#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 -0.29 0.07 1.61 1.04 -1.26 -5.19 113.70 109.69 2djb s SER 2 Ca 0.00 -0.22 -0.26 0.00 0.48 0.00 0.00 55.95 55.95 2djb s SER 2 Cb 0.00 0.47 0.09 0.00 0.10 0.00 0.00 66.02 66.67 2djb s SER 2 CO 0.00 -0.81 0.79 -0.55 0.98 0.00 0.00 173.24 173.64 2djb s SER 3 N -2.74 -0.42 0.00 7.02 0.15 -1.26 -5.18 113.70 111.27 2djb s SER 3 Ca 0.08 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.68 2djb s SER 3 Cb -0.01 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 2djb s SER 3 CO -0.03 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.23 2djb n GLY 4 N -0.32 2.08 2.87 9.45 0.00 -1.26 -5.15 105.19 112.87 2djb n GLY 4 Ca -0.11 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 2djb n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2djb s SER 5 N 0.00 0.59 0.24 1.61 0.01 -1.26 -5.15 113.70 109.73 2djb s SER 5 Ca 0.00 0.04 -0.02 0.00 1.31 0.00 0.00 55.95 57.27 2djb s SER 5 Cb 0.00 0.92 -0.03 0.00 0.21 0.00 0.00 66.02 67.12 2djb s SER 5 CO 0.00 -0.31 0.24 -0.94 0.41 0.00 0.00 173.24 172.64 2djb s SER 6 N 2.49 0.36 0.00 2.44 1.04 -1.26 -5.14 113.70 113.63 2djb s SER 6 Ca 0.11 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.18 2djb s SER 6 Cb -0.15 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2djb s SER 6 CO -0.17 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.70 2djb n GLY 7 N -0.36 -1.07 2.92 7.32 0.00 -1.26 -4.99 105.19 107.76 2djb n GLY 7 Ca 0.02 -2.13 -0.10 0.00 0.00 0.00 0.00 46.02 43.81 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 -4.00 0.31 -0.13 1.61 2.47 -1.26 -5.14 114.94 108.80 2djb s ASN 8 Ca 0.00 0.25 -0.07 0.00 0.42 0.00 0.00 52.86 53.46 2djb s ASN 8 Cb 0.00 1.06 0.05 0.00 -1.45 0.00 0.00 41.25 40.91 2djb s ASN 8 CO 0.00 -0.30 0.31 -0.76 -3.72 0.00 0.00 177.10 172.64 2djb s LEU 9 N 2.53 0.14 -0.25 3.21 1.43 -1.26 -5.15 118.68 119.33 2djb s LEU 9 Ca 0.11 0.68 -0.12 0.00 -1.03 0.00 0.00 54.13 53.77 2djb s LEU 9 Cb -0.15 0.97 0.09 0.00 0.03 0.00 0.00 46.19 47.13 2djb s LEU 9 CO -0.15 -0.18 0.59 -0.55 0.23 0.00 0.00 176.35 176.28 2djb s SER 10 N 1.45 -0.83 -0.05 2.29 0.15 -1.26 -5.15 113.70 110.29 2djb s SER 10 Ca -0.08 1.35 0.01 0.00 0.70 0.00 0.00 55.95 57.92 2djb s SER 10 Cb -0.10 1.55 0.02 0.00 -1.71 0.00 0.00 66.02 65.79 2djb s SER 10 CO -0.10 -0.22 -0.04 -1.61 1.20 0.00 0.00 173.24 172.46 2djb s GLU 11 N 2.12 0.85 0.21 5.44 8.01 -1.26 -5.13 118.70 128.95 2djb s GLU 11 Ca -0.07 -0.09 -0.30 0.00 0.01 0.00 0.00 54.97 54.52 2djb s GLU 11 Cb -0.09 -0.90 -0.09 0.00 -4.31 0.00 0.00 34.13 28.74 2djb s GLU 11 CO -0.17 -0.12 1.34 -1.17 0.01 0.00 0.00 175.26 175.15 2djb s LEU 12 N 1.09 4.41 0.61 1.80 2.96 -1.26 -4.97 118.68 123.32 2djb s LEU 12 Ca -0.08 2.47 -0.19 0.00 -0.22 0.00 0.00 54.13 56.10 2djb s LEU 12 Cb -0.14 -3.61 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 2djb s LEU 12 CO -0.01 -0.57 1.32 0.42 -1.32 0.00 0.00 176.35 176.20 2djb s THR 13 N 0.06 2.03 0.23 3.68 -4.23 -1.26 -4.94 115.64 111.20 2djb s THR 13 Ca 0.57 0.02 -0.30 0.00 -1.18 0.00 0.00 61.69 60.80 2djb s THR 13 Cb -0.38 -3.01 -0.09 0.00 1.34 0.00 0.00 72.50 70.36 2djb s THR 13 CO 0.40 -0.00 1.28 -2.16 -0.54 0.00 0.00 174.62 173.59 2djb s PRO 14 N -3.20 4.41 0.00 3.99 0.04 -1.26 -5.00 135.00 133.99 2djb s PRO 14 Ca 0.78 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.87 2djb s PRO 14 Cb -0.39 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 30.98 2djb s PRO 14 CO 0.43 -0.18 0.00 0.66 0.04 0.00 0.00 177.00 177.95 2djb n TYR 15 N 2.12 0.00 -3.47 0.56 4.01 -1.26 -4.95 117.16 114.17 2djb n TYR 15 Ca 0.04 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.59 2djb n TYR 15 Cb 0.43 -0.22 -0.12 0.00 -0.31 0.00 0.00 39.34 39.11 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 -0.58 -0.32 0.26 -0.72 1.01 -1.26 -5.14 121.20 114.45 2djb s ILE 16 Ca 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 2djb s ILE 16 Cb 0.00 -0.83 -0.02 0.00 0.01 0.00 0.00 42.46 41.62 2djb s ILE 16 CO 0.00 -0.37 0.31 -0.76 0.00 0.00 0.00 174.94 174.12 2djb s LEU 17 N 2.31 1.00 0.34 2.97 1.43 -1.26 -4.73 118.68 120.74 2djb s LEU 17 Ca 0.08 -1.35 0.07 0.00 -1.03 0.00 0.00 54.13 51.90 2djb s LEU 17 Cb -0.15 0.98 -0.01 0.00 0.03 0.00 0.00 46.19 47.04 2djb s LEU 17 CO -0.23 -1.04 0.46 0.00 0.23 0.00 0.00 176.35 175.76 2djb n SER 19 N -1.63 1.54 -0.03 0.00 7.64 -1.26 -3.49 113.62 116.39 2djb n SER 19 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.88 2djb n SER 19 Cb 0.58 0.93 -0.00 0.00 -1.01 0.00 0.00 64.21 64.72 2djb n SER 19 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2djb h ILE 20 N 0.00 0.00 0.00 0.44 2.04 -1.96 -3.38 117.51 114.65 2djb h ILE 20 Ca -0.34 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2djb h ILE 20 Cb 1.75 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2djb h ILE 20 CO 0.02 0.00 -0.68 0.00 0.00 0.00 0.00 178.15 177.49 2djb n LYS 22 N -2.70 -6.57 0.00 0.00 4.76 -1.23 -4.98 118.16 107.45 2djb n LYS 22 Ca 0.02 0.72 0.00 0.00 -2.87 0.00 0.00 58.31 56.18 2djb n LYS 22 Cb 0.53 -5.41 0.00 0.00 -1.84 0.00 0.00 35.03 28.31 2djb n LYS 22 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2djb n GLY 23 N -1.76 3.13 3.50 0.72 0.00 -1.26 -4.70 105.19 104.82 2djb n GLY 23 Ca -0.00 -0.42 -0.33 0.00 0.00 0.00 0.00 46.02 45.27 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 3.93 2.89 -0.39 1.61 2.02 -1.26 -2.33 117.35 123.81 2djb s TYR 24 Ca 0.00 -0.24 -0.29 0.00 -0.37 0.00 0.00 57.07 56.17 2djb s TYR 24 Cb 0.00 -1.79 0.02 0.00 -0.40 0.00 0.00 41.96 39.79 2djb s TYR 24 CO 0.00 0.10 1.20 -0.51 -1.57 0.00 0.00 175.55 174.77 2djb s LEU 25 N -0.26 3.76 -0.04 -1.29 1.43 -1.26 -4.92 118.68 116.09 2djb s LEU 25 Ca 0.03 0.83 -0.06 0.00 -1.03 0.00 0.00 54.13 53.90 2djb s LEU 25 Cb -0.13 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 2djb s LEU 25 CO 0.03 -1.15 0.33 0.40 0.23 0.00 0.00 176.35 176.19 2djb h ILE 26 N 6.08 0.00 0.16 -0.59 5.03 -1.96 -3.38 117.51 122.85 2djb h ILE 26 Ca -0.24 -0.53 -0.29 0.00 -0.12 0.00 0.00 64.86 63.69 2djb h ILE 26 Cb 1.07 0.00 0.02 0.00 -3.03 0.00 0.00 36.82 34.88 2djb h ILE 26 CO 1.08 0.00 -1.30 -0.78 -0.68 0.00 0.00 178.15 176.47 2djb h ASP 27 N -0.75 0.57 -3.66 1.72 3.58 -1.91 -3.49 116.42 112.48 2djb h ASP 27 Ca -0.02 -0.60 -0.11 0.00 0.42 0.00 0.00 57.03 56.72 2djb h ASP 27 Cb 0.17 -0.18 0.07 0.00 1.72 0.00 0.00 39.33 41.11 2djb h ASP 27 CO 0.04 1.46 -0.31 0.00 -2.88 0.00 0.00 179.24 177.55 2djb n ALA 28 N -2.59 -1.01 -1.81 -0.78 0.00 -1.25 -4.98 120.51 108.08 2djb n ALA 28 Ca -0.11 0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.02 2djb n ALA 28 Cb 1.04 -1.87 -0.05 0.00 0.00 0.00 0.00 19.45 18.56 2djb n ALA 28 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2djb s THR 29 N -3.14 4.29 -0.15 0.00 -1.32 0.31 -4.85 115.64 110.77 2djb s THR 29 Ca 0.09 1.33 -0.11 0.00 -1.21 0.00 0.00 61.69 61.79 2djb s THR 29 Cb -0.01 -3.59 0.05 0.00 -1.51 0.00 0.00 72.50 67.44 2djb s THR 29 CO 0.28 -0.40 0.39 -0.89 -2.21 0.00 0.00 174.62 171.79 2djb s THR 30 N -2.26 -0.02 -0.89 5.08 2.01 -1.26 0.35 115.64 118.66 2djb s THR 30 Ca 0.62 0.06 -0.13 0.00 0.31 0.00 0.00 61.69 62.56 2djb s THR 30 Cb -0.11 -0.56 0.23 0.00 0.01 0.00 0.00 72.50 72.07 2djb s THR 30 CO 0.20 0.03 0.84 -0.63 -0.69 0.00 0.00 174.62 174.36 2djb s ILE 31 N 0.93 5.68 0.19 1.82 1.01 -1.00 -4.92 121.20 124.90 2djb s ILE 31 Ca -0.06 -2.68 0.06 0.00 0.00 0.00 0.00 60.65 57.97 2djb s ILE 31 Cb -0.06 -4.49 0.22 0.00 0.01 0.00 0.00 42.46 38.14 2djb s ILE 31 CO -0.07 -1.06 0.89 0.41 0.00 0.00 0.00 174.94 175.11 2djb n THR 32 N 3.70 -0.24 -0.27 2.92 -1.04 -1.26 0.42 114.28 118.51 2djb n THR 32 Ca 0.16 1.21 0.03 0.00 -2.04 0.00 0.00 64.05 63.41 2djb n THR 32 Cb 0.45 -1.85 0.08 0.00 -1.82 0.00 0.00 70.33 67.20 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 -4.53 -0.09 0.00 -2.82 2.13 -1.26 -1.17 120.64 112.90 2djb n GLU 33 Ca 0.17 1.13 0.02 0.00 0.66 0.00 0.00 57.16 59.13 2djb n GLU 33 Cb 0.56 -1.68 -0.01 0.00 0.27 0.00 0.00 31.44 30.57 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 -0.89 -3.34 -4.56 0.00 4.77 0.12 -5.01 117.00 108.10 2djb n LEU 35 Ca 0.01 -0.46 -0.34 0.00 -0.03 0.00 0.00 56.01 55.19 2djb n LEU 35 Cb 0.05 -2.56 -0.11 0.00 -2.33 0.00 0.00 43.42 38.48 2djb n LEU 35 CO 0.06 0.43 -0.34 -1.00 -1.33 0.00 0.00 177.39 175.21 2djb s HIS 36 N -3.27 3.05 0.19 -1.77 3.76 -1.25 -4.91 115.29 111.10 2djb s HIS 36 Ca 0.27 -0.13 -0.17 0.00 -0.15 0.00 0.00 55.06 54.88 2djb s HIS 36 Cb -0.12 -1.89 -0.08 0.00 1.11 0.00 0.00 32.58 31.60 2djb s HIS 36 CO 0.58 0.13 0.65 0.99 -0.85 0.00 0.00 174.74 176.25 2djb s THR 37 N -0.06 4.69 0.16 1.30 2.01 -1.26 -2.38 115.64 120.09 2djb s THR 37 Ca 0.02 1.09 -0.14 0.00 0.31 0.00 0.00 61.69 62.97 2djb s THR 37 Cb -0.13 -3.80 0.02 0.00 0.01 0.00 0.00 72.50 68.60 2djb s THR 37 CO 0.02 0.22 0.41 -0.36 -0.69 0.00 0.00 174.62 174.22 2djb s PHE 38 N -1.51 0.00 0.38 4.92 0.08 0.16 -4.76 117.98 117.25 2djb s PHE 38 Ca 0.41 -0.35 -0.03 0.00 0.12 0.00 0.00 56.93 57.08 2djb s PHE 38 Cb -0.16 0.22 -0.04 0.00 -0.57 0.00 0.00 43.02 42.47 2djb s PHE 38 CO 0.20 -0.78 0.64 0.00 -0.10 0.00 0.00 175.22 175.18 2djb h LYS 40 N 0.86 -0.65 -0.65 0.00 1.63 -1.94 0.38 116.57 116.21 2djb h LYS 40 Ca -0.48 0.04 0.08 0.00 -0.85 0.00 0.00 60.65 59.44 2djb h LYS 40 Cb 1.20 0.15 -0.04 0.00 -0.60 0.00 0.00 32.23 32.94 2djb h LYS 40 CO 0.63 -0.43 0.43 0.77 -3.45 0.00 0.00 179.45 177.40 2djb h SER 41 N -0.67 0.51 0.42 4.20 0.02 -1.96 0.27 113.55 116.34 2djb h SER 41 Ca -0.05 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2djb h SER 41 Cb 0.57 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.02 2djb h SER 41 CO -0.02 0.32 -0.20 0.00 -1.14 0.00 0.00 176.83 175.78 2djb h ILE 43 N -0.72 0.69 0.08 0.00 6.09 -0.10 0.42 117.51 123.97 2djb h ILE 43 Ca -0.06 0.00 -0.27 0.00 -1.37 0.00 0.00 64.86 63.16 2djb h ILE 43 Cb 0.44 0.98 -0.02 0.00 0.47 0.00 0.00 36.82 38.69 2djb h ILE 43 CO 0.10 0.00 -1.36 0.58 -3.07 0.00 0.00 178.15 174.40 2djb h VAL 44 N 0.00 1.33 0.04 2.19 2.07 -0.40 -2.68 116.25 118.80 2djb h VAL 44 Ca 0.01 -3.00 -0.24 0.00 0.82 0.00 0.00 66.70 64.30 2djb h VAL 44 Cb 0.06 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 2djb h VAL 44 CO -0.00 0.84 -1.12 -0.09 0.02 0.00 0.00 177.57 177.21 2djb h ARG 45 N 0.04 0.09 0.02 1.57 2.43 0.20 -3.16 114.38 115.57 2djb h ARG 45 Ca -0.17 -0.16 -0.25 0.00 -0.81 0.00 0.00 59.98 58.60 2djb h ARG 45 Cb 1.94 0.06 0.01 0.00 -0.42 0.00 0.00 29.97 31.57 2djb h ARG 45 CO 0.15 1.05 -1.01 1.25 -1.51 0.00 0.00 179.97 179.90 2djb h HIS 46 N 0.03 0.77 0.00 2.20 2.76 -0.32 -3.13 115.15 117.45 2djb h HIS 46 Ca -0.07 -0.43 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 2djb h HIS 46 Cb 1.85 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.73 2djb h HIS 46 CO 0.02 1.26 0.00 0.74 -1.30 0.00 0.00 177.93 178.65 2djb h PHE 47 N 0.27 0.00 -0.12 5.26 0.04 -1.42 0.67 116.94 121.65 2djb h PHE 47 Ca -0.11 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.55 2djb h PHE 47 Cb 1.66 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.81 2djb h PHE 47 CO 0.08 0.00 -0.36 1.88 -0.60 0.00 0.00 178.31 179.31 2djb h TYR 48 N 0.00 0.59 0.03 -0.55 0.05 -1.50 -3.38 116.97 112.22 2djb h TYR 48 Ca 0.00 -0.24 -0.37 0.00 0.05 0.00 0.00 58.73 58.17 2djb h TYR 48 Cb 0.43 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 38.01 2djb h TYR 48 CO 0.00 0.97 -2.15 0.66 -1.05 0.00 0.00 178.16 176.60 2djb n TYR 49 N -4.35 0.52 -4.07 4.88 4.01 -1.13 -4.89 117.16 112.13 2djb n TYR 49 Ca -0.07 0.15 -0.33 0.00 -0.16 0.00 0.00 57.90 57.49 2djb n TYR 49 Cb 0.51 -1.06 -0.15 0.00 -0.31 0.00 0.00 39.34 38.33 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 -6.96 3.62 -0.17 7.72 0.01 0.23 -5.00 113.70 113.15 2djb s SER 50 Ca -0.32 -0.80 -0.02 0.00 1.31 0.00 0.00 55.95 56.13 2djb s SER 50 Cb 0.09 -1.54 0.03 0.00 0.21 0.00 0.00 66.02 64.81 2djb s SER 50 CO 0.62 -0.05 2.42 -0.46 0.41 0.00 0.00 173.24 176.18 2djb n ASN 51 N 4.61 5.85 -3.84 2.44 6.94 -1.26 -3.14 115.26 126.86 2djb n ASN 51 Ca -0.19 -2.75 -0.10 0.00 -0.02 0.00 0.00 54.58 51.53 2djb n ASN 51 Cb 0.48 -1.18 -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 -0.64 0.77 0.02 -3.83 0.52 -1.26 -3.44 118.95 111.09 2djb s ARG 52 Ca 0.31 -0.77 -0.30 0.00 -0.52 0.00 0.00 55.73 54.44 2djb s ARG 52 Cb 0.19 0.32 -0.07 0.00 0.52 0.00 0.00 34.95 35.91 2djb s ARG 52 CO -0.03 -0.24 1.55 0.00 0.02 0.00 0.00 175.30 176.60 2djb n PRO 54 N 5.80 0.49 0.00 0.00 -0.04 -1.26 0.12 135.00 140.11 2djb n PRO 54 Ca 0.15 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 2djb n PRO 54 Cb 0.42 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.75 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 -0.63 0.00 0.05 0.54 3.00 -1.26 -4.78 118.16 115.08 2djb n LYS 55 Ca 0.03 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.46 2djb n LYS 55 Cb 0.01 -0.28 0.18 0.00 0.00 0.00 0.00 35.03 34.94 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 -2.00 -2.04 -4.33 0.00 5.03 0.12 -5.00 115.26 107.04 2djb n ASN 57 Ca 0.04 -0.25 -0.32 0.00 0.87 0.00 0.00 54.58 54.91 2djb n ASN 57 Cb 0.42 -2.39 -0.15 0.00 -1.02 0.00 0.00 39.78 36.64 2djb n ASN 57 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 2djb s ILE 58 N -3.15 2.55 -0.27 2.41 -4.36 -1.24 -4.75 121.20 112.40 2djb s ILE 58 Ca 0.00 -0.87 -0.29 0.00 -0.26 0.00 0.00 60.65 59.23 2djb s ILE 58 Cb -0.00 -2.00 -0.00 0.00 1.25 0.00 0.00 42.46 41.71 2djb s ILE 58 CO 0.30 0.56 1.32 0.54 0.24 0.00 0.00 174.94 177.89 2djb s VAL 59 N -0.02 4.13 -0.06 8.37 0.11 -1.26 0.22 120.40 131.89 2djb s VAL 59 Ca -0.06 1.29 -0.05 0.00 -2.93 0.00 0.00 61.98 60.23 2djb s VAL 59 Cb -0.15 -4.09 -0.04 0.00 -1.53 0.00 0.00 36.38 30.57 2djb s VAL 59 CO 0.05 -0.40 0.17 -0.69 -3.33 0.00 0.00 175.10 170.90 2djb s VAL 60 N 4.29 5.46 -0.50 2.04 1.01 -1.22 -4.98 120.40 126.49 2djb s VAL 60 Ca 0.57 0.04 -0.37 0.00 0.00 0.00 0.00 61.98 62.22 2djb s VAL 60 Cb -0.18 -3.48 -0.15 0.00 0.00 0.00 0.00 36.38 32.57 2djb s VAL 60 CO 0.22 0.46 2.27 1.57 0.00 0.00 0.00 175.10 179.62 2djb n HIS 61 N 1.43 1.30 -2.65 5.22 -0.00 -1.26 -4.90 115.22 114.37 2djb n HIS 61 Ca -0.15 0.43 -0.23 0.00 -0.00 0.00 0.00 57.72 57.77 2djb n HIS 61 Cb 0.54 -2.44 0.09 0.00 -0.00 0.00 0.00 29.99 28.18 2djb n HIS 61 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.34 177.48 2djb s GLN 62 N 6.71 1.84 -0.42 1.57 -2.07 -1.26 -5.07 119.66 120.96 2djb s GLN 62 Ca 1.16 -1.15 -0.14 0.00 -1.82 0.00 0.00 55.36 53.41 2djb s GLN 62 Cb -1.06 -2.39 0.04 0.00 -1.09 0.00 0.00 33.01 28.51 2djb s GLN 62 CO 0.52 -1.30 0.31 0.99 -1.32 0.00 0.00 175.29 174.49 2djb s THR 63 N -3.04 5.05 -0.07 3.63 2.01 -1.26 -5.07 115.64 116.89 2djb s THR 63 Ca 0.65 -0.86 -0.03 0.00 0.31 0.00 0.00 61.69 61.75 2djb s THR 63 Cb -0.06 -3.89 -0.04 0.00 0.01 0.00 0.00 72.50 68.53 2djb s THR 63 CO 0.43 -0.38 0.08 -1.58 -0.69 0.00 0.00 174.62 172.48 2djb s GLN 64 N 1.63 3.20 0.00 4.92 2.00 -1.26 -5.12 119.66 125.03 2djb s GLN 64 Ca 0.04 -0.32 0.00 0.00 -2.00 0.00 0.00 55.36 53.08 2djb s GLN 64 Cb -0.21 -2.97 0.00 0.00 0.80 0.00 0.00 33.01 30.63 2djb s GLN 64 CO 0.08 0.71 0.00 -0.35 -0.50 0.00 0.00 175.29 175.23 2djb n PRO 65 N 1.75 -0.17 -0.04 1.67 -0.04 -1.26 -4.97 135.00 131.94 2djb n PRO 65 Ca -0.17 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.15 2djb n PRO 65 Cb 0.54 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.91 2djb n PRO 65 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2djb h LEU 66 N 0.00 0.23 -8.67 1.53 -0.00 -2.05 -3.42 115.31 102.93 2djb h LEU 66 Ca 0.00 -0.56 -0.51 0.00 -0.00 0.00 0.00 57.88 56.81 2djb h LEU 66 Cb 0.00 -0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 40.58 2djb h LEU 66 CO 0.00 0.75 1.46 -0.55 -0.00 0.00 0.00 178.44 180.10 2djb s SER 67 N -6.05 5.11 0.00 -0.43 0.15 -1.26 -4.40 113.70 106.82 2djb s SER 67 Ca -0.15 1.01 0.00 0.00 0.70 0.00 0.00 55.95 57.51 2djb s SER 67 Cb 0.03 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.82 2djb s SER 67 CO 0.73 -2.38 0.00 0.61 1.20 0.00 0.00 173.24 173.40 2djb n GLY 68 N 5.77 -0.75 0.13 9.45 0.00 -1.26 -4.95 105.19 113.58 2djb n GLY 68 Ca 0.28 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 0.49 -0.06 1.61 -0.04 -1.26 -3.43 135.00 132.30 2djb n PRO 69 Ca 0.00 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 2djb n PRO 69 Cb 0.00 -1.06 -0.01 0.00 -0.04 0.00 0.00 33.50 32.39 2djb n PRO 69 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2djb h SER 70 N 0.14 0.00 -1.59 3.54 0.02 -1.93 -3.41 113.55 110.32 2djb h SER 70 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 2djb h SER 70 Cb 0.06 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.47 2djb h SER 70 CO 0.00 0.59 1.39 -0.94 -1.14 0.00 0.00 176.83 176.73 2djb s SER 71 N -5.45 6.66 0.00 3.07 1.04 -1.22 -5.17 113.70 112.62 2djb s SER 71 Ca -0.08 -1.96 0.00 0.00 0.48 0.00 0.00 55.95 54.39 2djb s SER 71 Cb 0.01 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.63 2djb s SER 71 CO 0.12 -1.24 0.00 0.61 0.98 0.00 0.00 173.24 173.71