#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x7b s PHE 12 N 0.00 1.12 0.12 -0.67 -0.12 -1.26 -4.81 117.98 112.35 2x7b s PHE 12 Ca 0.00 -1.25 0.03 0.00 -0.05 0.00 0.00 56.93 55.66 2x7b s PHE 12 Cb 0.00 -0.60 -0.04 0.00 -0.63 0.00 0.00 43.02 41.75 2x7b s PHE 12 CO 0.00 -0.49 -0.08 -0.08 -0.05 0.00 0.00 175.22 174.52 2x7b s THR 13 N -3.99 0.90 -0.06 -4.49 -1.32 -0.27 -4.96 115.64 101.46 2x7b s THR 13 Ca 0.31 -1.99 0.04 0.00 -1.21 0.00 0.00 61.69 58.84 2x7b s THR 13 Cb 0.07 -1.75 -0.02 0.00 -1.51 0.00 0.00 72.50 69.29 2x7b s THR 13 CO 0.07 -0.82 -0.15 -0.76 -2.21 0.00 0.00 174.62 170.76 2x7b s LEU 14 N -3.09 2.68 0.18 9.08 1.02 -1.26 0.20 118.68 127.49 2x7b s LEU 14 Ca 0.14 -0.23 -0.04 0.00 0.02 0.00 0.00 54.13 54.02 2x7b s LEU 14 Cb 0.04 -1.54 -0.03 0.00 0.02 0.00 0.00 46.19 44.68 2x7b s LEU 14 CO -0.02 0.32 0.18 0.00 0.02 0.00 0.00 176.35 176.85 2x7b s ARG 15 N -0.61 1.17 0.37 1.70 1.70 -0.92 -5.01 118.95 117.36 2x7b s ARG 15 Ca 0.09 -1.46 -0.27 0.00 -0.47 0.00 0.00 55.73 53.62 2x7b s ARG 15 Cb -0.11 0.31 -0.10 0.00 -0.57 0.00 0.00 34.95 34.48 2x7b s ARG 15 CO 0.01 -0.39 1.31 -0.80 -1.08 0.00 0.00 175.30 174.35 2x7b s ASN 16 N -3.08 6.52 0.59 -2.89 -0.87 -1.26 -0.84 114.94 113.11 2x7b s ASN 16 Ca 0.29 2.69 -0.19 0.00 -1.57 0.00 0.00 52.86 54.08 2x7b s ASN 16 Cb 0.06 -2.64 -0.04 0.00 -0.02 0.00 0.00 41.25 38.60 2x7b s ASN 16 CO 0.07 -0.71 1.21 0.00 -2.57 0.00 0.00 177.10 175.11 2x7b s ALA 17 N -1.20 2.56 0.26 0.60 0.00 -0.46 -4.69 121.76 118.81 2x7b s ALA 17 Ca 0.53 1.02 0.09 0.00 0.00 0.00 0.00 51.96 53.60 2x7b s ALA 17 Cb -0.39 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.22 2x7b s ALA 17 CO 0.51 -1.17 -0.13 1.03 0.00 0.00 0.00 175.76 176.00 2x7b s ARG 18 N -3.31 1.52 0.31 0.00 0.52 -1.26 -5.00 118.95 111.73 2x7b s ARG 18 Ca 0.77 -1.72 0.08 0.00 -0.52 0.00 0.00 55.73 54.34 2x7b s ARG 18 Cb -0.31 -1.35 0.86 0.00 0.52 0.00 0.00 34.95 34.67 2x7b s ARG 18 CO 0.33 0.18 1.70 1.98 0.02 0.00 0.00 175.30 179.52 2x7b h MET 19 N 2.36 0.44 0.00 3.54 1.85 -1.99 0.91 114.93 122.04 2x7b h MET 19 Ca -0.39 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.67 2x7b h MET 19 Cb 1.24 -0.10 0.00 0.00 0.43 0.00 0.00 31.60 33.17 2x7b h MET 19 CO 0.64 0.29 0.00 -0.40 -0.40 0.00 0.00 176.91 177.04 2x7b n ASP 20 N -4.99 0.00 0.15 1.39 5.68 -1.26 -2.21 116.55 115.31 2x7b n ASP 20 Ca 0.26 -0.31 0.12 0.00 -0.50 0.00 0.00 54.79 54.36 2x7b n ASP 20 Cb 0.76 -0.20 0.28 0.00 -1.14 0.00 0.00 41.12 40.82 2x7b n ASP 20 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2x7b h ASP 21 N 0.00 0.00 -0.82 -1.12 3.32 -1.22 -3.39 116.42 113.19 2x7b h ASP 21 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2x7b h ASP 21 Cb 0.17 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2x7b h ASP 21 CO 0.00 0.01 0.52 0.40 -1.72 0.00 0.00 179.24 178.44 2x7b h ILE 22 N 0.00 1.22 -0.71 0.35 1.08 -1.53 0.10 117.51 118.03 2x7b h ILE 22 Ca 0.00 -0.46 0.10 0.00 -0.39 0.00 0.00 64.86 64.11 2x7b h ILE 22 Cb 0.86 0.04 -0.08 0.00 -3.07 0.00 0.00 36.82 34.57 2x7b h ILE 22 CO 0.00 0.23 0.34 0.44 -0.69 0.00 0.00 178.15 178.46 2x7b h ASP 23 N 1.13 0.41 0.27 1.72 3.32 -1.81 0.71 116.42 122.17 2x7b h ASP 23 Ca 0.30 0.07 -0.25 0.00 0.02 0.00 0.00 57.03 57.18 2x7b h ASP 23 Cb -0.08 0.01 0.01 0.00 0.22 0.00 0.00 39.33 39.49 2x7b h ASP 23 CO -0.06 0.22 -1.02 -0.61 -1.72 0.00 0.00 179.24 176.05 2x7b h GLN 24 N 0.56 0.48 -0.30 3.56 5.75 -1.42 -2.32 115.11 121.42 2x7b h GLN 24 Ca 0.36 -0.55 0.03 0.00 -0.15 0.00 0.00 58.65 58.34 2x7b h GLN 24 Cb 0.43 0.16 -0.03 0.00 1.07 0.00 0.00 27.48 29.11 2x7b h GLN 24 CO -0.30 1.19 0.11 0.82 -2.65 0.00 0.00 178.83 178.00 2x7b h ILE 25 N 0.26 0.93 -0.83 2.39 2.04 -0.48 -1.41 117.51 120.42 2x7b h ILE 25 Ca -0.11 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 2x7b h ILE 25 Cb 1.67 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 38.37 2x7b h ILE 25 CO 0.18 0.04 0.51 0.40 0.00 0.00 0.00 178.15 179.28 2x7b h ILE 26 N 0.25 1.23 -0.54 -0.67 5.03 -0.86 -0.18 117.51 121.76 2x7b h ILE 26 Ca 0.13 -0.49 0.03 0.00 -0.12 0.00 0.00 64.86 64.41 2x7b h ILE 26 Cb 0.09 0.06 -0.04 0.00 -3.03 0.00 0.00 36.82 33.91 2x7b h ILE 26 CO -0.13 0.24 0.33 0.50 -0.68 0.00 0.00 178.15 178.40 2x7b h LYS 27 N 1.13 0.63 -0.14 2.37 3.64 -1.00 -0.23 116.57 122.96 2x7b h LYS 27 Ca 0.30 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2x7b h LYS 27 Cb -0.06 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 2x7b h LYS 27 CO -0.06 0.41 0.05 0.82 -2.27 0.00 0.00 179.45 178.41 2x7b h ILE 28 N 0.64 1.16 -0.53 2.00 2.04 -0.93 -2.08 117.51 119.82 2x7b h ILE 28 Ca 0.22 -0.49 0.10 0.00 1.00 0.00 0.00 64.86 65.69 2x7b h ILE 28 Cb 0.02 1.23 -0.08 0.00 -0.74 0.00 0.00 36.82 37.25 2x7b h ILE 28 CO -0.10 0.15 0.04 -1.13 0.00 0.00 0.00 178.15 177.11 2x7b h ASN 29 N 0.06 -0.15 0.97 1.72 -0.73 -0.76 -1.51 115.58 115.18 2x7b h ASN 29 Ca 0.05 0.12 -0.07 0.00 1.87 0.00 0.00 56.30 58.26 2x7b h ASN 29 Cb 0.19 0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.96 2x7b h ASN 29 CO -0.00 -0.05 -0.35 0.03 -0.37 0.00 0.00 177.43 176.69 2x7b h ARG 30 N 0.16 0.00 0.00 6.67 3.08 -0.91 -1.31 114.38 122.07 2x7b h ARG 30 Ca 0.27 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.24 2x7b h ARG 30 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2x7b h ARG 30 CO -0.42 0.35 -0.42 1.25 -1.07 0.00 0.00 179.97 179.66 2x7b h LEU 31 N 0.00 0.00 0.00 3.04 5.85 -0.86 -3.39 115.31 119.94 2x7b h LEU 31 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2x7b h LEU 31 Cb 0.93 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.95 2x7b h LEU 31 CO 0.05 0.41 -1.31 0.35 -0.34 0.00 0.00 178.44 177.60 2x7b n THR 32 N -3.20 0.02 -3.91 1.05 -2.24 -0.61 -5.05 114.28 100.34 2x7b n THR 32 Ca 0.02 -0.16 -0.11 0.00 -2.27 0.00 0.00 64.05 61.54 2x7b n THR 32 Cb 0.70 0.28 -0.12 0.00 -2.10 0.00 0.00 70.33 69.09 2x7b n THR 32 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2x7b s LEU 33 N -3.51 1.94 0.26 3.22 1.43 -0.51 -5.06 118.68 116.45 2x7b s LEU 33 Ca -0.02 -0.20 0.24 0.00 -1.03 0.00 0.00 54.13 53.11 2x7b s LEU 33 Cb 0.04 0.24 0.33 0.00 0.03 0.00 0.00 46.19 46.83 2x7b s LEU 33 CO 0.27 -0.20 1.42 1.55 0.23 0.00 0.00 176.35 179.62 2x7b h PRO 34 N 5.15 0.00 -6.02 1.29 0.13 -1.91 -3.41 132.00 127.24 2x7b h PRO 34 Ca -0.29 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.25 2x7b h PRO 34 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 2x7b h PRO 34 CO 0.44 0.00 1.23 -1.21 -0.23 0.00 0.00 178.00 178.23 2x7b s GLU 35 N -3.22 3.44 -1.02 0.86 8.01 -1.26 -4.92 118.70 120.58 2x7b s GLU 35 Ca 0.05 -0.91 -0.08 0.00 0.01 0.00 0.00 54.97 54.04 2x7b s GLU 35 Cb 0.09 -4.89 0.26 0.00 -4.31 0.00 0.00 34.13 25.29 2x7b s GLU 35 CO 0.70 -2.12 0.99 -0.80 0.01 0.00 0.00 175.26 174.05 2x7b s ASN 36 N 4.38 6.96 0.48 -0.19 0.01 -1.26 -4.96 114.94 120.37 2x7b s ASN 36 Ca 0.40 -3.48 -0.23 0.00 -0.71 0.00 0.00 52.86 48.84 2x7b s ASN 36 Cb -0.04 -2.15 -0.08 0.00 0.41 0.00 0.00 41.25 39.39 2x7b s ASN 36 CO -0.01 -0.31 1.26 -1.22 -1.51 0.00 0.00 177.10 175.31 2x7b n TYR 37 N 2.83 2.01 -1.42 2.20 4.01 -1.26 -4.99 117.16 120.54 2x7b n TYR 37 Ca 0.22 0.47 -0.33 0.00 -0.16 0.00 0.00 57.90 58.10 2x7b n TYR 37 Cb 0.40 -2.34 0.09 0.00 -0.31 0.00 0.00 39.34 37.17 2x7b n TYR 37 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2x7b s PRO 38 N -2.48 2.23 0.29 -0.72 0.04 -1.26 -4.91 135.00 128.18 2x7b s PRO 38 Ca 0.66 1.54 0.03 0.00 0.04 0.00 0.00 61.00 63.27 2x7b s PRO 38 Cb -0.47 -1.87 0.64 0.00 0.04 0.00 0.00 34.50 32.85 2x7b s PRO 38 CO 0.54 -1.72 1.78 1.88 0.04 0.00 0.00 177.00 179.52 2x7b h TYR 39 N -0.49 1.00 0.00 0.56 0.05 -2.00 -1.68 116.97 114.40 2x7b h TYR 39 Ca -0.46 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.33 2x7b h TYR 39 Cb 1.27 -0.30 -0.00 0.00 1.01 0.00 0.00 36.73 38.71 2x7b h TYR 39 CO 0.51 0.26 -0.10 0.10 -1.05 0.00 0.00 178.16 177.88 2x7b h TYR 40 N 0.77 0.00 -0.17 4.88 -0.00 -1.99 -1.86 116.97 118.59 2x7b h TYR 40 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 59.23 2x7b h TYR 40 Cb 0.75 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.47 2x7b h TYR 40 CO -0.03 0.10 -0.01 0.35 -0.00 0.00 0.00 178.16 178.57 2x7b h PHE 41 N 0.00 0.34 -0.71 0.10 3.57 -1.66 -0.70 116.94 117.88 2x7b h PHE 41 Ca -0.00 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.47 2x7b h PHE 41 Cb 0.24 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.85 2x7b h PHE 41 CO 0.00 0.53 0.44 0.74 -2.23 0.00 0.00 178.31 177.79 2x7b h PHE 42 N 0.05 0.82 -0.54 0.41 0.04 -1.37 -2.95 116.94 113.39 2x7b h PHE 42 Ca 0.05 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 2x7b h PHE 42 Cb 0.40 -0.27 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 2x7b h PHE 42 CO 0.04 0.47 0.28 0.28 -0.60 0.00 0.00 178.31 178.77 2x7b h VAL 43 N 0.86 1.19 -0.60 -0.55 2.07 -1.13 -2.04 116.25 116.05 2x7b h VAL 43 Ca 0.29 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.36 2x7b h VAL 43 Cb 0.03 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 2x7b h VAL 43 CO -0.11 0.21 0.29 -0.08 0.02 0.00 0.00 177.57 177.90 2x7b h GLU 44 N 0.73 0.52 -0.34 1.57 4.57 -0.99 -0.25 114.58 120.39 2x7b h GLU 44 Ca 0.19 -0.03 -0.10 0.00 -1.18 0.00 0.00 59.36 58.24 2x7b h GLU 44 Cb 0.08 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 2x7b h GLU 44 CO -0.03 0.35 -0.20 0.45 -1.18 0.00 0.00 179.01 178.40 2x7b h HIS 45 N 0.54 0.72 -0.60 0.92 3.86 -1.34 -1.60 115.15 117.65 2x7b h HIS 45 Ca 0.28 -0.15 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 2x7b h HIS 45 Cb 0.23 -0.18 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 2x7b h HIS 45 CO -0.11 0.80 0.07 1.25 0.86 0.00 0.00 177.93 180.80 2x7b h LEU 46 N 0.57 0.97 -0.25 2.43 5.85 -0.98 -0.42 115.31 123.48 2x7b h LEU 46 Ca 0.09 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 2x7b h LEU 46 Cb 0.67 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2x7b h LEU 46 CO 0.05 1.00 0.02 0.50 -0.34 0.00 0.00 178.44 179.67 2x7b h LYS 47 N 0.91 0.43 0.04 1.25 3.64 -0.77 -2.73 116.57 119.33 2x7b h LYS 47 Ca 0.18 -0.13 -0.33 0.00 -1.27 0.00 0.00 60.65 59.10 2x7b h LYS 47 Cb 0.46 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 2x7b h LYS 47 CO 0.02 0.58 -1.92 0.39 -2.27 0.00 0.00 179.45 176.25 2x7b n GLU 48 N -4.66 0.68 -1.14 1.90 -0.58 -0.63 -4.47 120.64 111.75 2x7b n GLU 48 Ca -0.03 0.25 0.02 0.00 -0.42 0.00 0.00 57.16 56.98 2x7b n GLU 48 Cb 0.22 -1.72 0.12 0.00 -0.57 0.00 0.00 31.44 29.49 2x7b n GLU 48 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2x7b n TYR 49 N -3.18 0.31 0.08 -0.32 4.01 -0.17 -4.90 117.16 112.99 2x7b n TYR 49 Ca -0.25 -1.27 0.10 0.00 -0.16 0.00 0.00 57.90 56.32 2x7b n TYR 49 Cb 1.06 -0.22 0.57 0.00 -0.31 0.00 0.00 39.34 40.44 2x7b n TYR 49 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2x7b h GLY 50 N 1.19 0.25 2.00 2.72 0.00 -1.46 -2.00 103.07 105.77 2x7b h GLY 50 Ca -0.05 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.19 2x7b h GLY 50 CO 0.11 0.07 -0.03 1.41 0.00 0.00 0.00 176.54 178.09 2x7b h LEU 51 N 0.21 0.00 -2.33 3.11 3.38 -1.90 -1.92 115.31 115.85 2x7b h LEU 51 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2x7b h LEU 51 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2x7b h LEU 51 CO -0.03 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.54 2x7b n ALA 52 N -2.16 2.29 -2.63 1.53 0.00 -0.76 -4.85 120.51 113.93 2x7b n ALA 52 Ca -0.02 -0.93 -0.44 0.00 0.00 0.00 0.00 53.44 52.06 2x7b n ALA 52 Cb 0.16 -0.40 -0.08 0.00 0.00 0.00 0.00 19.45 19.14 2x7b n ALA 52 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2x7b s PHE 53 N -0.96 3.18 0.13 0.00 2.19 -0.72 -4.49 117.98 117.31 2x7b s PHE 53 Ca 0.19 -0.59 0.09 0.00 0.33 0.00 0.00 56.93 56.95 2x7b s PHE 53 Cb 0.11 -3.03 -0.04 0.00 -1.31 0.00 0.00 43.02 38.74 2x7b s PHE 53 CO 0.14 -0.77 -0.16 -0.06 1.83 0.00 0.00 175.22 176.20 2x7b s PHE 54 N 2.02 2.55 0.14 10.12 0.08 -1.11 -1.36 117.98 130.42 2x7b s PHE 54 Ca 0.09 -0.25 0.10 0.00 0.12 0.00 0.00 56.93 56.99 2x7b s PHE 54 Cb -0.20 -1.33 -0.04 0.00 -0.57 0.00 0.00 43.02 40.88 2x7b s PHE 54 CO 0.11 0.42 -0.22 0.14 -0.10 0.00 0.00 175.22 175.57 2x7b s VAL 55 N -1.28 2.57 -0.15 -0.44 -7.23 -0.02 -1.30 120.40 112.56 2x7b s VAL 55 Ca 0.20 -1.68 -0.10 0.00 -1.81 0.00 0.00 61.98 58.58 2x7b s VAL 55 Cb -0.10 -2.18 -0.05 0.00 0.56 0.00 0.00 36.38 34.61 2x7b s VAL 55 CO 0.11 0.05 0.19 0.00 -0.31 0.00 0.00 175.10 175.15 2x7b s ALA 56 N -1.22 3.72 -0.14 1.32 0.00 -0.28 -2.15 121.76 123.01 2x7b s ALA 56 Ca 0.17 -0.59 0.01 0.00 0.00 0.00 0.00 51.96 51.56 2x7b s ALA 56 Cb -0.10 -2.18 -0.00 0.00 0.00 0.00 0.00 23.12 20.84 2x7b s ALA 56 CO 0.09 0.30 -0.18 0.42 0.00 0.00 0.00 175.76 176.38 2x7b s ILE 57 N -0.10 2.46 -0.15 0.00 -1.09 0.13 -0.92 121.20 121.52 2x7b s ILE 57 Ca 0.13 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 2x7b s ILE 57 Cb -0.12 -2.01 0.03 0.00 -1.58 0.00 0.00 42.46 38.78 2x7b s ILE 57 CO 0.02 0.53 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.47 2x7b s VAL 58 N 0.66 1.38 -1.21 2.92 1.01 -0.50 -1.12 120.40 123.53 2x7b s VAL 58 Ca -0.09 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 2x7b s VAL 58 Cb -0.16 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 2x7b s VAL 58 CO 0.02 0.33 0.88 0.47 0.00 0.00 0.00 175.10 176.81 2x7b n ASP 59 N 4.82 -2.61 -0.77 3.32 10.43 -1.26 -2.02 116.55 128.45 2x7b n ASP 59 Ca -0.15 -0.72 -0.09 0.00 2.57 0.00 0.00 54.79 56.41 2x7b n ASP 59 Cb 0.49 -4.72 -0.04 0.00 1.84 0.00 0.00 41.12 38.70 2x7b n ASP 59 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2x7b n ASN 60 N -3.10 -4.57 -4.32 -2.24 4.13 -1.26 -4.98 115.26 98.92 2x7b n ASN 60 Ca -0.25 0.21 -0.23 0.00 1.68 0.00 0.00 54.58 55.99 2x7b n ASN 60 Cb 0.66 -3.45 -0.12 0.00 -1.54 0.00 0.00 39.78 35.34 2x7b n ASN 60 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2x7b s SER 61 N -2.01 2.65 -0.04 6.41 1.04 -0.86 -5.12 113.70 115.77 2x7b s SER 61 Ca 0.00 -0.79 -0.30 0.00 0.48 0.00 0.00 55.95 55.34 2x7b s SER 61 Cb 0.00 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.94 2x7b s SER 61 CO 0.00 0.01 1.07 -0.69 0.98 0.00 0.00 173.24 174.61 2x7b s VAL 62 N -1.66 4.57 -0.12 5.02 1.01 -1.26 -1.41 120.40 126.54 2x7b s VAL 62 Ca 0.12 1.85 0.01 0.00 0.00 0.00 0.00 61.98 63.96 2x7b s VAL 62 Cb -0.08 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.12 2x7b s VAL 62 CO 0.06 0.07 0.32 1.33 0.00 0.00 0.00 175.10 176.88 2x7b n VAL 63 N 4.27 0.00 -3.51 2.92 0.24 -0.10 -4.95 118.33 117.21 2x7b n VAL 63 Ca 0.08 -0.49 -0.09 0.00 -2.04 0.00 0.00 64.34 61.81 2x7b n VAL 63 Cb 0.48 1.02 -0.02 0.00 -1.47 0.00 0.00 33.84 33.85 2x7b n VAL 63 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2x7b s GLY 64 N -0.57 -0.49 0.15 7.63 0.00 -1.22 -0.68 107.32 112.15 2x7b s GLY 64 Ca 0.01 0.75 -0.20 0.00 0.00 0.00 0.00 44.72 45.28 2x7b s GLY 64 CO 0.03 0.24 0.52 -2.52 0.00 0.00 0.00 173.10 171.37 2x7b s TYR 65 N -3.35 -0.39 -0.07 1.90 -0.85 -0.72 -1.13 117.35 112.74 2x7b s TYR 65 Ca 0.04 0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.72 2x7b s TYR 65 Cb -0.01 0.43 0.02 0.00 0.38 0.00 0.00 41.96 42.78 2x7b s TYR 65 CO -0.09 -0.79 -0.05 -1.50 -1.52 0.00 0.00 175.55 171.59 2x7b s ILE 66 N -3.78 0.72 -0.27 -3.49 2.07 -0.42 -2.20 121.20 113.83 2x7b s ILE 66 Ca 0.02 -0.16 -0.09 0.00 -1.41 0.00 0.00 60.65 59.01 2x7b s ILE 66 Cb 0.00 -0.75 -0.03 0.00 0.13 0.00 0.00 42.46 41.81 2x7b s ILE 66 CO -0.12 0.29 0.12 -0.32 -1.91 0.00 0.00 174.94 173.00 2x7b s MET 67 N 1.35 3.64 0.27 3.50 -2.45 0.14 -2.75 119.30 123.00 2x7b s MET 67 Ca -0.03 -0.51 0.07 0.00 -1.25 0.00 0.00 55.69 53.97 2x7b s MET 67 Cb -0.14 -3.46 -0.03 0.00 1.25 0.00 0.00 34.83 32.45 2x7b s MET 67 CO -0.03 -0.25 0.20 -1.25 1.05 0.00 0.00 175.02 174.75 2x7b s PRO 68 N 1.65 2.84 0.03 4.11 0.04 -1.26 -0.55 135.00 141.85 2x7b s PRO 68 Ca 0.06 -1.13 0.01 0.00 0.04 0.00 0.00 61.00 59.98 2x7b s PRO 68 Cb -0.16 -2.52 -0.02 0.00 0.04 0.00 0.00 34.50 31.85 2x7b s PRO 68 CO 0.06 0.34 -0.05 0.50 0.04 0.00 0.00 177.00 177.88 2x7b s ARG 69 N -3.86 0.40 -0.15 4.56 3.52 0.89 -4.82 118.95 119.49 2x7b s ARG 69 Ca 0.34 -0.60 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 2x7b s ARG 69 Cb -0.07 -0.13 -0.00 0.00 -1.56 0.00 0.00 34.95 33.18 2x7b s ARG 69 CO 0.25 0.02 -0.15 0.42 -0.81 0.00 0.00 175.30 175.02 2x7b s ILE 70 N -1.20 2.70 0.18 4.11 -1.09 -1.26 0.18 121.20 124.82 2x7b s ILE 70 Ca -0.10 -0.76 0.05 0.00 -2.23 0.00 0.00 60.65 57.60 2x7b s ILE 70 Cb -0.09 -2.14 -0.05 0.00 -1.58 0.00 0.00 42.46 38.61 2x7b s ILE 70 CO -0.00 0.52 -0.09 -1.61 -1.23 0.00 0.00 174.94 172.52 2x7b s GLU 71 N 0.72 1.19 -0.07 2.79 2.02 0.67 -4.99 118.70 121.03 2x7b s GLU 71 Ca -0.07 -1.54 0.02 0.00 0.02 0.00 0.00 54.97 53.41 2x7b s GLU 71 Cb -0.16 -0.76 0.01 0.00 0.10 0.00 0.00 34.13 33.33 2x7b s GLU 71 CO 0.01 0.07 -0.13 -0.46 0.02 0.00 0.00 175.26 174.78 2x7b s TRP 72 N -3.25 1.53 -2.61 1.61 -0.00 -1.26 -0.36 118.94 114.60 2x7b s TRP 72 Ca 0.21 -0.59 0.00 0.00 -0.00 0.00 0.00 56.10 55.72 2x7b s TRP 72 Cb 0.02 -1.12 0.00 0.00 -0.00 0.00 0.00 33.47 32.37 2x7b s TRP 72 CO 0.04 -0.31 0.00 0.41 -0.00 0.00 0.00 176.95 177.09 2x7b n GLY 73 N 3.89 -0.53 3.77 5.86 0.00 -0.70 -4.98 105.19 112.49 2x7b n GLY 73 Ca -0.22 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 2x7b n GLY 73 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2x7b s PHE 74 N -3.00 3.00 0.43 1.61 0.08 -1.26 -0.20 117.98 118.63 2x7b s PHE 74 Ca 0.00 1.50 -0.25 0.00 0.12 0.00 0.00 56.93 58.30 2x7b s PHE 74 Cb 0.00 -3.52 -0.08 0.00 -0.57 0.00 0.00 43.02 38.85 2x7b s PHE 74 CO 0.00 -1.61 1.23 0.45 -0.10 0.00 0.00 175.22 175.18 2x7b s SER 75 N -0.90 6.28 0.00 1.36 0.15 0.97 -4.81 113.70 116.74 2x7b s SER 75 Ca 0.55 2.47 0.26 0.00 0.70 0.00 0.00 55.95 59.93 2x7b s SER 75 Cb -0.34 -2.62 0.68 0.00 -1.71 0.00 0.00 66.02 62.02 2x7b s SER 75 CO 0.44 -0.85 1.52 0.59 1.20 0.00 0.00 173.24 176.14 2x7b n ASN 76 N -0.11 1.69 -0.04 5.45 4.13 -1.26 -4.57 115.26 120.54 2x7b n ASN 76 Ca 0.05 -1.41 -0.08 0.00 1.68 0.00 0.00 54.58 54.83 2x7b n ASN 76 Cb 0.46 0.10 -0.03 0.00 -1.54 0.00 0.00 39.78 38.77 2x7b n ASN 76 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 2x7b n ILE 77 N 0.11 0.45 -1.86 2.41 5.41 -1.26 -4.98 119.36 119.64 2x7b n ILE 77 Ca 0.15 -0.13 -0.39 0.00 1.00 0.00 0.00 62.75 63.37 2x7b n ILE 77 Cb 0.41 -1.35 0.02 0.00 -0.71 0.00 0.00 39.64 38.01 2x7b n ILE 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2x7b s LYS 78 N -2.15 3.64 -0.02 0.38 -0.14 -1.26 -4.97 119.74 115.21 2x7b s LYS 78 Ca -0.11 2.31 -0.20 0.00 -1.36 0.00 0.00 55.97 56.61 2x7b s LYS 78 Cb 0.04 -2.59 -0.12 0.00 -1.68 0.00 0.00 37.83 33.48 2x7b s LYS 78 CO 0.16 -0.82 0.88 1.96 -0.76 0.00 0.00 175.35 176.76 2x7b h GLN 79 N 2.22 -0.57 -6.82 1.68 7.50 -1.95 -3.44 115.11 113.72 2x7b h GLN 79 Ca -0.51 0.04 -0.49 0.00 0.50 0.00 0.00 58.65 58.20 2x7b h GLN 79 Cb 1.27 0.13 -0.01 0.00 0.05 0.00 0.00 27.48 28.92 2x7b h GLN 79 CO 0.61 -0.31 0.38 -0.51 -1.50 0.00 0.00 178.83 177.50 2x7b s LEU 80 N -9.28 4.50 0.15 1.46 1.43 -1.26 -4.96 118.68 110.72 2x7b s LEU 80 Ca -0.11 2.00 -0.34 0.00 -1.03 0.00 0.00 54.13 54.65 2x7b s LEU 80 Cb 0.01 -3.77 -0.15 0.00 0.03 0.00 0.00 46.19 42.31 2x7b s LEU 80 CO 0.36 -0.03 1.49 -2.65 0.23 0.00 0.00 176.35 175.75 2x7b n PRO 81 N 1.03 1.87 -3.67 1.29 -0.02 -1.26 -4.96 135.00 129.28 2x7b n PRO 81 Ca -0.00 0.67 -0.09 0.00 -2.02 0.00 0.00 63.50 62.06 2x7b n PRO 81 Cb 0.48 -2.39 -0.10 0.00 -0.02 0.00 0.00 33.50 31.46 2x7b n PRO 81 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2x7b s SER 82 N 0.72 -0.33 -0.06 2.55 0.15 -1.26 -5.03 113.70 110.43 2x7b s SER 82 Ca 0.79 0.97 -0.22 0.00 0.70 0.00 0.00 55.95 58.19 2x7b s SER 82 Cb -0.75 1.19 -0.04 0.00 -1.71 0.00 0.00 66.02 64.71 2x7b s SER 82 CO 0.42 -0.22 0.64 -0.76 1.20 0.00 0.00 173.24 174.51 2x7b s LEU 83 N 2.27 4.33 0.08 3.45 1.43 -1.26 -0.02 118.68 128.95 2x7b s LEU 83 Ca -0.04 1.11 -0.06 0.00 -1.03 0.00 0.00 54.13 54.10 2x7b s LEU 83 Cb -0.11 -2.98 -0.01 0.00 0.03 0.00 0.00 46.19 43.12 2x7b s LEU 83 CO -0.13 -0.05 0.13 0.68 0.23 0.00 0.00 176.35 177.21 2x7b s VAL 84 N 0.58 0.16 -0.16 -1.59 -7.23 0.71 -4.92 120.40 107.96 2x7b s VAL 84 Ca 0.34 -1.37 -0.23 0.00 -1.81 0.00 0.00 61.98 58.91 2x7b s VAL 84 Cb -0.17 -1.41 -0.02 0.00 0.56 0.00 0.00 36.38 35.33 2x7b s VAL 84 CO 0.16 -0.74 0.70 -0.60 -0.31 0.00 0.00 175.10 174.31 2x7b s ARG 85 N -3.88 4.29 -0.00 4.82 3.52 -1.26 -1.73 118.95 124.70 2x7b s ARG 85 Ca 0.06 0.78 0.04 0.00 -0.13 0.00 0.00 55.73 56.48 2x7b s ARG 85 Cb 0.06 -3.55 -0.01 0.00 -1.56 0.00 0.00 34.95 29.89 2x7b s ARG 85 CO -0.10 -0.19 -0.12 -1.59 -0.81 0.00 0.00 175.30 172.49 2x7b s LYS 86 N 1.71 0.94 0.16 5.12 -2.85 0.51 -0.32 119.74 125.00 2x7b s LYS 86 Ca 0.33 -0.46 -0.14 0.00 -1.00 0.00 0.00 55.97 54.70 2x7b s LYS 86 Cb -0.16 -0.91 -0.07 0.00 -2.06 0.00 0.00 37.83 34.63 2x7b s LYS 86 CO 0.12 0.25 0.56 0.20 0.10 0.00 0.00 175.35 176.58 2x7b s GLY 87 N -0.38 2.45 -0.12 0.59 0.00 0.13 -0.24 107.32 109.76 2x7b s GLY 87 Ca 0.04 -0.13 -0.01 0.00 0.00 0.00 0.00 44.72 44.62 2x7b s GLY 87 CO -0.00 0.15 -0.02 -1.58 0.00 0.00 0.00 173.10 171.64 2x7b s HIS 88 N -1.49 1.11 -0.42 1.90 2.46 0.13 -0.98 115.29 117.99 2x7b s HIS 88 Ca 0.39 -0.58 -0.29 0.00 0.47 0.00 0.00 55.06 55.05 2x7b s HIS 88 Cb -0.15 -1.03 0.02 0.00 -0.13 0.00 0.00 32.58 31.28 2x7b s HIS 88 CO 0.19 -0.47 1.28 0.08 -2.47 0.00 0.00 174.74 173.35 2x7b s VAL 89 N 1.83 4.08 -0.04 0.89 1.01 -0.56 -0.08 120.40 127.53 2x7b s VAL 89 Ca 0.03 1.12 -0.11 0.00 0.00 0.00 0.00 61.98 63.02 2x7b s VAL 89 Cb -0.14 -4.36 -0.31 0.00 0.00 0.00 0.00 36.38 31.57 2x7b s VAL 89 CO -0.07 -0.81 0.69 0.58 0.00 0.00 0.00 175.10 175.50 2x7b h VAL 90 N 6.28 0.96 -1.96 2.92 2.07 -1.14 -3.42 116.25 121.95 2x7b h VAL 90 Ca -0.25 -2.53 -0.01 0.00 0.82 0.00 0.00 66.70 64.73 2x7b h VAL 90 Cb 1.08 2.78 -0.21 0.00 -1.52 0.00 0.00 31.29 33.42 2x7b h VAL 90 CO 1.09 0.86 0.12 -0.55 0.02 0.00 0.00 177.57 179.11 2x7b s SER 91 N -7.31 -0.79 -0.09 0.57 0.15 -1.08 -5.00 113.70 100.14 2x7b s SER 91 Ca -0.15 1.42 -0.05 0.00 0.70 0.00 0.00 55.95 57.87 2x7b s SER 91 Cb 0.05 1.40 0.04 0.00 -1.71 0.00 0.00 66.02 65.80 2x7b s SER 91 CO 0.86 -0.24 0.21 -0.51 1.20 0.00 0.00 173.24 174.76 2x7b s ILE 92 N 0.82 -0.03 -0.06 6.45 2.07 -1.26 0.27 121.20 129.46 2x7b s ILE 92 Ca -0.03 0.11 -0.20 0.00 -1.41 0.00 0.00 60.65 59.11 2x7b s ILE 92 Cb -0.05 -0.32 0.04 0.00 0.13 0.00 0.00 42.46 42.26 2x7b s ILE 92 CO -0.07 0.04 0.46 0.00 -1.91 0.00 0.00 174.94 173.47 2x7b s ALA 93 N 0.88 -1.18 -0.03 1.50 0.00 -0.93 -5.02 121.76 116.99 2x7b s ALA 93 Ca -0.06 0.84 0.03 0.00 0.00 0.00 0.00 51.96 52.76 2x7b s ALA 93 Cb -0.08 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 22.93 2x7b s ALA 93 CO -0.05 -0.29 -0.10 0.08 0.00 0.00 0.00 175.76 175.40 2x7b s VAL 94 N -0.98 0.87 0.38 0.00 1.01 -1.26 -1.76 120.40 118.65 2x7b s VAL 94 Ca -0.10 -0.40 -0.28 0.00 0.00 0.00 0.00 61.98 61.20 2x7b s VAL 94 Cb -0.03 -0.77 -0.11 0.00 0.00 0.00 0.00 36.38 35.47 2x7b s VAL 94 CO 0.05 0.27 1.46 0.18 0.00 0.00 0.00 175.10 177.06 2x7b n LEU 95 N 3.29 4.67 -0.32 3.92 4.77 0.15 -4.85 117.00 128.63 2x7b n LEU 95 Ca -0.18 1.22 0.03 0.00 -0.03 0.00 0.00 56.01 57.04 2x7b n LEU 95 Cb 0.54 -1.61 0.10 0.00 -2.33 0.00 0.00 43.42 40.12 2x7b n LEU 95 CO 0.25 0.06 0.66 -0.08 -1.33 0.00 0.00 177.39 176.95 2x7b h GLU 96 N 2.85 -0.01 0.00 3.23 4.22 -1.99 -0.55 114.58 122.32 2x7b h GLU 96 Ca -0.50 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 58.94 2x7b h GLU 96 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 2x7b h GLU 96 CO 0.64 -0.01 -0.01 0.93 -2.18 0.00 0.00 179.01 178.38 2x7b h GLU 97 N -0.01 0.00 -0.44 1.92 3.07 -1.98 -2.64 114.58 114.49 2x7b h GLU 97 Ca 0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.26 2x7b h GLU 97 Cb 0.64 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.55 2x7b h GLU 97 CO -0.93 0.01 0.00 0.66 -1.40 0.00 0.00 179.01 177.36 2x7b n TYR 98 N -3.59 0.61 -1.58 4.33 4.01 -0.22 -5.01 117.16 115.71 2x7b n TYR 98 Ca -0.03 -0.51 -0.31 0.00 -0.16 0.00 0.00 57.90 56.89 2x7b n TYR 98 Cb 0.10 -0.03 0.05 0.00 -0.31 0.00 0.00 39.34 39.15 2x7b n TYR 98 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2x7b s ARG 99 N -1.05 2.86 -1.50 -0.72 0.52 -1.00 -3.87 118.95 114.20 2x7b s ARG 99 Ca 0.30 0.91 -0.00 0.00 -0.52 0.00 0.00 55.73 56.42 2x7b s ARG 99 Cb 0.16 -1.98 0.00 0.00 0.52 0.00 0.00 34.95 33.65 2x7b s ARG 99 CO 0.20 -1.14 0.01 0.54 0.02 0.00 0.00 175.30 174.93 2x7b n ARG 100 N -3.15 -1.95 -0.04 3.54 5.12 -1.26 -4.87 116.66 114.04 2x7b n ARG 100 Ca 0.07 0.85 0.07 0.00 -1.93 0.00 0.00 57.85 56.91 2x7b n ARG 100 Cb 0.54 -5.49 0.08 0.00 -1.16 0.00 0.00 32.46 26.43 2x7b n ARG 100 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2x7b n LYS 101 N -2.95 1.29 -0.67 5.56 5.02 -1.25 -4.97 118.16 120.19 2x7b n LYS 101 Ca -0.21 -1.49 0.00 0.00 -2.02 0.00 0.00 58.31 54.60 2x7b n LYS 101 Cb 0.66 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 34.39 2x7b n LYS 101 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2x7b n GLY 102 N 0.76 0.62 0.10 0.72 0.00 -1.26 -5.00 105.19 101.13 2x7b n GLY 102 Ca 0.09 -0.45 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 2x7b n GLY 102 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2x7b h ILE 103 N 0.00 1.14 -0.97 -0.61 2.04 -1.93 -1.86 117.51 115.31 2x7b h ILE 103 Ca 0.00 -1.08 0.01 0.00 1.00 0.00 0.00 64.86 64.79 2x7b h ILE 103 Cb 0.00 1.80 -0.05 0.00 -0.74 0.00 0.00 36.82 37.84 2x7b h ILE 103 CO 0.00 0.25 0.64 0.00 0.00 0.00 0.00 178.15 179.05 2x7b h ALA 104 N 0.16 1.30 -0.20 1.87 0.00 -1.94 0.86 119.26 121.31 2x7b h ALA 104 Ca -0.01 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2x7b h ALA 104 Cb 0.51 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2x7b h ALA 104 CO 0.02 0.65 0.05 1.15 0.00 0.00 0.00 179.25 181.12 2x7b h THR 105 N 1.32 0.92 -0.68 0.00 2.02 -1.97 0.11 112.91 114.62 2x7b h THR 105 Ca 0.36 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.47 2x7b h THR 105 Cb -0.15 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 2x7b h THR 105 CO -0.08 0.02 0.35 0.74 0.37 0.00 0.00 175.52 176.93 2x7b h THR 106 N 0.13 1.22 -0.12 3.16 2.02 -0.66 -0.34 112.91 118.32 2x7b h THR 106 Ca 0.09 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 2x7b h THR 106 Cb 0.08 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2x7b h THR 106 CO -0.11 0.25 0.04 -0.07 0.37 0.00 0.00 175.52 176.00 2x7b h LEU 107 N 0.94 0.17 -0.36 2.58 3.38 -0.41 -1.80 115.31 119.81 2x7b h LEU 107 Ca 0.24 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 58.05 2x7b h LEU 107 Cb 0.07 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2x7b h LEU 107 CO -0.03 0.32 0.15 -0.07 0.09 0.00 0.00 178.44 178.89 2x7b h LEU 108 N 0.01 0.20 -0.53 1.67 3.38 -0.66 0.74 115.31 120.12 2x7b h LEU 108 Ca 0.04 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2x7b h LEU 108 Cb 0.21 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2x7b h LEU 108 CO -0.00 0.15 0.28 -0.33 0.09 0.00 0.00 178.44 178.63 2x7b h GLU 109 N 0.32 0.74 -0.55 1.13 5.08 -0.96 0.08 114.58 120.43 2x7b h GLU 109 Ca 0.16 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2x7b h GLU 109 Cb 0.10 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 2x7b h GLU 109 CO -0.13 0.58 0.28 0.00 -1.00 0.00 0.00 179.01 178.74 2x7b h ALA 110 N 1.12 0.71 -0.35 3.43 0.00 -1.15 -1.75 119.26 121.26 2x7b h ALA 110 Ca 0.18 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 2x7b h ALA 110 Cb 0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2x7b h ALA 110 CO -0.03 0.25 -0.13 1.03 0.00 0.00 0.00 179.25 180.37 2x7b h SER 111 N 0.74 0.73 -0.72 0.00 0.87 -0.52 -2.81 113.55 111.84 2x7b h SER 111 Ca 0.19 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 60.31 2x7b h SER 111 Cb 0.09 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 2x7b h SER 111 CO -0.03 0.95 0.27 0.24 -0.53 0.00 0.00 176.83 177.73 2x7b h MET 112 N 0.50 1.09 -0.51 2.24 2.07 -0.92 0.81 114.93 120.21 2x7b h MET 112 Ca 0.08 -0.21 0.08 0.00 -2.07 0.00 0.00 59.70 57.58 2x7b h MET 112 Cb 0.66 -0.17 -0.06 0.00 -1.87 0.00 0.00 31.60 30.16 2x7b h MET 112 CO 0.04 0.91 0.15 -0.22 1.07 0.00 0.00 176.91 178.86 2x7b h LYS 113 N 1.04 0.29 -0.31 1.72 3.64 -1.26 -1.88 116.57 119.82 2x7b h LYS 113 Ca 0.24 -0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.46 2x7b h LYS 113 Cb 0.25 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 2x7b h LYS 113 CO -0.02 0.19 -0.36 1.03 -2.27 0.00 0.00 179.45 178.03 2x7b h SER 114 N 0.30 0.85 -0.61 4.20 0.87 -1.19 0.16 113.55 118.13 2x7b h SER 114 Ca 0.25 -0.49 0.12 0.00 -1.23 0.00 0.00 61.79 60.45 2x7b h SER 114 Cb 0.31 -0.24 -0.10 0.00 -0.44 0.00 0.00 62.40 61.93 2x7b h SER 114 CO -0.29 1.16 0.07 0.24 -0.53 0.00 0.00 176.83 177.48 2x7b h MET 115 N 0.55 0.18 0.00 2.24 2.86 -0.46 0.35 114.93 120.66 2x7b h MET 115 Ca 0.04 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2x7b h MET 115 Cb 0.95 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.56 2x7b h MET 115 CO 0.09 0.12 -0.00 0.87 1.06 0.00 0.00 176.91 179.05 2x7b h LYS 116 N 0.19 -0.00 0.01 1.72 1.57 -1.25 -0.14 116.57 118.67 2x7b h LYS 116 Ca 0.32 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.85 2x7b h LYS 116 Cb 0.51 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 2x7b h LYS 116 CO -0.46 0.52 -1.38 -0.91 -0.57 0.00 0.00 179.45 176.65 2x7b h ASN 117 N -0.53 0.03 0.19 0.86 2.35 -0.29 -1.15 115.58 117.05 2x7b h ASN 117 Ca -0.00 -0.05 -0.34 0.00 -0.55 0.00 0.00 56.30 55.36 2x7b h ASN 117 Cb 0.53 -0.01 -0.06 0.00 0.05 0.00 0.00 38.32 38.83 2x7b h ASN 117 CO 0.00 1.04 -2.11 0.47 -1.65 0.00 0.00 177.43 175.18 2x7b n ASP 118 N -3.21 0.82 0.00 5.81 8.00 0.12 -4.65 116.55 123.44 2x7b n ASP 118 Ca -0.09 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.57 2x7b n ASP 118 Cb 1.00 0.22 0.00 0.00 -0.02 0.00 0.00 41.12 42.32 2x7b n ASP 118 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2x7b n TYR 119 N -3.01 0.00 -1.93 1.24 4.01 -1.03 -5.02 117.16 111.41 2x7b n TYR 119 Ca -0.29 -0.31 -0.17 0.00 -0.16 0.00 0.00 57.90 56.97 2x7b n TYR 119 Cb 1.09 -0.03 -0.04 0.00 -0.31 0.00 0.00 39.34 40.05 2x7b n TYR 119 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2x7b n ASN 120 N -0.31 -5.08 -4.77 7.72 3.02 -0.43 -4.90 115.26 110.50 2x7b n ASN 120 Ca 0.00 0.20 -0.41 0.00 -0.03 0.00 0.00 54.58 54.34 2x7b n ASN 120 Cb 0.17 -4.14 -0.01 0.00 -0.61 0.00 0.00 39.78 35.19 2x7b n ASN 120 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2x7b s ALA 121 N -2.76 3.58 -0.10 5.41 0.00 -0.12 -4.68 121.76 123.10 2x7b s ALA 121 Ca 0.00 1.45 0.11 0.00 0.00 0.00 0.00 51.96 53.52 2x7b s ALA 121 Cb 0.00 -3.57 -0.16 0.00 0.00 0.00 0.00 23.12 19.39 2x7b s ALA 121 CO 0.00 -0.89 0.27 -1.91 0.00 0.00 0.00 175.76 173.23 2x7b n GLU 122 N 1.05 0.89 -3.74 0.00 2.13 0.56 -4.29 120.64 117.24 2x7b n GLU 122 Ca 0.02 -0.08 -0.10 0.00 0.66 0.00 0.00 57.16 57.67 2x7b n GLU 122 Cb 0.40 -1.21 -0.05 0.00 0.27 0.00 0.00 31.44 30.85 2x7b n GLU 122 CO 0.00 0.00 0.00 -1.83 -0.41 0.00 0.00 177.13 174.89 2x7b s GLU 123 N -2.61 1.18 0.00 5.31 -1.05 -1.24 -4.81 118.70 115.48 2x7b s GLU 123 Ca -0.03 -0.86 0.02 0.00 -0.15 0.00 0.00 54.97 53.96 2x7b s GLU 123 Cb 0.07 0.47 -0.01 0.00 -0.44 0.00 0.00 34.13 34.22 2x7b s GLU 123 CO 0.44 -0.47 -0.08 0.42 0.95 0.00 0.00 175.26 176.52 2x7b s ILE 124 N -3.86 0.61 0.21 1.83 1.01 -0.63 -0.69 121.20 119.68 2x7b s ILE 124 Ca 0.08 -0.47 -0.06 0.00 0.00 0.00 0.00 60.65 60.20 2x7b s ILE 124 Cb 0.01 -0.54 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 2x7b s ILE 124 CO -0.07 0.07 0.26 -0.72 0.00 0.00 0.00 174.94 174.49 2x7b s TYR 125 N -0.39 0.82 0.31 3.97 -0.85 -0.16 -0.50 117.35 120.56 2x7b s TYR 125 Ca 0.01 -1.10 -0.19 0.00 -0.52 0.00 0.00 57.07 55.26 2x7b s TYR 125 Cb -0.04 -0.26 0.04 0.00 0.38 0.00 0.00 41.96 42.08 2x7b s TYR 125 CO -0.00 -0.77 0.77 -0.48 -1.52 0.00 0.00 175.55 173.55 2x7b s LEU 126 N -3.10 -0.15 0.05 -3.49 0.05 -0.22 -1.49 118.68 110.33 2x7b s LEU 126 Ca 0.31 -0.81 0.06 0.00 0.05 0.00 0.00 54.13 53.75 2x7b s LEU 126 Cb 0.04 2.72 -0.02 0.00 -2.05 0.00 0.00 46.19 46.88 2x7b s LEU 126 CO 0.10 -1.44 -0.18 -1.61 -0.55 0.00 0.00 176.35 172.67 2x7b s GLU 127 N -3.21 1.19 -0.05 1.48 8.01 -1.26 -1.42 118.70 123.43 2x7b s GLU 127 Ca 0.13 -0.88 -0.08 0.00 0.01 0.00 0.00 54.97 54.15 2x7b s GLU 127 Cb -0.05 -1.27 0.02 0.00 -4.31 0.00 0.00 34.13 28.52 2x7b s GLU 127 CO 0.08 0.32 0.21 0.54 0.01 0.00 0.00 175.26 176.42 2x7b s VAL 128 N -0.84 0.03 0.35 2.63 0.11 -0.66 -4.98 120.40 117.04 2x7b s VAL 128 Ca 0.05 -0.23 -0.29 0.00 -2.93 0.00 0.00 61.98 58.59 2x7b s VAL 128 Cb -0.08 -0.38 -0.11 0.00 -1.53 0.00 0.00 36.38 34.28 2x7b s VAL 128 CO 0.02 -0.12 1.52 -0.13 -3.33 0.00 0.00 175.10 173.06 2x7b s ARG 129 N -0.42 4.11 0.62 1.54 0.52 -1.26 -0.47 118.95 123.59 2x7b s ARG 129 Ca -0.05 2.58 0.40 0.00 -0.52 0.00 0.00 55.73 58.14 2x7b s ARG 129 Cb -0.03 -2.99 2.04 0.00 0.52 0.00 0.00 34.95 34.49 2x7b s ARG 129 CO 0.01 -0.57 2.22 -0.39 0.02 0.00 0.00 175.30 176.59 2x7b h VAL 130 N 3.12 0.00 -0.00 3.52 -1.51 -1.76 -1.34 116.25 118.28 2x7b h VAL 130 Ca -0.50 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.81 2x7b h VAL 130 Cb 1.23 1.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.54 2x7b h VAL 130 CO 0.69 0.00 -0.44 -1.54 -1.23 0.00 0.00 177.57 175.05 2x7b n SER 131 N -3.05 0.55 -3.83 4.19 3.41 -1.26 -4.66 113.62 108.97 2x7b n SER 131 Ca -0.02 -0.31 -0.42 0.00 -0.26 0.00 0.00 58.87 57.86 2x7b n SER 131 Cb 0.15 0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 2x7b n SER 131 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2x7b n ASN 132 N -1.38 4.16 -0.07 4.04 2.85 -0.51 -4.79 115.26 119.56 2x7b n ASN 132 Ca 0.07 -2.89 0.01 0.00 -0.11 0.00 0.00 54.58 51.66 2x7b n ASN 132 Cb 0.34 -1.64 0.31 0.00 1.24 0.00 0.00 39.78 40.03 2x7b n ASN 132 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 2x7b h TYR 133 N 6.11 0.68 -0.91 1.20 0.05 -1.85 -1.68 116.97 120.56 2x7b h TYR 133 Ca 0.53 -0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.28 2x7b h TYR 133 Cb 0.66 -0.22 -0.04 0.00 1.01 0.00 0.00 36.73 38.14 2x7b h TYR 133 CO 1.42 0.51 0.51 -1.35 -1.05 0.00 0.00 178.16 178.20 2x7b h PRO 134 N 0.69 1.27 0.08 4.88 0.11 -1.99 -1.37 132.00 135.67 2x7b h PRO 134 Ca 0.17 -0.14 -0.22 0.00 0.11 0.00 0.00 66.00 65.92 2x7b h PRO 134 Cb 0.09 -0.25 0.02 0.00 0.11 0.00 0.00 31.00 30.97 2x7b h PRO 134 CO -0.02 0.92 -0.92 0.00 -0.21 0.00 0.00 178.00 177.77 2x7b h ALA 135 N 1.28 0.01 -0.47 -0.75 0.00 -1.90 -1.63 119.26 115.80 2x7b h ALA 135 Ca 0.32 -0.68 0.07 0.00 0.00 0.00 0.00 54.91 54.62 2x7b h ALA 135 Cb 0.01 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2x7b h ALA 135 CO -0.05 0.50 0.12 0.82 0.00 0.00 0.00 179.25 180.65 2x7b h ILE 136 N 0.02 0.78 -0.25 0.00 2.04 -1.27 0.72 117.51 119.54 2x7b h ILE 136 Ca -0.14 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.65 2x7b h ILE 136 Cb 1.64 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 2x7b h ILE 136 CO 0.18 0.05 0.09 0.00 0.00 0.00 0.00 178.15 178.47 2x7b h ALA 137 N 1.35 0.28 -0.23 1.87 0.00 -1.23 -0.47 119.26 120.83 2x7b h ALA 137 Ca 0.23 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.23 2x7b h ALA 137 Cb 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.00 2x7b h ALA 137 CO -0.28 -0.32 -0.26 1.25 0.00 0.00 0.00 179.25 179.65 2x7b h LEU 138 N 0.21 -0.82 -0.64 0.00 5.85 -0.61 -1.95 115.31 117.35 2x7b h LEU 138 Ca 0.11 0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 2x7b h LEU 138 Cb 0.07 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 2x7b h LEU 138 CO -0.11 -0.29 0.14 1.88 -0.34 0.00 0.00 178.44 179.72 2x7b h TYR 139 N -0.27 1.10 -0.31 1.25 0.05 -0.64 -2.55 116.97 115.59 2x7b h TYR 139 Ca 0.13 -0.14 -0.07 0.00 0.05 0.00 0.00 58.73 58.70 2x7b h TYR 139 Cb 0.48 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.89 2x7b h TYR 139 CO -0.40 0.92 -0.10 0.93 -1.05 0.00 0.00 178.16 178.45 2x7b h GLU 140 N 0.96 0.52 -0.81 4.88 5.08 -0.95 -1.17 114.58 123.09 2x7b h GLU 140 Ca 0.20 -0.15 0.08 0.00 -1.00 0.00 0.00 59.36 58.49 2x7b h GLU 140 Cb 0.39 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 2x7b h GLU 140 CO 0.01 0.63 0.53 -0.22 -1.00 0.00 0.00 179.01 178.95 2x7b h LYS 141 N 0.49 0.81 -0.79 2.33 3.64 -0.96 -2.01 116.57 120.07 2x7b h LYS 141 Ca 0.09 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.33 2x7b h LYS 141 Cb 0.47 -0.18 -0.05 0.00 -0.41 0.00 0.00 32.23 32.06 2x7b h LYS 141 CO 0.03 0.53 0.12 1.28 -2.27 0.00 0.00 179.45 179.14 2x7b n LEU 142 N -4.50 4.57 -0.16 5.20 4.77 -0.54 -4.91 117.00 121.43 2x7b n LEU 142 Ca 0.13 -2.35 -0.02 0.00 -0.03 0.00 0.00 56.01 53.74 2x7b n LEU 142 Cb 0.26 -0.65 -0.01 0.00 -2.33 0.00 0.00 43.42 40.69 2x7b n LEU 142 CO 0.33 0.60 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.77 2x7b n ASN 143 N 0.15 -3.94 -4.77 -1.43 5.15 -0.76 -5.01 115.26 104.66 2x7b n ASN 143 Ca 0.25 0.05 -0.39 0.00 -0.60 0.00 0.00 54.58 53.88 2x7b n ASN 143 Cb 1.00 -1.62 -0.01 0.00 -0.53 0.00 0.00 39.78 38.61 2x7b n ASN 143 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 2x7b s PHE 144 N -1.85 2.98 0.06 1.20 0.08 -0.61 -4.62 117.98 115.22 2x7b s PHE 144 Ca 0.00 1.48 0.08 0.00 0.12 0.00 0.00 56.93 58.61 2x7b s PHE 144 Cb 0.00 -3.56 -0.03 0.00 -0.57 0.00 0.00 43.02 38.86 2x7b s PHE 144 CO 0.00 -1.71 -0.22 0.15 -0.10 0.00 0.00 175.22 173.34 2x7b s LYS 145 N -2.14 1.39 -0.03 0.44 -0.14 -0.59 -4.14 119.74 114.53 2x7b s LYS 145 Ca 0.55 -1.03 -0.30 0.00 -1.36 0.00 0.00 55.97 53.83 2x7b s LYS 145 Cb -0.36 -1.57 -0.06 0.00 -1.68 0.00 0.00 37.83 34.17 2x7b s LYS 145 CO 0.46 0.39 1.70 0.15 -0.76 0.00 0.00 175.35 177.29 2x7b s LYS 146 N -1.37 4.18 -0.20 1.68 1.02 -1.26 -1.15 119.74 122.64 2x7b s LYS 146 Ca 0.08 2.27 -0.17 0.00 0.02 0.00 0.00 55.97 58.17 2x7b s LYS 146 Cb -0.09 -3.97 -0.20 0.00 -0.52 0.00 0.00 37.83 33.05 2x7b s LYS 146 CO 0.02 -0.85 0.17 0.28 -0.92 0.00 0.00 175.35 174.06 2x7b n VAL 147 N 5.40 1.59 -3.64 3.17 0.31 0.79 -4.95 118.33 120.99 2x7b n VAL 147 Ca 0.17 -0.21 -0.05 0.00 -0.01 0.00 0.00 64.34 64.24 2x7b n VAL 147 Cb 0.42 -1.94 -0.02 0.00 -0.91 0.00 0.00 33.84 31.39 2x7b n VAL 147 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 2x7b s LYS 148 N -2.43 0.99 -0.21 5.55 -2.85 -1.18 -5.01 119.74 114.61 2x7b s LYS 148 Ca -0.29 -0.49 -0.14 0.00 -1.00 0.00 0.00 55.97 54.06 2x7b s LYS 148 Cb 0.07 0.38 -0.04 0.00 -2.06 0.00 0.00 37.83 36.18 2x7b s LYS 148 CO 0.62 -0.45 0.31 0.08 0.10 0.00 0.00 175.35 176.01 2x7b s VAL 149 N -3.16 5.26 -0.53 1.79 1.01 -1.26 -0.35 120.40 123.16 2x7b s VAL 149 Ca 0.09 0.52 -0.20 0.00 0.00 0.00 0.00 61.98 62.39 2x7b s VAL 149 Cb -0.01 -3.64 0.06 0.00 0.00 0.00 0.00 36.38 32.79 2x7b s VAL 149 CO -0.03 0.30 0.69 -0.76 0.00 0.00 0.00 175.10 175.30 2x7b s LEU 150 N 1.13 4.88 0.14 3.92 1.43 0.52 -4.95 118.68 125.76 2x7b s LEU 150 Ca 0.15 -0.90 -0.30 0.00 -1.03 0.00 0.00 54.13 52.05 2x7b s LEU 150 Cb -0.14 -2.48 -0.08 0.00 0.03 0.00 0.00 46.19 43.52 2x7b s LEU 150 CO 0.06 -0.98 1.25 -0.54 0.23 0.00 0.00 176.35 176.37 2x7b s LYS 151 N 2.87 4.43 -1.85 1.70 -0.14 -1.26 -1.27 119.74 124.21 2x7b s LYS 151 Ca 0.17 1.91 0.00 0.00 -1.36 0.00 0.00 55.97 56.69 2x7b s LYS 151 Cb -0.19 -3.26 0.00 0.00 -1.68 0.00 0.00 37.83 32.70 2x7b s LYS 151 CO 0.12 -0.22 0.00 0.41 -0.76 0.00 0.00 175.35 174.91 2x7b n GLY 152 N 2.70 0.20 0.30 -3.33 0.00 -1.24 -4.89 105.19 98.93 2x7b n GLY 152 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 2x7b n GLY 152 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2x7b h TYR 153 N 0.00 0.92 -3.95 1.61 3.20 -1.40 -3.43 116.97 113.91 2x7b h TYR 153 Ca -0.46 0.03 -0.49 0.00 3.14 0.00 0.00 58.73 60.95 2x7b h TYR 153 Cb 1.35 -0.30 0.02 0.00 1.54 0.00 0.00 36.73 39.34 2x7b h TYR 153 CO 0.57 0.48 0.25 0.71 -1.64 0.00 0.00 178.16 178.53 2x7b s TYR 154 N -6.08 3.49 0.42 -3.82 2.02 -0.51 -4.97 117.35 107.90 2x7b s TYR 154 Ca -0.13 1.22 -0.26 0.00 -0.37 0.00 0.00 57.07 57.53 2x7b s TYR 154 Cb 0.17 -2.60 -0.09 0.00 -0.40 0.00 0.00 41.96 39.04 2x7b s TYR 154 CO 0.78 -0.28 1.44 0.00 -1.57 0.00 0.00 175.55 175.92 2x7b s ALA 155 N -2.58 3.35 0.00 3.71 0.00 -1.26 -1.66 121.76 123.32 2x7b s ALA 155 Ca 0.54 1.48 0.00 0.00 0.00 0.00 0.00 51.96 53.99 2x7b s ALA 155 Cb -0.10 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.43 2x7b s ALA 155 CO 0.35 -1.12 0.00 -0.25 0.00 0.00 0.00 175.76 174.73 2x7b n ASP 156 N 0.04 0.00 0.00 0.00 9.92 -1.26 -4.54 116.55 120.71 2x7b n ASP 156 Ca 0.04 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.30 2x7b n ASP 156 Cb 0.41 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 2x7b n ASP 156 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2x7b n GLY 157 N 0.00 0.71 3.73 0.44 0.00 -0.66 -5.12 105.19 104.28 2x7b n GLY 157 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2x7b n GLY 157 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x7b s GLU 158 N 0.00 4.25 0.69 1.61 2.12 -1.25 -3.71 118.70 122.41 2x7b s GLU 158 Ca 0.00 2.31 -0.16 0.00 0.36 0.00 0.00 54.97 57.47 2x7b s GLU 158 Cb 0.00 -3.15 0.01 0.00 0.26 0.00 0.00 34.13 31.26 2x7b s GLU 158 CO 0.00 -0.52 1.23 -0.51 -0.54 0.00 0.00 175.26 174.92 2x7b s ASP 159 N 0.85 4.45 0.13 -1.70 1.01 -1.26 -1.42 116.67 118.73 2x7b s ASP 159 Ca 0.65 2.44 0.09 0.00 0.71 0.00 0.00 52.55 56.44 2x7b s ASP 159 Cb -0.42 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 40.87 2x7b s ASP 159 CO 0.36 -2.10 -0.17 0.00 0.21 0.00 0.00 175.17 173.47 2x7b s ALA 160 N -1.76 2.74 -0.12 5.23 0.00 -0.40 -2.10 121.76 125.34 2x7b s ALA 160 Ca 0.77 -1.38 -0.20 0.00 0.00 0.00 0.00 51.96 51.16 2x7b s ALA 160 Cb -0.32 -0.66 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 2x7b s ALA 160 CO 0.42 0.57 0.55 0.71 0.00 0.00 0.00 175.76 178.01 2x7b s TYR 161 N -1.26 3.51 -0.27 0.00 2.02 0.38 -0.35 117.35 121.37 2x7b s TYR 161 Ca 0.19 0.97 -0.28 0.00 -0.37 0.00 0.00 57.07 57.59 2x7b s TYR 161 Cb -0.10 -2.64 0.01 0.00 -0.40 0.00 0.00 41.96 38.82 2x7b s TYR 161 CO 0.11 0.10 0.99 -1.17 -1.57 0.00 0.00 175.55 174.01 2x7b s LEU 162 N 0.85 4.04 -0.05 -1.29 2.96 0.52 -1.65 118.68 124.07 2x7b s LEU 162 Ca 0.29 1.12 0.06 0.00 -0.22 0.00 0.00 54.13 55.38 2x7b s LEU 162 Cb -0.16 -3.43 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 2x7b s LEU 162 CO 0.12 -0.72 -0.22 -0.04 -1.32 0.00 0.00 176.35 174.18 2x7b s MET 163 N 3.28 2.44 0.04 1.98 -1.94 -0.51 -0.15 119.30 124.44 2x7b s MET 163 Ca 0.42 -0.84 -0.02 0.00 -1.71 0.00 0.00 55.69 53.53 2x7b s MET 163 Cb -0.14 -2.21 -0.02 0.00 2.01 0.00 0.00 34.83 34.47 2x7b s MET 163 CO 0.10 0.50 0.02 0.00 -0.01 0.00 0.00 175.02 175.63 2x7b s ALA 164 N -0.44 0.16 -0.05 3.03 0.00 -0.30 -1.05 121.76 123.11 2x7b s ALA 164 Ca 0.05 -0.76 0.01 0.00 0.00 0.00 0.00 51.96 51.26 2x7b s ALA 164 Cb -0.12 0.22 0.02 0.00 0.00 0.00 0.00 23.12 23.25 2x7b s ALA 164 CO 0.01 -0.28 -0.06 0.50 0.00 0.00 0.00 175.76 175.93 2x7b s ARG 165 N -2.64 1.03 0.00 0.00 3.52 0.35 -1.54 118.95 119.67 2x7b s ARG 165 Ca -0.05 -0.16 0.16 0.00 -0.13 0.00 0.00 55.73 55.55 2x7b s ARG 165 Cb -0.01 -1.00 0.96 0.00 -1.56 0.00 0.00 34.95 33.33 2x7b s ARG 165 CO -0.05 -0.08 1.37 -0.35 -0.81 0.00 0.00 175.30 175.38