#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 2.93 0.01 1.61 1.04 -1.26 -5.12 113.70 112.92 2djb s SER 2 Ca 0.00 -0.56 0.01 0.00 0.48 0.00 0.00 55.95 55.87 2djb s SER 2 Cb 0.00 -1.35 -0.01 0.00 0.10 0.00 0.00 66.02 64.76 2djb s SER 2 CO 0.00 0.04 -0.03 -0.94 0.98 0.00 0.00 173.24 173.29 2djb s SER 3 N 1.00 0.31 0.24 7.02 1.04 -1.26 -5.16 113.70 116.89 2djb s SER 3 Ca -0.04 -0.29 -0.16 0.00 0.48 0.00 0.00 55.95 55.94 2djb s SER 3 Cb -0.15 0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.02 2djb s SER 3 CO -0.05 -0.14 0.55 -0.83 0.98 0.00 0.00 173.24 173.75 2djb s GLY 4 N -0.83 0.25 0.14 7.32 0.00 -1.26 -5.18 107.32 107.76 2djb s GLY 4 Ca -0.08 -0.61 -0.14 0.00 0.00 0.00 0.00 44.72 43.90 2djb s GLY 4 CO -0.00 -0.42 0.37 -0.56 0.00 0.00 0.00 173.10 172.48 2djb s SER 5 N -2.96 -0.14 0.13 1.64 0.01 -1.26 -5.10 113.70 106.02 2djb s SER 5 Ca 0.17 -0.49 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2djb s SER 5 Cb -0.02 0.47 0.00 0.00 0.21 0.00 0.00 66.02 66.67 2djb s SER 5 CO 0.06 -0.88 0.00 -0.24 0.41 0.00 0.00 173.24 172.59 2djb n SER 6 N -0.22 0.62 0.00 2.44 2.88 -1.26 -5.13 113.62 112.95 2djb n SER 6 Ca -0.13 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2djb n SER 6 Cb 0.63 -0.10 0.00 0.00 -0.75 0.00 0.00 64.21 63.99 2djb n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2djb n GLY 7 N 2.93 0.70 2.75 0.46 0.00 -1.26 -4.90 105.19 105.87 2djb n GLY 7 Ca 0.00 -1.14 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 2djb n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2djb s ASN 8 N -4.00 1.28 -0.05 1.61 0.01 -1.26 -5.14 114.94 107.39 2djb s ASN 8 Ca 0.00 -0.03 -0.14 0.00 -0.71 0.00 0.00 52.86 51.98 2djb s ASN 8 Cb 0.00 0.15 0.03 0.00 0.41 0.00 0.00 41.25 41.84 2djb s ASN 8 CO 0.00 -0.29 0.32 -0.76 -1.51 0.00 0.00 177.10 174.86 2djb s LEU 9 N 2.26 0.80 -1.21 0.60 1.02 -1.26 -5.09 118.68 115.80 2djb s LEU 9 Ca 0.04 0.29 -0.13 0.00 0.02 0.00 0.00 54.13 54.35 2djb s LEU 9 Cb -0.14 1.24 0.18 0.00 0.02 0.00 0.00 46.19 47.49 2djb s LEU 9 CO -0.08 -0.34 1.44 -0.24 0.02 0.00 0.00 176.35 177.16 2djb n SER 10 N 1.82 5.26 -3.72 2.29 2.88 -1.26 -4.64 113.62 116.25 2djb n SER 10 Ca -0.19 -3.00 -0.31 0.00 -1.33 0.00 0.00 58.87 54.05 2djb n SER 10 Cb 0.57 -1.54 -0.06 0.00 -0.75 0.00 0.00 64.21 62.43 2djb n SER 10 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2djb n GLU 11 N 5.13 -0.80 -1.55 -1.46 0.28 -1.26 -4.63 120.64 116.35 2djb n GLU 11 Ca 0.36 0.10 -0.15 0.00 -0.16 0.00 0.00 57.16 57.30 2djb n GLU 11 Cb 0.42 -3.36 -0.10 0.00 1.43 0.00 0.00 31.44 29.83 2djb n GLU 11 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2djb n LEU 12 N -3.12 1.29 -4.41 -1.84 7.99 -1.26 -4.86 117.00 110.79 2djb n LEU 12 Ca 0.06 -1.30 -0.45 0.00 -0.01 0.00 0.00 56.01 54.31 2djb n LEU 12 Cb 0.34 -1.48 -0.01 0.00 -0.11 0.00 0.00 43.42 42.16 2djb n LEU 12 CO 0.70 -2.41 -0.01 0.35 -1.51 0.00 0.00 177.39 174.51 2djb n THR 13 N 8.25 1.63 -2.23 -5.08 -2.24 -1.26 -4.86 114.28 108.48 2djb n THR 13 Ca 0.50 -0.50 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 2djb n THR 13 Cb 0.38 -0.25 -0.03 0.00 -2.10 0.00 0.00 70.33 68.33 2djb n THR 13 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2djb s PRO 14 N -1.20 4.42 0.00 -0.78 0.04 -1.26 -4.96 135.00 131.26 2djb s PRO 14 Ca 0.62 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2djb s PRO 14 Cb -0.76 -3.16 0.00 0.00 0.04 0.00 0.00 34.50 30.62 2djb s PRO 14 CO 0.59 -0.15 0.00 2.48 0.04 0.00 0.00 177.00 179.95 2djb n TYR 15 N 1.87 0.00 -0.09 0.56 4.11 -1.26 -4.96 117.16 117.39 2djb n TYR 15 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.90 57.83 2djb n TYR 15 Cb 0.43 0.02 -0.12 0.00 -0.00 0.00 0.00 39.34 39.67 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 -2.08 1.15 -0.82 -3.48 -0.00 -1.26 -5.02 119.36 107.85 2djb n ILE 16 Ca 0.00 -0.62 -0.35 0.00 -0.00 0.00 0.00 62.75 61.78 2djb n ILE 16 Cb 0.00 -0.79 0.11 0.00 -0.00 0.00 0.00 39.64 38.96 2djb n ILE 16 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 2djb n LEU 17 N -2.77 -2.67 -4.97 1.39 4.77 -1.26 -4.33 117.00 107.16 2djb n LEU 17 Ca -0.30 -0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.42 2djb n LEU 17 Cb 0.99 -0.77 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 2djb n LEU 17 CO 0.30 -2.98 0.27 0.00 -1.33 0.00 0.00 177.39 173.66 2djb n SER 19 N -2.11 0.72 -0.07 0.00 2.88 -1.26 -3.47 113.62 110.32 2djb n SER 19 Ca 0.05 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.54 2djb n SER 19 Cb 0.59 1.03 -0.02 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 -2.59 1.40 0.16 2.46 5.41 -1.26 -4.50 119.36 120.45 2djb n ILE 20 Ca -0.26 0.22 0.10 0.00 1.00 0.00 0.00 62.75 63.81 2djb n ILE 20 Cb 1.00 -2.38 0.08 0.00 -0.71 0.00 0.00 39.64 37.63 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 -2.96 -6.77 -3.67 0.00 4.76 -1.23 -4.95 118.16 103.34 2djb n LYS 22 Ca 0.01 0.82 -0.10 0.00 -2.87 0.00 0.00 58.31 56.17 2djb n LYS 22 Cb 0.58 -5.78 -0.05 0.00 -1.84 0.00 0.00 35.03 27.94 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 -4.08 -0.22 -0.13 0.72 0.00 -1.26 -4.64 107.32 97.70 2djb s GLY 23 Ca 0.14 -0.08 -0.30 0.00 0.00 0.00 0.00 44.72 44.47 2djb s GLY 23 CO 0.71 -0.33 0.89 -1.72 0.00 0.00 0.00 173.10 172.64 2djb n TYR 24 N -0.11 0.74 -2.05 1.90 4.01 -1.26 -3.01 117.16 117.38 2djb n TYR 24 Ca -0.16 0.76 -0.39 0.00 -0.16 0.00 0.00 57.90 57.95 2djb n TYR 24 Cb 0.63 -1.50 -0.03 0.00 -0.31 0.00 0.00 39.34 38.13 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 0.78 3.34 0.08 7.72 1.43 -1.26 -4.87 118.68 125.90 2djb s LEU 25 Ca 0.67 0.51 -0.28 0.00 -1.03 0.00 0.00 54.13 54.01 2djb s LEU 25 Cb -0.95 -2.73 -0.16 0.00 0.03 0.00 0.00 46.19 42.37 2djb s LEU 25 CO 0.46 -2.23 1.68 0.40 0.23 0.00 0.00 176.35 176.90 2djb h ILE 26 N 6.85 0.67 -1.45 -0.59 1.08 -1.98 -3.34 117.51 118.77 2djb h ILE 26 Ca -0.27 0.00 -0.47 0.00 -0.39 0.00 0.00 64.86 63.73 2djb h ILE 26 Cb 1.16 0.67 -0.41 0.00 -3.07 0.00 0.00 36.82 35.18 2djb h ILE 26 CO 1.18 0.00 -1.02 0.47 -0.69 0.00 0.00 178.15 178.10 2djb n ASP 27 N -5.28 2.53 -2.39 1.72 8.00 -1.26 -4.97 116.55 114.90 2djb n ASP 27 Ca -0.10 -3.14 -0.27 0.00 0.71 0.00 0.00 54.79 52.00 2djb n ASP 27 Cb 0.20 -0.53 -0.02 0.00 -0.02 0.00 0.00 41.12 40.75 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 -0.13 -2.04 -3.86 2.24 0.00 -1.25 -2.22 120.51 113.24 2djb n ALA 28 Ca 0.22 0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.61 2djb n ALA 28 Cb 0.70 -0.88 -0.14 0.00 0.00 0.00 0.00 19.45 19.13 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 -0.49 1.75 -0.25 0.00 2.01 0.57 -4.77 115.64 114.47 2djb s THR 29 Ca 0.36 -2.29 -0.29 0.00 0.31 0.00 0.00 61.69 59.78 2djb s THR 29 Cb -0.52 -2.27 -0.01 0.00 0.01 0.00 0.00 72.50 69.70 2djb s THR 29 CO 0.30 -0.72 1.48 -0.89 -0.69 0.00 0.00 174.62 174.10 2djb s THR 30 N 0.78 3.89 0.68 -0.82 2.01 -1.25 -3.07 115.64 117.87 2djb s THR 30 Ca 0.13 1.00 -0.13 0.00 0.31 0.00 0.00 61.69 63.01 2djb s THR 30 Cb -0.21 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.41 2djb s THR 30 CO -0.10 -0.37 1.08 -0.63 -0.69 0.00 0.00 174.62 173.91 2djb s ILE 31 N 4.83 3.64 -2.62 1.82 1.01 -0.53 -4.89 121.20 124.45 2djb s ILE 31 Ca 0.65 0.64 0.23 0.00 0.00 0.00 0.00 60.65 62.17 2djb s ILE 31 Cb -0.21 -3.21 0.11 0.00 0.01 0.00 0.00 42.46 39.16 2djb s ILE 31 CO 0.26 -0.59 1.19 0.41 0.00 0.00 0.00 174.94 176.21 2djb n THR 32 N -2.81 0.00 0.00 2.92 -1.04 -1.26 -3.17 114.28 108.92 2djb n THR 32 Ca 0.09 -0.41 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 2djb n THR 32 Cb 0.53 1.41 0.00 0.00 -1.82 0.00 0.00 70.33 70.45 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 0.82 0.00 0.01 -2.82 2.13 -1.26 -4.69 120.64 114.83 2djb n GLU 33 Ca 0.12 0.09 0.12 0.00 0.66 0.00 0.00 57.16 58.15 2djb n GLU 33 Cb 0.55 -0.56 0.15 0.00 0.27 0.00 0.00 31.44 31.84 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 -1.61 -4.28 -4.68 0.00 7.99 -1.19 -5.02 117.00 108.22 2djb n LEU 35 Ca 0.05 -0.56 -0.24 0.00 -0.01 0.00 0.00 56.01 55.25 2djb n LEU 35 Cb 0.36 -2.76 -0.07 0.00 -0.11 0.00 0.00 43.42 40.84 2djb n LEU 35 CO 0.37 0.23 -0.31 -1.00 -1.51 0.00 0.00 177.39 175.17 2djb s HIS 36 N -3.32 2.81 -0.18 -1.77 3.76 -1.26 -4.80 115.29 110.54 2djb s HIS 36 Ca 0.16 -0.17 -0.08 0.00 -0.15 0.00 0.00 55.06 54.81 2djb s HIS 36 Cb -0.02 -1.30 -0.04 0.00 1.11 0.00 0.00 32.58 32.33 2djb s HIS 36 CO 0.62 0.56 0.09 0.99 -0.85 0.00 0.00 174.74 176.16 2djb s THR 37 N -2.05 5.07 -0.19 1.30 2.01 -1.26 -1.46 115.64 119.06 2djb s THR 37 Ca 0.30 0.06 -0.10 0.00 0.31 0.00 0.00 61.69 62.26 2djb s THR 37 Cb -0.08 -3.28 0.06 0.00 0.01 0.00 0.00 72.50 69.21 2djb s THR 37 CO 0.20 0.47 0.46 -0.36 -0.69 0.00 0.00 174.62 174.70 2djb s PHE 38 N 0.19 -0.70 1.01 4.92 0.08 -1.17 -4.82 117.98 117.48 2djb s PHE 38 Ca 0.06 1.45 -0.17 0.00 0.12 0.00 0.00 56.93 58.39 2djb s PHE 38 Cb -0.12 0.34 -0.04 0.00 -0.57 0.00 0.00 43.02 42.63 2djb s PHE 38 CO -0.00 -0.38 -0.33 0.00 -0.10 0.00 0.00 175.22 174.40 2djb h LYS 40 N -1.41 -0.04 -0.17 0.00 1.63 -1.74 -1.73 116.57 113.11 2djb h LYS 40 Ca -0.45 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.33 2djb h LYS 40 Cb 1.32 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.95 2djb h LYS 40 CO 0.30 0.33 -0.01 0.66 -3.45 0.00 0.00 179.45 177.28 2djb h SER 41 N -0.43 0.29 0.19 4.20 4.64 -1.90 -1.31 113.55 119.23 2djb h SER 41 Ca -0.00 -0.32 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 2djb h SER 41 Cb 0.40 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2djb h SER 41 CO 0.01 0.54 -0.18 0.00 -0.87 0.00 0.00 176.83 176.34 2djb h ILE 43 N -0.36 0.55 -0.29 0.00 6.09 -1.40 0.46 117.51 122.55 2djb h ILE 43 Ca -0.02 -0.05 -0.03 0.00 -1.37 0.00 0.00 64.86 63.39 2djb h ILE 43 Cb 0.31 0.39 -0.02 0.00 0.47 0.00 0.00 36.82 37.98 2djb h ILE 43 CO -0.02 0.03 0.05 0.58 -3.07 0.00 0.00 178.15 175.72 2djb h VAL 44 N 0.15 1.15 0.00 2.19 2.07 -1.07 -0.91 116.25 119.82 2djb h VAL 44 Ca 0.30 -0.56 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 2djb h VAL 44 Cb 0.48 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 2djb h VAL 44 CO -0.48 0.20 -0.38 -0.09 0.02 0.00 0.00 177.57 176.84 2djb h ARG 45 N 0.42 0.00 0.13 1.57 2.43 0.31 -3.14 114.38 116.10 2djb h ARG 45 Ca 0.10 0.00 -0.28 0.00 -0.81 0.00 0.00 59.98 58.99 2djb h ARG 45 Cb 0.20 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.76 2djb h ARG 45 CO -0.00 0.38 -1.24 1.25 -1.51 0.00 0.00 179.97 178.85 2djb h HIS 46 N 0.00 0.54 0.00 2.20 2.76 0.65 -3.26 115.15 118.05 2djb h HIS 46 Ca -0.00 -0.39 -0.07 0.00 -2.20 0.00 0.00 60.37 57.71 2djb h HIS 46 Cb 1.24 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 30.17 2djb h HIS 46 CO 0.00 1.29 -0.33 0.74 -1.30 0.00 0.00 177.93 178.34 2djb h PHE 47 N 0.09 0.00 -0.24 5.26 0.04 -1.15 0.63 116.94 121.57 2djb h PHE 47 Ca -0.14 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 2djb h PHE 47 Cb 1.96 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.10 2djb h PHE 47 CO 0.07 0.33 0.12 1.88 -0.60 0.00 0.00 178.31 180.10 2djb h TYR 48 N 0.00 0.35 0.05 -0.55 0.05 -1.58 -3.26 116.97 112.03 2djb h TYR 48 Ca -0.00 -0.02 -0.34 0.00 0.05 0.00 0.00 58.73 58.42 2djb h TYR 48 Cb 0.75 -0.11 -0.04 0.00 1.01 0.00 0.00 36.73 38.34 2djb h TYR 48 CO 0.00 0.33 -1.91 0.66 -1.05 0.00 0.00 178.16 176.19 2djb n TYR 49 N -4.83 0.84 -3.90 4.88 4.01 -1.18 -4.85 117.16 112.14 2djb n TYR 49 Ca -0.03 0.25 -0.30 0.00 -0.16 0.00 0.00 57.90 57.66 2djb n TYR 49 Cb 0.09 -1.10 -0.16 0.00 -0.31 0.00 0.00 39.34 37.87 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 -6.97 3.83 0.64 7.72 0.01 0.22 -4.98 113.70 114.18 2djb s SER 50 Ca -0.28 -1.27 0.42 0.00 1.31 0.00 0.00 55.95 56.13 2djb s SER 50 Cb 0.08 -1.11 2.20 0.00 0.21 0.00 0.00 66.02 67.40 2djb s SER 50 CO 0.65 -0.28 2.29 -1.13 0.41 0.00 0.00 173.24 175.19 2djb h ASN 51 N 7.98 0.00 -3.63 2.44 -1.24 -1.70 -3.14 115.58 116.29 2djb h ASN 51 Ca -0.16 0.00 -0.42 0.00 0.71 0.00 0.00 56.30 56.43 2djb h ASN 51 Cb 1.07 0.00 0.19 0.00 0.73 0.00 0.00 38.32 40.30 2djb h ASN 51 CO 0.42 0.00 0.23 -0.13 -1.29 0.00 0.00 177.43 176.66 2djb s ARG 52 N -4.04 -0.76 -0.17 6.67 0.52 -1.26 -3.17 118.95 116.74 2djb s ARG 52 Ca -0.04 -0.25 -0.10 0.00 -0.52 0.00 0.00 55.73 54.81 2djb s ARG 52 Cb 0.12 -1.67 -0.05 0.00 0.52 0.00 0.00 34.95 33.88 2djb s ARG 52 CO 0.44 -3.37 0.18 0.00 0.02 0.00 0.00 175.30 172.56 2djb n PRO 54 N 3.22 0.49 0.00 0.00 -0.04 -1.26 -0.04 135.00 137.38 2djb n PRO 54 Ca -0.16 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.30 2djb n PRO 54 Cb 0.52 -1.03 -0.00 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.42 0.00 0.03 0.54 4.81 -1.26 -4.82 118.16 117.03 2djb n LYS 55 Ca 0.00 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.56 2djb n LYS 55 Cb 0.01 -0.05 0.26 0.00 0.02 0.00 0.00 35.03 35.27 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 -1.77 -2.13 -4.35 0.00 4.13 0.95 -4.94 115.26 107.15 2djb n ASN 57 Ca 0.05 -0.54 -0.32 0.00 1.68 0.00 0.00 54.58 55.45 2djb n ASN 57 Cb 0.38 -4.51 -0.15 0.00 -1.54 0.00 0.00 39.78 33.96 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 -3.31 2.71 -1.04 2.41 -4.36 -1.26 -4.69 121.20 111.67 2djb s ILE 58 Ca 0.01 -0.80 -0.25 0.00 -0.26 0.00 0.00 60.65 59.35 2djb s ILE 58 Cb -0.01 -2.09 -0.14 0.00 1.25 0.00 0.00 42.46 41.48 2djb s ILE 58 CO 0.63 0.55 2.07 0.54 0.24 0.00 0.00 174.94 178.97 2djb s VAL 59 N 0.06 3.28 0.15 8.37 0.11 -1.26 -1.55 120.40 129.55 2djb s VAL 59 Ca -0.07 -0.40 -0.31 0.00 -2.93 0.00 0.00 61.98 58.27 2djb s VAL 59 Cb -0.15 -4.05 -0.11 0.00 -1.53 0.00 0.00 36.38 30.55 2djb s VAL 59 CO 0.05 -0.52 1.79 -0.69 -3.33 0.00 0.00 175.10 172.40 2djb s VAL 60 N 13.47 2.41 0.12 2.04 1.01 -1.19 -4.87 120.40 133.39 2djb s VAL 60 Ca 0.77 0.06 -0.35 0.00 0.00 0.00 0.00 61.98 62.46 2djb s VAL 60 Cb -0.05 -3.04 -0.17 0.00 0.00 0.00 0.00 36.38 33.12 2djb s VAL 60 CO 0.12 0.00 1.12 1.57 0.00 0.00 0.00 175.10 177.90 2djb n HIS 61 N 5.20 1.03 -1.22 5.22 -0.00 -1.26 -4.83 115.22 119.36 2djb n HIS 61 Ca 0.17 0.78 -0.26 0.00 0.46 0.00 0.00 57.72 58.88 2djb n HIS 61 Cb 0.37 -2.22 0.03 0.00 -0.12 0.00 0.00 29.99 28.06 2djb n HIS 61 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2djb n GLN 62 N 1.78 2.24 -3.91 1.57 10.64 -1.26 -4.83 117.38 123.61 2djb n GLN 62 Ca 0.17 -2.34 -0.30 0.00 -1.83 0.00 0.00 57.00 52.70 2djb n GLN 62 Cb 0.20 -1.95 -0.16 0.00 -0.86 0.00 0.00 30.24 27.47 2djb n GLN 62 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2djb s THR 63 N -3.18 1.35 -0.11 -0.39 2.01 -1.26 -5.11 115.64 108.95 2djb s THR 63 Ca 0.47 -1.07 -0.15 0.00 0.31 0.00 0.00 61.69 61.25 2djb s THR 63 Cb 0.36 -1.64 0.04 0.00 0.01 0.00 0.00 72.50 71.26 2djb s THR 63 CO -0.09 -0.09 0.40 0.00 -0.69 0.00 0.00 174.62 174.16 2djb s GLN 64 N 1.48 0.56 0.00 4.92 -2.07 -1.26 -5.02 119.66 118.27 2djb s GLN 64 Ca -0.04 0.37 0.12 0.00 -1.82 0.00 0.00 55.36 53.99 2djb s GLN 64 Cb -0.18 0.26 0.74 0.00 -1.09 0.00 0.00 33.01 32.74 2djb s GLN 64 CO -0.07 -0.10 1.16 -0.35 -1.32 0.00 0.00 175.29 174.62 2djb n PRO 65 N 2.37 0.49 -2.43 9.60 -0.04 -1.26 -4.78 135.00 138.95 2djb n PRO 65 Ca -0.16 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.90 2djb n PRO 65 Cb 0.57 -1.39 -0.04 0.00 -0.04 0.00 0.00 33.50 32.60 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 -1.79 4.50 -0.08 1.53 2.96 -1.26 -5.02 118.68 119.52 2djb s LEU 66 Ca 0.19 2.25 -0.31 0.00 -0.22 0.00 0.00 54.13 56.04 2djb s LEU 66 Cb 0.08 -3.62 0.12 0.00 0.50 0.00 0.00 46.19 43.27 2djb s LEU 66 CO 0.14 -0.25 1.00 -0.55 -1.32 0.00 0.00 176.35 175.37 2djb s SER 67 N -0.41 -0.30 -0.05 3.68 0.15 -1.26 -5.12 113.70 110.39 2djb s SER 67 Ca 0.48 0.07 -0.04 0.00 0.70 0.00 0.00 55.95 57.17 2djb s SER 67 Cb -0.32 0.30 0.01 0.00 -1.71 0.00 0.00 66.02 64.31 2djb s SER 67 CO 0.39 -0.46 0.07 0.61 1.20 0.00 0.00 173.24 175.05 2djb n GLY 68 N -0.01 -3.99 0.18 9.45 0.00 -1.26 -4.92 105.19 104.64 2djb n GLY 68 Ca -0.07 0.26 -0.02 0.00 0.00 0.00 0.00 46.02 46.20 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 1.73 0.17 -3.94 1.61 0.13 -2.06 -3.43 132.00 126.23 2djb h PRO 69 Ca -0.16 -0.09 -0.44 0.00 -0.87 0.00 0.00 66.00 64.44 2djb h PRO 69 Cb 0.37 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.14 2djb h PRO 69 CO 0.00 0.61 -0.77 -1.12 -0.23 0.00 0.00 178.00 176.49 2djb s SER 70 N -6.88 1.35 -0.25 1.44 0.01 -1.26 -5.09 113.70 103.02 2djb s SER 70 Ca -0.04 -0.14 -0.28 0.00 1.31 0.00 0.00 55.95 56.81 2djb s SER 70 Cb 0.13 -0.50 -0.05 0.00 0.21 0.00 0.00 66.02 65.81 2djb s SER 70 CO 0.77 -0.11 2.21 -0.94 0.41 0.00 0.00 173.24 175.58 2djb s SER 71 N 1.40 5.40 0.00 2.44 1.04 -1.26 -5.24 113.70 117.48 2djb s SER 71 Ca -0.03 1.79 0.30 0.00 0.48 0.00 0.00 55.95 58.49 2djb s SER 71 Cb -0.13 -2.51 1.45 0.00 0.10 0.00 0.00 66.02 64.92 2djb s SER 71 CO -0.03 -2.02 1.97 0.61 0.98 0.00 0.00 173.24 174.75