#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 -0.34 -0.03 1.61 1.04 -1.26 -5.18 113.70 109.55 2djb s SER 2 Ca 0.00 0.61 -0.30 0.00 0.48 0.00 0.00 55.95 56.75 2djb s SER 2 Cb 0.00 0.76 0.08 0.00 0.10 0.00 0.00 66.02 66.96 2djb s SER 2 CO 0.00 -0.10 0.71 -0.94 0.98 0.00 0.00 173.24 173.88 2djb s SER 3 N 0.45 -0.61 0.00 7.02 1.04 -1.26 -5.15 113.70 115.19 2djb s SER 3 Ca 0.01 0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.99 2djb s SER 3 Cb -0.05 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.60 2djb s SER 3 CO -0.11 -0.64 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2djb n GLY 4 N 0.65 0.38 3.35 7.32 0.00 -1.26 -5.19 105.19 110.44 2djb n GLY 4 Ca -0.17 0.66 -0.12 0.00 0.00 0.00 0.00 46.02 46.38 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 -0.34 -0.29 1.61 1.04 -1.26 -5.17 113.70 109.28 2djb s SER 5 Ca 0.00 -0.04 -0.17 0.00 0.48 0.00 0.00 55.95 56.22 2djb s SER 5 Cb 0.00 0.47 0.18 0.00 0.10 0.00 0.00 66.02 66.78 2djb s SER 5 CO 0.00 -0.76 1.17 -0.94 0.98 0.00 0.00 173.24 173.68 2djb s SER 6 N -2.28 -0.23 -0.46 7.02 1.04 -1.26 -5.10 113.70 112.42 2djb s SER 6 Ca -0.02 0.38 0.07 0.00 0.48 0.00 0.00 55.95 56.85 2djb s SER 6 Cb 0.00 1.01 0.29 0.00 0.10 0.00 0.00 66.02 67.42 2djb s SER 6 CO -0.06 -0.06 0.95 0.61 0.98 0.00 0.00 173.24 175.66 2djb n GLY 7 N 3.15 0.80 3.32 7.32 0.00 -1.26 -5.10 105.19 113.42 2djb n GLY 7 Ca -0.17 -0.20 0.03 0.00 0.00 0.00 0.00 46.02 45.68 2djb n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2djb s ASN 8 N -1.53 -0.60 -0.10 1.61 3.84 -1.26 -5.18 114.94 111.72 2djb s ASN 8 Ca 0.28 0.67 -0.30 0.00 0.21 0.00 0.00 52.86 53.73 2djb s ASN 8 Cb 0.26 1.62 0.11 0.00 -0.55 0.00 0.00 41.25 42.69 2djb s ASN 8 CO -0.14 -0.11 0.90 -1.48 -2.79 0.00 0.00 177.10 173.48 2djb s LEU 9 N 2.58 -0.44 0.18 3.21 0.05 -1.26 -5.15 118.68 117.85 2djb s LEU 9 Ca -0.01 0.40 -0.30 0.00 0.05 0.00 0.00 54.13 54.28 2djb s LEU 9 Cb -0.07 2.06 -0.07 0.00 -2.05 0.00 0.00 46.19 46.05 2djb s LEU 9 CO -0.16 -0.46 0.93 -0.44 -0.55 0.00 0.00 176.35 175.67 2djb s SER 10 N -1.39 7.56 -0.60 1.48 0.01 -1.26 -5.02 113.70 114.48 2djb s SER 10 Ca -0.03 1.85 0.04 0.00 1.31 0.00 0.00 55.95 59.13 2djb s SER 10 Cb -0.00 -2.59 0.17 0.00 0.21 0.00 0.00 66.02 63.80 2djb s SER 10 CO 0.01 0.06 0.43 -0.70 0.41 0.00 0.00 173.24 173.46 2djb s GLU 11 N -0.65 1.92 0.16 12.44 2.56 -1.26 -5.08 118.70 128.79 2djb s GLU 11 Ca 0.43 -2.88 -0.09 0.00 0.00 0.00 0.00 54.97 52.43 2djb s GLU 11 Cb -0.25 -2.76 -0.01 0.00 2.00 0.00 0.00 34.13 33.12 2djb s GLU 11 CO 0.30 -1.30 0.28 -0.51 -0.56 0.00 0.00 175.26 173.47 2djb s LEU 12 N -0.87 0.97 0.33 2.70 1.43 -1.26 -5.15 118.68 116.83 2djb s LEU 12 Ca 0.27 -0.85 -0.28 0.00 -1.03 0.00 0.00 54.13 52.24 2djb s LEU 12 Cb -0.04 1.20 -0.09 0.00 0.03 0.00 0.00 46.19 47.29 2djb s LEU 12 CO -0.16 -0.89 1.15 0.28 0.23 0.00 0.00 176.35 176.96 2djb s THR 13 N -3.96 3.28 1.19 5.49 -1.32 -1.26 -5.03 115.64 114.03 2djb s THR 13 Ca 0.16 1.22 -0.19 0.00 -1.21 0.00 0.00 61.69 61.67 2djb s THR 13 Cb 0.03 -3.75 0.28 0.00 -1.51 0.00 0.00 72.50 67.56 2djb s THR 13 CO -0.01 0.24 1.11 -2.16 -2.21 0.00 0.00 174.62 171.59 2djb s PRO 14 N -1.78 -1.13 0.00 7.08 0.04 -1.26 -5.06 135.00 132.88 2djb s PRO 14 Ca 0.49 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.50 2djb s PRO 14 Cb -0.32 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.61 2djb s PRO 14 CO 0.42 -3.66 0.00 0.66 0.04 0.00 0.00 177.00 174.46 2djb n TYR 15 N -4.73 0.00 -3.66 0.56 4.01 -1.26 -5.04 117.16 107.03 2djb n TYR 15 Ca 0.13 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.57 2djb n TYR 15 Cb 0.59 0.03 -0.15 0.00 -0.31 0.00 0.00 39.34 39.50 2djb n TYR 15 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2djb s ILE 16 N -0.69 0.56 0.38 -0.72 1.01 -1.26 -5.11 121.20 115.37 2djb s ILE 16 Ca 0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 60.65 59.35 2djb s ILE 16 Cb 0.00 -1.43 0.04 0.00 0.01 0.00 0.00 42.46 41.07 2djb s ILE 16 CO 0.00 -0.70 0.66 0.18 0.00 0.00 0.00 174.94 175.07 2djb n LEU 17 N 4.94 0.00 -4.71 2.97 4.77 -1.26 -4.68 117.00 119.03 2djb n LEU 17 Ca -0.03 -2.76 -0.24 0.00 -0.03 0.00 0.00 56.01 52.95 2djb n LEU 17 Cb 0.42 3.27 -0.07 0.00 -2.33 0.00 0.00 43.42 44.71 2djb n LEU 17 CO 0.09 -0.77 -0.20 0.00 -1.33 0.00 0.00 177.39 175.18 2djb n SER 19 N -1.15 2.10 -0.08 0.00 2.88 -1.26 -3.57 113.62 112.54 2djb n SER 19 Ca -0.02 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.42 2djb n SER 19 Cb 0.63 0.90 -0.05 0.00 -0.75 0.00 0.00 64.21 64.94 2djb n SER 19 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2djb h ILE 20 N 0.00 0.46 0.00 2.46 2.04 -1.95 -3.40 117.51 117.12 2djb h ILE 20 Ca -0.27 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.06 2djb h ILE 20 Cb 1.57 1.02 -0.01 0.00 -0.74 0.00 0.00 36.82 38.66 2djb h ILE 20 CO 0.01 0.16 -1.33 0.00 0.00 0.00 0.00 178.15 176.99 2djb n LYS 22 N -2.60 -7.39 -4.17 0.00 4.76 -1.23 -4.97 118.16 102.55 2djb n LYS 22 Ca -0.03 0.78 -0.11 0.00 -2.87 0.00 0.00 58.31 56.08 2djb n LYS 22 Cb 0.60 -5.66 -0.10 0.00 -1.84 0.00 0.00 35.03 28.03 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 -3.37 0.78 0.04 0.72 0.00 -1.26 -4.64 107.32 99.59 2djb s GLY 23 Ca 0.51 -1.36 -0.38 0.00 0.00 0.00 0.00 44.72 43.49 2djb s GLY 23 CO 0.68 -1.46 1.09 -1.72 0.00 0.00 0.00 173.10 171.69 2djb n TYR 24 N -0.05 0.77 -2.35 1.90 4.02 -1.26 -3.17 117.16 117.01 2djb n TYR 24 Ca -0.12 0.95 -0.43 0.00 -0.01 0.00 0.00 57.90 58.29 2djb n TYR 24 Cb 0.61 -2.14 -0.02 0.00 -0.02 0.00 0.00 39.34 37.77 2djb n TYR 24 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2djb s LEU 25 N 0.36 3.85 -0.02 7.72 1.43 -1.26 -4.93 118.68 125.83 2djb s LEU 25 Ca 0.87 1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 55.20 2djb s LEU 25 Cb -1.16 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.51 2djb s LEU 25 CO 0.55 -1.15 0.25 0.40 0.23 0.00 0.00 176.35 176.63 2djb h ILE 26 N 6.05 0.00 -0.10 -0.59 1.08 -1.97 -3.39 117.51 118.59 2djb h ILE 26 Ca -0.28 -0.19 -0.18 0.00 -0.39 0.00 0.00 64.86 63.82 2djb h ILE 26 Cb 1.11 0.00 0.01 0.00 -3.07 0.00 0.00 36.82 34.87 2djb h ILE 26 CO 1.03 0.00 -0.65 -0.78 -0.69 0.00 0.00 178.15 177.06 2djb h ASP 27 N -0.26 0.75 -3.02 1.72 1.82 -1.92 -3.49 116.42 112.02 2djb h ASP 27 Ca -0.01 -0.66 -0.09 0.00 -0.39 0.00 0.00 57.03 55.89 2djb h ASP 27 Cb 0.06 -0.22 0.05 0.00 0.68 0.00 0.00 39.33 39.89 2djb h ASP 27 CO 0.01 1.29 -0.21 0.00 -1.61 0.00 0.00 179.24 178.72 2djb n ALA 28 N -2.58 -0.57 -2.61 -0.78 0.00 -1.26 -4.95 120.51 107.77 2djb n ALA 28 Ca -0.08 -0.01 -0.42 0.00 0.00 0.00 0.00 53.44 52.93 2djb n ALA 28 Cb 0.68 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 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 -3.10 3.94 -0.26 0.00 2.01 0.61 -4.85 115.64 114.00 2djb s THR 29 Ca 0.00 0.43 -0.13 0.00 0.31 0.00 0.00 61.69 62.31 2djb s THR 29 Cb -0.00 -4.80 -0.05 0.00 0.01 0.00 0.00 72.50 67.66 2djb s THR 29 CO 0.20 -1.60 0.26 -0.89 -0.69 0.00 0.00 174.62 171.90 2djb s THR 30 N 5.14 5.27 0.89 -0.82 2.01 -1.26 -0.15 115.64 126.72 2djb s THR 30 Ca 0.35 0.34 -0.11 0.00 0.31 0.00 0.00 61.69 62.58 2djb s THR 30 Cb -0.09 -3.59 0.13 0.00 0.01 0.00 0.00 72.50 68.95 2djb s THR 30 CO 0.18 0.24 1.10 -0.63 -0.69 0.00 0.00 174.62 174.81 2djb s ILE 31 N 1.66 2.66 -0.20 1.82 1.01 0.16 -4.87 121.20 123.44 2djb s ILE 31 Ca 0.11 0.21 0.08 0.00 0.00 0.00 0.00 60.65 61.05 2djb s ILE 31 Cb -0.15 -2.56 -0.17 0.00 0.01 0.00 0.00 42.46 39.58 2djb s ILE 31 CO 0.09 -0.28 -0.08 0.41 0.00 0.00 0.00 174.94 175.08 2djb n THR 32 N -3.96 1.22 0.14 2.92 -1.04 -1.26 -3.25 114.28 109.05 2djb n THR 32 Ca 0.08 -0.59 -0.16 0.00 -2.04 0.00 0.00 64.05 61.34 2djb n THR 32 Cb 0.54 -0.95 -0.10 0.00 -1.82 0.00 0.00 70.33 68.00 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 -0.75 -0.37 -2.82 4.81 -1.97 -3.01 114.58 110.46 2djb h GLU 33 Ca -0.48 0.05 -0.18 0.00 -0.13 0.00 0.00 59.36 58.62 2djb h GLU 33 Cb 1.89 0.17 -0.11 0.00 0.63 0.00 0.00 28.75 31.33 2djb h GLU 33 CO -0.03 -0.50 -0.05 0.00 -0.73 0.00 0.00 179.01 177.70 2djb n LEU 35 N -1.09 -0.35 -4.64 0.00 4.77 -1.14 -4.85 117.00 109.70 2djb n LEU 35 Ca 0.34 -0.52 -0.34 0.00 -0.03 0.00 0.00 56.01 55.46 2djb n LEU 35 Cb 1.05 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 2djb n LEU 35 CO 0.20 0.20 -0.34 -1.00 -1.33 0.00 0.00 177.39 175.13 2djb s HIS 36 N -3.64 3.06 0.08 -1.77 3.76 -1.22 -4.87 115.29 110.69 2djb s HIS 36 Ca 0.02 0.11 -0.24 0.00 -0.15 0.00 0.00 55.06 54.80 2djb s HIS 36 Cb -0.01 -1.74 -0.06 0.00 1.11 0.00 0.00 32.58 31.87 2djb s HIS 36 CO 0.40 0.41 0.74 0.99 -0.85 0.00 0.00 174.74 176.44 2djb s THR 37 N -0.88 4.62 -0.15 1.30 2.01 -1.26 0.36 115.64 121.64 2djb s THR 37 Ca 0.14 1.60 -0.16 0.00 0.31 0.00 0.00 61.69 63.57 2djb s THR 37 Cb -0.11 -4.09 0.04 0.00 0.01 0.00 0.00 72.50 68.35 2djb s THR 37 CO 0.03 0.43 0.45 -0.36 -0.69 0.00 0.00 174.62 174.48 2djb s PHE 38 N -0.49 -0.48 0.67 4.92 0.08 0.78 -4.80 117.98 118.66 2djb s PHE 38 Ca 0.36 1.14 -0.14 0.00 0.12 0.00 0.00 56.93 58.41 2djb s PHE 38 Cb -0.21 0.17 0.01 0.00 -0.57 0.00 0.00 43.02 42.42 2djb s PHE 38 CO 0.23 -0.27 1.11 0.00 -0.10 0.00 0.00 175.22 176.20 2djb h LYS 40 N -0.13 0.60 -0.00 0.00 1.63 -1.92 0.29 116.57 117.04 2djb h LYS 40 Ca -0.46 -0.22 0.00 0.00 -0.85 0.00 0.00 60.65 59.12 2djb h LYS 40 Cb 1.24 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 2djb h LYS 40 CO 0.54 0.76 -0.16 0.43 -3.45 0.00 0.00 179.45 177.57 2djb n SER 41 N -4.14 0.21 -0.12 4.20 7.64 -1.26 -2.44 113.62 117.71 2djb n SER 41 Ca 0.00 0.10 -0.23 0.00 1.01 0.00 0.00 58.87 59.74 2djb n SER 41 Cb 0.39 -0.21 -0.08 0.00 -1.01 0.00 0.00 64.21 63.30 2djb n SER 41 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2djb h ILE 43 N -1.00 1.26 -0.47 0.00 6.09 -0.59 0.64 117.51 123.44 2djb h ILE 43 Ca -0.49 -1.09 -0.12 0.00 -1.37 0.00 0.00 64.86 61.80 2djb h ILE 43 Cb 1.42 0.88 -0.02 0.00 0.47 0.00 0.00 36.82 39.57 2djb h ILE 43 CO -0.30 0.39 -0.17 0.58 -3.07 0.00 0.00 178.15 175.59 2djb h VAL 44 N 0.84 1.27 0.10 2.19 2.07 -1.65 -2.17 116.25 118.90 2djb h VAL 44 Ca 0.16 -1.30 -0.26 0.00 0.82 0.00 0.00 66.70 66.11 2djb h VAL 44 Cb 0.51 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 2djb h VAL 44 CO 0.02 0.45 -1.18 0.03 0.02 0.00 0.00 177.57 176.92 2djb h ARG 45 N 0.80 0.29 -0.18 1.57 -0.00 -1.61 -3.23 114.38 112.03 2djb h ARG 45 Ca 0.12 -0.45 -0.05 0.00 -0.50 0.00 0.00 59.98 59.10 2djb h ARG 45 Cb 0.71 0.16 -0.01 0.00 0.00 0.00 0.00 29.97 30.83 2djb h ARG 45 CO 0.05 1.19 -0.12 1.25 0.00 0.00 0.00 179.97 182.34 2djb h HIS 46 N 0.10 0.29 0.00 3.04 2.76 0.36 -2.03 115.15 119.67 2djb h HIS 46 Ca -0.12 -0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 57.94 2djb h HIS 46 Cb 1.89 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 30.75 2djb h HIS 46 CO 0.06 0.40 -0.35 0.74 -1.30 0.00 0.00 177.93 177.49 2djb h PHE 47 N 0.27 0.00 -0.28 5.26 0.04 -1.40 0.30 116.94 121.13 2djb h PHE 47 Ca 0.05 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.72 2djb h PHE 47 Cb 0.39 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.52 2djb h PHE 47 CO 0.01 0.35 -0.24 1.88 -0.60 0.00 0.00 178.31 179.70 2djb h TYR 48 N 0.00 0.61 0.03 -0.55 0.05 -1.38 -3.31 116.97 112.42 2djb h TYR 48 Ca -0.00 -0.13 -0.38 0.00 0.05 0.00 0.00 58.73 58.26 2djb h TYR 48 Cb 0.91 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 38.45 2djb h TYR 48 CO 0.00 0.75 -2.25 0.66 -1.05 0.00 0.00 178.16 176.26 2djb n TYR 49 N -4.12 0.41 -3.80 4.88 4.01 -1.15 -4.93 117.16 112.46 2djb n TYR 49 Ca -0.00 0.11 -0.23 0.00 -0.16 0.00 0.00 57.90 57.62 2djb n TYR 49 Cb 0.41 -1.05 -0.17 0.00 -0.31 0.00 0.00 39.34 38.22 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 -6.89 1.61 -0.01 7.72 0.15 0.10 -5.02 113.70 111.35 2djb s SER 50 Ca -0.32 -0.10 -0.02 0.00 0.70 0.00 0.00 55.95 56.21 2djb s SER 50 Cb 0.09 -0.48 -0.06 0.00 -1.71 0.00 0.00 66.02 63.87 2djb s SER 50 CO 0.62 -0.18 2.42 -3.20 1.20 0.00 0.00 173.24 174.09 2djb n ASN 51 N 5.08 5.37 -4.15 5.45 2.85 -1.25 -3.37 115.26 125.24 2djb n ASN 51 Ca -0.08 -2.46 -0.10 0.00 -0.11 0.00 0.00 54.58 51.83 2djb n ASN 51 Cb 0.50 -1.20 -0.10 0.00 1.24 0.00 0.00 39.78 40.22 2djb n ASN 51 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 2djb s ARG 52 N 0.18 0.91 -0.11 1.20 0.52 -1.26 -2.77 118.95 117.62 2djb s ARG 52 Ca 0.18 -1.43 -0.24 0.00 -0.52 0.00 0.00 55.73 53.73 2djb s ARG 52 Cb 0.09 0.22 -0.03 0.00 0.52 0.00 0.00 34.95 35.75 2djb s ARG 52 CO -0.00 -0.24 0.75 0.00 0.02 0.00 0.00 175.30 175.83 2djb n PRO 54 N 4.36 0.49 -0.01 0.00 -0.04 -1.26 0.43 135.00 138.97 2djb n PRO 54 Ca 0.01 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.46 2djb n PRO 54 Cb 0.50 -1.08 -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 1.63 -0.04 0.00 0.00 175.50 177.09 2djb n LYS 55 N -0.58 0.08 0.02 0.54 4.76 -1.26 -4.80 118.16 116.92 2djb n LYS 55 Ca 0.02 0.03 0.11 0.00 -2.87 0.00 0.00 58.31 55.60 2djb n LYS 55 Cb 0.01 -0.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.73 2djb n LYS 55 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2djb n ASN 57 N -1.90 -3.32 -4.72 0.00 5.15 0.17 -4.97 115.26 105.67 2djb n ASN 57 Ca 0.02 -0.27 -0.34 0.00 -0.60 0.00 0.00 54.58 53.39 2djb n ASN 57 Cb 0.43 -2.64 -0.09 0.00 -0.53 0.00 0.00 39.78 36.95 2djb n ASN 57 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 2djb s ILE 58 N -3.16 4.48 -0.67 -1.44 -4.36 -1.25 -4.67 121.20 110.14 2djb s ILE 58 Ca 0.18 -0.30 -0.26 0.00 -0.26 0.00 0.00 60.65 60.00 2djb s ILE 58 Cb -0.08 -2.95 -0.03 0.00 1.25 0.00 0.00 42.46 40.66 2djb s ILE 58 CO 0.34 0.51 1.87 -0.69 0.24 0.00 0.00 174.94 177.22 2djb s VAL 59 N -1.00 3.37 -0.24 8.37 1.01 -1.26 -0.61 120.40 130.05 2djb s VAL 59 Ca 0.17 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 2djb s VAL 59 Cb -0.12 -3.96 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 2djb s VAL 59 CO 0.06 -0.93 0.18 -0.69 0.00 0.00 0.00 175.10 173.72 2djb s VAL 60 N 9.23 5.35 0.10 2.92 1.01 -1.11 -4.98 120.40 132.92 2djb s VAL 60 Ca 0.67 0.22 -0.10 0.00 0.00 0.00 0.00 61.98 62.77 2djb s VAL 60 Cb -0.11 -3.52 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 2djb s VAL 60 CO 0.17 0.34 0.42 -2.28 0.00 0.00 0.00 175.10 173.74 2djb s HIS 61 N 1.07 3.56 0.03 5.22 2.46 -1.26 -4.68 115.29 121.69 2djb s HIS 61 Ca 0.08 0.79 0.03 0.00 0.47 0.00 0.00 55.06 56.43 2djb s HIS 61 Cb -0.14 -2.16 -0.04 0.00 -0.13 0.00 0.00 32.58 30.11 2djb s HIS 61 CO 0.05 0.49 -0.01 -1.14 -2.47 0.00 0.00 174.74 171.66 2djb s GLN 62 N -2.04 2.67 -0.17 2.88 2.00 -1.26 -5.11 119.66 118.63 2djb s GLN 62 Ca 0.35 -0.71 -0.00 0.00 -2.00 0.00 0.00 55.36 53.00 2djb s GLN 62 Cb -0.14 -2.60 0.04 0.00 0.80 0.00 0.00 33.01 31.11 2djb s GLN 62 CO 0.19 0.59 -0.06 0.95 -0.50 0.00 0.00 175.29 176.46 2djb s THR 63 N -1.16 1.16 -0.23 -0.34 -4.23 -1.26 -5.11 115.64 104.47 2djb s THR 63 Ca 0.22 -0.67 -0.22 0.00 -1.18 0.00 0.00 61.69 59.83 2djb s THR 63 Cb -0.12 -1.33 -0.02 0.00 1.34 0.00 0.00 72.50 72.38 2djb s THR 63 CO 0.13 0.12 0.69 -1.10 -0.54 0.00 0.00 174.62 173.92 2djb s GLN 64 N 1.61 4.17 0.00 3.99 1.11 -1.26 -4.93 119.66 124.36 2djb s GLN 64 Ca 0.00 0.69 0.15 0.00 0.01 0.00 0.00 55.36 56.21 2djb s GLN 64 Cb -0.15 -3.62 0.80 0.00 -1.01 0.00 0.00 33.01 29.02 2djb s GLN 64 CO -0.08 -0.38 1.39 -0.35 0.01 0.00 0.00 175.29 175.89 2djb n PRO 65 N 5.54 0.29 -0.01 2.91 -0.04 -1.26 -3.65 135.00 138.78 2djb n PRO 65 Ca 0.01 0.11 -0.04 0.00 -0.04 0.00 0.00 63.50 63.53 2djb n PRO 65 Cb 0.49 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 2djb n PRO 65 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2djb n LEU 66 N -1.21 0.87 -2.22 1.53 7.99 -1.26 -5.05 117.00 117.65 2djb n LEU 66 Ca 0.08 0.13 -0.13 0.00 -0.01 0.00 0.00 56.01 56.09 2djb n LEU 66 Cb 0.10 -0.31 0.04 0.00 -0.11 0.00 0.00 43.42 43.15 2djb n LEU 66 CO 0.11 -0.25 0.13 -0.24 -1.51 0.00 0.00 177.39 175.62 2djb n SER 67 N -3.50 -4.09 0.00 -1.43 2.88 -1.24 -4.95 113.62 101.30 2djb n SER 67 Ca -0.08 -0.30 0.00 0.00 -1.33 0.00 0.00 58.87 57.16 2djb n SER 67 Cb 0.36 -3.00 0.00 0.00 -0.75 0.00 0.00 64.21 60.82 2djb n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djb n GLY 68 N -1.30 -1.86 3.77 0.46 0.00 -1.26 -5.16 105.19 99.84 2djb n GLY 68 Ca -0.02 0.87 -0.34 0.00 0.00 0.00 0.00 46.02 46.53 2djb n GLY 68 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2djb s PRO 69 N 0.00 3.09 -0.29 1.61 0.04 -1.26 -4.99 135.00 133.19 2djb s PRO 69 Ca 0.00 1.51 0.15 0.00 0.04 0.00 0.00 61.00 62.70 2djb s PRO 69 Cb 0.00 -1.98 0.48 0.00 0.04 0.00 0.00 34.50 33.04 2djb s PRO 69 CO 0.00 -1.04 1.12 0.43 0.04 0.00 0.00 177.00 177.55 2djb n SER 70 N -1.84 3.06 -4.19 6.66 7.64 -1.26 -5.11 113.62 118.59 2djb n SER 70 Ca 0.11 -2.88 -0.37 0.00 1.01 0.00 0.00 58.87 56.74 2djb n SER 70 Cb 0.51 -0.43 0.04 0.00 -1.01 0.00 0.00 64.21 63.32 2djb n SER 70 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2djb n SER 71 N -0.57 -4.18 -0.85 6.43 3.41 -1.26 -5.35 113.62 111.26 2djb n SER 71 Ca 0.24 0.41 0.11 0.00 -0.26 0.00 0.00 58.87 59.36 2djb n SER 71 Cb 0.85 -0.90 0.09 0.00 -0.26 0.00 0.00 64.21 63.99 2djb n SER 71 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49