#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2djb s SER 2 N 0.00 4.55 0.12 1.61 1.04 -1.26 -5.09 113.70 114.67 2djb s SER 2 Ca 0.00 -1.23 0.00 0.00 0.48 0.00 0.00 55.95 55.20 2djb s SER 2 Cb 0.00 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.29 2djb s SER 2 CO 0.00 -0.92 0.00 -0.24 0.98 0.00 0.00 173.24 173.06 2djb n SER 3 N -1.57 0.96 0.00 7.02 2.88 -1.26 -5.09 113.62 116.57 2djb n SER 3 Ca -0.04 0.18 0.00 0.00 -1.33 0.00 0.00 58.87 57.68 2djb n SER 3 Cb 0.65 -0.25 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 2djb n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djb n GLY 4 N 3.29 3.51 4.26 0.46 0.00 -1.26 -4.91 105.19 110.54 2djb n GLY 4 Ca 0.00 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.86 2djb n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2djb n SER 5 N 0.00 -0.75 -4.76 1.61 3.41 -1.26 -4.84 113.62 107.04 2djb n SER 5 Ca 0.00 -1.16 -0.36 0.00 -0.26 0.00 0.00 58.87 57.09 2djb n SER 5 Cb 0.00 -1.47 0.03 0.00 -0.26 0.00 0.00 64.21 62.51 2djb n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2djb s SER 6 N -3.51 5.21 0.08 4.04 0.15 -1.26 -5.04 113.70 113.38 2djb s SER 6 Ca 0.49 2.33 -0.26 0.00 0.70 0.00 0.00 55.95 59.22 2djb s SER 6 Cb -0.29 -2.59 0.08 0.00 -1.71 0.00 0.00 66.02 61.51 2djb s SER 6 CO 0.94 -1.57 0.77 -0.83 1.20 0.00 0.00 173.24 173.74 2djb s GLY 7 N -1.70 -0.50 -0.20 9.45 0.00 -1.26 -5.15 107.32 107.96 2djb s GLY 7 Ca 0.76 0.70 -0.04 0.00 0.00 0.00 0.00 44.72 46.14 2djb s GLY 7 CO 0.33 0.23 0.07 0.21 0.00 0.00 0.00 173.10 173.94 2djb s ASN 8 N -2.63 2.80 0.32 1.64 2.47 -1.26 -5.13 114.94 113.15 2djb s ASN 8 Ca 0.04 -0.82 0.04 0.00 0.42 0.00 0.00 52.86 52.54 2djb s ASN 8 Cb -0.01 -0.45 -0.02 0.00 -1.45 0.00 0.00 41.25 39.32 2djb s ASN 8 CO -0.09 -0.34 0.32 -0.76 -3.72 0.00 0.00 177.10 172.50 2djb s LEU 9 N 1.98 1.54 0.20 3.21 1.43 -1.26 -5.16 118.68 120.62 2djb s LEU 9 Ca 0.02 -1.67 -0.17 0.00 -1.03 0.00 0.00 54.13 51.28 2djb s LEU 9 Cb -0.17 0.76 -0.08 0.00 0.03 0.00 0.00 46.19 46.74 2djb s LEU 9 CO -0.12 -1.10 0.64 -0.44 0.23 0.00 0.00 176.35 175.56 2djb s SER 10 N -3.33 6.92 -0.32 2.29 0.01 -1.26 -5.00 113.70 113.01 2djb s SER 10 Ca 0.38 1.24 0.08 0.00 1.31 0.00 0.00 55.95 58.96 2djb s SER 10 Cb 0.02 -2.35 0.45 0.00 0.21 0.00 0.00 66.02 64.35 2djb s SER 10 CO 0.25 0.04 1.17 -1.84 0.41 0.00 0.00 173.24 173.27 2djb n GLU 11 N 0.65 3.44 -3.00 12.44 0.00 -1.26 -4.98 120.64 127.93 2djb n GLU 11 Ca -0.03 -4.19 -0.44 0.00 0.00 0.00 0.00 57.16 52.50 2djb n GLU 11 Cb 0.52 -2.22 -0.03 0.00 0.00 0.00 0.00 31.44 29.71 2djb n GLU 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2djb s LEU 12 N -3.59 5.27 -0.07 -1.84 2.01 -1.26 -5.00 118.68 114.19 2djb s LEU 12 Ca 0.49 -1.96 0.05 0.00 0.01 0.00 0.00 54.13 52.72 2djb s LEU 12 Cb 0.40 -2.36 -0.01 0.00 0.01 0.00 0.00 46.19 44.24 2djb s LEU 12 CO -0.01 -1.04 -0.23 0.42 1.01 0.00 0.00 176.35 176.50 2djb s THR 13 N 2.47 1.94 1.14 5.49 -4.23 -1.26 -5.14 115.64 116.05 2djb s THR 13 Ca 0.27 -0.99 -0.19 0.00 -1.18 0.00 0.00 61.69 59.60 2djb s THR 13 Cb -0.09 -1.66 0.28 0.00 1.34 0.00 0.00 72.50 72.37 2djb s THR 13 CO -0.06 0.54 1.01 -0.81 -0.54 0.00 0.00 174.62 174.76 2djb n PRO 14 N 3.18 -2.99 -0.82 3.99 -0.04 -1.26 -4.90 135.00 132.17 2djb n PRO 14 Ca -0.18 -1.61 -0.13 0.00 -0.04 0.00 0.00 63.50 61.53 2djb n PRO 14 Cb 0.52 -1.51 0.03 0.00 -0.04 0.00 0.00 33.50 32.50 2djb n PRO 14 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2djb n TYR 15 N -4.69 1.19 -0.05 0.54 4.02 -1.26 -4.05 117.16 112.86 2djb n TYR 15 Ca 0.14 -1.75 -0.07 0.00 -0.01 0.00 0.00 57.90 56.21 2djb n TYR 15 Cb 0.54 -0.86 -0.14 0.00 -0.02 0.00 0.00 39.34 38.86 2djb n TYR 15 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 2djb n ILE 16 N 0.63 1.36 -1.71 -0.72 2.08 -1.26 -4.96 119.36 114.78 2djb n ILE 16 Ca 0.24 -0.79 -0.29 0.00 0.56 0.00 0.00 62.75 62.46 2djb n ILE 16 Cb 0.56 -0.68 0.10 0.00 -0.75 0.00 0.00 39.64 38.87 2djb n ILE 16 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2djb s LEU 17 N -5.69 2.38 0.34 1.39 1.43 -1.26 -3.83 118.68 113.45 2djb s LEU 17 Ca -0.07 0.98 0.08 0.00 -1.03 0.00 0.00 54.13 54.09 2djb s LEU 17 Cb 0.08 -3.46 -0.04 0.00 0.03 0.00 0.00 46.19 42.80 2djb s LEU 17 CO 0.83 -2.09 0.19 0.00 0.23 0.00 0.00 176.35 175.51 2djb n SER 19 N -1.22 0.22 -0.09 0.00 2.88 -1.26 -3.02 113.62 111.13 2djb n SER 19 Ca -0.02 0.10 -0.12 0.00 -1.33 0.00 0.00 58.87 57.49 2djb n SER 19 Cb 0.61 1.04 -0.05 0.00 -0.75 0.00 0.00 64.21 65.06 2djb n SER 19 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2djb n ILE 20 N -2.66 1.47 0.19 2.46 5.41 -1.26 -4.45 119.36 120.52 2djb n ILE 20 Ca -0.20 0.09 0.10 0.00 1.00 0.00 0.00 62.75 63.74 2djb n ILE 20 Cb 0.93 -2.25 0.12 0.00 -0.71 0.00 0.00 39.64 37.74 2djb n ILE 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2djb n LYS 22 N -3.09 -2.84 0.00 0.00 4.01 -1.17 -4.92 118.16 110.15 2djb n LYS 22 Ca 0.03 0.98 0.00 0.00 -0.51 0.00 0.00 58.31 58.81 2djb n LYS 22 Cb 0.58 -5.72 0.00 0.00 -0.51 0.00 0.00 35.03 29.38 2djb n LYS 22 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2djb n GLY 23 N -1.20 4.66 3.76 0.72 0.00 -1.26 -4.68 105.19 107.19 2djb n GLY 23 Ca -0.20 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 2djb n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2djb s TYR 24 N -0.54 2.53 -0.19 1.61 2.02 -1.26 -1.38 117.35 120.13 2djb s TYR 24 Ca 0.00 1.46 -0.18 0.00 -0.37 0.00 0.00 57.07 57.97 2djb s TYR 24 Cb 0.00 -3.59 -0.03 0.00 -0.40 0.00 0.00 41.96 37.93 2djb s TYR 24 CO 0.00 -2.26 0.51 -0.51 -1.57 0.00 0.00 175.55 171.71 2djb s LEU 25 N -3.41 4.16 -0.06 -1.29 1.43 -1.25 -4.84 118.68 113.42 2djb s LEU 25 Ca 0.69 0.67 -0.03 0.00 -1.03 0.00 0.00 54.13 54.44 2djb s LEU 25 Cb -0.34 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 2djb s LEU 25 CO 0.41 -0.16 -0.06 0.40 0.23 0.00 0.00 176.35 177.17 2djb h ILE 26 N 5.09 0.00 -1.83 -0.59 5.03 -1.95 -3.42 117.51 119.83 2djb h ILE 26 Ca -0.34 -0.49 -0.64 0.00 -0.12 0.00 0.00 64.86 63.27 2djb h ILE 26 Cb 1.16 0.00 -0.38 0.00 -3.03 0.00 0.00 36.82 34.56 2djb h ILE 26 CO 0.74 0.00 -0.26 0.47 -0.68 0.00 0.00 178.15 178.42 2djb n ASP 27 N -3.38 5.36 -1.62 1.72 8.00 -1.26 -4.97 116.55 120.40 2djb n ASP 27 Ca -0.02 -3.73 -0.19 0.00 0.71 0.00 0.00 54.79 51.55 2djb n ASP 27 Cb 0.09 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 40.52 2djb n ASP 27 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2djb n ALA 28 N -0.41 -1.67 -3.81 2.24 0.00 -1.26 -1.43 120.51 114.17 2djb n ALA 28 Ca 0.40 0.19 -0.30 0.00 0.00 0.00 0.00 53.44 53.73 2djb n ALA 28 Cb 0.49 -0.61 -0.14 0.00 0.00 0.00 0.00 19.45 19.19 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 -0.21 1.49 0.24 0.00 2.01 0.66 -4.71 115.64 115.13 2djb s THR 29 Ca 0.28 -2.08 -0.30 0.00 0.31 0.00 0.00 61.69 59.90 2djb s THR 29 Cb -0.39 -2.09 -0.10 0.00 0.01 0.00 0.00 72.50 69.93 2djb s THR 29 CO 0.21 -0.72 1.39 -0.89 -0.69 0.00 0.00 174.62 173.91 2djb s THR 30 N 0.97 2.82 -0.65 -0.82 2.01 -1.25 -2.36 115.64 116.34 2djb s THR 30 Ca 0.13 0.70 0.01 0.00 0.31 0.00 0.00 61.69 62.84 2djb s THR 30 Cb -0.20 -3.45 0.16 0.00 0.01 0.00 0.00 72.50 69.02 2djb s THR 30 CO -0.12 0.12 0.45 -0.63 -0.69 0.00 0.00 174.62 173.74 2djb s ILE 31 N -0.10 3.25 0.27 1.82 1.01 0.20 -4.94 121.20 122.71 2djb s ILE 31 Ca 0.57 -3.55 0.20 0.00 0.00 0.00 0.00 60.65 57.87 2djb s ILE 31 Cb -0.40 -3.14 0.31 0.00 0.01 0.00 0.00 42.46 39.24 2djb s ILE 31 CO 0.43 -0.92 0.95 0.41 0.00 0.00 0.00 174.94 175.81 2djb n THR 32 N 2.80 -0.15 0.00 2.92 -1.04 -1.26 0.15 114.28 117.70 2djb n THR 32 Ca 0.12 1.10 -0.00 0.00 -2.04 0.00 0.00 64.05 63.22 2djb n THR 32 Cb 0.35 -1.80 -0.00 0.00 -1.82 0.00 0.00 70.33 67.06 2djb n THR 32 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2djb h GLU 33 N 0.00 -0.02 -0.59 -2.82 4.22 -1.95 -3.12 114.58 110.30 2djb h GLU 33 Ca 0.54 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.98 2djb h GLU 33 Cb 1.75 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.00 2djb h GLU 33 CO -0.28 -0.01 0.00 0.00 -2.18 0.00 0.00 179.01 176.54 2djb n LEU 35 N 1.15 -1.15 -4.94 0.00 7.99 0.40 -4.94 117.00 115.51 2djb n LEU 35 Ca 0.21 0.25 -0.24 0.00 -0.01 0.00 0.00 56.01 56.21 2djb n LEU 35 Cb 0.62 -2.18 0.03 0.00 -0.11 0.00 0.00 43.42 41.77 2djb n LEU 35 CO 0.15 -0.43 0.41 -1.00 -1.51 0.00 0.00 177.39 175.01 2djb s HIS 36 N -2.44 3.17 -0.01 -1.77 3.76 -1.22 -4.71 115.29 112.07 2djb s HIS 36 Ca 0.00 0.37 0.04 0.00 -0.15 0.00 0.00 55.06 55.32 2djb s HIS 36 Cb 0.00 -2.58 -0.01 0.00 1.11 0.00 0.00 32.58 31.10 2djb s HIS 36 CO 0.00 -0.66 -0.12 0.99 -0.85 0.00 0.00 174.74 174.10 2djb s THR 37 N -2.78 0.96 -0.07 1.30 2.01 -1.26 0.59 115.64 116.39 2djb s THR 37 Ca 0.52 -0.51 -0.18 0.00 0.31 0.00 0.00 61.69 61.83 2djb s THR 37 Cb -0.10 -0.81 0.04 0.00 0.01 0.00 0.00 72.50 71.64 2djb s THR 37 CO 0.41 0.28 0.43 -0.36 -0.69 0.00 0.00 174.62 174.68 2djb s PHE 38 N -0.20 -0.37 0.39 4.92 0.08 -1.00 -4.78 117.98 117.01 2djb s PHE 38 Ca 0.03 0.73 -0.26 0.00 0.12 0.00 0.00 56.93 57.55 2djb s PHE 38 Cb -0.06 0.18 -0.11 0.00 -0.57 0.00 0.00 43.02 42.47 2djb s PHE 38 CO -0.00 -0.39 1.17 0.00 -0.10 0.00 0.00 175.22 175.90 2djb n LYS 40 N 0.27 0.05 -0.07 0.00 3.00 -0.52 0.14 118.16 121.04 2djb n LYS 40 Ca 0.07 0.44 -0.21 0.00 -0.00 0.00 0.00 58.31 58.61 2djb n LYS 40 Cb 0.38 -1.64 -0.13 0.00 0.00 0.00 0.00 35.03 33.64 2djb n LYS 40 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2djb n SER 41 N -1.75 2.03 -0.01 3.14 3.41 -1.26 -3.74 113.62 115.44 2djb n SER 41 Ca 0.01 0.12 -0.17 0.00 -0.26 0.00 0.00 58.87 58.57 2djb n SER 41 Cb 0.09 -0.70 -0.14 0.00 -0.26 0.00 0.00 64.21 63.20 2djb n SER 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2djb h ILE 43 N -0.67 1.12 0.02 0.00 -0.00 -0.54 0.70 117.51 118.13 2djb h ILE 43 Ca -0.08 -0.41 -0.23 0.00 -0.00 0.00 0.00 64.86 64.13 2djb h ILE 43 Cb 1.34 -0.19 0.00 0.00 -0.00 0.00 0.00 36.82 37.98 2djb h ILE 43 CO 0.08 0.22 -0.98 0.58 -0.00 0.00 0.00 178.15 178.04 2djb h VAL 44 N 1.20 1.40 0.00 2.19 2.07 -1.67 -3.18 116.25 118.26 2djb h VAL 44 Ca 0.41 -2.49 -0.05 0.00 0.82 0.00 0.00 66.70 65.39 2djb h VAL 44 Cb 0.10 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2djb h VAL 44 CO -0.15 0.74 -0.24 0.03 0.02 0.00 0.00 177.57 177.98 2djb h ARG 45 N 0.22 0.00 -0.04 1.57 3.08 -0.74 -3.13 114.38 115.34 2djb h ARG 45 Ca -0.09 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.83 2djb h ARG 45 Cb 1.63 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.66 2djb h ARG 45 CO 0.17 0.24 -0.56 1.25 -1.07 0.00 0.00 179.97 180.00 2djb h HIS 46 N 0.00 0.16 0.00 3.04 2.76 0.40 -2.86 115.15 118.65 2djb h HIS 46 Ca -0.00 -0.06 -0.05 0.00 -2.20 0.00 0.00 60.37 58.06 2djb h HIS 46 Cb 1.01 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.93 2djb h HIS 46 CO 0.00 0.66 -0.25 0.74 -1.30 0.00 0.00 177.93 177.78 2djb h PHE 47 N 0.10 0.00 -0.46 5.26 0.04 -1.50 0.68 116.94 121.06 2djb h PHE 47 Ca -0.00 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.74 2djb h PHE 47 Cb 1.02 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.15 2djb h PHE 47 CO 0.01 0.25 0.17 1.88 -0.60 0.00 0.00 178.31 180.03 2djb h TYR 48 N 0.00 0.71 0.02 -0.55 0.05 -1.57 -3.27 116.97 112.35 2djb h TYR 48 Ca -0.00 -0.06 -0.39 0.00 0.05 0.00 0.00 58.73 58.33 2djb h TYR 48 Cb 0.81 -0.21 -0.06 0.00 1.01 0.00 0.00 36.73 38.28 2djb h TYR 48 CO 0.00 0.61 -2.42 0.66 -1.05 0.00 0.00 178.16 175.97 2djb n TYR 49 N -4.58 0.17 -3.85 4.88 4.02 -1.19 -4.87 117.16 111.74 2djb n TYR 49 Ca 0.01 0.04 -0.30 0.00 -0.01 0.00 0.00 57.90 57.64 2djb n TYR 49 Cb 0.16 -1.02 -0.15 0.00 -0.02 0.00 0.00 39.34 38.30 2djb n TYR 49 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2djb s SER 50 N -6.63 3.99 -0.02 7.72 0.01 0.24 -5.01 113.70 113.99 2djb s SER 50 Ca -0.34 -1.50 -0.05 0.00 1.31 0.00 0.00 55.95 55.38 2djb s SER 50 Cb 0.09 -1.07 -0.21 0.00 0.21 0.00 0.00 66.02 65.04 2djb s SER 50 CO 0.62 -0.34 2.94 -0.46 0.41 0.00 0.00 173.24 176.41 2djb n ASN 51 N 4.71 4.15 -3.67 2.44 6.94 -1.23 -3.17 115.26 125.42 2djb n ASN 51 Ca -0.05 -2.27 -0.12 0.00 -0.02 0.00 0.00 54.58 52.12 2djb n ASN 51 Cb 0.43 -1.12 -0.08 0.00 -2.36 0.00 0.00 39.78 36.65 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 1.46 0.65 0.08 -3.83 0.52 -1.26 -3.78 118.95 112.78 2djb s ARG 52 Ca 0.52 0.86 -0.35 0.00 -0.52 0.00 0.00 55.73 56.25 2djb s ARG 52 Cb 0.25 0.27 -0.14 0.00 0.52 0.00 0.00 34.95 35.84 2djb s ARG 52 CO -0.00 -0.10 1.59 0.00 0.02 0.00 0.00 175.30 176.81 2djb n PRO 54 N 3.89 0.49 -0.00 0.00 -0.04 -1.26 -0.02 135.00 138.06 2djb n PRO 54 Ca 0.19 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2djb n PRO 54 Cb 0.26 -1.17 -0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -0.67 0.00 0.08 0.54 4.81 -1.26 -4.81 118.16 116.85 2djb n LYS 55 Ca 0.04 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.56 2djb n LYS 55 Cb 0.02 -0.29 -0.03 0.00 0.02 0.00 0.00 35.03 34.75 2djb n LYS 55 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2djb n ASN 57 N -2.75 -2.18 -4.64 0.00 2.85 0.97 -4.99 115.26 104.51 2djb n ASN 57 Ca -0.03 -0.16 -0.33 0.00 -0.11 0.00 0.00 54.58 53.95 2djb n ASN 57 Cb 0.65 -1.67 -0.10 0.00 1.24 0.00 0.00 39.78 39.90 2djb n ASN 57 CO 0.00 0.00 0.00 0.27 -2.11 0.00 0.00 177.26 175.42 2djb s ILE 58 N -3.09 3.95 -0.90 -1.44 -4.36 -1.26 -4.74 121.20 109.37 2djb s ILE 58 Ca 0.02 -0.61 -0.25 0.00 -0.26 0.00 0.00 60.65 59.55 2djb s ILE 58 Cb -0.00 -2.72 -0.06 0.00 1.25 0.00 0.00 42.46 40.93 2djb s ILE 58 CO 0.18 0.43 1.99 -0.69 0.24 0.00 0.00 174.94 177.09 2djb s VAL 59 N -1.01 3.41 -0.17 8.37 1.01 -1.26 -1.79 120.40 128.97 2djb s VAL 59 Ca 0.17 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.67 2djb s VAL 59 Cb -0.11 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2djb s VAL 59 CO 0.08 -0.87 0.27 -0.69 0.00 0.00 0.00 175.10 173.89 2djb s VAL 60 N 10.51 5.32 -0.06 2.92 1.01 -1.25 -5.00 120.40 133.85 2djb s VAL 60 Ca 0.72 0.50 -0.06 0.00 0.00 0.00 0.00 61.98 63.14 2djb s VAL 60 Cb -0.07 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 2djb s VAL 60 CO 0.00 0.39 -0.12 1.57 0.00 0.00 0.00 175.10 176.95 2djb n HIS 61 N 3.58 0.00 -1.03 5.22 -0.00 -1.26 -4.75 115.22 116.99 2djb n HIS 61 Ca -0.12 0.00 -0.40 0.00 0.46 0.00 0.00 57.72 57.65 2djb n HIS 61 Cb 0.52 -0.17 -0.10 0.00 -0.12 0.00 0.00 29.99 30.12 2djb n HIS 61 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 2djb n GLN 62 N -3.18 0.00 0.00 1.57 7.27 -1.26 -4.73 117.38 117.05 2djb n GLN 62 Ca -0.05 0.00 0.14 0.00 0.07 0.00 0.00 57.00 57.17 2djb n GLN 62 Cb 0.18 -1.14 0.67 0.00 2.41 0.00 0.00 30.24 32.35 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 5.25 0.00 -3.55 1.69 5.66 -1.26 -4.86 114.28 117.21 2djb n THR 63 Ca 0.45 -0.01 -0.14 0.00 -3.05 0.00 0.00 64.05 61.31 2djb n THR 63 Cb -0.01 -0.42 -0.05 0.00 -1.55 0.00 0.00 70.33 68.29 2djb n THR 63 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2djb s GLN 64 N -2.75 0.82 0.00 1.09 1.03 -1.26 -4.93 119.66 113.66 2djb s GLN 64 Ca 0.22 0.19 0.00 0.00 0.04 0.00 0.00 55.36 55.81 2djb s GLN 64 Cb 0.20 0.39 0.00 0.00 0.03 0.00 0.00 33.01 33.62 2djb s GLN 64 CO 0.50 -0.26 0.00 -0.35 -2.54 0.00 0.00 175.29 172.64 2djb n PRO 65 N 0.79 0.00 -3.74 9.60 -0.04 -1.26 -4.99 135.00 135.36 2djb n PRO 65 Ca -0.14 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.18 2djb n PRO 65 Cb 0.58 -0.22 -0.14 0.00 -0.04 0.00 0.00 33.50 33.67 2djb n PRO 65 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2djb s LEU 66 N 0.00 0.66 -0.16 1.53 2.96 -1.26 -5.15 118.68 117.26 2djb s LEU 66 Ca 0.00 0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 54.23 2djb s LEU 66 Cb 0.00 0.48 -0.03 0.00 0.50 0.00 0.00 46.19 47.14 2djb s LEU 66 CO 0.00 -0.15 -0.01 -0.94 -1.32 0.00 0.00 176.35 173.93 2djb s SER 67 N 1.15 5.02 0.42 3.68 1.04 -1.26 -5.08 113.70 118.67 2djb s SER 67 Ca -0.09 -0.07 -0.26 0.00 0.48 0.00 0.00 55.95 56.01 2djb s SER 67 Cb -0.11 -1.83 -0.10 0.00 0.10 0.00 0.00 66.02 64.08 2djb s SER 67 CO -0.06 0.17 1.44 0.61 0.98 0.00 0.00 173.24 176.38 2djb n GLY 68 N 3.53 1.05 0.00 7.32 0.00 -1.26 -4.86 105.19 110.96 2djb n GLY 68 Ca -0.17 0.24 0.07 0.00 0.00 0.00 0.00 46.02 46.16 2djb n GLY 68 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2djb n PRO 69 N 0.09 0.27 -4.36 1.61 -0.04 -1.26 -4.68 135.00 126.63 2djb n PRO 69 Ca 0.04 0.11 -0.35 0.00 -0.04 0.00 0.00 63.50 63.26 2djb n PRO 69 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 2djb n PRO 69 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2djb s SER 70 N -2.45 5.21 1.03 3.54 1.04 -1.26 -5.10 113.70 115.71 2djb s SER 70 Ca 0.16 0.11 -0.13 0.00 0.48 0.00 0.00 55.95 56.57 2djb s SER 70 Cb 0.10 -1.53 0.15 0.00 0.10 0.00 0.00 66.02 64.84 2djb s SER 70 CO 0.22 0.34 0.73 -1.54 0.98 0.00 0.00 173.24 173.97 2djb n SER 71 N 2.37 -1.26 -0.19 7.02 3.41 -1.26 -5.18 113.62 118.53 2djb n SER 71 Ca -0.18 0.16 0.02 0.00 -0.26 0.00 0.00 58.87 58.61 2djb n SER 71 Cb 0.53 -1.27 0.02 0.00 -0.26 0.00 0.00 64.21 63.24 2djb n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49