#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djb n SER 2 N 0.00 -4.11 -3.70 1.61 2.88 -1.26 -5.03 113.62 104.02 2djb n SER 2 Ca 0.00 -0.36 -0.14 0.00 -1.33 0.00 0.00 58.87 57.03 2djb n SER 2 Cb 0.00 -3.46 -0.07 0.00 -0.75 0.00 0.00 64.21 59.93 2djb n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2djb s SER 3 N -3.39 0.70 0.00 -3.46 0.01 -1.26 -5.16 113.70 101.15 2djb s SER 3 Ca 0.28 -1.44 0.00 0.00 1.31 0.00 0.00 55.95 56.10 2djb s SER 3 Cb -0.12 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2djb s SER 3 CO 0.47 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.67 2djb n GLY 4 N -0.46 3.84 3.56 3.44 0.00 -1.26 -5.16 105.19 109.15 2djb n GLY 4 Ca 0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 2djb n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2djb s SER 5 N 0.00 -1.07 -0.29 1.61 1.04 -1.26 -5.16 113.70 108.58 2djb s SER 5 Ca 0.00 1.44 -0.22 0.00 0.48 0.00 0.00 55.95 57.65 2djb s SER 5 Cb 0.00 2.19 0.15 0.00 0.10 0.00 0.00 66.02 68.46 2djb s SER 5 CO 0.00 -0.23 1.15 -0.94 0.98 0.00 0.00 173.24 174.20 2djb s SER 6 N 2.86 -0.32 0.00 7.02 1.04 -1.26 -5.09 113.70 117.96 2djb s SER 6 Ca -0.03 0.58 0.00 0.00 0.48 0.00 0.00 55.95 56.98 2djb s SER 6 Cb -0.12 0.77 0.00 0.00 0.10 0.00 0.00 66.02 66.77 2djb s SER 6 CO -0.19 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.55 2djb n GLY 7 N 2.49 -0.77 2.82 7.32 0.00 -1.26 -5.14 105.19 110.65 2djb n GLY 7 Ca -0.14 0.24 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2djb n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2djb s ASN 8 N 0.00 4.06 -0.10 1.61 2.20 -1.26 -5.09 114.94 116.36 2djb s ASN 8 Ca 0.00 -1.61 -0.04 0.00 -0.94 0.00 0.00 52.86 50.26 2djb s ASN 8 Cb 0.00 -1.04 0.05 0.00 -2.00 0.00 0.00 41.25 38.26 2djb s ASN 8 CO 0.00 -0.38 0.21 -1.48 -2.94 0.00 0.00 177.10 172.52 2djb s LEU 9 N 1.47 0.34 -0.30 3.54 0.05 -1.26 -5.12 118.68 117.39 2djb s LEU 9 Ca 0.07 0.45 -0.06 0.00 0.05 0.00 0.00 54.13 54.64 2djb s LEU 9 Cb -0.18 0.57 0.19 0.00 -2.05 0.00 0.00 46.19 44.72 2djb s LEU 9 CO -0.18 -0.18 0.83 -0.44 -0.55 0.00 0.00 176.35 175.83 2djb s SER 10 N 1.52 -0.93 -0.07 1.48 0.01 -1.26 -5.16 113.70 109.30 2djb s SER 10 Ca -0.06 0.45 0.04 0.00 1.31 0.00 0.00 55.95 57.69 2djb s SER 10 Cb -0.11 1.73 -0.00 0.00 0.21 0.00 0.00 66.02 67.84 2djb s SER 10 CO -0.08 -0.17 -0.21 -1.61 0.41 0.00 0.00 173.24 171.58 2djb s GLU 11 N 2.91 2.41 -0.30 12.44 2.02 -1.26 -5.10 118.70 131.83 2djb s GLU 11 Ca 0.12 -0.76 -0.02 0.00 0.02 0.00 0.00 54.97 54.32 2djb s GLU 11 Cb -0.11 -1.96 0.19 0.00 0.10 0.00 0.00 34.13 32.36 2djb s GLU 11 CO -0.18 0.23 0.74 -1.17 0.02 0.00 0.00 175.26 174.90 2djb s LEU 12 N 0.17 -1.17 0.10 1.80 1.98 -1.26 -5.17 118.68 115.13 2djb s LEU 12 Ca -0.10 0.45 0.05 0.00 -2.89 0.00 0.00 54.13 51.64 2djb s LEU 12 Cb -0.15 1.87 -0.03 0.00 0.66 0.00 0.00 46.19 48.53 2djb s LEU 12 CO 0.05 -0.22 -0.13 0.42 -1.89 0.00 0.00 176.35 174.59 2djb s THR 13 N 2.88 1.12 1.08 3.68 -4.23 -1.26 -5.16 115.64 113.76 2djb s THR 13 Ca 0.14 -1.56 -0.15 0.00 -1.18 0.00 0.00 61.69 58.95 2djb s THR 13 Cb -0.11 -1.32 0.23 0.00 1.34 0.00 0.00 72.50 72.64 2djb s THR 13 CO -0.21 -0.41 1.10 -2.16 -0.54 0.00 0.00 174.62 172.40 2djb s PRO 14 N -2.41 -0.27 0.00 3.99 0.04 -1.26 -4.87 135.00 130.22 2djb s PRO 14 Ca 0.04 0.28 -0.04 0.00 0.04 0.00 0.00 61.00 61.32 2djb s PRO 14 Cb -0.06 -1.68 -0.18 0.00 0.04 0.00 0.00 34.50 32.63 2djb s PRO 14 CO 0.02 -3.15 2.90 2.48 0.04 0.00 0.00 177.00 179.29 2djb n TYR 15 N -4.43 0.00 -0.06 0.56 4.11 -1.26 -3.75 117.16 112.34 2djb n TYR 15 Ca 0.08 -1.23 -0.10 0.00 -0.00 0.00 0.00 57.90 56.65 2djb n TYR 15 Cb 0.58 -1.20 -0.05 0.00 -0.00 0.00 0.00 39.34 38.67 2djb n TYR 15 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.86 175.97 2djb n ILE 16 N 2.27 0.67 -0.49 -3.48 2.08 -1.26 -5.03 119.36 114.11 2djb n ILE 16 Ca 0.28 -0.22 -0.24 0.00 0.56 0.00 0.00 62.75 63.13 2djb n ILE 16 Cb 0.73 -1.22 0.19 0.00 -0.75 0.00 0.00 39.64 38.59 2djb n ILE 16 CO 0.00 0.00 0.00 0.18 0.56 0.00 0.00 176.55 177.29 2djb n LEU 17 N -3.13 -1.37 -4.83 1.39 4.77 -1.25 -4.42 117.00 108.16 2djb n LEU 17 Ca -0.22 -0.43 -0.21 0.00 -0.03 0.00 0.00 56.01 55.12 2djb n LEU 17 Cb 0.70 -0.88 -0.04 0.00 -2.33 0.00 0.00 43.42 40.87 2djb n LEU 17 CO 0.07 -3.50 -0.09 0.00 -1.33 0.00 0.00 177.39 172.54 2djb n SER 19 N -1.37 1.95 -0.05 0.00 3.41 -1.26 -3.51 113.62 112.80 2djb n SER 19 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.59 2djb n SER 19 Cb 0.60 1.10 -0.00 0.00 -0.26 0.00 0.00 64.21 65.65 2djb n SER 19 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 2djb h ILE 20 N 0.00 0.00 0.00 -1.33 5.03 -1.98 -3.40 117.51 115.83 2djb h ILE 20 Ca -0.21 -0.93 0.00 0.00 -0.12 0.00 0.00 64.86 63.60 2djb h ILE 20 Cb 1.34 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 35.13 2djb h ILE 20 CO 0.01 0.00 -1.22 0.00 -0.68 0.00 0.00 178.15 176.26 2djb n LYS 22 N -2.52 -6.33 -3.75 0.00 4.76 -1.23 -4.99 118.16 104.11 2djb n LYS 22 Ca -0.01 0.78 -0.12 0.00 -2.87 0.00 0.00 58.31 56.09 2djb n LYS 22 Cb 0.54 -5.62 -0.08 0.00 -1.84 0.00 0.00 35.03 28.04 2djb n LYS 22 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2djb s GLY 23 N -4.10 -0.15 0.02 0.72 0.00 -1.26 -4.72 107.32 97.82 2djb s GLY 23 Ca 0.09 0.18 -0.28 0.00 0.00 0.00 0.00 44.72 44.71 2djb s GLY 23 CO 0.67 -0.04 0.73 -1.72 0.00 0.00 0.00 173.10 172.75 2djb n TYR 24 N 0.87 0.38 -1.17 1.90 4.01 -1.26 -3.74 117.16 118.14 2djb n TYR 24 Ca -0.20 0.76 -0.32 0.00 -0.16 0.00 0.00 57.90 57.99 2djb n TYR 24 Cb 0.58 -1.51 0.11 0.00 -0.31 0.00 0.00 39.34 38.21 2djb n TYR 24 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2djb s LEU 25 N 0.24 3.06 -0.00 7.72 1.43 -1.26 -4.96 118.68 124.91 2djb s LEU 25 Ca 0.64 2.05 -0.00 0.00 -1.03 0.00 0.00 54.13 55.79 2djb s LEU 25 Cb -0.90 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 40.77 2djb s LEU 25 CO 0.41 -2.37 -0.01 -0.38 0.23 0.00 0.00 176.35 174.24 2djb n ILE 26 N -3.48 0.07 0.06 -0.59 -0.00 -1.26 -4.84 119.36 109.31 2djb n ILE 26 Ca 0.11 0.21 -0.14 0.00 -0.00 0.00 0.00 62.75 62.93 2djb n ILE 26 Cb 0.52 -1.24 -0.14 0.00 -0.00 0.00 0.00 39.64 38.78 2djb n ILE 26 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2djb h ASP 27 N -0.02 0.27 -3.28 4.38 5.19 -1.95 -3.49 116.42 117.52 2djb h ASP 27 Ca 0.00 -0.36 -0.10 0.00 -0.62 0.00 0.00 57.03 55.95 2djb h ASP 27 Cb 0.02 -0.09 0.06 0.00 0.18 0.00 0.00 39.33 39.50 2djb h ASP 27 CO 0.00 1.29 -0.26 0.00 -3.12 0.00 0.00 179.24 177.16 2djb n ALA 28 N -2.57 -0.74 -2.58 3.45 0.00 -1.26 -4.94 120.51 111.87 2djb n ALA 28 Ca -0.12 -0.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.90 2djb n ALA 28 Cb 1.02 -1.30 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 2djb n ALA 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2djb s THR 29 N -3.12 3.81 -0.13 0.00 2.01 0.03 -4.83 115.64 113.41 2djb s THR 29 Ca 0.02 0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.09 2djb s THR 29 Cb -0.00 -4.92 -0.04 0.00 0.01 0.00 0.00 72.50 67.54 2djb s THR 29 CO 0.24 -1.83 0.16 -0.89 -0.69 0.00 0.00 174.62 171.60 2djb s THR 30 N 5.45 5.46 0.64 -0.82 2.01 -1.26 -1.74 115.64 125.37 2djb s THR 30 Ca 0.35 0.25 -0.12 0.00 0.31 0.00 0.00 61.69 62.48 2djb s THR 30 Cb -0.08 -3.44 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 2djb s THR 30 CO 0.11 0.57 1.04 -0.63 -0.69 0.00 0.00 174.62 175.02 2djb s ILE 31 N -0.68 4.21 -0.06 1.82 1.01 0.03 -4.90 121.20 122.64 2djb s ILE 31 Ca 0.14 0.82 0.21 0.00 0.00 0.00 0.00 60.65 61.82 2djb s ILE 31 Cb -0.12 -3.55 -0.32 0.00 0.01 0.00 0.00 42.46 38.48 2djb s ILE 31 CO 0.03 -0.84 0.47 0.41 0.00 0.00 0.00 174.94 175.01 2djb n THR 32 N -2.64 0.00 0.00 2.92 -1.04 -1.26 -3.17 114.28 109.09 2djb n THR 32 Ca 0.07 -0.45 0.00 0.00 -2.04 0.00 0.00 64.05 61.63 2djb n THR 32 Cb 0.54 0.07 0.00 0.00 -1.82 0.00 0.00 70.33 69.11 2djb n THR 32 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2djb n GLU 33 N -2.19 0.00 0.00 -2.82 2.13 -1.26 -4.18 120.64 112.32 2djb n GLU 33 Ca -0.03 0.44 0.13 0.00 0.66 0.00 0.00 57.16 58.35 2djb n GLU 33 Cb 0.53 -1.14 0.35 0.00 0.27 0.00 0.00 31.44 31.45 2djb n GLU 33 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2djb n LEU 35 N -1.55 -4.43 -4.33 0.00 4.32 -1.19 -5.02 117.00 104.80 2djb n LEU 35 Ca 0.06 -0.58 -0.32 0.00 -0.02 0.00 0.00 56.01 55.15 2djb n LEU 35 Cb 0.34 -2.85 -0.15 0.00 -1.62 0.00 0.00 43.42 39.14 2djb n LEU 35 CO 0.33 0.23 -0.52 -1.00 -1.22 0.00 0.00 177.39 175.20 2djb s HIS 36 N -3.33 2.55 0.10 -1.77 3.76 -1.24 -4.88 115.29 110.47 2djb s HIS 36 Ca 0.18 -0.58 -0.23 0.00 -0.15 0.00 0.00 55.06 54.28 2djb s HIS 36 Cb -0.02 -1.64 -0.07 0.00 1.11 0.00 0.00 32.58 31.96 2djb s HIS 36 CO 0.65 -0.12 0.71 0.99 -0.85 0.00 0.00 174.74 176.11 2djb s THR 37 N -0.23 4.60 -0.01 1.30 2.01 -1.26 -0.79 115.64 121.26 2djb s THR 37 Ca -0.01 1.53 -0.20 0.00 0.31 0.00 0.00 61.69 63.32 2djb s THR 37 Cb -0.13 -4.06 0.04 0.00 0.01 0.00 0.00 72.50 68.36 2djb s THR 37 CO 0.03 0.48 0.43 -0.36 -0.69 0.00 0.00 174.62 174.51 2djb s PHE 38 N -0.75 -0.32 0.07 4.92 0.08 -0.71 -4.91 117.98 116.36 2djb s PHE 38 Ca 0.34 0.48 -0.31 0.00 0.12 0.00 0.00 56.93 57.57 2djb s PHE 38 Cb -0.21 0.20 -0.07 0.00 -0.57 0.00 0.00 43.02 42.38 2djb s PHE 38 CO 0.23 -0.49 1.33 0.00 -0.10 0.00 0.00 175.22 176.19 2djb h LYS 40 N 7.03 0.00 -0.01 0.00 1.63 -1.92 0.45 116.57 123.75 2djb h LYS 40 Ca -0.41 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.39 2djb h LYS 40 Cb 1.20 -0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2djb h LYS 40 CO 0.86 0.00 0.00 0.66 -3.45 0.00 0.00 179.45 177.52 2djb h SER 41 N 0.00 0.02 0.32 4.20 4.64 -1.98 -2.43 113.55 118.32 2djb h SER 41 Ca 0.52 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 61.57 2djb h SER 41 Cb 0.89 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2djb h SER 41 CO -0.99 0.27 -0.22 0.00 -0.87 0.00 0.00 176.83 175.02 2djb h ILE 43 N -0.51 0.11 -0.13 0.00 6.09 -0.40 1.08 117.51 123.75 2djb h ILE 43 Ca -0.04 -0.02 -0.15 0.00 -1.37 0.00 0.00 64.86 63.27 2djb h ILE 43 Cb 0.41 0.04 -0.01 0.00 0.47 0.00 0.00 36.82 37.74 2djb h ILE 43 CO 0.03 0.01 -0.57 0.58 -3.07 0.00 0.00 178.15 175.13 2djb h VAL 44 N 0.07 1.35 0.00 2.19 2.07 -1.19 -2.15 116.25 118.58 2djb h VAL 44 Ca 0.61 -1.86 -0.09 0.00 0.82 0.00 0.00 66.70 66.17 2djb h VAL 44 Cb 1.30 1.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 2djb h VAL 44 CO -0.82 0.57 -0.43 -0.09 0.02 0.00 0.00 177.57 176.82 2djb h ARG 45 N 0.32 0.00 0.01 1.57 2.43 0.63 -2.99 114.38 116.35 2djb h ARG 45 Ca 0.00 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.94 2djb h ARG 45 Cb 1.10 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.62 2djb h ARG 45 CO 0.10 0.43 -1.12 1.25 -1.51 0.00 0.00 179.97 179.12 2djb h HIS 46 N 0.00 0.03 0.00 2.20 2.76 0.21 -3.26 115.15 117.09 2djb h HIS 46 Ca -0.00 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.09 2djb h HIS 46 Cb 0.94 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.89 2djb h HIS 46 CO 0.00 1.02 -0.26 0.74 -1.30 0.00 0.00 177.93 178.13 2djb h PHE 47 N 0.00 0.00 -0.39 5.26 0.04 -1.27 0.43 116.94 121.02 2djb h PHE 47 Ca -0.06 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 2djb h PHE 47 Cb 1.82 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.95 2djb h PHE 47 CO 0.00 0.26 0.11 1.88 -0.60 0.00 0.00 178.31 179.96 2djb h TYR 48 N 0.00 0.63 0.06 -0.55 0.05 -1.56 -3.30 116.97 112.30 2djb h TYR 48 Ca -0.00 -0.07 -0.34 0.00 0.05 0.00 0.00 58.73 58.37 2djb h TYR 48 Cb 0.73 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.26 2djb h TYR 48 CO 0.00 0.61 -1.88 0.66 -1.05 0.00 0.00 178.16 176.50 2djb n TYR 49 N -4.59 0.90 -3.98 4.88 4.01 -1.17 -4.85 117.16 112.35 2djb n TYR 49 Ca -0.01 0.26 -0.31 0.00 -0.16 0.00 0.00 57.90 57.69 2djb n TYR 49 Cb 0.19 -1.11 -0.16 0.00 -0.31 0.00 0.00 39.34 37.96 2djb n TYR 49 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2djb s SER 50 N -6.97 3.75 0.00 7.72 0.15 0.15 -5.00 113.70 113.50 2djb s SER 50 Ca -0.28 -1.09 -0.02 0.00 0.70 0.00 0.00 55.95 55.26 2djb s SER 50 Cb 0.08 -1.26 -0.09 0.00 -1.71 0.00 0.00 66.02 63.03 2djb s SER 50 CO 0.66 -0.19 2.20 -0.46 1.20 0.00 0.00 173.24 176.65 2djb n ASN 51 N 4.64 4.25 -3.88 5.45 6.94 -1.24 -3.28 115.26 128.14 2djb n ASN 51 Ca -0.13 -2.20 -0.12 0.00 -0.02 0.00 0.00 54.58 52.11 2djb n ASN 51 Cb 0.45 -1.00 -0.07 0.00 -2.36 0.00 0.00 39.78 36.79 2djb n ASN 51 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 2djb s ARG 52 N 0.82 1.50 -0.04 -3.83 0.52 -1.26 -3.80 118.95 112.87 2djb s ARG 52 Ca 0.23 -1.55 -0.25 0.00 -0.52 0.00 0.00 55.73 53.63 2djb s ARG 52 Cb 0.11 0.38 -0.04 0.00 0.52 0.00 0.00 34.95 35.92 2djb s ARG 52 CO 0.00 -0.58 0.78 0.00 0.02 0.00 0.00 175.30 175.53 2djb n PRO 54 N 3.77 0.49 0.00 0.00 -0.04 -1.26 -0.02 135.00 137.94 2djb n PRO 54 Ca 0.01 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2djb n PRO 54 Cb 0.51 -1.09 -0.00 0.00 -0.04 0.00 0.00 33.50 32.88 2djb n PRO 54 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2djb n LYS 55 N -0.59 0.00 0.10 0.54 3.00 -1.26 -4.83 118.16 115.12 2djb n LYS 55 Ca 0.02 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.45 2djb n LYS 55 Cb 0.01 -0.12 0.11 0.00 0.00 0.00 0.00 35.03 35.03 2djb n LYS 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2djb n ASN 57 N -2.48 -3.75 -4.59 0.00 4.13 0.97 -4.95 115.26 104.59 2djb n ASN 57 Ca 0.02 -0.51 -0.26 0.00 1.68 0.00 0.00 54.58 55.51 2djb n ASN 57 Cb 0.50 -4.07 -0.09 0.00 -1.54 0.00 0.00 39.78 34.58 2djb n ASN 57 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2djb s ILE 58 N -3.29 3.30 -0.85 2.41 -4.36 -1.26 -4.72 121.20 112.43 2djb s ILE 58 Ca 0.17 -1.63 -0.25 0.00 -0.26 0.00 0.00 60.65 58.68 2djb s ILE 58 Cb -0.02 -2.65 0.02 0.00 1.25 0.00 0.00 42.46 41.07 2djb s ILE 58 CO 0.56 -0.13 1.49 -0.69 0.24 0.00 0.00 174.94 176.41 2djb s VAL 59 N -1.75 3.73 -0.67 8.37 1.01 -1.26 -2.00 120.40 127.83 2djb s VAL 59 Ca 0.26 -0.16 -0.21 0.00 0.00 0.00 0.00 61.98 61.87 2djb s VAL 59 Cb -0.09 -4.76 0.09 0.00 0.00 0.00 0.00 36.38 31.63 2djb s VAL 59 CO 0.16 -1.68 0.89 -0.69 0.00 0.00 0.00 175.10 173.78 2djb s VAL 60 N 6.32 4.58 -0.24 2.92 1.01 -1.25 -4.96 120.40 128.78 2djb s VAL 60 Ca 0.47 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 2djb s VAL 60 Cb -0.05 -4.62 0.12 0.00 0.00 0.00 0.00 36.38 31.83 2djb s VAL 60 CO 0.04 -1.34 0.34 -1.00 0.00 0.00 0.00 175.10 173.14 2djb s HIS 61 N 3.32 -0.68 -0.70 5.22 3.76 -1.26 -4.90 115.29 120.04 2djb s HIS 61 Ca 0.20 0.64 -0.25 0.00 -0.15 0.00 0.00 55.06 55.50 2djb s HIS 61 Cb -0.18 -0.09 -0.14 0.00 1.11 0.00 0.00 32.58 33.28 2djb s HIS 61 CO 0.06 -0.70 2.42 0.94 -0.85 0.00 0.00 174.74 176.61 2djb n GLN 62 N 5.35 0.66 -1.70 1.40 7.27 -1.26 -4.83 117.38 124.26 2djb n GLN 62 Ca -0.04 -0.34 -0.55 0.00 0.07 0.00 0.00 57.00 56.14 2djb n GLN 62 Cb 0.50 -3.14 -0.07 0.00 2.41 0.00 0.00 30.24 29.94 2djb n GLN 62 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 2djb n THR 63 N 8.05 0.34 -3.64 1.69 5.66 -1.26 -4.93 114.28 120.19 2djb n THR 63 Ca 0.47 -0.06 -0.09 0.00 -3.05 0.00 0.00 64.05 61.31 2djb n THR 63 Cb 0.41 -1.34 -0.07 0.00 -1.55 0.00 0.00 70.33 67.79 2djb n THR 63 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2djb s GLN 64 N 3.47 0.54 0.00 1.09 2.00 -1.26 -5.01 119.66 120.48 2djb s GLN 64 Ca 0.96 0.66 0.00 0.00 -2.00 0.00 0.00 55.36 54.98 2djb s GLN 64 Cb -0.98 0.25 0.00 0.00 0.80 0.00 0.00 33.01 33.07 2djb s GLN 64 CO 0.62 -0.07 0.44 -0.35 -0.50 0.00 0.00 175.29 175.42 2djb n PRO 65 N 2.42 0.49 -3.15 1.67 -0.04 -1.26 -4.39 135.00 130.73 2djb n PRO 65 Ca -0.13 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.38 2djb n PRO 65 Cb 0.56 -1.05 -0.01 0.00 -0.04 0.00 0.00 33.50 32.95 2djb n PRO 65 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 2djb s LEU 66 N -0.79 -0.63 1.12 1.53 2.34 -1.26 -5.17 118.68 115.82 2djb s LEU 66 Ca 0.00 0.36 -0.14 0.00 0.06 0.00 0.00 54.13 54.41 2djb s LEU 66 Cb 0.00 1.51 0.20 0.00 -0.56 0.00 0.00 46.19 47.35 2djb s LEU 66 CO 0.00 -0.12 0.69 -1.20 -1.06 0.00 0.00 176.35 174.66 2djb n SER 67 N 5.44 -1.74 -3.20 1.48 7.64 -1.26 -5.01 113.62 116.97 2djb n SER 67 Ca -0.05 -0.05 -0.24 0.00 1.01 0.00 0.00 58.87 59.54 2djb n SER 67 Cb 0.54 -1.19 -0.07 0.00 -1.01 0.00 0.00 64.21 62.47 2djb n SER 67 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2djb n GLY 68 N 1.27 2.80 0.11 0.23 0.00 -1.26 -4.97 105.19 103.37 2djb n GLY 68 Ca 0.03 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 2djb n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djb h PRO 69 N 4.13 0.23 -6.70 1.61 0.13 -2.05 -3.47 132.00 125.87 2djb h PRO 69 Ca 0.09 -0.12 -0.54 0.00 -0.87 0.00 0.00 66.00 64.55 2djb h PRO 69 Cb 0.88 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.83 2djb h PRO 69 CO 0.45 0.65 -0.83 0.45 -0.23 0.00 0.00 178.00 178.49 2djb n SER 70 N -4.66 -3.17 -4.15 1.44 2.88 -1.26 -4.94 113.62 99.75 2djb n SER 70 Ca -0.07 -1.00 -0.15 0.00 -1.33 0.00 0.00 58.87 56.33 2djb n SER 70 Cb 0.32 -2.85 -0.11 0.00 -0.75 0.00 0.00 64.21 60.83 2djb n SER 70 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2djb s SER 71 N -3.38 1.34 0.00 -3.46 0.15 -1.26 -5.36 113.70 101.73 2djb s SER 71 Ca 0.68 -0.73 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2djb s SER 71 Cb -0.37 0.01 0.00 0.00 -1.71 0.00 0.00 66.02 63.95 2djb s SER 71 CO 0.92 -0.23 0.28 0.61 1.20 0.00 0.00 173.24 176.02