.10 0.48 0.43 -0.55 8.37 8.64 1cf5B1 LEU 36 HA -0.13 0.12 0.87 -0.75 4.35 4.46 1cf5B1 LEU 36 HB2 -0.13 -0.01 0.07 -0.04 1.64 1.53 1cf5B1 LEU 36 HB3 -0.48 -0.04 0.10 -0.04 1.64 1.17 1cf5B1 LEU 36 HG -0.18 0.18 -0.55 -0.04 1.64 1.05 1cf5B1 LEU 36 HD13 -0.13 -0.01 -0.09 -0.04 0.93 0.66 1cf5B1 LEU 36 HD23 -0.02 -0.07 -0.04 -0.04 0.89 0.72 1cf5B1 LEU 37 H -0.12 0.47 0.16 -0.55 8.37 8.34 1cf5B1 LEU 37 HA -0.07 0.09 0.11 -0.75 4.35 3.73 1cf5B1 LEU 37 HB2 -0.06 -0.09 0.21 -0.04 1.64 1.65 1cf5B1 LEU 37 HB3 -0.01 0.14 0.16 -0.04 1.64 1.88 1cf5B1 LEU 37 HG -0.03 -0.04 -0.02 -0.04 1.64 1.51 1cf5B1 LEU 37 HD13 0.11 -0.03 -0.26 -0.04 0.93 0.70 1cf5B1 LEU 37 HD23 0.02 0.08 -0.06 -0.04 0.89 0.89 1cf5B1 TYR 38 H -0.06 0.37 0.25 -0.55 8.29 8.29 1cf5B1 TYR 38 HA -0.02 -0.03 0.67 -0.75 4.56 4.42 1cf5B1 TYR 38 HB2 -0.03 0.13 0.05 -0.04 3.06 3.17 1cf5B1 TYR 38 HB3 -0.04 -0.04 -0.33 -0.04 2.98 2.53 1cf5B1 TYR 38 HD2 -0.02 0.04 -0.07 -0.04 7.15 7.06 1cf5B1 TYR 38 HE2 -0.05 0.01 -0.10 -0.04 6.85 6.67 1cf5B1 SER 39 H 0.13 0.10 0.23 -0.55 8.46 8.37 1cf5B1 SER 39 HA -0.02 0.10 0.22 -0.75 4.49 4.03 1cf5B1 SER 39 HB2 -0.03 -0.04 0.13 -0.04 3.95 3.98 1cf5B1 SER 39 HB3 0.02 0.02 0.07 -0.04 3.93 4.00 1cf5B1 THR 40 H 0.06 0.18 0.10 -0.55 8.28 8.08 1cf5B1 THR 40 HA -0.01 0.13 0.34 -0.75 4.39 4.09 1cf5B1 THR 40 HB -0.01 0.07 0.10 -0.04 4.32 4.44 1cf5B1 THR 40 HG23 0.00 -0.02 0.01 -0.04 1.22 1.18 1cf5B1 ILE 41 H -0.06 0.25 0.06 -0.55 8.25 7.95 1cf5B1 ILE 41 HA -0.19 0.15 0.70 -0.75 4.18 4.08 1cf5B1 ILE 41 HB -0.10 0.03 -0.32 -0.04 1.89 1.46 1cf5B1 ILE 41 HG12 -0.17 0.02 -0.04 -0.04 1.49 1.26 1cf5B1 ILE 41 HG13 -0.41 -0.04 0.08 -0.04 1.21 0.80 1cf5B1 ILE 41 HG23 -0.10 0.02 -0.23 -0.04 0.93 0.58 1cf5B1 ILE 41 HD13 -0.08 0.05 -0.10 -0.04 0.88 0.71 1cf5B1 SER 42 H -0.16 0.19 0.09 -0.55 8.46 8.02 1cf5B1 SER 42 HA -0.06 0.07 0.65 -0.75 4.49 4.40 1cf5B1 SER 42 HB2 -0.09 0.09 0.12 -0.04 3.95 4.04 1cf5B1 SER 42 HB3 -0.09 0.05 0.09 -0.04 3.93 3.94 1cf5B1 ASP 43 H -0.02 0.19 0.19 -0.55 8.40 8.21 1cf5B1 ASP 43 HA 0.00 0.07 0.23 -0.75 4.63 4.18 1cf5B1 ASP 43 HB2 0.01 -0.02 0.17 -0.04 2.71 2.83 1cf5B1 ASP 43 HB3 0.04 0.08 0.00 -0.04 2.70 2.79 1cf5B1 SER 44 H -0.01 0.03 -0.32 -0.55 8.46 7.61 1cf5B1 SER 44 HA 0.02 0.15 0.45 -0.75 4.49 4.36 1cf5B1 SER 44 HB2 0.00 0.08 0.06 -0.04 3.95 4.05 1cf5B1 SER 44 HB3 0.00 0.01 0.05 -0.04 3.93 3.95 1cf5B1 ARG 45 H -0.04 0.57 -0.29 -0.55 8.46 8.14 1cf5B1 ARG 45 HA -0.01 0.25 0.68 -0.75 4.34 4.51 1cf5B1 ARG 45 HB2 -0.07 -0.14 0.05 -0.04 1.90 1.70 1cf5B1 ARG 45 HB3 -0.07 0.00 0.13 -0.04 1.80 1.82 1cf5B1 ARG 45 HG2 -0.01 0.06 0.05 -0.04 1.67 1.72 1cf5B1 ARG 45 HG3 -0.01 0.14 0.00 -0.04 1.67 1.76 1cf5B1 ARG 45 HD2 -0.02 0.03 -0.04 -0.04 3.22 3.15 1cf5B1 ARG 45 HD3 -0.04 -0.11 -0.09 -0.04 3.22 2.93 1cf5B1 ARG 46 H -0.06 0.25 -0.27 -0.55 8.46 7.82 1cf5B1 ARG 46 HA -0.25 -0.03 0.00 -0.75 4.34 3.31 1cf5B1 ARG 46 HB2 -0.11 0.14 0.11 -0.04 1.90 1.99 1cf5B1 ARG 46 HB3 -0.72 0.01 -0.10 -0.04 1.80 0.95 1cf5B1 ARG 46 HG2 -0.19 0.01 -0.15 -0.04 1.67 1.30 1cf5B1 ARG 46 HG3 -0.15 -0.06 -0.05 -0.04 1.67 1.37 1cf5B1 ARG 46 HD2 -1.31 -0.01 -0.07 -0.04 3.22 1.78 1cf5B1 ARG 46 HD3 -0.57 -0.04 0.06 -0.04 3.22 2.63 1cf5B1 PHE 47 H 0.01 0.23 -0.15 -0.55 8.34 7.88 1cf5B1 PHE 47 HA 0.03 0.24 1.17 -0.75 4.62 5.31 1cf5B1 PHE 47 HB2 -0.03 -0.01 0.01 -0.04 3.15 3.07 1cf5B1 PHE 47 HB3 -0.04 0.04 -0.13 -0.04 3.06 2.90 1cf5B1 PHE 47 HD2 0.01 0.11 -0.24 -0.04 7.28 7.12 1cf5B1 PHE 47 HE2 0.05 -0.07 -0.13 -0.04 7.38 7.19 1cf5B1 PHE 47 HZ 0.06 -0.07 -0.07 -0.04 7.32 7.20 1cf5B1 ILE 48 H 0.15 0.38 0.32 -0.55 8.25 8.55 1cf5B1 ILE 48 HA 0.09 0.27 0.91 -0.75 4.18 4.70 1cf5B1 ILE 48 HB 0.10 -0.00 0.13 -0.04 1.89 2.07 1cf5B1 ILE 48 HG12 0.17 -0.03 -0.02 -0.04 1.49 1.56 1cf5B1 ILE 48 HG13 0.10 -0.10 -0.18 -0.04 1.21 0.99 1cf5B1 ILE 48 HG23 0.09 0.04 -0.18 -0.04 0.93 0.84 1cf5B1 ILE 48 HD13 0.26 0.02 -0.13 -0.04 0.88 0.99 1cf5B1 LEU 49 H 0.07 0.28 0.16 -0.55 8.37 8.33 1cf5B1 LEU 49 HA 0.08 0.26 1.10 -0.75 4.35 5.05 1cf5B1 LEU 49 HB2 0.05 0.02 0.10 -0.04 1.64 1.77 1cf5B1 LEU 49 HB3 0.08 0.01 -0.13 -0.04 1.64 1.56 1cf5B1 LEU 49 HG 0.14 -0.01 -0.16 -0.04 1.64 1.56 1cf5B1 LEU 49 HD13 -0.11 0.01 -0.26 -0.04 0.93 0.52 1cf5B1 LEU 49 HD23 0.02 0.00 -0.07 -0.04 0.89 0.80 1cf5B1 LEU 50 H 0.04 0.50 0.31 -0.55 8.37 8.67 1cf5B1 LEU 50 HA 0.04 0.24 0.86 -0.75 4.35 4.74 1cf5B1 LEU 50 HB2 0.00 -0.09 0.11 -0.04 1.64 1.62 1cf5B1 LEU 50 HB3 0.00 0.04 0.01 -0.04 1.64 1.66 1cf5B1 LEU 50 HG -0.12 -0.00 -0.03 -0.04 1.64 1.44 1cf5B1 LEU 50 HD13 -0.13 -0.01 -0.07 -0.04 0.93 0.68 1cf5B1 LEU 50 HD23 -0.37 -0.01 -0.17 -0.04 0.89 0.30 1cf5B1 ASN 51 H 0.04 0.83 0.22 -0.55 8.53 9.07 1cf5B1 ASN 51 HA 0.03 0.17 0.96 -0.75 4.76 5.17 1cf5B1 ASN 51 HB2 0.05 0.05 -0.12 -0.04 2.88 2.82 1cf5B1 ASN 51 HB3 0.03 -0.04 0.04 -0.04 2.79 2.78 1cf5B1 ASN 51 HD21 0.01 -0.01 -0.12 -0.04 7.03 6.88 1cf5B1 ASN 51 HD22 0.03 -0.03 -0.06 -0.04 7.74 7.64 1cf5B1 LEU 52 H -0.01 0.56 0.17 -0.55 8.37 8.54 1cf5B1 LEU 52 HA -0.11 0.25 0.72 -0.75 4.35 4.45 1cf5B1 LEU 52 HB2 -0.05 0.16 0.13 -0.04 1.64 1.84 1cf5B1 LEU 52 HB3 -0.10 -0.07 -0.05 -0.04 1.64 1.38 1cf5B1 LEU 52 HG -0.06 -0.01 -0.05 -0.04 1.64 1.47 1cf5B1 LEU 52 HD13 -0.15 0.00 -0.24 -0.04 0.93 0.51 1cf5B1 LEU 52 HD23 -0.02 -0.00 -0.08 -0.04 0.89 0.75 1cf5B1 THR 53 H -0.19 0.50 0.39 -0.55 8.28 8.43 1cf5B1 THR 53 HA -0.14 0.31 0.88 -0.75 4.39 4.69 1cf5B1 THR 53 HB -0.11 -0.16 0.15 -0.04 4.32 4.16 1cf5B1 THR 53 HG23 -0.03 0.09 -0.16 -0.04 1.22 1.08 1cf5B1 SER 54 H -0.21 0.57 0.12 -0.55 8.46 8.39 1cf5B1 SER 54 HA -0.34 0.09 0.64 -0.75 4.49 4.13 1cf5B1 SER 54 HB2 -0.24 0.16 0.23 -0.04 3.95 4.07 1cf5B1 SER 54 HB3 -0.21 0.07 0.07 -0.04 3.93 3.82 1cf5B1 TYR 55 H -0.58 0.21 0.16 -0.55 8.29 7.53 1cf5B1 TYR 55 HA -0.23 0.06 0.33 -0.75 4.56 3.96 1cf5B1 TYR 55 HB2 -0.16 -0.04 0.03 -0.04 3.06 2.85 1cf5B1 TYR 55 HB3 -0.18 0.06 -0.07 -0.04 2.98 2.76 1cf5B1 TYR 55 HD2 -0.11 0.00 -0.07 -0.04 7.15 6.93 1cf5B1 TYR 55 HE2 -0.06 0.08 0.05 -0.04 6.85 6.87 1cf5B1 ALA 56 H -0.20 0.00 -0.31 -0.55 8.40 7.35 1cf5B1 ALA 56 HA -0.58 0.27 0.83 -0.75 4.34 4.11 1cf5B1 ALA 56 HB3 -0.09 0.00 0.04 -0.04 1.41 1.32 1cf5B1 TYR 57 H -0.31 0.15 -0.34 -0.55 8.29 7.23 1cf5B1 TYR 57 HA -0.12 0.07 0.12 -0.75 4.56 3.89 1cf5B1 TYR 57 HB2 -0.08 0.16 -0.01 -0.04 3.06 3.09 1cf5B1 TYR 57 HB3 -0.08 -0.03 0.03 -0.04 2.98 2.86 1cf5B1 TYR 57 HD2 -0.04 0.04 -0.12 -0.04 7.15 6.99 1cf5B1 TYR 57 HE2 -0.02 -0.02 -0.03 -0.04 6.85 6.75 1cf5B1 GLU 58 H -0.26 0.03 -0.23 -0.55 8.60 7.60 1cf5B1 GLU 58 HA -0.89 0.11 0.60 -0.75 4.29 3.36 1cf5B1 GLU 58 HB2 -0.46 -0.15 0.00 -0.04 2.09 1.44 1cf5B1 GLU 58 HB3 -1.60 0.11 -0.03 -0.04 1.99 0.43 1cf5B1 GLU 58 HG2 -0.71 0.06 0.00 -0.04 2.34 1.66 1cf5B1 GLU 58 HG3 -0.46 0.07 -0.00 -0.04 2.34 1.90 1cf5B1 THR 59 H -0.34 0.18 0.23 -0.55 8.28 7.80 1cf5B1 THR 59 HA -0.10 0.26 1.07 -0.75 4.39 4.87 1cf5B1 THR 59 HB 0.01 -0.05 0.17 -0.04 4.32 4.42 1cf5B1 THR 59 HG23 0.00 0.00 -0.17 -0.04 1.22 1.02 1cf5B1 ILE 60 H -0.02 0.51 0.28 -0.55 8.25 8.48 1cf5B1 ILE 60 HA 0.14 0.25 0.61 -0.75 4.18 4.43 1cf5B1 ILE 60 HB 0.20 0.03 -0.13 -0.04 1.89 1.95 1cf5B1 ILE 60 HG12 -0.06 -0.05 -0.05 -0.04 1.49 1.30 1cf5B1 ILE 60 HG13 -0.02 -0.04 -0.13 -0.04 1.21 0.98 1cf5B1 ILE 60 HG23 0.16 -0.02 -0.22 -0.04 0.93 0.82 1cf5B1 ILE 60 HD13 -0.25 -0.01 -0.19 -0.04 0.88 0.38 1cf5B1 SER 61 H 0.05 0.63 0.26 -0.55 8.46 8.85 1cf5B1 SER 61 HA 0.09 0.26 0.87 -0.75 4.49 4.95 1cf5B1 SER 61 HB2 0.09 -0.01 0.03 -0.04 3.95 4.02 1cf5B1 SER 61 HB3 0.02 -0.02 0.20 -0.04 3.93 4.08 1cf5B1 VAL 62 H 0.10 0.56 0.36 -0.55 8.24 8.70 1cf5B1 VAL 62 HA 0.19 0.21 1.34 -0.75 4.13 5.11 1cf5B1 VAL 62 HB 0.11 0.00 0.06 -0.04 2.12 2.25 1cf5B1 VAL 62 HG13 0.02 0.01 -0.14 -0.04 0.97 0.81 1cf5B1 VAL 62 HG23 0.07 -0.02 -0.16 -0.04 0.95 0.79 1cf5B1 ALA 63 H 0.19 0.73 0.39 -0.55 8.40 9.16 1cf5B1 ALA 63 HA 0.12 0.29 0.88 -0.75 4.34 4.88 1cf5B1 ALA 63 HB3 0.00 -0.01 -0.05 -0.04 1.41 1.31 1cf5B1 ILE 64 H 0.15 0.90 0.41 -0.55 8.25 9.16 1cf5B1 ILE 64 HA 0.20 0.16 0.84 -0.75 4.18 4.63 1cf5B1 ILE 64 HB 0.15 -0.02 0.07 -0.04 1.89 2.04 1cf5B1 ILE 64 HG12 0.02 -0.02 -0.19 -0.04 1.49 1.26 1cf5B1 ILE 64 HG13 -0.20 0.02 -0.14 -0.04 1.21 0.86 1cf5B1 ILE 64 HG23 0.28 -0.00 -0.29 -0.04 0.93 0.88 1cf5B1 ILE 64 HD13 0.08 0.01 -0.23 -0.04 0.88 0.70 1cf5B1 ASP 65 H 0.26 0.71 0.31 -0.55 8.40 9.13 1cf5B1 ASP 65 HA -0.15 0.19 0.75 -0.75 4.63 4.66 1cf5B1 ASP 65 HB2 0.31 0.07 0.14 -0.04 2.71 3.18 1cf5B1 ASP 65 HB3 0.10 -0.18 0.23 -0.04 2.70 2.81 1cf5B1 VAL 66 H -0.16 0.78 0.32 -0.55 8.24 8.62 1cf5B1 VAL 66 HA 0.07 0.01 0.06 -0.75 4.13 3.51 1cf5B1 VAL 66 HB 0.06 0.04 0.22 -0.04 2.12 2.40 1cf5B1 VAL 66 HG13 0.05 0.03 -0.03 -0.04 0.97 0.97 1cf5B1 VAL 66 HG23 -0.06 0.10 -0.02 -0.04 0.95 0.93 1cf5B1 THR 67 H -0.07 0.01 -0.64 -0.55 8.28 7.03 1cf5B1 THR 67 HA 0.01 0.25 0.51 -0.75 4.39 4.41 1cf5B1 THR 67 HB -0.09 -0.09 0.02 -0.04 4.32 4.12 1cf5B1 THR 67 HG23 -0.06 0.02 -0.02 -0.04 1.22 1.12 1cf5B1 ASN 68 H -0.02 0.24 0.01 -0.55 8.53 8.21 1cf5B1 ASN 68 HA 0.14 0.15 0.67 -0.75 4.76 4.97 1cf5B1 ASN 68 HB2 -0.59 -0.01 0.13 -0.04 2.88 2.37 1cf5B1 ASN 68 HB3 -0.21 0.11 -0.13 -0.04 2.79 2.52 1cf5B1 ASN 68 HD21 -0.27 -0.00 -0.04 -0.04 7.03 6.67 1cf5B1 ASN 68 HD22 -0.37 0.05 -0.07 -0.04 7.74 7.31 1cf5B1 VAL 69 H 0.06 0.21 0.11 -0.55 8.24 8.07 1cf5B1 VAL 69 HA 0.17 0.06 0.26 -0.75 4.13 3.87 1cf5B1 VAL 69 HB -0.08 0.06 0.05 -0.04 2.12 2.11 1cf5B1 VAL 69 HG13 0.12 -0.01 0.03 -0.04 0.97 1.08 1cf5B1 VAL 69 HG23 0.07 0.01 -0.35 -0.04 0.95 0.64 1cf5B1 TYR 70 H 0.14 -0.03 -0.62 -0.55 8.29 7.22 1cf5B1 TYR 70 HA -0.02 0.08 0.62 -0.75 4.56 4.49 1cf5B1 TYR 70 HB2 0.08 -0.10 -0.01 -0.04 3.06 2.99 1cf5B1 TYR 70 HB3 0.03 0.08 -0.20 -0.04 2.98 2.85 1cf5B1 TYR 70 HD2 -0.01 0.04 -0.12 -0.04 7.15 7.01 1cf5B1 TYR 70 HE2 0.05 0.01 -0.02 -0.04 6.85 6.85 1cf5B1 VAL 71 H 0.09 0.14 0.13 -0.55 8.24 8.05 1cf5B1 VAL 71 HA 0.19 0.26 1.09 -0.75 4.13 4.92 1cf5B1 VAL 71 HB 0.13 0.04 -0.01 -0.04 2.12 2.25 1cf5B1 VAL 71 HG13 0.09 0.01 0.06 -0.04 0.97 1.09 1cf5B1 VAL 71 HG23 0.25 -0.01 -0.06 -0.04 0.95 1.09 1cf5B1 VAL 72 H 0.19 0.59 0.32 -0.55 8.24 8.79 1cf5B1 VAL 72 HA 0.27 0.13 0.91 -0.75 4.13 4.69 1cf5B1 VAL 72 HB 0.08 -0.03 0.13 -0.04 2.12 2.25 1cf5B1 VAL 72 HG13 0.36 -0.01 -0.03 -0.04 0.97 1.25 1cf5B1 VAL 72 HG23 -0.10 0.05 -0.09 -0.04 0.95 0.76 1cf5B1 ALA 73 H 0.12 0.23 0.10 -0.55 8.40 8.30 1cf5B1 ALA 73 HA -0.23 0.07 0.72 -0.75 4.34 4.15 1cf5B1 ALA 73 HB3 -0.74 0.07 -0.19 -0.04 1.41 0.51 1cf5B1 TYR 74 H -0.29 0.46 0.33 -0.55 8.29 8.24 1cf5B1 TYR 74 HA -0.19 0.16 0.83 -0.75 4.56 4.60 1cf5B1 TYR 74 HB2 -0.09 0.12 0.01 -0.04 3.06 3.06 1cf5B1 TYR 74 HB3 -0.06 -0.09 -0.19 -0.04 2.98 2.60 1cf5B1 TYR 74 HD2 -0.10 -0.01 -0.24 -0.04 7.15 6.76 1cf5B1 TYR 74 HE2 -0.06 0.06 -0.16 -0.04 6.85 6.65 1cf5B1 ARG 75 H -0.28 0.74 0.37 -0.55 8.46 8.73 1cf5B1 ARG 75 HA -0.68 0.19 1.11 -0.75 4.34 4.22 1cf5B1 ARG 75 HB2 -1.11 0.01 -0.06 -0.04 1.90 0.70 1cf5B1 ARG 75 HB3 -1.03 -0.06 0.06 -0.04 1.80 0.72 1cf5B1 ARG 75 HG2 -0.18 -0.16 -0.69 -0.04 1.67 0.59 1cf5B1 ARG 75 HG3 -0.27 0.20 -0.44 -0.04 1.67 1.12 1cf5B1 ARG 75 HD2 -0.04 0.01 -0.19 -0.04 3.22 2.96 1cf5B1 ARG 75 HD3 -0.03 -0.10 -0.10 -0.04 3.22 2.95 1cf5B1 THR 76 H -0.29 0.36 0.14 -0.55 8.28 7.94 1cf5B1 THR 76 HA 0.03 0.16 1.09 -0.75 4.39 4.92 1cf5B1 THR 76 HB 0.21 0.06 0.10 -0.04 4.32 4.65 1cf5B1 THR 76 HG23 -0.01 -0.05 0.12 -0.04 1.22 1.24 1cf5B1 ARG 77 H -0.01 0.22 0.18 -0.55 8.46 8.30 1cf5B1 ARG 77 HA -0.01 0.03 0.41 -0.75 4.34 4.02 1cf5B1 ARG 77 HB2 -0.14 -0.11 0.27 -0.04 1.90 1.88 1cf5B1 ARG 77 HB3 -0.06 0.01 0.10 -0.04 1.80 1.81 1cf5B1 ARG 77 HG2 -0.05 0.01 0.09 -0.04 1.67 1.68 1cf5B1 ARG 77 HG3 -0.49 -0.01 -0.02 -0.04 1.67 1.11 1cf5B1 ARG 77 HD2 -0.21 0.00 0.02 -0.04 3.22 2.98 1cf5B1 ARG 77 HD3 -0.09 -0.01 0.03 -0.04 3.22 3.11 1cf5B1 ASP 78 H -0.13 0.16 0.56 -0.55 8.40 8.45 1cf5B1 ASP 78 HA -0.07 0.22 0.88 -0.75 4.63 4.90 1cf5B1 ASP 78 HB2 -0.07 -0.04 0.05 -0.04 2.71 2.60 1cf5B1 ASP 78 HB3 -0.07 -0.03 0.03 -0.04 2.70 2.58 1cf5B1 VAL 79 H -0.18 0.27 0.35 -0.55 8.24 8.13 1cf5B1 VAL 79 HA -0.26 0.26 0.97 -0.75 4.13 4.34 1cf5B1 VAL 79 HB -0.32 -0.05 0.18 -0.04 2.12 1.89 1cf5B1 VAL 79 HG13 -0.74 0.08 0.16 -0.04 0.97 0.43 1cf5B1 VAL 79 HG23 -0.14 -0.03 0.07 -0.04 0.95 0.80 1cf5B1 SER 80 H -0.43 0.62 0.30 -0.55 8.46 8.40 1cf5B1 SER 80 HA -0.64 0.18 0.59 -0.75 4.49 3.86 1cf5B1 SER 80 HB2 -0.54 -0.00 0.01 -0.04 3.95 3.37 1cf5B1 SER 80 HB3 -0.20 0.00 -0.17 -0.04 3.93 3.53 1cf5B1 TYR 81 H -0.60 0.63 0.34 -0.55 8.29 8.12 1cf5B1 TYR 81 HA -0.20 0.45 0.74 -0.75 4.56 4.80 1cf5B1 TYR 81 HB2 -0.60 -0.06 0.11 -0.04 3.06 2.46 1cf5B1 TYR 81 HB3 -0.36 -0.04 0.05 -0.04 2.98 2.59 1cf5B1 TYR 81 HD2 -0.77 0.02 -0.11 -0.04 7.15 6.25 1cf5B1 TYR 81 HE2 -0.53 -0.00 -0.06 -0.04 6.85 6.21 1cf5B1 PHE 82 H 0.04 0.35 0.27 -0.55 8.34 8.44 1cf5B1 PHE 82 HA -0.15 0.20 0.99 -0.75 4.62 4.91 1cf5B1 PHE 82 HB2 -0.09 -0.05 -0.10 -0.04 3.15 2.87 1cf5B1 PHE 82 HB3 -0.27 0.07 -0.13 -0.04 3.06 2.69 1cf5B1 PHE 82 HD2 -0.45 -0.01 -0.34 -0.04 7.28 6.44 1cf5B1 PHE 82 HE2 -0.25 -0.05 -0.32 -0.04 7.38 6.73 1cf5B1 PHE 82 HZ -0.01 0.17 -0.33 -0.04 7.32 7.11 1cf5B1 PHE 83 H 0.06 0.37 0.16 -0.55 8.34 8.38 1cf5B1 PHE 83 HA -0.00 0.07 0.46 -0.75 4.62 4.40 1cf5B1 PHE 83 HB2 0.08 0.03 0.13 -0.04 3.15 3.34 1cf5B1 PHE 83 HB3 0.08 -0.06 0.06 -0.04 3.06 3.11 1cf5B1 PHE 83 HD2 0.12 0.17 -0.27 -0.04 7.28 7.27 1cf5B1 PHE 83 HE2 0.24 -0.01 -0.19 -0.04 7.38 7.38 1cf5B1 PHE 83 HZ 0.11 -0.04 -0.11 -0.04 7.32 7.24 1cf5B1 LYS 84 H 0.12 0.56 0.21 -0.55 8.42 8.76 1cf5B1 LYS 84 HA 0.14 -0.04 0.52 -0.75 4.32 4.19 1cf5B1 LYS 84 HB2 0.07 0.29 -0.05 -0.04 1.87 2.15 1cf5B1 LYS 84 HB3 0.13 -0.20 -0.29 -0.04 1.79 1.38 1cf5B1 LYS 84 HG2 0.09 -0.04 -0.12 -0.04 1.46 1.34 1cf5B1 LYS 84 HG3 0.07 -0.00 -0.01 -0.04 1.46 1.47 1cf5B1 LYS 84 HD2 0.06 -0.02 -0.02 -0.04 1.69 1.67 1cf5B1 LYS 84 HD3 0.08 0.28 -0.09 -0.04 1.68 1.90 1cf5B1 LYS 84 HE2 0.07 -0.00 -0.02 -0.04 2.99 3.00 1cf5B1 LYS 84 HE3 0.09 -0.12 -0.12 -0.04 2.99 2.81 1cf5B1 GLU 85 H 0.16 0.12 0.17 -0.55 8.60 8.51 1cf5B1 GLU 85 HA 0.14 0.03 0.26 -0.75 4.29 3.96 1cf5B1 GLU 85 HB2 0.11 -0.01 -0.65 -0.04 2.09 1.50 1cf5B1 GLU 85 HB3 0.11 -0.02 0.15 -0.04 1.99 2.19 1cf5B1 GLU 85 HG2 0.07 -0.02 -0.02 -0.04 2.34 2.33 1cf5B1 GLU 85 HG3 0.08 0.02 0.02 -0.04 2.34 2.42 1cf5B1 SER 86 H 0.27 0.35 -0.16 -0.55 8.46 8.38 1cf5B1 SER 86 HA 0.21 0.02 0.47 -0.75 4.49 4.43 1cf5B1 SER 86 HB2 0.24 0.38 0.08 -0.04 3.95 4.60 1cf5B1 SER 86 HB3 0.09 -0.06 -0.07 -0.04 3.93 3.85 1cf5B1 PRO 87 HA 0.18 0.16 0.18 -0.51 4.44 4.45 1cf5B1 PRO 87 HB2 0.26 -0.10 0.04 -0.04 2.28 2.44 1cf5B1 PRO 87 HB3 0.20 0.08 0.12 -0.04 2.02 2.38 1cf5B1 PRO 87 HG2 0.26 -0.07 0.04 -0.04 2.03 2.22 1cf5B1 PRO 87 HG3 0.43 0.05 0.06 -0.04 2.03 2.53 1cf5B1 PRO 87 HD2 0.18 0.10 0.17 -0.04 3.68 4.09 1cf5B1 PRO 87 HD3 0.22 0.15 0.21 -0.04 3.65 4.20 1cf5B1 PRO 88 HA 0.17 0.13 0.44 -0.51 4.44 4.68 1cf5B1 PRO 88 HB2 0.08 -0.03 0.12 -0.04 2.28 2.41 1cf5B1 PRO 88 HB3 0.05 0.07 0.09 -0.04 2.02 2.18 1cf5B1 PRO 88 HG2 0.06 0.05 0.08 -0.04 2.03 2.18 1cf5B1 PRO 88 HG3 0.06 0.09 0.07 -0.04 2.03 2.22 1cf5B1 PRO 88 HD2 0.12 0.07 0.21 -0.04 3.68 4.03 1cf5B1 PRO 88 HD3 0.13 0.23 0.10 -0.04 3.65 4.07 1cf5B1 GLU 89 H 0.16 0.14 -0.12 -0.55 8.60 8.23 1cf5B1 GLU 89 HA 0.11 0.06 0.25 -0.75 4.29 3.96 1cf5B1 GLU 89 HB2 0.35 0.01 0.02 -0.04 2.09 2.43 1cf5B1 GLU 89 HB3 0.27 0.04 0.07 -0.04 1.99 2.33 1cf5B1 GLU 89 HG2 0.10 0.02 0.05 -0.04 2.34 2.46 1cf5B1 GLU 89 HG3 0.10 0.01 0.04 -0.04 2.34 2.44 1cf5B1 ALA 90 H 0.13 0.42 -0.90 -0.55 8.40 7.51 1cf5B1 ALA 90 HA -0.55 -0.03 -0.10 -0.75 4.34 2.90 1cf5B1 ALA 90 HB3 -0.12 0.02 0.00 -0.04 1.41 1.28 1cf5B1 TYR 91 H 0.12 0.27 -0.06 -0.55 8.29 8.08 1cf5B1 TYR 91 HA -0.44 0.05 0.05 -0.75 4.56 3.48 1cf5B1 TYR 91 HB2 -0.14 0.06 0.07 -0.04 3.06 3.01 1cf5B1 TYR 91 HB3 -0.26 -0.00 -0.06 -0.04 2.98 2.62 1cf5B1 TYR 91 HD2 -0.36 0.07 -0.05 -0.04 7.15 6.76 1cf5B1 TYR 91 HE2 -0.15 0.14 -0.14 -0.04 6.85 6.65 1cf5B1 ASN 92 H 0.09 0.28 -0.29 -0.55 8.53 8.06 1cf5B1 ASN 92 HA 0.01 -0.03 0.42 -0.75 4.76 4.42 1cf5B1 ASN 92 HB2 0.06 0.01 0.06 -0.04 2.88 2.96 1cf5B1 ASN 92 HB3 0.04 -0.00 0.03 -0.04 2.79 2.81 1cf5B1 ASN 92 HD21 0.02 -0.04 -0.05 -0.04 7.03 6.92 1cf5B1 ASN 92 HD22 0.04 -0.02 -0.14 -0.04 7.74 7.58 1cf5B1 ILE 93 H -0.00 0.61 0.00 -0.55 8.25 8.31 1cf5B1 ILE 93 HA -0.00 0.09 0.23 -0.75 4.18 3.74 1cf5B1 ILE 93 HB 0.03 -0.06 0.01 -0.04 1.89 1.83 1cf5B1 ILE 93 HG12 -0.01 0.02 -0.12 -0.04 1.49 1.35 1cf5B1 ILE 93 HG13 0.00 -0.03 -0.21 -0.04 1.21 0.93 1cf5B1 ILE 93 HG23 0.10 0.07 0.05 -0.04 0.93 1.10 1cf5B1 ILE 93 HD13 0.22 -0.05 -0.01 -0.04 0.88 1.00 1cf5B1 LEU 94 H -0.11 0.69 0.05 -0.55 8.37 8.46 1cf5B1 LEU 94 HA -0.35 -0.04 0.17 -0.75 4.35 3.38 1cf5B1 LEU 94 HB2 -0.08 0.30 -0.07 -0.04 1.64 1.75 1cf5B1 LEU 94 HB3 -0.41 -0.03 -0.47 -0.04 1.64 0.69 1cf5B1 LEU 94 HG -0.68 -0.05 -0.18 -0.04 1.64 0.69 1cf5B1 LEU 94 HD13 -0.37 -0.02 -0.16 -0.04 0.93 0.34 1cf5B1 LEU 94 HD23 -0.70 -0.01 -0.10 -0.04 0.89 0.03 1cf5B1 PHE 95 H -0.55 0.09 0.06 -0.55 8.34 7.39 1cf5B1 PHE 95 HA -0.01 0.02 0.22 -0.75 4.62 4.10 1cf5B1 PHE 95 HB2 0.08 0.13 -0.22 -0.04 3.15 3.10 1cf5B1 PHE 95 HB3 -0.02 -0.01 0.01 -0.04 3.06 2.99 1cf5B1 PHE 95 HD2 -0.16 0.04 -0.19 -0.04 7.28 6.93 1cf5B1 PHE 95 HE2 -0.15 -0.02 -0.24 -0.04 7.38 6.92 1cf5B1 PHE 95 HZ -0.05 -0.03 -0.38 -0.04 7.32 6.82 1cf5B1 LYS 96 H 0.02 0.08 -0.23 -0.55 8.42 7.73 1cf5B1 LYS 96 HA 0.04 0.10 0.57 -0.75 4.32 4.28 1cf5B1 LYS 96 HB2 0.00 -0.02 0.08 -0.04 1.87 1.89 1cf5B1 LYS 96 HB3 0.01 -0.06 0.01 -0.04 1.79 1.71 1cf5B1 LYS 96 HG2 0.00 -0.07 0.02 -0.04 1.46 1.37 1cf5B1 LYS 96 HG3 0.00 0.19 -0.22 -0.04 1.46 1.39 1cf5B1 LYS 96 HD2 -0.00 -0.14 0.01 -0.04 1.69 1.52 1cf5B1 LYS 96 HD3 -0.00 0.15 0.08 -0.04 1.68 1.87 1cf5B1 LYS 96 HE2 -0.01 0.34 0.09 -0.04 2.99 3.36 1cf5B1 LYS 96 HE3 -0.00 -0.12 0.04 -0.04 2.99 2.86 1cf5B1 GLY 97 H 0.02 0.15 0.17 -0.55 8.43 8.22 1cf5B1 GLY 97 HA2 0.00 -0.04 0.22 -0.51 4.01 3.68 1cf5B1 GLY 97 HA3 0.02 0.19 0.84 -0.51 4.01 4.54 1cf5B1 THR 98 H 0.02 0.18 0.11 -0.55 8.28 8.05 1cf5B1 THR 98 HA -0.04 0.24 0.39 -0.75 4.39 4.22 1cf5B1 THR 98 HB 0.04 -0.04 -0.26 -0.04 4.32 4.02 1cf5B1 THR 98 HG23 0.07 0.01 -0.17 -0.04 1.22 1.08 1cf5B1 ARG 99 H -0.08 0.32 0.26 -0.55 8.46 8.40 1cf5B1 ARG 99 HA -0.08 0.04 0.77 -0.75 4.34 4.31 1cf5B1 ARG 99 HB2 -0.08 -0.00 0.18 -0.04 1.90 1.96 1cf5B1 ARG 99 HB3 -0.11 0.06 0.28 -0.04 1.80 1.99 1cf5B1 ARG 99 HG2 -0.20 -0.06 0.09 -0.04 1.67 1.46 1cf5B1 ARG 99 HG3 -0.12 0.04 -0.08 -0.04 1.67 1.46 1cf5B1 ARG 99 HD2 -0.08 -0.02 -0.00 -0.04 3.22 3.08 1cf5B1 ARG 99 HD3 -0.07 0.01 0.04 -0.04 3.22 3.16 1cf5B1 LYS 100 H -0.07 0.27 0.20 -0.55 8.42 8.26 1cf5B1 LYS 100 HA -0.06 0.08 0.73 -0.75 4.32 4.32 1cf5B1 LYS 100 HB2 -0.08 -0.01 0.17 -0.04 1.87 1.90 1cf5B1 LYS 100 HB3 -0.13 -0.07 -0.21 -0.04 1.79 1.34 1cf5B1 LYS 100 HG2 -0.48 -0.05 -0.12 -0.04 1.46 0.77 1cf5B1 LYS 100 HG3 0.18 -0.02 -0.07 -0.04 1.46 1.51 1cf5B1 LYS 100 HD2 0.04 0.11 0.06 -0.04 1.69 1.86 1cf5B1 LYS 100 HD3 -0.05 -0.08 0.09 -0.04 1.68 1.60 1cf5B1 LYS 100 HE2 -0.08 -0.12 0.01 -0.04 2.99 2.76 1cf5B1 LYS 100 HE3 -0.19 -0.09 -0.04 -0.04 2.99 2.63 1cf5B1 ILE 101 H -0.25 0.72 0.26 -0.55 8.25 8.43 1cf5B1 ILE 101 HA -0.08 0.10 0.71 -0.75 4.18 4.15 1cf5B1 ILE 101 HB -0.51 0.05 0.17 -0.04 1.89 1.56 1cf5B1 ILE 101 HG12 -0.15 0.01 -0.22 -0.04 1.49 1.09 1cf5B1 ILE 101 HG13 -0.37 0.12 -0.09 -0.04 1.21 0.82 1cf5B1 ILE 101 HG23 -0.01 -0.03 -0.28 -0.04 0.93 0.57 1cf5B1 ILE 101 HD13 -0.12 -0.02 -0.03 -0.04 0.88 0.67 1cf5B1 THR 102 H 0.00 0.15 0.15 -0.55 8.28 8.03 1cf5B1 THR 102 HA 0.11 0.11 0.83 -0.75 4.39 4.68 1cf5B1 THR 102 HB 0.04 -0.04 0.13 -0.04 4.32 4.41 1cf5B1 THR 102 HG23 0.10 0.03 -0.15 -0.04 1.22 1.15 1cf5B1 LEU 103 H -0.05 0.58 0.27 -0.55 8.37 8.63 1cf5B1 LEU 103 HA -0.16 0.13 0.74 -0.75 4.35 4.30 1cf5B1 LEU 103 HB2 -0.36 0.06 -0.01 -0.04 1.64 1.30 1cf5B1 LEU 103 HB3 -0.96 -0.02 -0.09 -0.04 1.64 0.53 1cf5B1 LEU 103 HG -0.48 0.00 -0.04 -0.04 1.64 1.09 1cf5B1 LEU 103 HD13 -0.08 0.00 -0.07 -0.04 0.93 0.74 1cf5B1 LEU 103 HD23 -0.43 -0.01 -0.21 -0.04 0.89 0.20 1cf5B1 PRO 104 HA 0.01 0.06 0.18 -0.51 4.44 4.18 1cf5B1 PRO 104 HB2 0.09 0.02 -0.09 -0.04 2.28 2.26 1cf5B1 PRO 104 HB3 0.04 0.03 0.09 -0.04 2.02 2.14 1cf5B1 PRO 104 HG2 0.13 0.01 0.03 -0.04 2.03 2.16 1cf5B1 PRO 104 HG3 0.08 0.05 0.07 -0.04 2.03 2.19 1cf5B1 PRO 104 HD2 -0.23 0.07 0.22 -0.04 3.68 3.70 1cf5B1 PRO 104 HD3 -0.04 0.22 0.25 -0.04 3.65 4.05 1cf5B1 TYR 105 H -0.49 0.08 -0.22 -0.55 8.29 7.11 1cf5B1 TYR 105 HA 0.10 0.13 0.83 -0.75 4.56 4.87 1cf5B1 TYR 105 HB2 0.12 0.06 -0.14 -0.04 3.06 3.07 1cf5B1 TYR 105 HB3 0.08 0.03 0.01 -0.04 2.98 3.06 1cf5B1 TYR 105 HD2 0.27 0.09 -0.21 -0.04 7.15 7.26 1cf5B1 TYR 105 HE2 0.10 0.04 -0.07 -0.04 6.85 6.87 1cf5B1 THR 106 H 0.22 0.05 0.11 -0.55 8.28 8.11 1cf5B1 THR 106 HA 0.25 0.29 0.54 -0.75 4.39 4.71 1cf5B1 THR 106 HB 0.01 -0.10 0.11 -0.04 4.32 4.30 1cf5B1 THR 106 HG23 0.10 0.15 -0.03 -0.04 1.22 1.39 1cf5B1 GLY 107 H -0.25 0.23 0.12 -0.55 8.43 7.98 1cf5B1 GLY 107 HA2 -1.52 0.15 0.25 -0.51 4.01 2.37 1cf5B1 GLY 107 HA3 -1.36 0.11 0.34 -0.51 4.01 2.60 1cf5B1 ASN 108 H -0.19 0.03 -0.46 -0.55 8.53 7.37 1cf5B1 ASN 108 HA -0.49 0.32 0.80 -0.75 4.76 4.63 1cf5B1 ASN 108 HB2 -0.20 0.03 0.09 -0.04 2.88 2.75 1cf5B1 ASN 108 HB3 -0.21 0.07 -0.05 -0.04 2.79 2.57 1cf5B1 ASN 108 HD21 0.00 0.04 -0.03 -0.04 7.03 7.00 1cf5B1 ASN 108 HD22 -0.03 0.10 -0.01 -0.04 7.74 7.76 1cf5B1 TYR 109 H -0.19 0.21 0.13 -0.55 8.29 7.90 1cf5B1 TYR 109 HA -0.07 0.13 0.06 -0.75 4.56 3.93 1cf5B1 TYR 109 HB2 -0.04 0.00 0.18 -0.04 3.06 3.17 1cf5B1 TYR 109 HB3 -0.04 0.00 0.09 -0.04 2.98 2.99 1cf5B1 TYR 109 HD2 -0.05 0.00 -0.01 -0.04 7.15 7.05 1cf5B1 TYR 109 HE2 -0.05 0.07 -0.01 -0.04 6.85 6.82 1cf5B1 GLU 110 H 0.06 0.08 -0.16 -0.55 8.60 8.03 1cf5B1 GLU 110 HA 0.05 0.07 0.00 -0.75 4.29 3.65 1cf5B1 GLU 110 HB2 0.04 -0.04 0.09 -0.04 2.09 2.15 1cf5B1 GLU 110 HB3 0.03 0.07 -0.01 -0.04 1.99 2.03 1cf5B1 GLU 110 HG2 0.03 0.06 0.01 -0.04 2.34 2.40 1cf5B1 GLU 110 HG3 0.03 0.01 0.04 -0.04 2.34 2.38 1cf5B1 ASN 111 H 0.01 0.22 -0.41 -0.55 8.53 7.80 1cf5B1 ASN 111 HA 0.03 0.11 0.44 -0.75 4.76 4.59 1cf5B1 ASN 111 HB2 0.02 -0.09 0.07 -0.04 2.88 2.84 1cf5B1 ASN 111 HB3 0.09 0.15 0.05 -0.04 2.79 3.04 1cf5B1 ASN 111 HD21 0.06 0.07 -0.01 -0.04 7.03 7.11 1cf5B1 ASN 111 HD22 0.04 -0.07 -0.14 -0.04 7.74 7.53 1cf5B1 LEU 112 H -0.02 0.57 0.07 -0.55 8.37 8.45 1cf5B1 LEU 112 HA -0.23 0.02 0.38 -0.75 4.35 3.76 1cf5B1 LEU 112 HB2 -0.04 0.18 -0.12 -0.04 1.64 1.62 1cf5B1 LEU 112 HB3 0.02 -0.01 -0.12 -0.04 1.64 1.50 1cf5B1 LEU 112 HG 0.00 -0.02 -0.05 -0.04 1.64 1.53 1cf5B1 LEU 112 HD13 -0.11 0.00 0.00 -0.04 0.93 0.78 1cf5B1 LEU 112 HD23 -0.04 -0.02 -0.20 -0.04 0.89 0.59 1cf5B1 GLN 113 H -0.00 0.47 -0.46 -0.55 8.47 7.93 1cf5B1 GLN 113 HA -0.05 0.16 0.45 -0.75 4.36 4.16 1cf5B1 GLN 113 HB2 0.02 0.12 -0.01 -0.04 2.15 2.23 1cf5B1 GLN 113 HB3 -0.01 -0.06 -0.15 -0.04 2.02 1.77 1cf5B1 GLN 113 HG2 -0.03 0.34 0.12 -0.04 2.40 2.80 1cf5B1 GLN 113 HG3 0.01 -0.02 -0.08 -0.04 2.39 2.26 1cf5B1 GLN 113 HE21 -0.03 -0.06 -0.03 -0.04 6.97 6.81 1cf5B1 GLN 113 HE22 0.00 0.12 -0.09 -0.04 7.69 7.68 1cf5B1 THR 114 H -0.01 0.34 -0.04 -0.55 8.28 8.02 1cf5B1 THR 114 HA 0.03 0.05 0.43 -0.75 4.39 4.14 1cf5B1 THR 114 HB 0.05 -0.02 0.12 -0.04 4.32 4.43 1cf5B1 THR 114 HG23 0.02 0.02 0.20 -0.04 1.22 1.42 1cf5B1 ALA 115 H -0.10 0.52 -0.10 -0.55 8.40 8.17 1cf5B1 ALA 115 HA -0.21 0.00 0.29 -0.75 4.34 3.67 1cf5B1 ALA 115 HB3 -0.31 0.01 0.03 -0.04 1.41 1.10 1cf5B1 ALA 116 H -0.21 0.30 -0.34 -0.55 8.40 7.60 1cf5B1 ALA 116 HA -0.22 0.08 0.60 -0.75 4.34 4.05 1cf5B1 ALA 116 HB3 -0.11 -0.02 0.02 -0.04 1.41 1.26 1cf5B1 HIS 117 H -0.18 0.36 -0.31 -0.55 8.41 7.73 1cf5B1 HIS 117 HA -0.02 -0.02 0.28 -0.75 4.63 4.11 1cf5B1 HIS 117 HB2 -0.02 0.24 0.20 -0.04 3.26 3.64 1cf5B1 HIS 117 HB3 -0.01 -0.13 0.22 -0.04 3.20 3.23 1cf5B1 HIS 117 HD2 -0.02 -0.02 -0.08 -0.04 6.97 6.82 1cf5B1 HIS 117 HE1 0.01 -0.11 -0.02 -0.04 7.75 7.58 1cf5B1 LYS 118 H -0.01 0.35 -0.25 -0.55 8.42 7.95 1cf5B1 LYS 118 HA 0.01 0.06 0.70 -0.75 4.32 4.33 1cf5B1 LYS 118 HB2 -0.01 0.14 -0.28 -0.04 1.87 1.68 1cf5B1 LYS 118 HB3 -0.03 -0.02 -0.11 -0.04 1.79 1.59 1cf5B1 LYS 118 HG2 -0.02 -0.05 0.01 -0.04 1.46 1.36 1cf5B1 LYS 118 HG3 0.00 0.04 -0.08 -0.04 1.46 1.38 1cf5B1 LYS 118 HD2 -0.02 -0.01 -0.05 -0.04 1.69 1.56 1cf5B1 LYS 118 HD3 -0.03 -0.02 -0.14 -0.04 1.68 1.44 1cf5B1 LYS 118 HE2 -0.02 -0.02 0.04 -0.04 2.99 2.95 1cf5B1 LYS 118 HE3 -0.02 -0.05 0.00 -0.04 2.99 2.89 1cf5B1 ILE 119 H -0.01 0.12 0.08 -0.55 8.25 7.89 1cf5B1 ILE 119 HA -0.03 0.14 0.68 -0.75 4.18 4.21 1cf5B1 ILE 119 HB -0.05 -0.17 0.15 -0.04 1.89 1.79 1cf5B1 ILE 119 HG12 -0.02 0.04 0.11 -0.04 1.49 1.58 1cf5B1 ILE 119 HG13 -0.03 -0.13 -0.08 -0.04 1.21 0.93 1cf5B1 ILE 119 HG23 -0.01 0.03 0.01 -0.04 0.93 0.92 1cf5B1 ILE 119 HD13 -0.02 0.03 -0.00 -0.04 0.88 0.85 1cf5B1 ARG 120 H -0.09 0.13 0.11 -0.55 8.46 8.05 1cf5B1 ARG 120 HA -0.08 0.24 0.49 -0.75 4.34 4.23 1cf5B1 ARG 120 HB2 -0.16 0.07 0.10 -0.04 1.90 1.87 1cf5B1 ARG 120 HB3 -0.14 0.06 0.06 -0.04 1.80 1.73 1cf5B1 ARG 120 HG2 -0.21 -0.08 0.09 -0.04 1.67 1.43 1cf5B1 ARG 120 HG3 -0.21 -0.01 -0.09 -0.04 1.67 1.32 1cf5B1 ARG 120 HD2 -0.55 0.07 -0.00 -0.04 3.22 2.70 1cf5B1 ARG 120 HD3 -0.81 0.00 0.02 -0.04 3.22 2.39 1cf5B1 GLU 121 H -0.07 -0.01 -0.29 -0.55 8.60 7.69 1cf5B1 GLU 121 HA -0.06 0.09 0.37 -0.75 4.29 3.94 1cf5B1 GLU 121 HB2 -0.04 -0.06 -0.05 -0.04 2.09 1.91 1cf5B1 GLU 121 HB3 -0.03 0.10 -0.07 -0.04 1.99 1.95 1cf5B1 GLU 121 HG2 -0.03 0.07 -0.03 -0.04 2.34 2.32 1cf5B1 GLU 121 HG3 -0.05 -0.06 -0.05 -0.04 2.34 2.14 1cf5B1 ASN 122 H -0.05 0.29 -0.64 -0.55 8.53 7.57 1cf5B1 ASN 122 HA -0.04 0.18 0.69 -0.75 4.76 4.84 1cf5B1 ASN 122 HB2 -0.03 -0.11 -0.09 -0.04 2.88 2.61 1cf5B1 ASN 122 HB3 -0.03 0.07 0.09 -0.04 2.79 2.88 1cf5B1 ASN 122 HD21 -0.02 -0.00 0.03 -0.04 7.03 7.00 1cf5B1 ASN 122 HD22 -0.02 -0.01 0.04 -0.04 7.74 7.72 1cf5B1 ILE 123 H -0.08 0.35 -0.35 -0.55 8.25 7.62 1cf5B1 ILE 123 HA -0.07 0.11 0.68 -0.75 4.18 4.15 1cf5B1 ILE 123 HB -0.09 0.06 0.04 -0.04 1.89 1.86 1cf5B1 ILE 123 HG12 -0.05 0.06 -0.27 -0.04 1.49 1.19 1cf5B1 ILE 123 HG13 -0.06 0.03 -0.32 -0.04 1.21 0.82 1cf5B1 ILE 123 HG23 -0.08 0.01 -0.21 -0.04 0.93 0.62 1cf5B1 ILE 123 HD13 -0.05 -0.01 -0.17 -0.04 0.88 0.60 1cf5B1 ASP 124 H -0.10 0.11 0.09 -0.55 8.40 7.96 1cf5B1 ASP 124 HA -0.21 0.23 0.34 -0.75 4.63 4.23 1cf5B1 ASP 124 HB2 -0.10 -0.04 0.02 -0.04 2.71 2.55 1cf5B1 ASP 124 HB3 -0.14 0.01 -0.26 -0.04 2.70 2.27 1cf5B1 LEU 125 H -0.59 0.74 0.41 -0.55 8.37 8.38 1cf5B1 LEU 125 HA -0.31 0.17 0.67 -0.75 4.35 4.13 1cf5B1 LEU 125 HB2 -2.03 -0.05 0.04 -0.04 1.64 -0.43 1cf5B1 LEU 125 HB3 -0.54 -0.06 0.09 -0.04 1.64 1.09 1cf5B1 LEU 125 HG -0.45 0.12 0.04 -0.04 1.64 1.31 1cf5B1 LEU 125 HD13 -0.12 -0.03 -0.05 -0.04 0.93 0.68 1cf5B1 LEU 125 HD23 -0.19 0.01 -0.38 -0.04 0.89 0.29 1cf5B1 GLY 126 H -0.14 0.19 0.16 -0.55 8.43 8.09 1cf5B1 GLY 126 HA2 0.26 0.09 0.44 -0.51 4.01 4.29 1cf5B1 GLY 126 HA3 0.07 0.26 1.08 -0.51 4.01 4.91 1cf5B1 LEU 127 H 0.08 0.66 0.35 -0.55 8.37 8.91 1cf5B1 LEU 127 HA -0.00 0.03 0.61 -0.75 4.35 4.23 1cf5B1 LEU 127 HB2 0.11 0.14 0.23 -0.04 1.64 2.07 1cf5B1 LEU 127 HB3 0.09 -0.05 0.09 -0.04 1.64 1.73 1cf5B1 LEU 127 HG 0.03 0.06 0.01 -0.04 1.64 1.70 1cf5B1 LEU 127 HD13 0.23 0.01 -0.06 -0.04 0.93 1.07 1cf5B1 LEU 127 HD23 -0.26 -0.03 -0.09 -0.04 0.89 0.47 1cf5B1 PRO 128 HA 0.15 0.07 0.49 -0.51 4.44 4.65 1cf5B1 PRO 128 HB2 0.05 -0.01 -0.14 -0.04 2.28 2.14 1cf5B1 PRO 128 HB3 0.11 0.04 -0.08 -0.04 2.02 2.04 1cf5B1 PRO 128 HG2 0.09 0.01 -0.52 -0.04 2.03 1.58 1cf5B1 PRO 128 HG3 0.15 0.11 -0.22 -0.04 2.03 2.03 1cf5B1 PRO 128 HD2 0.10 0.34 0.02 -0.04 3.68 4.09 1cf5B1 PRO 128 HD3 0.12 0.16 -0.17 -0.04 3.65 3.72 1cf5B1 ALA 129 H -0.02 0.22 -0.45 -0.55 8.40 7.60 1cf5B1 ALA 129 HA -0.05 0.01 -0.07 -0.75 4.34 3.48 1cf5B1 ALA 129 HB3 -0.10 0.02 -0.12 -0.04 1.41 1.17 1cf5B1 LEU 130 H -0.06 0.29 -0.70 -0.55 8.37 7.35 1cf5B1 LEU 130 HA -0.06 0.08 0.69 -0.75 4.35 4.30 1cf5B1 LEU 130 HB2 -0.03 0.19 0.17 -0.04 1.64 1.93 1cf5B1 LEU 130 HB3 -0.07 0.02 0.10 -0.04 1.64 1.66 1cf5B1 LEU 130 HG 0.03 0.00 -0.02 -0.04 1.64 1.60 1cf5B1 LEU 130 HD13 0.18 0.01 -0.06 -0.04 0.93 1.02 1cf5B1 LEU 130 HD23 -0.02 -0.02 -0.01 -0.04 0.89 0.80 1cf5B1 SER 131 H -0.23 0.60 0.06 -0.55 8.46 8.34 1cf5B1 SER 131 HA -0.28 0.03 0.27 -0.75 4.49 3.75 1cf5B1 SER 131 HB2 -0.89 0.13 0.20 -0.04 3.95 3.35 1cf5B1 SER 131 HB3 -0.74 0.16 0.07 -0.04 3.93 3.39 1cf5B1 SER 132 H -0.11 0.18 -0.97 -0.55 8.46 7.01 1cf5B1 SER 132 HA -0.05 0.08 0.74 -0.75 4.49 4.50 1cf5B1 SER 132 HB2 -0.05 0.12 -0.07 -0.04 3.95 3.91 1cf5B1 SER 132 HB3 -0.03 -0.02 0.02 -0.04 3.93 3.86 1cf5B1 ALA 133 H -0.08 0.36 -0.07 -0.55 8.40 8.06 1cf5B1 ALA 133 HA -0.06 0.03 0.42 -0.75 4.34 3.98 1cf5B1 ALA 133 HB3 -0.07 0.10 0.22 -0.04 1.41 1.62 1cf5B1 ILE 134 H -0.10 0.17 -0.35 -0.55 8.25 7.42 1cf5B1 ILE 134 HA -0.11 0.14 0.20 -0.75 4.18 3.66 1cf5B1 ILE 134 HB -0.15 -0.07 -0.09 -0.04 1.89 1.55 1cf5B1 ILE 134 HG12 -0.11 0.03 -0.17 -0.04 1.49 1.19 1cf5B1 ILE 134 HG13 -0.11 0.15 -0.09 -0.04 1.21 1.12 1cf5B1 ILE 134 HG23 -0.13 -0.01 -0.35 -0.04 0.93 0.39 1cf5B1 ILE 134 HD13 -0.18 -0.03 -0.31 -0.04 0.88 0.31 1cf5B1 THR 135 H -0.06 0.16 -0.35 -0.55 8.28 7.47 1cf5B1 THR 135 HA 0.01 0.06 0.55 -0.75 4.39 4.25 1cf5B1 THR 135 HB 0.04 0.08 0.12 -0.04 4.32 4.52 1cf5B1 THR 135 HG23 0.23 0.01 -0.03 -0.04 1.22 1.39 1cf5B1 THR 136 H 0.02 0.50 -0.24 -0.55 8.28 8.02 1cf5B1 THR 136 HA 0.12 0.10 0.08 -0.75 4.39 3.93 1cf5B1 THR 136 HB -0.01 -0.04 0.01 -0.04 4.32 4.24 1cf5B1 THR 136 HG23 -0.00 0.16 0.03 -0.04 1.22 1.37 1cf5B1 LEU 137 H 0.00 0.05 -0.97 -0.55 8.37 6.91 1cf5B1 LEU 137 HA 0.02 0.07 0.66 -0.75 4.35 4.35 1cf5B1 LEU 137 HB2 -0.16 0.24 0.13 -0.04 1.64 1.81 1cf5B1 LEU 137 HB3 -0.36 -0.05 -0.19 -0.04 1.64 1.00 1cf5B1 LEU 137 HG -0.69 -0.08 -0.08 -0.04 1.64 0.75 1cf5B1 LEU 137 HD13 -0.08 0.04 -0.21 -0.04 0.93 0.64 1cf5B1 LEU 137 HD23 -0.32 0.01 -0.19 -0.04 0.89 0.34 1cf5B1 PHE 138 H 0.14 0.40 -0.22 -0.55 8.34 8.12 1cf5B1 PHE 138 HA 0.00 0.03 0.55 -0.75 4.62 4.45 1cf5B1 PHE 138 HB2 -0.15 0.06 0.01 -0.04 3.15 3.02 1cf5B1 PHE 138 HB3 -0.34 0.06 0.14 -0.04 3.06 2.88 1cf5B1 PHE 138 HD2 -0.80 0.10 -0.06 -0.04 7.28 6.48 1cf5B1 PHE 138 HE2 -0.19 0.02 0.08 -0.04 7.38 7.25 1cf5B1 PHE 138 HZ -0.08 0.01 0.06 -0.04 7.32 7.27 1cf5B1 TYR 139 H 0.19 0.45 -0.27 -0.55 8.29 8.11 1cf5B1 TYR 139 HA -0.01 0.10 0.64 -0.75 4.56 4.54 1cf5B1 TYR 139 HB2 0.07 0.03 0.04 -0.04 3.06 3.16 1cf5B1 TYR 139 HB3 0.04 -0.01 0.10 -0.04 2.98 3.07 1cf5B1 TYR 139 HD2 0.08 0.03 -0.04 -0.04 7.15 7.19 1cf5B1 TYR 139 HE2 0.12 -0.03 -0.02 -0.04 6.85 6.88 1cf5B1 TYR 140 H 0.16 0.22 -0.45 -0.55 8.29 7.67 1cf5B1 TYR 140 HA -0.03 0.12 0.30 -0.75 4.56 4.20 1cf5B1 TYR 140 HB2 -0.18 0.12 0.00 -0.04 3.06 2.96 1cf5B1 TYR 140 HB3 -0.06 -0.03 -0.03 -0.04 2.98 2.81 1cf5B1 TYR 140 HD2 -0.20 0.03 -0.17 -0.04 7.15 6.77 1cf5B1 TYR 140 HE2 -0.14 -0.02 -0.10 -0.04 6.85 6.54 1cf5B1 ASN 141 H -0.83 0.27 0.24 -0.55 8.53 7.67 1cf5B1 ASN 141 HA -0.23 0.13 0.66 -0.75 4.76 4.57 1cf5B1 ASN 141 HB2 -0.09 0.26 -0.10 -0.04 2.88 2.92 1cf5B1 ASN 141 HB3 -0.16 -0.05 0.07 -0.04 2.79 2.61 1cf5B1 ASN 141 HD21 -0.04 -0.00 0.04 -0.04 7.03 6.99 1cf5B1 ASN 141 HD22 -0.04 0.13 0.05 -0.04 7.74 7.84 1cf5B1 ALA 142 H -0.16 0.22 0.18 -0.55 8.40 8.09 1cf5B1 ALA 142 HA -0.27 0.09 0.06 -0.75 4.34 3.46 1cf5B1 ALA 142 HB3 0.05 0.03 0.08 -0.04 1.41 1.53 1cf5B1 GLN 143 H -0.10 -0.02 -0.15 -0.55 8.47 7.65 1cf5B1 GLN 143 HA -0.03 0.23 0.69 -0.75 4.36 4.49 1cf5B1 GLN 143 HB2 -0.04 -0.06 0.02 -0.04 2.15 2.03 1cf5B1 GLN 143 HB3 -0.01 0.08 -0.01 -0.04 2.02 2.03 1cf5B1 GLN 143 HG2 0.02 0.07 0.02 -0.04 2.40 2.46 1cf5B1 GLN 143 HG3 0.00 -0.05 -0.03 -0.04 2.39 2.27 1cf5B1 GLN 143 HE21 -0.01 0.04 0.02 -0.04 6.97 6.98 1cf5B1 GLN 143 HE22 -0.02 -0.15 0.04 -0.04 7.69 7.52 1cf5B1 SER 144 H -0.14 0.04 -0.16 -0.55 8.46 7.66 1cf5B1 SER 144 HA -0.07 0.20 0.79 -0.75 4.49 4.66 1cf5B1 SER 144 HB2 -0.06 -0.01 0.07 -0.04 3.95 3.91 1cf5B1 SER 144 HB3 -0.07 -0.04 0.04 -0.04 3.93 3.82 1cf5B1 ALA 145 H -0.22 0.44 0.02 -0.55 8.40 8.09 1cf5B1 ALA 145 HA -0.09 0.03 0.04 -0.75 4.34 3.56 1cf5B1 ALA 145 HB3 -0.13 -0.00 0.03 -0.04 1.41 1.27 1cf5B1 PRO 146 HA -0.08 -0.03 0.09 -0.51 4.44 3.91 1cf5B1 PRO 146 HB2 -0.23 0.09 -0.08 -0.04 2.28 2.01 1cf5B1 PRO 146 HB3 -0.57 -0.02 0.02 -0.04 2.02 1.41 1cf5B1 PRO 146 HG2 -0.20 0.23 -0.15 -0.04 2.03 1.87 1cf5B1 PRO 146 HG3 -0.19 -0.04 -0.02 -0.04 2.03 1.74 1cf5B1 PRO 146 HD2 -0.11 0.26 -0.53 -0.04 3.68 3.27 1cf5B1 PRO 146 HD3 -0.06 0.08 -0.25 -0.04 3.65 3.37 1cf5B1 SER 147 H -0.09 0.35 -0.26 -0.55 8.46 7.92 1cf5B1 SER 147 HA -0.06 0.01 0.25 -0.75 4.49 3.94 1cf5B1 SER 147 HB2 -0.05 -0.03 0.05 -0.04 3.95 3.88 1cf5B1 SER 147 HB3 -0.06 0.10 0.13 -0.04 3.93 4.06 1cf5B1 ALA 148 H -0.06 0.38 -0.12 -0.55 8.40 8.06 1cf5B1 ALA 148 HA -0.05 -0.01 0.33 -0.75 4.34 3.86 1cf5B1 ALA 148 HB3 -0.06 0.04 0.03 -0.04 1.41 1.37 1cf5B1 LEU 149 H -0.02 0.53 -0.46 -0.55 8.37 7.88 1cf5B1 LEU 149 HA -0.00 -0.00 0.34 -0.75 4.35 3.93 1cf5B1 LEU 149 HB2 0.09 0.19 0.12 -0.04 1.64 2.00 1cf5B1 LEU 149 HB3 0.22 -0.06 -0.02 -0.04 1.64 1.74 1cf5B1 LEU 149 HG 0.01 0.05 -0.13 -0.04 1.64 1.52 1cf5B1 LEU 149 HD13 0.22 -0.02 -0.19 -0.04 0.93 0.91 1cf5B1 LEU 149 HD23 0.07 -0.02 -0.11 -0.04 0.89 0.79 1cf5B1 LEU 150 H 0.02 0.66 0.05 -0.55 8.37 8.55 1cf5B1 LEU 150 HA 0.11 -0.08 0.28 -0.75 4.35 3.91 1cf5B1 LEU 150 HB2 -0.01 0.22 0.17 -0.04 1.64 1.98 1cf5B1 LEU 150 HB3 -0.01 0.08 0.01 -0.04 1.64 1.67 1cf5B1 LEU 150 HG -0.01 -0.09 -0.05 -0.04 1.64 1.45 1cf5B1 LEU 150 HD13 0.23 -0.04 -0.03 -0.04 0.93 1.05 1cf5B1 LEU 150 HD23 -0.02 0.02 -0.19 -0.04 0.89 0.66 1cf5B1 VAL 151 H -0.02 0.38 -0.53 -0.55 8.24 7.53 1cf5B1 VAL 151 HA -0.04 0.00 0.48 -0.75 4.13 3.83 1cf5B1 VAL 151 HB -0.05 0.13 0.12 -0.04 2.12 2.28 1cf5B1 VAL 151 HG13 -0.06 0.03 -0.20 -0.04 0.97 0.69 1cf5B1 VAL 151 HG23 -0.08 0.01 -0.12 -0.04 0.95 0.73 1cf5B1 LEU 152 H -0.01 0.59 0.07 -0.55 8.37 8.48 1cf5B1 LEU 152 HA 0.02 -0.03 0.42 -0.75 4.35 4.01 1cf5B1 LEU 152 HB2 -0.04 0.17 0.17 -0.04 1.64 1.90 1cf5B1 LEU 152 HB3 0.01 0.05 0.13 -0.04 1.64 1.80 1cf5B1 LEU 152 HG -0.08 -0.00 -0.08 -0.04 1.64 1.43 1cf5B1 LEU 152 HD13 -0.05 -0.01 -0.12 -0.04 0.93 0.71 1cf5B1 LEU 152 HD23 0.01 -0.02 -0.06 -0.04 0.89 0.78 1cf5B1 ILE 153 H 0.06 0.63 -0.17 -0.55 8.25 8.22 1cf5B1 ILE 153 HA 0.08 0.02 0.65 -0.75 4.18 4.17 1cf5B1 ILE 153 HB 0.02 -0.04 0.08 -0.04 1.89 1.90 1cf5B1 ILE 153 HG12 0.19 0.04 -0.20 -0.04 1.49 1.49 1cf5B1 ILE 153 HG13 0.08 -0.10 -0.38 -0.04 1.21 0.76 1cf5B1 ILE 153 HG23 0.05 0.06 -0.07 -0.04 0.93 0.93 1cf5B1 ILE 153 HD13 -0.25 0.01 -0.00 -0.04 0.88 0.59 1cf5B1 GLN 154 H 0.08 0.40 -0.15 -0.55 8.47 8.26 1cf5B1 GLN 154 HA 0.11 0.01 0.71 -0.75 4.36 4.44 1cf5B1 GLN 154 HB2 0.01 0.13 0.17 -0.04 2.15 2.42 1cf5B1 GLN 154 HB3 0.04 -0.08 0.05 -0.04 2.02 1.99 1cf5B1 GLN 154 HG2 0.07 -0.09 0.03 -0.04 2.40 2.37 1cf5B1 GLN 154 HG3 0.09 0.26 0.14 -0.04 2.39 2.83 1cf5B1 GLN 154 HE21 -0.11 0.04 -0.02 -0.04 6.97 6.84 1cf5B1 GLN 154 HE22 -0.06 0.13 -0.02 -0.04 7.69 7.70 1cf5B1 THR 155 H 0.07 0.59 -0.05 -0.55 8.28 8.35 1cf5B1 THR 155 HA 0.17 0.07 0.46 -0.75 4.39 4.34 1cf5B1 THR 155 HB 0.15 -0.02 0.02 -0.04 4.32 4.43 1cf5B1 THR 155 HG23 0.01 0.01 0.01 -0.04 1.22 1.21 1cf5B1 THR 156 H 0.16 0.19 -0.43 -0.55 8.28 7.65 1cf5B1 THR 156 HA 0.33 0.27 1.01 -0.75 4.39 5.25 1cf5B1 THR 156 HB 0.18 -0.01 0.03 -0.04 4.32 4.49 1cf5B1 THR 156 HG23 0.22 0.02 -0.06 -0.04 1.22 1.35 1cf5B1 ALA 157 H 0.17 0.16 0.16 -0.55 8.40 8.35 1cf5B1 ALA 157 HA 0.40 0.04 0.26 -0.75 4.34 4.29 1cf5B1 ALA 157 HB3 0.10 0.04 0.15 -0.04 1.41 1.66 1cf5B1 GLU 158 H 0.09 0.46 -0.09 -0.55 8.60 8.51 1cf5B1 GLU 158 HA -0.05 0.06 0.59 -0.75 4.29 4.14 1cf5B1 GLU 158 HB2 0.11 0.16 0.28 -0.04 2.09 2.60 1cf5B1 GLU 158 HB3 0.13 -0.08 0.07 -0.04 1.99 2.08 1cf5B1 GLU 158 HG2 0.07 0.07 -0.02 -0.04 2.34 2.41 1cf5B1 GLU 158 HG3 0.16 -0.08 0.01 -0.04 2.34 2.39 1cf5B1 ALA 159 H 0.14 0.23 -0.34 -0.55 8.40 7.88 1cf5B1 ALA 159 HA 0.15 -0.07 0.33 -0.75 4.34 4.00 1cf5B1 ALA 159 HB3 0.19 0.04 -0.05 -0.04 1.41 1.56 1cf5B1 ALA 160 H 0.01 0.48 -0.18 -0.55 8.40 8.17 1cf5B1 ALA 160 HA -0.22 0.05 0.29 -0.75 4.34 3.71 1cf5B1 ALA 160 HB3 -0.49 0.03 0.02 -0.04 1.41 0.92 1cf5B1 ARG 161 H -0.16 0.31 -0.42 -0.55 8.46 7.63 1cf5B1 ARG 161 HA -0.23 -0.01 0.24 -0.75 4.34 3.58 1cf5B1 ARG 161 HB2 -0.34 0.11 0.19 -0.04 1.90 1.82 1cf5B1 ARG 161 HB3 -0.90 -0.10 -0.09 -0.04 1.80 0.67 1cf5B1 ARG 161 HG2 -1.95 -0.10 -0.04 -0.04 1.67 -0.45 1cf5B1 ARG 161 HG3 -0.33 -0.02 -0.05 -0.04 1.67 1.22 1cf5B1 ARG 161 HD2 -0.68 -0.04 -0.09 -0.04 3.22 2.37 1cf5B1 ARG 161 HD3 -0.40 0.51 0.02 -0.04 3.22 3.31 1cf5B1 PHE 162 H 0.06 0.51 -0.20 -0.55 8.34 8.16 1cf5B1 PHE 162 HA 0.07 0.19 0.81 -0.75 4.62 4.94 1cf5B1 PHE 162 HB2 0.08 -0.03 0.06 -0.04 3.15 3.22 1cf5B1 PHE 162 HB3 0.12 -0.21 -0.14 -0.04 3.06 2.79 1cf5B1 PHE 162 HD2 0.06 0.01 -0.11 -0.04 7.28 7.20 1cf5B1 PHE 162 HE2 0.10 -0.02 -0.11 -0.04 7.38 7.31 1cf5B1 PHE 162 HZ 0.38 -0.03 -0.07 -0.04 7.32 7.56 1cf5B1 LYS 163 H 0.17 0.84 0.30 -0.55 8.42 9.18 1cf5B1 LYS 163 HA 0.09 0.07 0.23 -0.75 4.32 3.96 1cf5B1 LYS 163 HB2 0.08 0.22 0.24 -0.04 1.87 2.36 1cf5B1 LYS 163 HB3 0.13 0.02 0.27 -0.04 1.79 2.16 1cf5B1 LYS 163 HG2 0.06 -0.11 0.01 -0.04 1.46 1.38 1cf5B1 LYS 163 HG3 0.04 -0.04 0.06 -0.04 1.46 1.48 1cf5B1 LYS 163 HD2 0.01 -0.01 0.01 -0.04 1.69 1.66 1cf5B1 LYS 163 HD3 0.04 0.16 0.05 -0.04 1.68 1.89 1cf5B1 LYS 163 HE2 0.04 -0.09 0.01 -0.04 2.99 2.92 1cf5B1 LYS 163 HE3 0.02 -0.05 0.00 -0.04 2.99 2.91 1cf5B1 TYR 164 H 0.30 0.15 -0.09 -0.55 8.29 8.10 1cf5B1 TYR 164 HA 0.12 0.04 0.22 -0.75 4.56 4.19 1cf5B1 TYR 164 HB2 0.04 0.04 0.08 -0.04 3.06 3.18 1cf5B1 TYR 164 HB3 -0.02 -0.02 0.04 -0.04 2.98 2.94 1cf5B1 TYR 164 HD2 -0.08 0.04 -0.11 -0.04 7.15 6.96 1cf5B1 TYR 164 HE2 -0.13 -0.10 -0.04 -0.04 6.85 6.54 1cf5B1 ILE 165 H 0.25 0.24 -0.24 -0.55 8.25 7.95 1cf5B1 ILE 165 HA 0.03 -0.09 0.48 -0.75 4.18 3.85 1cf5B1 ILE 165 HB 0.21 0.31 0.02 -0.04 1.89 2.38 1cf5B1 ILE 165 HG12 0.11 -0.16 0.01 -0.04 1.49 1.41 1cf5B1 ILE 165 HG13 0.18 -0.11 0.01 -0.04 1.21 1.25 1cf5B1 ILE 165 HG23 0.17 -0.03 -0.09 -0.04 0.93 0.94 1cf5B1 ILE 165 HD13 0.14 0.04 -0.02 -0.04 0.88 1.01 1cf5B1 GLU 166 H 0.15 0.55 0.01 -0.55 8.60 8.76 1cf5B1 GLU 166 HA 0.24 -0.03 0.24 -0.75 4.29 3.99 1cf5B1 GLU 166 HB2 0.04 0.13 -0.03 -0.04 2.09 2.19 1cf5B1 GLU 166 HB3 0.07 0.04 0.12 -0.04 1.99 2.18 1cf5B1 GLU 166 HG2 0.06 -0.08 -0.34 -0.04 2.34 1.94 1cf5B1 GLU 166 HG3 -0.14 -0.02 -0.06 -0.04 2.34 2.08 1cf5B1 ARG 167 H 0.10 0.75 -0.25 -0.55 8.46 8.51 1cf5B1 ARG 167 HA 0.07 0.05 0.55 -0.75 4.34 4.26 1cf5B1 ARG 167 HB2 0.04 0.12 0.07 -0.04 1.90 2.10 1cf5B1 ARG 167 HB3 -0.04 -0.06 -0.02 -0.04 1.80 1.63 1cf5B1 ARG 167 HG2 0.02 -0.03 0.00 -0.04 1.67 1.61 1cf5B1 ARG 167 HG3 0.04 0.04 -0.04 -0.04 1.67 1.68 1cf5B1 ARG 167 HD2 0.06 -0.00 -0.08 -0.04 3.22 3.15 1cf5B1 ARG 167 HD3 0.01 -0.05 -0.04 -0.04 3.22 3.10 1cf5B1 HIS 168 H 0.11 0.60 0.08 -0.55 8.41 8.66 1cf5B1 HIS 168 HA -0.23 -0.02 0.34 -0.75 4.63 3.98 1cf5B1 HIS 168 HB2 -0.18 0.11 0.23 -0.04 3.26 3.39 1cf5B1 HIS 168 HB3 -0.66 -0.06 0.04 -0.04 3.20 2.47 1cf5B1 HIS 168 HD2 -0.73 0.33 0.18 -0.04 6.97 6.70 1cf5B1 HIS 168 HE1 -0.09 -0.03 0.02 -0.04 7.75 7.60 1cf5B1 VAL 169 H 0.18 0.55 -0.30 -0.55 8.24 8.13 1cf5B1 VAL 169 HA 0.36 -0.04 0.12 -0.75 4.13 3.82 1cf5B1 VAL 169 HB 0.38 -0.11 0.01 -0.04 2.12 2.35 1cf5B1 VAL 169 HG13 0.31 0.19 0.05 -0.04 0.97 1.49 1cf5B1 VAL 169 HG23 -0.33 -0.02 -0.13 -0.04 0.95 0.44 1cf5B1 ALA 170 H 0.17 0.37 -0.35 -0.55 8.40 8.04 1cf5B1 ALA 170 HA 0.22 -0.05 0.27 -0.75 4.34 4.03 1cf5B1 ALA 170 HB3 0.19 0.07 0.18 -0.04 1.41 1.81 1cf5B1 LYS 171 H -0.03 0.45 -0.36 -0.55 8.42 7.93 1cf5B1 LYS 171 HA -0.12 0.00 0.45 -0.75 4.32 3.90 1cf5B1 LYS 171 HB2 -0.28 0.31 0.11 -0.04 1.87 1.97 1cf5B1 LYS 171 HB3 -0.71 -0.08 -0.24 -0.04 1.79 0.73 1cf5B1 LYS 171 HG2 -0.21 -0.05 0.01 -0.04 1.46 1.17 1cf5B1 LYS 171 HG3 -0.21 0.05 -0.04 -0.04 1.46 1.22 1cf5B1 LYS 171 HD2 -0.25 -0.03 -0.03 -0.04 1.69 1.34 1cf5B1 LYS 171 HD3 -0.38 -0.00 -0.03 -0.04 1.68 1.23 1cf5B1 LYS 171 HE2 -0.86 0.02 -0.13 -0.04 2.99 1.98 1cf5B1 LYS 171 HE3 -0.35 -0.02 -0.03 -0.04 2.99 2.55 1cf5B1 TYR 172 H 0.20 0.34 -0.10 -0.55 8.29 8.17 1cf5B1 TYR 172 HA 0.03 0.06 0.92 -0.75 4.56 4.81 1cf5B1 TYR 172 HB2 0.26 -0.03 0.26 -0.04 3.06 3.50 1cf5B1 TYR 172 HB3 0.16 0.21 -0.05 -0.04 2.98 3.25 1cf5B1 TYR 172 HD2 -0.14 0.13 -0.08 -0.04 7.15 7.01 1cf5B1 TYR 172 HE2 -0.29 0.00 -0.06 -0.04 6.85 6.46 1cf5B1 VAL 173 H 0.04 0.41 -0.32 -0.55 8.24 7.82 1cf5B1 VAL 173 HA 0.09 0.05 0.74 -0.75 4.13 4.27 1cf5B1 VAL 173 HB 0.10 0.05 0.07 -0.04 2.12 2.30 1cf5B1 VAL 173 HG13 0.06 -0.03 -0.03 -0.04 0.97 0.93 1cf5B1 VAL 173 HG23 0.04 -0.01 -0.13 -0.04 0.95 0.81 1cf5B1 ALA 174 H 0.07 0.05 -0.00 -0.55 8.40 7.97 1cf5B1 ALA 174 HA 0.05 0.23 0.79 -0.75 4.34 4.65 1cf5B1 ALA 174 HB3 0.01 0.01 0.09 -0.04 1.41 1.48 1cf5B1 THR 175 H 0.15 0.27 -0.07 -0.55 8.28 8.08 1cf5B1 THR 175 HA 0.09 0.15 0.67 -0.75 4.39 4.55 1cf5B1 THR 175 HB 0.09 0.02 -0.41 -0.04 4.32 3.98 1cf5B1 THR 175 HG23 0.34 -0.02 -0.07 -0.04 1.22 1.43 1cf5B1 ASN 176 H 0.10 0.23 0.20 -0.55 8.53 8.52 1cf5B1 ASN 176 HA 0.06 0.25 1.18 -0.75 4.76 5.50 1cf5B1 ASN 176 HB2 -0.02 -0.07 -0.05 -0.04 2.88 2.70 1cf5B1 ASN 176 HB3 -0.13 0.06 -0.13 -0.04 2.79 2.55 1cf5B1 ASN 176 HD21 0.00 -0.13 -0.24 -0.04 7.03 6.63 1cf5B1 ASN 176 HD22 -0.01 0.03 -0.18 -0.04 7.74 7.55 1cf5B1 PHE 177 H -0.42 0.46 0.25 -0.55 8.34 8.08 1cf5B1 PHE 177 HA -0.26 0.20 0.97 -0.75 4.62 4.78 1cf5B1 PHE 177 HB2 -0.30 0.15 -0.01 -0.04 3.15 2.95 1cf5B1 PHE 177 HB3 -1.16 -0.00 -0.09 -0.04 3.06 1.77 1cf5B1 PHE 177 HD2 -0.46 0.05 -0.25 -0.04 7.28 6.57 1cf5B1 PHE 177 HE2 -0.01 -0.03 -0.15 -0.04 7.38 7.15 1cf5B1 PHE 177 HZ 0.03 0.03 -0.15 -0.04 7.32 7.18 1cf5B1 LYS 178 H 0.01 0.15 0.14 -0.55 8.42 8.16 1cf5B1 LYS 178 HA -0.12 0.25 0.81 -0.75 4.32 4.49 1cf5B1 LYS 178 HB2 0.01 -0.07 0.07 -0.04 1.87 1.84 1cf5B1 LYS 178 HB3 -0.02 0.23 0.02 -0.04 1.79 1.98 1cf5B1 LYS 178 HG2 -0.03 -0.09 -0.04 -0.04 1.46 1.26 1cf5B1 LYS 178 HG3 -0.02 0.01 -0.00 -0.04 1.46 1.41 1cf5B1 LYS 178 HD2 -0.05 0.18 -0.10 -0.04 1.69 1.68 1cf5B1 LYS 178 HD3 -0.08 0.02 -0.29 -0.04 1.68 1.28 1cf5B1 LYS 178 HE2 -0.05 0.01 -0.31 -0.04 2.99 2.59 1cf5B1 LYS 178 HE3 -0.04 -0.04 -0.14 -0.04 2.99 2.73 1cf5B1 PRO 179 HA 0.18 -0.04 0.50 -0.51 4.44 4.57 1cf5B1 PRO 179 HB2 -0.04 0.00 -0.04 -0.04 2.28 2.17 1cf5B1 PRO 179 HB3 -0.00 -0.15 -0.03 -0.04 2.02 1.80 1cf5B1 PRO 179 HG2 -0.11 0.17 0.04 -0.04 2.03 2.09 1cf5B1 PRO 179 HG3 -0.10 -0.02 0.03 -0.04 2.03 1.90 1cf5B1 PRO 179 HD2 -0.10 0.19 0.23 -0.04 3.68 3.95 1cf5B1 PRO 179 HD3 -0.25 0.25 0.23 -0.04 3.65 3.84 1cf5B1 ASN 180 H 0.09 -0.07 0.22 -0.55 8.53 8.22 1cf5B1 ASN 180 HA 0.06 0.43 -0.04 -0.75 4.76 4.46 1cf5B1 ASN 180 HB2 0.10 0.11 0.16 -0.04 2.88 3.22 1cf5B1 ASN 180 HB3 0.14 0.14 0.10 -0.04 2.79 3.13 1cf5B1 ASN 180 HD21 0.31 0.01 0.05 -0.04 7.03 7.35 1cf5B1 ASN 180 HD22 0.27 0.13 0.06 -0.04 7.74 8.17 1cf5B1 LEU 181 H 0.02 -0.20 0.07 -0.55 8.37 7.71 1cf5B1 LEU 181 HA -0.01 -0.01 0.31 -0.75 4.35 3.89 1cf5B1 LEU 181 HB2 0.02 0.69 0.92 -0.04 1.64 3.23 1cf5B1 LEU 181 HB3 0.02 0.06 -0.32 -0.04 1.64 1.36 1cf5B1 LEU 181 HG 0.00 -0.10 0.03 -0.04 1.64 1.54 1cf5B1 LEU 181 HD13 0.00 0.00 0.02 -0.04 0.93 0.91 1cf5B1 LEU 181 HD23 0.02 0.05 0.01 -0.04 0.89 0.92 1cf5B1 ALA 182 H 0.03 0.04 -0.17 -0.55 8.40 7.75 1cf5B1 ALA 182 HA -0.06 0.35 0.60 -0.75 4.34 4.47 1cf5B1 ALA 182 HB3 -0.14 0.01 0.09 -0.04 1.41 1.33 1cf5B1 ILE 183 H 0.05 -0.00 0.12 -0.55 8.25 7.87 1cf5B1 ILE 183 HA -0.00 0.17 0.51 -0.75 4.18 4.10 1cf5B1 ILE 183 HB 0.04 -0.29 0.15 -0.04 1.89 1.75 1cf5B1 ILE 183 HG12 -0.01 0.09 0.01 -0.04 1.49 1.55 1cf5B1 ILE 183 HG13 -0.00 -0.07 0.10 -0.04 1.21 1.19 1cf5B1 ILE 183 HG23 0.04 0.06 -0.14 -0.04 0.93 0.86 1cf5B1 ILE 183 HD13 0.11 0.03 0.04 -0.04 0.88 1.01 1cf5B1 ILE 184 H -0.03 -0.16 -0.24 -0.55 8.25 7.27 1cf5B1 ILE 184 HA -0.09 0.14 0.45 -0.75 4.18 3.93 1cf5B1 ILE 184 HB -0.04 -0.04 0.06 -0.04 1.89 1.82 1cf5B1 ILE 184 HG12 -0.03 -0.19 -0.14 -0.04 1.49 1.09 1cf5B1 ILE 184 HG13 -0.05 0.12 -0.09 -0.04 1.21 1.14 1cf5B1 ILE 184 HG23 -0.07 0.04 -0.11 -0.04 0.93 0.74 1cf5B1 ILE 184 HD13 -0.11 0.03 -0.17 -0.04 0.88 0.59 1cf5B1 SER 185 H -0.05 0.19 -0.13 -0.55 8.46 7.93 1cf5B1 SER 185 HA -0.04 0.05 0.38 -0.75 4.49 4.11 1cf5B1 SER 185 HB2 -0.05 0.29 0.11 -0.04 3.95 4.25 1cf5B1 SER 185 HB3 -0.10 0.02 -0.04 -0.04 3.93 3.77 1cf5B1 LEU 186 H -0.17 0.50 -0.37 -0.55 8.37 7.78 1cf5B1 LEU 186 HA -0.30 0.00 0.58 -0.75 4.35 3.88 1cf5B1 LEU 186 HB2 -0.31 0.25 0.15 -0.04 1.64 1.69 1cf5B1 LEU 186 HB3 -0.71 0.04 -0.11 -0.04 1.64 0.81 1cf5B1 LEU 186 HG -1.50 0.01 -0.05 -0.04 1.64 0.06 1cf5B1 LEU 186 HD13 -0.30 -0.02 0.01 -0.04 0.93 0.59 1cf5B1 LEU 186 HD23 -0.36 -0.02 -0.10 -0.04 0.89 0.37 1cf5B1 GLU 187 H -0.09 0.54 0.05 -0.55 8.60 8.56 1cf5B1 GLU 187 HA 0.20 0.02 0.43 -0.75 4.29 4.19 1cf5B1 GLU 187 HB2 -0.04 0.07 0.32 -0.04 2.09 2.40 1cf5B1 GLU 187 HB3 0.08 -0.09 0.12 -0.04 1.99 2.06 1cf5B1 GLU 187 HG2 0.10 -0.03 0.10 -0.04 2.34 2.47 1cf5B1 GLU 187 HG3 0.00 0.23 0.18 -0.04 2.34 2.71 1cf5B1 ASN 188 H 0.03 0.38 -0.27 -0.55 8.53 8.13 1cf5B1 ASN 188 HA 0.14 -0.01 0.07 -0.75 4.76 4.21 1cf5B1 ASN 188 HB2 0.02 0.08 -0.02 -0.04 2.88 2.92 1cf5B1 ASN 188 HB3 0.05 0.01 -0.04 -0.04 2.79 2.77 1cf5B1 ASN 188 HD21 -0.02 -0.05 -0.08 -0.04 7.03 6.84 1cf5B1 ASN 188 HD22 -0.00 0.05 -0.09 -0.04 7.74 7.65 1cf5B1 GLN 189 H 0.11 0.43 -0.28 -0.55 8.47 8.18 1cf5B1 GLN 189 HA 0.12 0.13 0.96 -0.75 4.36 4.82 1cf5B1 GLN 189 HB2 0.04 0.18 0.23 -0.04 2.15 2.55 1cf5B1 GLN 189 HB3 0.06 -0.15 0.24 -0.04 2.02 2.13 1cf5B1 GLN 189 HG2 0.02 -0.07 -0.13 -0.04 2.40 2.18 1cf5B1 GLN 189 HG3 -0.01 0.22 0.09 -0.04 2.39 2.65 1cf5B1 GLN 189 HE21 0.02 -0.01 0.04 -0.04 6.97 6.98 1cf5B1 GLN 189 HE22 -0.00 0.07 0.07 -0.04 7.69 7.79 1cf5B1 TRP 190 H 0.45 0.41 -0.15 -0.55 7.97 8.13 1cf5B1 TRP 190 HA 0.27 0.03 0.32 -0.75 4.62 4.49 1cf5B1 TRP 190 HB2 0.38 0.15 0.13 -0.04 3.23 3.85 1cf5B1 TRP 190 HB3 0.16 -0.05 0.11 -0.04 3.23 3.41 1cf5B1 TRP 190 HD1 -0.47 -0.00 0.01 -0.04 7.22 6.72 1cf5B1 TRP 190 HE1 -0.32 0.19 -0.07 -0.04 10.20 9.97 1cf5B1 TRP 190 HE3 0.11 -0.05 -0.07 -0.04 7.59 7.53 1cf5B1 TRP 190 HZ2 -0.11 0.03 -0.30 -0.04 7.44 7.02 1cf5B1 TRP 190 HZ3 0.08 -0.01 0.00 -0.04 7.13 7.17 1cf5B1 TRP 190 HH2 -0.06 -0.01 -0.09 -0.04 7.19 6.99 1cf5B1 SER 191 H 0.39 0.19 -0.03 -0.55 8.46 8.47 1cf5B1 SER 191 HA -0.08 0.06 0.54 -0.75 4.49 4.26 1cf5B1 SER 191 HB2 0.04 0.08 -0.03 -0.04 3.95 4.00 1cf5B1 SER 191 HB3 0.16 0.01 0.11 -0.04 3.93 4.17 1cf5B1 ALA 192 H 0.06 0.18 -0.43 -0.55 8.40 7.65 1cf5B1 ALA 192 HA -0.05 0.11 0.33 -0.75 4.34 3.97 1cf5B1 ALA 192 HB3 0.02 0.03 0.09 -0.04 1.41 1.51 1cf5B1 LEU 193 H 0.05 0.75 0.16 -0.55 8.37 8.78 1cf5B1 LEU 193 HA -0.00 -0.03 0.41 -0.75 4.35 3.98 1cf5B1 LEU 193 HB2 0.17 0.16 0.19 -0.04 1.64 2.11 1cf5B1 LEU 193 HB3 0.09 0.07 0.06 -0.04 1.64 1.81 1cf5B1 LEU 193 HG 0.21 -0.05 0.00 -0.04 1.64 1.76 1cf5B1 LEU 193 HD13 0.15 -0.01 0.01 -0.04 0.93 1.04 1cf5B1 LEU 193 HD23 0.31 0.00 -0.06 -0.04 0.89 1.10 1cf5B1 SER 194 H -0.25 0.69 -0.08 -0.55 8.46 8.27 1cf5B1 SER 194 HA -0.24 0.00 0.15 -0.75 4.49 3.64 1cf5B1 SER 194 HB2 -0.59 0.13 0.24 -0.04 3.95 3.70 1cf5B1 SER 194 HB3 -0.55 0.05 0.14 -0.04 3.93 3.54 1cf5B1 LYS 195 H -0.20 0.51 -0.22 -0.55 8.42 7.95 1cf5B1 LYS 195 HA -0.14 -0.04 0.33 -0.75 4.32 3.72 1cf5B1 LYS 195 HB2 -0.12 0.17 0.20 -0.04 1.87 2.08 1cf5B1 LYS 195 HB3 -0.12 0.08 0.24 -0.04 1.79 1.95 1cf5B1 LYS 195 HG2 -0.07 -0.11 -0.18 -0.04 1.46 1.07 1cf5B1 LYS 195 HG3 -0.07 -0.05 -0.13 -0.04 1.46 1.16 1cf5B1 LYS 195 HD2 -0.06 0.28 0.05 -0.04 1.69 1.92 1cf5B1 LYS 195 HD3 -0.05 -0.07 0.01 -0.04 1.68 1.53 1cf5B1 LYS 195 HE2 -0.02 0.01 -0.05 -0.04 2.99 2.88 1cf5B1 LYS 195 HE3 -0.03 -0.08 -0.04 -0.04 2.99 2.81 1cf5B1 GLN 196 H -0.25 0.69 -0.03 -0.55 8.47 8.34 1cf5B1 GLN 196 HA -0.25 -0.07 0.15 -0.75 4.36 3.43 1cf5B1 GLN 196 HB2 -0.81 0.12 0.15 -0.04 2.15 1.58 1cf5B1 GLN 196 HB3 -1.72 -0.09 -0.04 -0.04 2.02 0.13 1cf5B1 GLN 196 HG2 -0.21 0.05 0.07 -0.04 2.40 2.26 1cf5B1 GLN 196 HG3 -0.25 0.19 0.04 -0.04 2.39 2.32 1cf5B1 GLN 196 HE21 -0.04 -0.06 0.05 -0.04 6.97 6.89 1cf5B1 GLN 196 HE22 -0.07 0.12 0.02 -0.04 7.69 7.72 1cf5B1 ILE 197 H -0.26 0.75 -0.00 -0.55 8.25 8.19 1cf5B1 ILE 197 HA 0.04 -0.04 0.25 -0.75 4.18 3.67 1cf5B1 ILE 197 HB -0.01 0.14 0.02 -0.04 1.89 2.00 1cf5B1 ILE 197 HG12 0.20 -0.09 -0.04 -0.04 1.49 1.53 1cf5B1 ILE 197 HG13 0.03 0.05 -0.00 -0.04 1.21 1.25 1cf5B1 ILE 197 HG23 0.16 0.00 -0.13 -0.04 0.93 0.92 1cf5B1 ILE 197 HD13 0.10 -0.01 -0.08 -0.04 0.88 0.85 1cf5B1 PHE 198 H 0.07 0.42 -0.58 -0.55 8.34 7.69 1cf5B1 PHE 198 HA -0.02 -0.03 0.11 -0.75 4.62 3.93 1cf5B1 PHE 198 HB2 -0.10 0.12 0.12 -0.04 3.15 3.25 1cf5B1 PHE 198 HB3 -0.10 0.34 0.30 -0.04 3.06 3.56 1cf5B1 PHE 198 HD2 -0.05 0.02 -0.02 -0.04 7.28 7.18 1cf5B1 PHE 198 HE2 0.02 -0.02 -0.03 -0.04 7.38 7.31 1cf5B1 PHE 198 HZ 0.01 -0.03 -0.02 -0.04 7.32 7.24 1cf5B1 LEU 199 H 0.09 0.41 0.14 -0.55 8.37 8.47 1cf5B1 LEU 199 HA -0.10 -0.02 0.39 -0.75 4.35 3.87 1cf5B1 LEU 199 HB2 -0.03 0.06 0.13 -0.04 1.64 1.76 1cf5B1 LEU 199 HB3 -0.01 -0.04 0.04 -0.04 1.64 1.58 1cf5B1 LEU 199 HG 0.04 -0.03 0.06 -0.04 1.64 1.68 1cf5B1 LEU 199 HD13 0.20 0.03 0.02 -0.04 0.93 1.14 1cf5B1 LEU 199 HD23 0.00 -0.01 -0.00 -0.04 0.89 0.84 1cf5B1 ALA 200 H -0.01 0.48 -0.72 -0.55 8.40 7.60 1cf5B1 ALA 200 HA 0.09 0.13 0.31 -0.75 4.34 4.12 1cf5B1 ALA 200 HB3 0.20 0.03 -0.08 -0.04 1.41 1.52 1cf5B1 GLN 201 H -0.05 0.61 -0.18 -0.55 8.47 8.30 1cf5B1 GLN 201 HA -0.10 -0.03 0.38 -0.75 4.36 3.85 1cf5B1 GLN 201 HB2 -0.31 0.14 0.15 -0.04 2.15 2.09 1cf5B1 GLN 201 HB3 -0.21 -0.08 -0.02 -0.04 2.02 1.67 1cf5B1 GLN 201 HG2 -0.32 -0.09 0.08 -0.04 2.40 2.03 1cf5B1 GLN 201 HG3 -0.26 0.08 0.13 -0.04 2.39 2.31 1cf5B1 GLN 201 HE21 -1.06 -0.10 -0.01 -0.04 6.97 5.76 1cf5B1 GLN 201 HE22 -0.97 0.41 0.09 -0.04 7.69 7.19 1cf5B1 ASN 202 H -0.08 0.47 -0.23 -0.55 8.53 8.15 1cf5B1 ASN 202 HA -0.05 0.01 0.27 -0.75 4.76 4.23 1cf5B1 ASN 202 HB2 -0.08 -0.05 0.11 -0.04 2.88 2.83 1cf5B1 ASN 202 HB3 -0.03 0.12 0.07 -0.04 2.79 2.91 1cf5B1 ASN 202 HD21 -0.02 -0.04 0.03 -0.04 7.03 6.96 1cf5B1 ASN 202 HD22 -0.05 -0.01 0.03 -0.04 7.74 7.67 1cf5B1 GLN 203 H 0.03 0.30 -0.31 -0.55 8.47 7.94 1cf5B1 GLN 203 HA 0.02 0.17 0.69 -0.75 4.36 4.49 1cf5B1 GLN 203 HB2 0.04 -0.10 0.24 -0.04 2.15 2.28 1cf5B1 GLN 203 HB3 0.02 0.02 0.13 -0.04 2.02 2.15 1cf5B1 GLN 203 HG2 0.01 0.00 -0.11 -0.04 2.40 2.27 1cf5B1 GLN 203 HG3 0.01 -0.09 -0.37 -0.04 2.39 1.91 1cf5B1 GLN 203 HE21 0.07 0.10 -0.20 -0.04 6.97 6.90 1cf5B1 GLN 203 HE22 0.05 0.04 0.01 -0.04 7.69 7.74 1cf5B1 GLY 204 H 0.04 0.27 -0.05 -0.55 8.43 8.14 1cf5B1 GLY 204 HA2 0.06 0.02 0.39 -0.51 4.01 3.97 1cf5B1 GLY 204 HA3 0.04 0.01 0.12 -0.51 4.01 3.66 1cf5B1 GLY 205 H 0.09 0.41 0.10 -0.55 8.43 8.48 1cf5B1 GLY 205 HA2 0.03 0.06 0.36 -0.51 4.01 3.94 1cf5B1 GLY 205 HA3 -0.03 0.04 0.51 -0.51 4.01 4.03 1cf5B1 LYS 206 H 0.08 0.43 0.37 -0.55 8.42 8.76 1cf5B1 LYS 206 HA 0.06 0.08 0.91 -0.75 4.32 4.62 1cf5B1 LYS 206 HB2 0.07 0.03 0.11 -0.04 1.87 2.04 1cf5B1 LYS 206 HB3 0.06 0.09 0.07 -0.04 1.79 1.97 1cf5B1 LYS 206 HG2 0.02 -0.03 0.00 -0.04 1.46 1.41 1cf5B1 LYS 206 HG3 0.03 -0.07 0.01 -0.04 1.46 1.38 1cf5B1 LYS 206 HD2 0.03 0.03 0.03 -0.04 1.69 1.74 1cf5B1 LYS 206 HD3 0.02 -0.02 -0.00 -0.04 1.68 1.64 1cf5B1 LYS 206 HE2 0.01 -0.04 -0.05 -0.04 2.99 2.88 1cf5B1 LYS 206 HE3 0.02 0.00 -0.14 -0.04 2.99 2.83 1cf5B1 PHE 207 H 0.22 0.45 0.22 -0.55 8.34 8.68 1cf5B1 PHE 207 HA 0.01 0.10 0.67 -0.75 4.62 4.65 1cf5B1 PHE 207 HB2 -0.00 0.09 -0.03 -0.04 3.15 3.16 1cf5B1 PHE 207 HB3 -0.00 0.11 -0.38 -0.04 3.06 2.74 1cf5B1 PHE 207 HD2 -0.01 0.01 -0.39 -0.04 7.28 6.85 1cf5B1 PHE 207 HE2 -0.02 -0.03 -0.29 -0.04 7.38 7.00 1cf5B1 PHE 207 HZ -0.00 -0.03 -0.18 -0.04 7.32 7.07 1cf5B1 ARG 208 H 0.03 0.12 0.04 -0.55 8.46 8.10 1cf5B1 ARG 208 HA 0.05 0.10 0.42 -0.75 4.34 4.15 1cf5B1 ARG 208 HB2 0.02 0.02 0.07 -0.04 1.90 1.96 1cf5B1 ARG 208 HB3 0.01 -0.04 0.08 -0.04 1.80 1.81 1cf5B1 ARG 208 HG2 0.02 0.00 -0.09 -0.04 1.67 1.56 1cf5B1 ARG 208 HG3 0.02 0.01 0.03 -0.04 1.67 1.69 1cf5B1 ARG 208 HD2 0.01 0.00 -0.00 -0.04 3.22 3.19 1cf5B1 ARG 208 HD3 0.01 -0.01 -0.02 -0.04 3.22 3.16 1cf5B1 ASN 209 H 0.03 0.08 -0.03 -0.55 8.53 8.07 1cf5B1 ASN 209 HA 0.05 0.22 0.80 -0.75 4.76 5.08 1cf5B1 ASN 209 HB2 0.02 0.01 -0.04 -0.04 2.88 2.83 1cf5B1 ASN 209 HB3 0.01 -0.06 0.09 -0.04 2.79 2.78 1cf5B1 ASN 209 HD21 0.02 -0.04 -0.05 -0.04 7.03 6.92 1cf5B1 ASN 209 HD22 0.03 -0.11 -0.22 -0.04 7.74 7.39 1cf5B1 PRO 210 HA 0.24 0.09 0.61 -0.51 4.44 4.87 1cf5B1 PRO 210 HB2 0.03 -0.04 -0.11 -0.04 2.28 2.12 1cf5B1 PRO 210 HB3 0.02 0.01 0.00 -0.04 2.02 2.01 1cf5B1 PRO 210 HG2 0.03 0.00 0.03 -0.04 2.03 2.05 1cf5B1 PRO 210 HG3 0.05 0.08 0.02 -0.04 2.03 2.13 1cf5B1 PRO 210 HD2 0.04 0.06 0.17 -0.04 3.68 3.90 1cf5B1 PRO 210 HD3 0.06 0.26 0.15 -0.04 3.65 4.08 1cf5B1 VAL 211 H 0.16 0.54 0.27 -0.55 8.24 8.67 1cf5B1 VAL 211 HA 0.04 0.17 0.93 -0.75 4.13 4.52 1cf5B1 VAL 211 HB 0.22 -0.06 0.15 -0.04 2.12 2.39 1cf5B1 VAL 211 HG13 0.03 -0.01 -0.06 -0.04 0.97 0.89 1cf5B1 VAL 211 HG23 0.07 0.04 -0.21 -0.04 0.95 0.82 1cf5B1 ASP 212 H -0.02 0.18 0.18 -0.55 8.40 8.19 1cf5B1 ASP 212 HA -0.13 0.08 0.79 -0.75 4.63 4.61 1cf5B1 ASP 212 HB2 -0.04 -0.04 0.14 -0.04 2.71 2.73 1cf5B1 ASP 212 HB3 -0.07 0.07 -0.06 -0.04 2.70 2.59 1cf5B1 LEU 213 H -0.43 0.88 0.46 -0.55 8.37 8.73 1cf5B1 LEU 213 HA -0.22 0.17 0.80 -0.75 4.35 4.35 1cf5B1 LEU 213 HB2 -1.38 -0.03 -0.04 -0.04 1.64 0.15 1cf5B1 LEU 213 HB3 -0.48 -0.05 0.11 -0.04 1.64 1.17 1cf5B1 LEU 213 HG -0.27 -0.00 -0.31 -0.04 1.64 1.01 1cf5B1 LEU 213 HD13 -0.14 -0.02 -0.06 -0.04 0.93 0.67 1cf5B1 LEU 213 HD23 -0.12 0.05 -0.14 -0.04 0.89 0.63 1cf5B1 ILE 214 H -0.09 0.21 0.20 -0.55 8.25 8.01 1cf5B1 ILE 214 HA 0.12 0.22 0.59 -0.75 4.18 4.36 1cf5B1 ILE 214 HB -0.01 -0.05 0.08 -0.04 1.89 1.87 1cf5B1 ILE 214 HG12 0.02 0.05 -0.07 -0.04 1.49 1.44 1cf5B1 ILE 214 HG13 -0.03 0.22 -0.33 -0.04 1.21 1.03 1cf5B1 ILE 214 HG23 0.03 -0.00 -0.21 -0.04 0.93 0.71 1cf5B1 ILE 214 HD13 -0.01 -0.02 -0.08 -0.04 0.88 0.73 1cf5B1 LYS 215 H 0.12 0.37 0.04 -0.55 8.42 8.40 1cf5B1 LYS 215 HA 0.07 0.17 0.72 -0.75 4.32 4.53 1cf5B1 LYS 215 HB2 0.04 -0.04 0.11 -0.04 1.87 1.93 1cf5B1 LYS 215 HB3 -0.00 -0.09 0.05 -0.04 1.79 1.71 1cf5B1 LYS 215 HG2 -0.17 0.01 -0.00 -0.04 1.46 1.26 1cf5B1 LYS 215 HG3 -0.06 -0.00 -0.15 -0.04 1.46 1.20 1cf5B1 LYS 215 HD2 -0.07 0.08 -0.14 -0.04 1.69 1.52 1cf5B1 LYS 215 HD3 -0.11 -0.03 -0.05 -0.04 1.68 1.45 1cf5B1 LYS 215 HE2 -0.39 -0.00 -0.06 -0.04 2.99 2.49 1cf5B1 LYS 215 HE3 -1.00 -0.02 -0.13 -0.04 2.99 1.80 1cf5B1 PRO 216 HA 0.06 0.09 0.15 -0.51 4.44 4.22 1cf5B1 PRO 216 HB2 0.06 0.08 0.11 -0.04 2.28 2.50 1cf5B1 PRO 216 HB3 0.11 0.06 0.13 -0.04 2.02 2.27 1cf5B1 PRO 216 HG2 0.12 0.11 0.09 -0.04 2.03 2.31 1cf5B1 PRO 216 HG3 0.15 -0.07 0.07 -0.04 2.03 2.14 1cf5B1 PRO 216 HD2 0.01 0.14 0.18 -0.04 3.68 3.98 1cf5B1 PRO 216 HD3 0.01 0.15 0.22 -0.04 3.65 3.98 1cf5B1 THR 217 H 0.02 -0.05 -0.61 -0.55 8.28 7.10 1cf5B1 THR 217 HA 0.02 0.17 0.13 -0.75 4.39 3.96 1cf5B1 THR 217 HB 0.01 0.07 0.06 -0.04 4.32 4.42 1cf5B1 THR 217 HG23 0.01 0.00 -0.02 -0.04 1.22 1.17 1cf5B1 GLY 218 H 0.03 0.57 -0.37 -0.55 8.43 8.11 1cf5B1 GLY 218 HA2 0.02 0.06 0.26 -0.51 4.01 3.84 1cf5B1 GLY 218 HA3 0.02 0.16 0.46 -0.51 4.01 4.14 1cf5B1 GLN 219 H 0.03 -0.07 -0.24 -0.55 8.47 7.65 1cf5B1 GLN 219 HA 0.04 0.14 0.26 -0.75 4.36 4.05 1cf5B1 GLN 219 HB2 0.01 -0.11 -0.05 -0.04 2.15 1.95 1cf5B1 GLN 219 HB3 0.02 0.09 -0.13 -0.04 2.02 1.96 1cf5B1 GLN 219 HG2 0.00 0.08 -0.07 -0.04 2.40 2.38 1cf5B1 GLN 219 HG3 0.00 -0.04 -0.13 -0.04 2.39 2.18 1cf5B1 GLN 219 HE21 -0.04 0.00 -0.05 -0.04 6.97 6.84 1cf5B1 GLN 219 HE22 -0.01 0.05 -0.06 -0.04 7.69 7.62 1cf5B1 ARG 220 H 0.07 0.18 0.21 -0.55 8.46 8.36 1cf5B1 ARG 220 HA 0.13 0.18 0.60 -0.75 4.34 4.50 1cf5B1 ARG 220 HB2 0.04 -0.04 0.19 -0.04 1.90 2.05 1cf5B1 ARG 220 HB3 0.04 -0.01 -0.01 -0.04 1.80 1.77 1cf5B1 ARG 220 HG2 -0.01 0.02 0.02 -0.04 1.67 1.66 1cf5B1 ARG 220 HG3 0.01 0.03 0.05 -0.04 1.67 1.72 1cf5B1 ARG 220 HD2 0.02 0.03 0.04 -0.04 3.22 3.27 1cf5B1 ARG 220 HD3 0.01 -0.02 0.02 -0.04 3.22 3.18 1cf5B1 PHE 221 H 0.22 0.28 0.14 -0.55 8.34 8.42 1cf5B1 PHE 221 HA -0.02 0.18 0.58 -0.75 4.62 4.61 1cf5B1 PHE 221 HB2 -0.03 0.05 0.08 -0.04 3.15 3.21 1cf5B1 PHE 221 HB3 -0.03 0.04 -0.05 -0.04 3.06 2.99 1cf5B1 PHE 221 HD2 -0.04 0.05 -0.17 -0.04 7.28 7.08 1cf5B1 PHE 221 HE2 -0.06 -0.04 -0.27 -0.04 7.38 6.98 1cf5B1 PHE 221 HZ -0.10 -0.00 -0.10 -0.04 7.32 7.08 1cf5B1 GLN 222 H 0.06 0.22 0.13 -0.55 8.47 8.33 1cf5B1 GLN 222 HA -0.22 0.20 0.79 -0.75 4.36 4.38 1cf5B1 GLN 222 HB2 -0.03 0.09 -0.14 -0.04 2.15 2.02 1cf5B1 GLN 222 HB3 -0.05 0.00 -0.06 -0.04 2.02 1.88 1cf5B1 GLN 222 HG2 0.01 -0.06 0.02 -0.04 2.40 2.33 1cf5B1 GLN 222 HG3 -0.01 -0.03 -0.00 -0.04 2.39 2.31 1cf5B1 GLN 222 HE21 0.01 0.04 -0.03 -0.04 6.97 6.94 1cf5B1 GLN 222 HE22 -0.00 -0.04 -0.04 -0.04 7.69 7.57 1cf5B1 VAL 223 H -0.15 0.52 0.23 -0.55 8.24 8.29 1cf5B1 VAL 223 HA -0.06 0.03 0.83 -0.75 4.13 4.18 1cf5B1 VAL 223 HB -0.03 -0.11 0.17 -0.04 2.12 2.12 1cf5B1 VAL 223 HG13 -0.08 0.03 0.08 -0.04 0.97 0.96 1cf5B1 VAL 223 HG23 -0.15 0.00 -0.04 -0.04 0.95 0.72 1cf5B1 THR 224 H -0.26 -0.02 0.20 -0.55 8.28 7.65 1cf5B1 THR 224 HA -0.28 0.21 0.98 -0.75 4.39 4.55 1cf5B1 THR 224 HB -0.08 0.03 -0.12 -0.04 4.32 4.11 1cf5B1 THR 224 HG23 -0.10 -0.00 -0.03 -0.04 1.22 1.04 1cf5B1 ASN 225 H -0.47 -0.07 0.23 -0.55 8.53 7.68 1cf5B1 ASN 225 HA -0.33 0.37 1.02 -0.75 4.76 5.07 1cf5B1 ASN 225 HB2 -0.18 -0.09 0.09 -0.04 2.88 2.66 1cf5B1 ASN 225 HB3 -0.16 -0.32 0.17 -0.04 2.79 2.44 1cf5B1 ASN 225 HD21 -0.04 -0.02 -0.13 -0.04 7.03 6.80 1cf5B1 ASN 225 HD22 -0.07 0.20 0.04 -0.04 7.74 7.87 1cf5B1 VAL 226 H -0.13 0.65 0.27 -0.55 8.24 8.48 1cf5B1 VAL 226 HA -0.03 0.07 0.59 -0.75 4.13 4.00 1cf5B1 VAL 226 HB -0.05 0.03 0.02 -0.04 2.12 2.08 1cf5B1 VAL 226 HG13 -0.46 0.07 0.12 -0.04 0.97 0.67 1cf5B1 VAL 226 HG23 -0.45 0.01 0.05 -0.04 0.95 0.52 1cf5B1 ASP 227 H -0.16 -0.07 -0.33 -0.55 8.40 7.30 1cf5B1 ASP 227 HA -0.08 0.14 0.29 -0.75 4.63 4.22 1cf5B1 ASP 227 HB2 -0.10 -0.13 0.06 -0.04 2.71 2.49 1cf5B1 ASP 227 HB3 -0.06 0.02 -0.06 -0.04 2.70 2.56 1cf5B1 SER 228 H -0.12 0.02 -0.23 -0.55 8.46 7.59 1cf5B1 SER 228 HA -0.03 0.07 0.31 -0.75 4.49 4.08 1cf5B1 SER 228 HB2 -0.05 0.06 0.01 -0.04 3.95 3.93 1cf5B1 SER 228 HB3 0.02 -0.20 0.13 -0.04 3.93 3.84 1cf5B1 ASP 229 H 0.01 0.09 0.16 -0.55 8.40 8.12 1cf5B1 ASP 229 HA 0.02 0.23 0.56 -0.75 4.63 4.68 1cf5B1 ASP 229 HB2 0.00 0.01 0.12 -0.04 2.71 2.80 1cf5B1 ASP 229 HB3 0.02 -0.00 0.03 -0.04 2.70 2.71 1cf5B1 VAL 230 H 0.06 -0.00 -0.10 -0.55 8.24 7.65 1cf5B1 VAL 230 HA 0.09 0.06 0.35 -0.75 4.13 3.87 1cf5B1 VAL 230 HB 0.13 0.11 0.06 -0.04 2.12 2.37 1cf5B1 VAL 230 HG13 0.07 -0.00 0.02 -0.04 0.97 1.02 1cf5B1 VAL 230 HG23 0.07 -0.06 0.05 -0.04 0.95 0.97 1cf5B1 VAL 231 H 0.07 0.02 -0.21 -0.55 8.24 7.57 1cf5B1 VAL 231 HA 0.11 0.04 0.10 -0.75 4.13 3.63 1cf5B1 VAL 231 HB 0.01 0.29 0.02 -0.04 2.12 2.39 1cf5B1 VAL 231 HG13 0.04 0.01 -0.03 -0.04 0.97 0.95 1cf5B1 VAL 231 HG23 0.12 -0.07 0.02 -0.04 0.95 0.98 1cf5B1 LYS 232 H 0.03 0.15 -0.30 -0.55 8.42 7.75 1cf5B1 LYS 232 HA 0.03 0.15 0.36 -0.75 4.32 4.11 1cf5B1 LYS 232 HB2 0.01 0.15 0.19 -0.04 1.87 2.18 1cf5B1 LYS 232 HB3 0.02 -0.06 0.07 -0.04 1.79 1.78 1cf5B1 LYS 232 HG2 -0.01 0.06 0.02 -0.04 1.46 1.49 1cf5B1 LYS 232 HG3 -0.00 -0.05 0.04 -0.04 1.46 1.41 1cf5B1 LYS 232 HD2 0.01 -0.07 -0.00 -0.04 1.69 1.59 1cf5B1 LYS 232 HD3 0.02 0.07 0.06 -0.04 1.68 1.79 1cf5B1 LYS 232 HE2 0.02 0.04 -0.02 -0.04 2.99 2.99 1cf5B1 LYS 232 HE3 0.02 -0.07 -0.01 -0.04 2.99 2.88 1cf5B1 GLY 233 H 0.05 0.40 0.14 -0.55 8.43 8.47 1cf5B1 GLY 233 HA2 0.04 0.10 0.19 -0.51 4.01 3.84 1cf5B1 GLY 233 HA3 0.05 -0.12 0.30 -0.51 4.01 3.73 1cf5B1 ASN 234 H 0.10 0.50 -0.12 -0.55 8.53 8.46 1cf5B1 ASN 234 HA 0.16 -0.00 0.96 -0.75 4.76 5.13 1cf5B1 ASN 234 HB2 0.12 -0.04 0.13 -0.04 2.88 3.04 1cf5B1 ASN 234 HB3 0.23 0.05 0.22 -0.04 2.79 3.26 1cf5B1 ASN 234 HD21 -0.07 -0.08 -0.03 -0.04 7.03 6.81 1cf5B1 ASN 234 HD22 -0.01 -0.03 -0.02 -0.04 7.74 7.64 1cf5B1 ILE 235 H 0.15 0.43 0.07 -0.55 8.25 8.35 1cf5B1 ILE 235 HA 0.11 0.06 0.26 -0.75 4.18 3.86 1cf5B1 ILE 235 HB 0.09 0.11 0.12 -0.04 1.89 2.16 1cf5B1 ILE 235 HG12 0.52 -0.07 -0.06 -0.04 1.49 1.84 1cf5B1 ILE 235 HG13 0.23 0.18 -0.12 -0.04 1.21 1.46 1cf5B1 ILE 235 HG23 -0.01 -0.01 -0.05 -0.04 0.93 0.83 1cf5B1 ILE 235 HD13 0.19 -0.05 -0.17 -0.04 0.88 0.81 1cf5B1 LYS 236 H -0.07 0.43 0.28 -0.55 8.42 8.50 1cf5B1 LYS 236 HA -0.05 0.18 0.41 -0.75 4.32 4.11 1cf5B1 LYS 236 HB2 -0.11 0.17 0.02 -0.04 1.87 1.91 1cf5B1 LYS 236 HB3 -0.09 -0.04 0.13 -0.04 1.79 1.75 1cf5B1 LYS 236 HG2 -0.01 -0.04 0.06 -0.04 1.46 1.42 1cf5B1 LYS 236 HG3 -0.05 -0.04 0.00 -0.04 1.46 1.33 1cf5B1 LYS 236 HD2 -0.02 0.05 -0.19 -0.04 1.69 1.49 1cf5B1 LYS 236 HD3 0.03 -0.01 -0.51 -0.04 1.68 1.15 1cf5B1 LYS 236 HE2 0.03 -0.12 0.02 -0.04 2.99 2.89 1cf5B1 LYS 236 HE3 -0.01 -0.05 -0.03 -0.04 2.99 2.86 1cf5B1 LEU 237 H -0.04 0.20 0.07 -0.55 8.37 8.06 1cf5B1 LEU 237 HA -0.08 0.31 0.56 -0.75 4.35 4.38 1cf5B1 LEU 237 HB2 0.10 -0.09 -0.07 -0.04 1.64 1.53 1cf5B1 LEU 237 HB3 0.10 -0.09 -0.08 -0.04 1.64 1.53 1cf5B1 LEU 237 HG -0.15 0.06 -0.43 -0.04 1.64 1.08 1cf5B1 LEU 237 HD13 -0.18 -0.04 -0.16 -0.04 0.93 0.51 1cf5B1 LEU 237 HD23 -0.15 0.07 0.17 -0.04 0.89 0.94 1cf5B1 LEU 238 H -0.06 0.31 0.11 -0.55 8.37 8.18 1cf5B1 LEU 238 HA -0.34 0.08 0.86 -0.75 4.35 4.20 1cf5B1 LEU 238 HB2 -0.11 0.27 -0.03 -0.04 1.64 1.73 1cf5B1 LEU 238 HB3 -0.15 -0.07 0.02 -0.04 1.64 1.39 1cf5B1 LEU 238 HG -0.12 -0.01 -0.04 -0.04 1.64 1.44 1cf5B1 LEU 238 HD13 -0.06 0.04 -0.31 -0.04 0.93 0.56 1cf5B1 LEU 238 HD23 0.01 0.02 -0.13 -0.04 0.89 0.76 1cf5B1 LEU 239 H -1.11 0.13 0.11 -0.55 8.37 6.96 1cf5B1 LEU 239 HA -0.38 0.04 0.52 -0.75 4.35 3.78 1cf5B1 LEU 239 HB2 -1.55 -0.00 0.15 -0.04 1.64 0.19 1cf5B1 LEU 239 HB3 -0.55 0.01 0.06 -0.04 1.64 1.12 1cf5B1 LEU 239 HG -0.53 -0.02 0.02 -0.04 1.64 1.07 1cf5B1 LEU 239 HD13 -0.14 -0.02 -0.08 -0.04 0.93 0.65 1cf5B1 LEU 239 HD23 -0.03 0.00 0.11 -0.04 0.89 0.93 1cf5B1 ASN 240 H -0.16 0.24 0.25 -0.55 8.53 8.31 1cf5B1 ASN 240 HA -0.20 0.14 0.40 -0.75 4.76 4.34 1cf5B1 ASN 240 HB2 -0.11 -0.17 -0.09 -0.04 2.88 2.47 1cf5B1 ASN 240 HB3 -0.09 0.20 -0.16 -0.04 2.79 2.71 1cf5B1 ASN 240 HD21 -0.08 -0.12 0.03 -0.04 7.03 6.82 1cf5B1 ASN 240 HD22 -0.07 0.69 0.21 -0.04 7.74 8.53 1cf5B1 SER 241 H -0.30 0.17 0.15 -0.55 8.46 7.93 1cf5B1 SER 241 HA -0.69 0.14 0.16 -0.75 4.49 3.34 1cf5B1 SER 241 HB2 -0.42 0.03 -0.06 -0.04 3.95 3.46 1cf5B1 SER 241 HB3 -1.80 0.06 0.08 -0.04 3.93 2.24 1cf5B1 ARG 242 H -0.16 0.04 -0.13 -0.55 8.46 7.66 1cf5B1 ARG 242 HA -0.09 0.07 0.34 -0.75 4.34 3.90 1cf5B1 ARG 242 HB2 -0.06 -0.05 0.08 -0.04 1.90 1.84 1cf5B1 ARG 242 HB3 -0.07 -0.03 0.10 -0.04 1.80 1.76 1cf5B1 ARG 242 HG2 -0.04 0.10 -0.20 -0.04 1.67 1.48 1cf5B1 ARG 242 HG3 -0.03 -0.02 -0.00 -0.04 1.67 1.58 1cf5B1 ARG 242 HD2 -0.03 0.07 0.01 -0.04 3.22 3.23 1cf5B1 ARG 242 HD3 -0.02 0.00 -0.03 -0.04 3.22 3.13 1cf5B1 ALA 243 H -0.13 0.10 -0.21 -0.55 8.40 7.62 1cf5B1 ALA 243 HA -0.06 0.20 0.19 -0.75 4.34 3.92 1cf5B1 ALA 243 HB3 -0.07 -0.01 0.04 -0.04 1.41 1.33 1cf5B1 SER 244 H -0.21 0.57 -0.11 -0.55 8.46 8.17 1cf5B1 SER 244 HA -0.15 -0.00 0.55 -0.75 4.49 4.13 1cf5B1 SER 244 HB2 -0.24 -0.05 0.01 -0.04 3.95 3.63 1cf5B1 SER 244 HB3 -0.32 0.02 -0.05 -0.04 3.93 3.54 1cf5B1 THR 245 H -0.19 0.58 -0.26 -0.55 8.28 7.86 1cf5B1 THR 245 HA -0.07 -0.00 0.36 -0.75 4.39 3.92 1cf5B1 THR 245 HB -0.16 0.07 0.15 -0.04 4.32 4.33 1cf5B1 THR 245 HG23 -0.07 0.05 0.02 -0.04 1.22 1.18 1cf5B1 ALA 246 H -0.06 0.35 -0.92 -0.55 8.40 7.23 1cf5B1 ALA 246 HA -0.02 0.02 0.25 -0.75 4.34 3.84 1cf5B1 ALA 246 HB3 -0.01 0.02 0.09 -0.04 1.41 1.46 1cf5B1 ASP 247 H -0.01 0.13 0.14 -0.55 8.40 8.11 1cf5B1 ASP 247 HA -0.01 0.11 0.31 -0.75 4.63 4.29 1cf5B1 ASP 247 HB2 0.00 -0.01 -0.23 -0.04 2.71 2.43 1cf5B1 ASP 247 HB3 0.00 -0.04 -0.02 -0.04 2.70 2.60 1cf5B1 GLU 248 H 0.00 0.15 0.13 -0.55 8.60 8.33 1cf5B1 GLU 248 HA 0.00 0.11 0.61 -0.75 4.29 4.26 1cf5B1 GLU 248 HB2 0.01 -0.01 0.18 -0.04 2.09 2.22 1cf5B1 GLU 248 HB3 0.00 0.02 0.26 -0.04 1.99 2.23 1cf5B1 GLU 248 HG2 0.01 -0.01 0.06 -0.04 2.34 2.35 1cf5B1 GLU 248 HG3 0.01 0.03 0.05 -0.04 2.34 2.38 1cf5B1 ASN 249 H -0.00 0.29 -0.76 -0.55 8.53 7.51 1cf5B1 ASN 249 HA -0.00 0.13 0.12 -0.75 4.76 4.26 1cf5B1 ASN 249 HB2 0.00 0.19 0.41 -0.04 2.88 3.44 1cf5B1 ASN 249 HB3 0.00 -0.01 0.10 -0.04 2.79 2.84 1cf5B1 ASN 249 HD21 0.00 -0.04 -0.13 -0.04 7.03 6.83 1cf5B1 ASN 249 HD22 0.00 0.26 -0.25 -0.04 7.74 7.71