#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 -0.24 0.00 1.61 0.01 -1.26 -5.06 113.70 108.76 2djb s SER 2 Ca 0.00 0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.39 2djb s SER 2 Cb 0.00 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.46 2djb s SER 2 CO 0.00 -0.32 0.00 -1.54 0.41 0.00 0.00 173.24 171.79 2djb n SER 3 N 0.23 3.98 -2.03 2.44 3.41 -1.26 -5.11 113.62 115.28 2djb n SER 3 Ca -0.05 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.53 2djb n SER 3 Cb 0.59 0.67 -0.02 0.00 -0.26 0.00 0.00 64.21 65.18 2djb n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2djb n GLY 4 N 2.15 -4.06 3.62 5.00 0.00 -1.26 -5.09 105.19 105.56 2djb n GLY 4 Ca 0.00 0.65 -0.01 0.00 0.00 0.00 0.00 46.02 46.66 2djb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2djb s SER 5 N -0.36 -1.06 -0.14 1.61 0.15 -1.26 -5.07 113.70 107.56 2djb s SER 5 Ca -0.13 1.48 -0.10 0.00 0.70 0.00 0.00 55.95 57.90 2djb s SER 5 Cb 0.01 2.14 -0.06 0.00 -1.71 0.00 0.00 66.02 66.41 2djb s SER 5 CO 0.39 -0.21 -0.06 0.28 1.20 0.00 0.00 173.24 174.84 2djb h SER 6 N 7.83 0.00 -5.93 5.45 0.02 -2.09 -3.50 113.55 115.34 2djb h SER 6 Ca -0.19 -0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.63 2djb h SER 6 Cb 1.11 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.66 2djb h SER 6 CO 0.10 0.82 -1.00 0.61 -1.14 0.00 0.00 176.83 176.23 2djb n GLY 7 N 1.62 -1.51 2.59 -3.77 0.00 -1.26 -4.98 105.19 97.88 2djb n GLY 7 Ca -0.10 0.27 -0.27 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.30 2.73 -0.30 1.61 2.47 -1.26 -5.04 114.94 113.86 2djb s ASN 8 Ca 0.03 -3.34 -0.15 0.00 0.42 0.00 0.00 52.86 49.82 2djb s ASN 8 Cb -0.00 -0.89 0.18 0.00 -1.45 0.00 0.00 41.25 39.08 2djb s ASN 8 CO 0.35 -0.14 1.11 -0.22 -3.72 0.00 0.00 177.10 174.48 2djb s LEU 9 N -0.48 -0.34 -0.58 3.21 2.96 -1.26 -5.11 118.68 117.08 2djb s LEU 9 Ca 0.29 0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.53 2djb s LEU 9 Cb -0.00 1.31 0.15 0.00 0.50 0.00 0.00 46.19 48.16 2djb s LEU 9 CO -0.18 -0.06 0.36 -0.94 -1.32 0.00 0.00 176.35 174.21 2djb s SER 10 N 2.76 4.17 -0.47 3.68 1.04 -1.26 -5.05 113.70 118.57 2djb s SER 10 Ca -0.03 -3.32 -0.10 0.00 0.48 0.00 0.00 55.95 52.98 2djb s SER 10 Cb -0.08 -1.43 0.11 0.00 0.10 0.00 0.00 66.02 64.72 2djb s SER 10 CO -0.12 -0.17 0.35 -1.61 0.98 0.00 0.00 173.24 172.67 2djb s GLU 11 N -0.65 2.59 -0.29 4.02 2.02 -1.26 -4.91 118.70 120.21 2djb s GLU 11 Ca 0.22 -1.67 0.12 0.00 0.02 0.00 0.00 54.97 53.65 2djb s GLU 11 Cb -0.14 -3.95 0.47 0.00 0.10 0.00 0.00 34.13 30.62 2djb s GLU 11 CO -0.09 -1.15 1.16 1.28 0.02 0.00 0.00 175.26 176.48 2djb n LEU 12 N 4.96 3.91 -3.69 1.80 7.99 -1.26 -5.01 117.00 125.70 2djb n LEU 12 Ca -0.09 -4.27 -0.15 0.00 -0.01 0.00 0.00 56.01 51.49 2djb n LEU 12 Cb 0.41 -0.10 -0.15 0.00 -0.11 0.00 0.00 43.42 43.48 2djb n LEU 12 CO 0.44 1.80 -0.20 0.42 -1.51 0.00 0.00 177.39 178.34 2djb s THR 13 N -4.39 -0.24 0.32 -5.08 -4.23 -1.26 -5.14 115.64 95.61 2djb s THR 13 Ca 0.44 0.28 -0.28 0.00 -1.18 0.00 0.00 61.69 60.95 2djb s THR 13 Cb 0.39 -0.33 -0.10 0.00 1.34 0.00 0.00 72.50 73.80 2djb s THR 13 CO 0.01 0.12 1.22 -2.16 -0.54 0.00 0.00 174.62 173.27 2djb s PRO 14 N 2.02 4.40 0.22 3.99 0.04 -1.26 -4.95 135.00 139.46 2djb s PRO 14 Ca -0.01 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 62.75 2djb s PRO 14 Cb -0.12 -3.06 -0.13 0.00 0.04 0.00 0.00 34.50 31.24 2djb s PRO 14 CO -0.07 -0.08 1.53 0.98 0.04 0.00 0.00 177.00 179.40 2djb n TYR 15 N 0.82 2.37 0.00 0.56 9.36 -1.26 -4.87 117.16 124.14 2djb n TYR 15 Ca 0.00 0.31 0.00 0.00 3.32 0.00 0.00 57.90 61.53 2djb n TYR 15 Cb 0.43 -2.53 0.00 0.00 -0.63 0.00 0.00 39.34 36.61 2djb n TYR 15 CO 0.00 0.00 0.00 -0.89 0.22 0.00 0.00 176.86 176.19 2djb n ILE 16 N 2.69 0.00 -0.73 2.97 5.41 -1.26 -5.08 119.36 123.36 2djb n ILE 16 Ca 0.13 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.60 2djb n ILE 16 Cb 0.32 -0.59 0.21 0.00 -0.71 0.00 0.00 39.64 38.87 2djb n ILE 16 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2djb s LEU 17 N -3.39 1.43 0.47 1.39 1.43 -1.26 -3.79 118.68 114.96 2djb s LEU 17 Ca 0.00 1.59 0.06 0.00 -1.03 0.00 0.00 54.13 54.74 2djb s LEU 17 Cb 0.00 -3.67 0.02 0.00 0.03 0.00 0.00 46.19 42.57 2djb s LEU 17 CO 0.00 -3.71 0.65 0.00 0.23 0.00 0.00 176.35 173.52 2djb n SER 19 N -2.03 2.03 -0.11 0.00 7.64 -1.26 -3.41 113.62 116.48 2djb n SER 19 Ca 0.08 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.73 2djb n SER 19 Cb 0.59 1.01 -0.11 0.00 -1.01 0.00 0.00 64.21 64.69 2djb n SER 19 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2djb n ILE 20 N -2.32 1.54 0.80 0.44 5.41 -1.26 -4.51 119.36 119.46 2djb n ILE 20 Ca -0.15 -0.13 0.09 0.00 1.00 0.00 0.00 62.75 63.56 2djb n ILE 20 Cb 0.75 -1.99 -0.11 0.00 -0.71 0.00 0.00 39.64 37.57 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 -1.50 -2.33 -3.84 0.00 4.01 -1.22 -4.91 118.16 108.38 2djb n LYS 22 Ca 0.03 0.40 -0.11 0.00 -0.51 0.00 0.00 58.31 58.12 2djb n LYS 22 Cb 0.30 -4.24 -0.08 0.00 -0.51 0.00 0.00 35.03 30.50 2djb n LYS 22 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 2djb s GLY 23 N -3.98 0.01 0.14 0.72 0.00 -1.26 -4.60 107.32 98.35 2djb s GLY 23 Ca 0.21 -0.21 -0.22 0.00 0.00 0.00 0.00 44.72 44.50 2djb s GLY 23 CO 0.88 -0.38 0.42 -1.72 0.00 0.00 0.00 173.10 172.31 2djb n TYR 24 N 0.81 -0.32 -2.92 1.90 4.02 -1.26 -3.31 117.16 116.08 2djb n TYR 24 Ca -0.19 0.74 -0.40 0.00 -0.01 0.00 0.00 57.90 58.04 2djb n TYR 24 Cb 0.58 -1.50 -0.06 0.00 -0.02 0.00 0.00 39.34 38.35 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 2.13 4.57 -0.18 7.72 1.43 -1.25 -4.91 118.68 128.20 2djb s LEU 25 Ca 0.50 1.68 -0.18 0.00 -1.03 0.00 0.00 54.13 55.10 2djb s LEU 25 Cb -0.72 -3.36 -0.06 0.00 0.03 0.00 0.00 46.19 42.07 2djb s LEU 25 CO 0.43 0.15 -0.34 -0.38 0.23 0.00 0.00 176.35 176.43 2djb n ILE 26 N 1.88 1.50 0.07 -0.59 -0.00 -1.26 -4.70 119.36 116.25 2djb n ILE 26 Ca -0.04 0.14 -0.15 0.00 -0.00 0.00 0.00 62.75 62.70 2djb n ILE 26 Cb 0.49 -2.33 -0.14 0.00 -0.00 0.00 0.00 39.64 37.65 2djb n ILE 26 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 2djb h ASP 27 N -0.98 0.33 -4.93 4.38 1.82 -1.95 -3.49 116.42 111.61 2djb h ASP 27 Ca -0.01 -0.42 -0.24 0.00 -0.39 0.00 0.00 57.03 55.98 2djb h ASP 27 Cb 0.99 -0.11 0.14 0.00 0.68 0.00 0.00 39.33 41.04 2djb h ASP 27 CO -0.00 1.34 -0.64 0.00 -1.61 0.00 0.00 179.24 178.33 2djb n ALA 28 N -2.58 -1.79 -2.30 -0.78 0.00 -1.26 -4.95 120.51 106.84 2djb n ALA 28 Ca -0.12 0.01 -0.41 0.00 0.00 0.00 0.00 53.44 52.92 2djb n ALA 28 Cb 1.03 -3.06 -0.04 0.00 0.00 0.00 0.00 19.45 17.37 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 -3.30 4.46 0.06 0.00 2.01 -1.24 -4.90 115.64 112.72 2djb s THR 29 Ca 0.14 2.00 0.09 0.00 0.31 0.00 0.00 61.69 64.23 2djb s THR 29 Cb -0.02 -4.28 -0.03 0.00 0.01 0.00 0.00 72.50 68.18 2djb s THR 29 CO 0.58 0.29 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.67 2djb s THR 30 N 0.13 2.32 -0.96 -0.82 2.01 -1.26 -0.07 115.64 116.99 2djb s THR 30 Ca 0.48 -1.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.05 2djb s THR 30 Cb -0.24 -1.94 0.24 0.00 0.01 0.00 0.00 72.50 70.57 2djb s THR 30 CO 0.30 0.32 0.89 -0.63 -0.69 0.00 0.00 174.62 174.81 2djb s ILE 31 N -0.87 4.93 0.33 1.82 1.01 0.18 -4.91 121.20 123.69 2djb s ILE 31 Ca 0.13 -3.68 0.27 0.00 0.00 0.00 0.00 60.65 57.37 2djb s ILE 31 Cb -0.10 -4.02 0.41 0.00 0.01 0.00 0.00 42.46 38.76 2djb s ILE 31 CO 0.03 -1.12 1.06 0.41 0.00 0.00 0.00 174.94 175.32 2djb n THR 32 N 2.50 -0.10 -0.24 2.92 -1.04 -1.26 0.82 114.28 117.88 2djb n THR 32 Ca 0.22 1.13 0.01 0.00 -2.04 0.00 0.00 64.05 63.37 2djb n THR 32 Cb 0.38 -1.86 0.09 0.00 -1.82 0.00 0.00 70.33 67.11 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 0.01 0.00 -2.82 4.81 -1.96 -2.96 114.58 111.66 2djb h GLU 33 Ca 0.61 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.84 2djb h GLU 33 Cb 2.20 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 31.57 2djb h GLU 33 CO -0.18 0.01 0.00 0.00 -0.73 0.00 0.00 179.01 178.10 2djb n LEU 35 N -0.11 -3.54 -4.50 0.00 7.99 0.19 -5.01 117.00 112.01 2djb n LEU 35 Ca 0.00 -0.52 -0.31 0.00 -0.01 0.00 0.00 56.01 55.16 2djb n LEU 35 Cb 0.12 -2.83 -0.12 0.00 -0.11 0.00 0.00 43.42 40.48 2djb n LEU 35 CO 0.00 0.47 -0.46 -1.00 -1.51 0.00 0.00 177.39 174.90 2djb s HIS 36 N -3.31 2.67 -0.10 -1.77 3.76 -1.23 -4.86 115.29 110.45 2djb s HIS 36 Ca 0.28 -0.19 -0.04 0.00 -0.15 0.00 0.00 55.06 54.96 2djb s HIS 36 Cb -0.12 -1.53 -0.04 0.00 1.11 0.00 0.00 32.58 32.00 2djb s HIS 36 CO 0.66 0.27 0.05 0.99 -0.85 0.00 0.00 174.74 175.86 2djb s THR 37 N -0.91 4.77 -0.21 1.30 2.01 -1.26 0.47 115.64 121.80 2djb s THR 37 Ca 0.15 -0.07 -0.08 0.00 0.31 0.00 0.00 61.69 62.00 2djb s THR 37 Cb -0.11 -3.04 0.09 0.00 0.01 0.00 0.00 72.50 69.45 2djb s THR 37 CO 0.05 0.60 0.46 -0.36 -0.69 0.00 0.00 174.62 174.68 2djb s PHE 38 N -0.85 -0.88 0.41 4.92 0.08 0.90 -4.86 117.98 117.71 2djb s PHE 38 Ca 0.13 1.65 -0.13 0.00 0.12 0.00 0.00 56.93 58.70 2djb s PHE 38 Cb -0.12 0.39 -0.11 0.00 -0.57 0.00 0.00 43.02 42.61 2djb s PHE 38 CO 0.03 -0.50 -0.15 0.00 -0.10 0.00 0.00 175.22 174.50 2djb h LYS 40 N -0.09 -0.88 -0.61 0.00 1.63 -1.92 0.22 116.57 114.92 2djb h LYS 40 Ca -0.30 0.06 0.03 0.00 -0.85 0.00 0.00 60.65 59.59 2djb h LYS 40 Cb 1.05 0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 32.84 2djb h LYS 40 CO 0.29 -0.59 0.37 1.03 -3.45 0.00 0.00 179.45 177.11 2djb h SER 41 N -0.91 0.60 0.44 4.20 0.87 -1.96 0.38 113.55 117.16 2djb h SER 41 Ca -0.07 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 2djb h SER 41 Cb 0.74 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2djb h SER 41 CO 0.08 0.42 -0.21 0.00 -0.53 0.00 0.00 176.83 176.58 2djb h ILE 43 N -0.61 0.86 -0.17 0.00 6.09 -0.53 1.00 117.51 124.15 2djb h ILE 43 Ca -0.06 -0.25 -0.10 0.00 -1.37 0.00 0.00 64.86 63.08 2djb h ILE 43 Cb 0.45 0.06 -0.01 0.00 0.47 0.00 0.00 36.82 37.79 2djb h ILE 43 CO 0.10 0.13 -0.33 0.58 -3.07 0.00 0.00 178.15 175.56 2djb h VAL 44 N 0.74 1.28 0.00 2.19 2.07 -0.19 -1.32 116.25 121.01 2djb h VAL 44 Ca 0.41 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.48 2djb h VAL 44 Cb 0.44 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 2djb h VAL 44 CO -0.28 0.42 -0.65 -0.09 0.02 0.00 0.00 177.57 177.00 2djb h ARG 45 N 0.30 0.00 0.08 1.57 2.43 0.22 -3.19 114.38 115.79 2djb h ARG 45 Ca 0.04 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.96 2djb h ARG 45 Cb 0.74 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 2djb h ARG 45 CO 0.06 0.25 -1.15 1.25 -1.51 0.00 0.00 179.97 178.86 2djb h HIS 46 N 0.00 0.31 0.00 2.20 2.76 0.12 -3.26 115.15 117.28 2djb h HIS 46 Ca -0.03 -0.23 -0.11 0.00 -2.20 0.00 0.00 60.37 57.80 2djb h HIS 46 Cb 1.26 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.20 2djb h HIS 46 CO 0.00 1.18 -0.53 0.74 -1.30 0.00 0.00 177.93 178.02 2djb h PHE 47 N 0.05 0.00 -0.36 5.26 0.04 -1.20 0.63 116.94 121.36 2djb h PHE 47 Ca -0.09 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.68 2djb h PHE 47 Cb 1.90 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.03 2djb h PHE 47 CO 0.04 0.53 0.21 1.88 -0.60 0.00 0.00 178.31 180.37 2djb h TYR 48 N 0.00 0.48 0.04 -0.55 0.05 -1.59 -3.27 116.97 112.12 2djb h TYR 48 Ca -0.01 -0.00 -0.37 0.00 0.05 0.00 0.00 58.73 58.40 2djb h TYR 48 Cb 1.07 -0.16 -0.05 0.00 1.01 0.00 0.00 36.73 38.61 2djb h TYR 48 CO 0.00 0.36 -2.14 0.66 -1.05 0.00 0.00 178.16 175.99 2djb n TYR 49 N -4.79 0.55 -4.03 4.88 4.01 -1.21 -4.84 117.16 111.73 2djb n TYR 49 Ca -0.00 0.16 -0.32 0.00 -0.16 0.00 0.00 57.90 57.58 2djb n TYR 49 Cb 0.06 -1.07 -0.15 0.00 -0.31 0.00 0.00 39.34 37.88 2djb n TYR 49 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 2djb s SER 50 N -6.95 4.62 0.00 7.72 0.01 0.22 -4.98 113.70 114.34 2djb s SER 50 Ca -0.31 -1.72 -0.01 0.00 1.31 0.00 0.00 55.95 55.22 2djb s SER 50 Cb 0.09 -1.60 -0.03 0.00 0.21 0.00 0.00 66.02 64.69 2djb s SER 50 CO 0.62 -0.28 2.02 -0.46 0.41 0.00 0.00 173.24 175.55 2djb n ASN 51 N 4.37 4.85 -3.86 2.44 0.23 -1.23 -3.17 115.26 118.89 2djb n ASN 51 Ca -0.06 -2.30 -0.11 0.00 -0.53 0.00 0.00 54.58 51.58 2djb n ASN 51 Cb 0.42 -1.06 -0.11 0.00 -2.08 0.00 0.00 39.78 36.95 2djb n ASN 51 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 2djb s ARG 52 N 0.31 0.36 0.07 -3.83 0.52 -1.26 -3.17 118.95 111.96 2djb s ARG 52 Ca 0.08 -0.19 -0.31 0.00 -0.52 0.00 0.00 55.73 54.79 2djb s ARG 52 Cb 0.04 0.15 -0.07 0.00 0.52 0.00 0.00 34.95 35.59 2djb s ARG 52 CO 0.00 -0.08 1.44 0.00 0.02 0.00 0.00 175.30 176.68 2djb n PRO 54 N 4.66 0.49 0.00 0.00 -0.04 -1.26 0.08 135.00 138.92 2djb n PRO 54 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 2djb n PRO 54 Cb 0.42 -1.09 0.00 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.01 0.54 4.81 -1.26 -4.78 118.16 116.89 2djb n LYS 55 Ca 0.02 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.58 2djb n LYS 55 Cb 0.01 -0.23 0.23 0.00 0.02 0.00 0.00 35.03 35.06 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 -1.62 -3.74 -4.70 0.00 4.13 0.11 -4.98 115.26 104.46 2djb n ASN 57 Ca 0.05 -0.65 -0.28 0.00 1.68 0.00 0.00 54.58 55.38 2djb n ASN 57 Cb 0.36 -5.14 -0.07 0.00 -1.54 0.00 0.00 39.78 33.38 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 -3.37 4.01 -1.01 2.41 -4.36 -1.25 -4.79 121.20 112.84 2djb s ILE 58 Ca 0.17 -1.14 -0.23 0.00 -0.26 0.00 0.00 60.65 59.19 2djb s ILE 58 Cb -0.02 -2.97 0.04 0.00 1.25 0.00 0.00 42.46 40.76 2djb s ILE 58 CO 0.73 0.01 1.51 -0.69 0.24 0.00 0.00 174.94 176.74 2djb s VAL 59 N -1.52 3.87 0.09 8.37 1.01 -1.26 -2.19 120.40 128.77 2djb s VAL 59 Ca 0.27 -0.73 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 2djb s VAL 59 Cb -0.11 -4.94 -0.09 0.00 0.00 0.00 0.00 36.38 31.25 2djb s VAL 59 CO 0.19 -1.82 1.41 0.58 0.00 0.00 0.00 175.10 175.46 2djb h VAL 60 N 6.84 1.31 -3.34 2.92 2.07 -1.93 -3.43 116.25 120.69 2djb h VAL 60 Ca 0.19 -1.46 -0.62 0.00 0.82 0.00 0.00 66.70 65.64 2djb h VAL 60 Cb 1.01 1.62 -0.16 0.00 -1.52 0.00 0.00 31.29 32.24 2djb h VAL 60 CO 1.40 0.46 -0.55 -2.28 0.02 0.00 0.00 177.57 176.63 2djb s HIS 61 N -4.34 3.27 0.17 1.57 2.46 -1.25 -5.01 115.29 112.16 2djb s HIS 61 Ca -0.12 0.10 -0.29 0.00 0.47 0.00 0.00 55.06 55.21 2djb s HIS 61 Cb 0.08 -2.12 -0.02 0.00 -0.13 0.00 0.00 32.58 30.39 2djb s HIS 61 CO 0.83 0.13 1.53 0.94 -2.47 0.00 0.00 174.74 175.70 2djb n GLN 62 N 3.70 -0.41 -1.39 2.88 7.27 -1.26 -4.53 117.38 123.64 2djb n GLN 62 Ca -0.16 1.51 -0.52 0.00 0.07 0.00 0.00 57.00 57.90 2djb n GLN 62 Cb 0.52 -2.22 -0.05 0.00 2.41 0.00 0.00 30.24 30.90 2djb n GLN 62 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2djb n THR 63 N -5.28 0.91 -1.99 1.69 -1.04 -1.26 -4.92 114.28 102.39 2djb n THR 63 Ca 0.03 -0.23 -0.30 0.00 -2.04 0.00 0.00 64.05 61.52 2djb n THR 63 Cb 0.28 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.82 2djb n THR 63 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2djb s GLN 64 N -0.45 3.11 0.00 -2.82 1.11 -1.26 -4.90 119.66 114.44 2djb s GLN 64 Ca 0.75 0.47 0.08 0.00 0.01 0.00 0.00 55.36 56.67 2djb s GLN 64 Cb -1.06 -2.09 0.50 0.00 -1.01 0.00 0.00 33.01 29.34 2djb s GLN 64 CO 0.54 -0.82 0.94 -0.35 0.01 0.00 0.00 175.29 175.62 2djb n PRO 65 N -2.84 0.49 -3.78 2.91 -0.04 -1.26 -4.65 135.00 125.83 2djb n PRO 65 Ca 0.06 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.39 2djb n PRO 65 Cb 0.56 -1.27 -0.11 0.00 -0.04 0.00 0.00 33.50 32.65 2djb n PRO 65 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2djb s LEU 66 N -1.53 0.91 -0.57 1.53 1.43 -1.26 -5.03 118.68 114.15 2djb s LEU 66 Ca 0.12 0.50 0.04 0.00 -1.03 0.00 0.00 54.13 53.76 2djb s LEU 66 Cb 0.06 1.02 0.16 0.00 0.03 0.00 0.00 46.19 47.46 2djb s LEU 66 CO 0.10 -0.15 0.38 -0.55 0.23 0.00 0.00 176.35 176.35 2djb s SER 67 N -0.08 3.93 0.00 2.29 0.15 -1.26 -4.14 113.70 114.58 2djb s SER 67 Ca -0.02 -3.33 0.00 0.00 0.70 0.00 0.00 55.95 53.29 2djb s SER 67 Cb -0.03 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.97 2djb s SER 67 CO 0.01 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2djb n GLY 68 N 2.63 3.28 0.18 9.45 0.00 -1.26 -4.87 105.19 114.59 2djb n GLY 68 Ca 0.17 -1.37 0.03 0.00 0.00 0.00 0.00 46.02 44.84 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 0.00 0.00 0.03 1.61 0.13 -1.97 0.21 132.00 132.00 2djb h PRO 69 Ca 0.00 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.94 2djb h PRO 69 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2djb h PRO 69 CO 0.00 0.43 -0.99 0.77 -0.23 0.00 0.00 178.00 177.98 2djb h SER 70 N 0.00 0.09 0.17 1.44 0.02 -1.99 -3.41 113.55 109.88 2djb h SER 70 Ca -0.00 -0.72 -0.01 0.00 -0.84 0.00 0.00 61.79 60.22 2djb h SER 70 Cb 0.82 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.33 2djb h SER 70 CO 0.06 1.40 -0.08 0.28 -1.14 0.00 0.00 176.83 177.34 2djb h SER 71 N -0.83 -0.20 0.00 3.07 0.02 -1.87 -3.53 113.55 110.21 2djb h SER 71 Ca -0.25 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2djb h SER 71 Cb 1.34 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.93 2djb h SER 71 CO -0.09 0.20 0.00 0.61 -1.14 0.00 0.00 176.83 176.41