#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 -0.45 0.26 1.61 0.15 -1.26 -5.18 113.70 108.83 2djb s SER 2 Ca 0.00 0.46 -0.21 0.00 0.70 0.00 0.00 55.95 56.90 2djb s SER 2 Cb 0.00 1.45 0.03 0.00 -1.71 0.00 0.00 66.02 65.78 2djb s SER 2 CO 0.00 -0.08 0.73 -0.55 1.20 0.00 0.00 173.24 174.53 2djb s SER 3 N 2.58 -0.28 -0.20 5.45 0.15 -1.26 -5.08 113.70 115.06 2djb s SER 3 Ca -0.01 -0.54 0.24 0.00 0.70 0.00 0.00 55.95 56.34 2djb s SER 3 Cb -0.07 0.70 0.49 0.00 -1.71 0.00 0.00 66.02 65.43 2djb s SER 3 CO -0.15 -1.28 1.12 0.61 1.20 0.00 0.00 173.24 174.74 2djb n GLY 4 N -0.45 1.61 3.26 9.45 0.00 -1.26 -5.08 105.19 112.71 2djb n GLY 4 Ca -0.05 -1.01 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 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 -3.41 -0.31 0.63 1.61 0.01 -1.26 -5.17 113.70 105.80 2djb s SER 5 Ca 0.29 0.47 -0.07 0.00 1.31 0.00 0.00 55.95 57.95 2djb s SER 5 Cb 0.34 0.56 0.02 0.00 0.21 0.00 0.00 66.02 67.15 2djb s SER 5 CO -0.07 -0.27 0.95 -0.44 0.41 0.00 0.00 173.24 173.81 2djb s SER 6 N -0.47 5.39 0.00 2.44 0.01 -1.26 -4.99 113.70 114.81 2djb s SER 6 Ca -0.06 0.69 0.00 0.00 1.31 0.00 0.00 55.95 57.89 2djb s SER 6 Cb -0.04 -1.58 0.00 0.00 0.21 0.00 0.00 66.02 64.61 2djb s SER 6 CO 0.02 -1.22 0.00 0.61 0.41 0.00 0.00 173.24 173.06 2djb n GLY 7 N -2.70 0.21 3.68 3.44 0.00 -1.26 -5.08 105.19 103.47 2djb n GLY 7 Ca 0.06 -1.10 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 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 7.08 -0.39 1.61 3.84 -1.26 -5.02 114.94 116.81 2djb s ASN 8 Ca 0.00 1.34 -0.00 0.00 0.21 0.00 0.00 52.86 54.41 2djb s ASN 8 Cb 0.00 -2.50 0.11 0.00 -0.55 0.00 0.00 41.25 38.30 2djb s ASN 8 CO 0.00 -0.45 0.15 -0.76 -2.79 0.00 0.00 177.10 173.25 2djb s LEU 9 N 2.22 5.04 -0.34 3.21 2.01 -1.26 -5.07 118.68 124.49 2djb s LEU 9 Ca 0.43 -2.13 -0.12 0.00 0.01 0.00 0.00 54.13 52.32 2djb s LEU 9 Cb -0.17 -1.75 -0.01 0.00 0.01 0.00 0.00 46.19 44.27 2djb s LEU 9 CO 0.14 -0.47 0.23 -0.44 1.01 0.00 0.00 176.35 176.81 2djb s SER 10 N 1.39 5.96 0.00 2.29 0.01 -1.26 -4.87 113.70 117.22 2djb s SER 10 Ca 0.10 -0.48 0.00 0.00 1.31 0.00 0.00 55.95 56.88 2djb s SER 10 Cb -0.21 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.91 2djb s SER 10 CO -0.06 -0.24 0.00 1.21 0.41 0.00 0.00 173.24 174.56 2djb n GLU 11 N 5.08 2.78 -0.84 12.44 0.00 -1.26 -4.73 120.64 134.11 2djb n GLU 11 Ca -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 56.98 2djb n GLU 11 Cb 0.49 -0.87 0.23 0.00 0.00 0.00 0.00 31.44 31.30 2djb n GLU 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2djb n LEU 12 N -1.54 4.93 -4.03 4.31 4.77 -1.26 -4.97 117.00 119.21 2djb n LEU 12 Ca 0.00 -3.46 -0.11 0.00 -0.03 0.00 0.00 56.01 52.41 2djb n LEU 12 Cb 0.32 -0.67 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 2djb n LEU 12 CO 0.00 1.00 -0.38 0.42 -1.33 0.00 0.00 177.39 177.10 2djb s THR 13 N -3.11 0.31 0.75 -5.08 -4.23 -1.26 -5.17 115.64 97.84 2djb s THR 13 Ca 0.48 -1.06 -0.13 0.00 -1.18 0.00 0.00 61.69 59.81 2djb s THR 13 Cb 0.41 -0.51 0.19 0.00 1.34 0.00 0.00 72.50 73.92 2djb s THR 13 CO 0.07 -0.49 0.66 -0.81 -0.54 0.00 0.00 174.62 173.50 2djb n PRO 14 N 1.41 -2.31 -2.84 3.99 -0.04 -1.26 -4.92 135.00 129.03 2djb n PRO 14 Ca -0.23 -1.06 -0.44 0.00 -0.04 0.00 0.00 63.50 61.74 2djb n PRO 14 Cb 0.55 -0.99 0.00 0.00 -0.04 0.00 0.00 33.50 33.02 2djb n PRO 14 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2djb n TYR 15 N -3.94 4.72 -0.02 0.54 4.11 -1.26 -4.76 117.16 116.54 2djb n TYR 15 Ca 0.09 -3.25 -0.16 0.00 -0.00 0.00 0.00 57.90 54.58 2djb n TYR 15 Cb 0.36 -2.21 -0.12 0.00 -0.00 0.00 0.00 39.34 37.37 2djb n TYR 15 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.86 177.68 2djb h ILE 16 N 4.62 1.58 -1.94 -3.48 5.03 -2.00 -3.46 117.51 117.84 2djb h ILE 16 Ca 0.34 -2.09 -0.38 0.00 -0.12 0.00 0.00 64.86 62.62 2djb h ILE 16 Cb 0.84 2.91 0.20 0.00 -3.03 0.00 0.00 36.82 37.75 2djb h ILE 16 CO 1.31 0.57 -1.09 0.18 -0.68 0.00 0.00 178.15 178.44 2djb n LEU 17 N -4.47 -2.14 -4.99 1.44 4.77 -1.26 -4.42 117.00 105.93 2djb n LEU 17 Ca -0.10 -0.19 -0.19 0.00 -0.03 0.00 0.00 56.01 55.49 2djb n LEU 17 Cb 0.54 -0.81 0.01 0.00 -2.33 0.00 0.00 43.42 40.84 2djb n LEU 17 CO 0.40 -3.01 0.20 0.00 -1.33 0.00 0.00 177.39 173.65 2djb n SER 19 N -1.96 1.82 -0.04 0.00 2.88 -1.26 -3.52 113.62 111.55 2djb n SER 19 Ca 0.05 -0.08 -0.01 0.00 -1.33 0.00 0.00 58.87 57.50 2djb n SER 19 Cb 0.59 0.06 -0.00 0.00 -0.75 0.00 0.00 64.21 64.10 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 0.00 0.00 2.46 2.04 -1.96 -3.38 117.51 116.67 2djb h ILE 20 Ca -0.48 -0.76 -0.07 0.00 1.00 0.00 0.00 64.86 64.55 2djb h ILE 20 Cb 1.85 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2djb h ILE 20 CO -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 178.15 177.73 2djb n LYS 22 N -3.15 -7.13 -4.10 0.00 4.76 -1.23 -4.97 118.16 102.34 2djb n LYS 22 Ca 0.02 0.83 -0.11 0.00 -2.87 0.00 0.00 58.31 56.19 2djb n LYS 22 Cb 0.66 -5.84 -0.08 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 -3.90 0.99 0.07 0.72 0.00 -1.26 -4.68 107.32 99.26 2djb s GLY 23 Ca 0.25 -1.30 -0.37 0.00 0.00 0.00 0.00 44.72 43.30 2djb s GLY 23 CO 0.72 -1.04 1.10 -1.72 0.00 0.00 0.00 173.10 172.16 2djb n TYR 24 N -0.31 0.88 -2.03 1.90 4.01 -1.26 -2.54 117.16 117.81 2djb n TYR 24 Ca -0.00 0.87 -0.41 0.00 -0.16 0.00 0.00 57.90 58.19 2djb n TYR 24 Cb 0.64 -2.18 -0.02 0.00 -0.31 0.00 0.00 39.34 37.47 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 0.56 4.39 -0.07 7.72 1.43 -1.26 -4.90 118.68 126.54 2djb s LEU 25 Ca 0.83 2.68 -0.06 0.00 -1.03 0.00 0.00 54.13 56.55 2djb s LEU 25 Cb -1.07 -3.63 -0.02 0.00 0.03 0.00 0.00 46.19 41.49 2djb s LEU 25 CO 0.53 -0.67 -0.12 -0.38 0.23 0.00 0.00 176.35 175.94 2djb n ILE 26 N 1.95 0.61 -0.02 -0.59 -0.00 -1.26 -4.75 119.36 115.29 2djb n ILE 26 Ca 0.05 0.36 -0.05 0.00 -0.00 0.00 0.00 62.75 63.11 2djb n ILE 26 Cb 0.41 -1.85 -0.13 0.00 -0.00 0.00 0.00 39.64 38.06 2djb n ILE 26 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2djb n ASP 27 N -3.28 0.61 -3.22 4.38 8.00 -1.26 -5.00 116.55 116.78 2djb n ASP 27 Ca -0.05 0.28 -0.15 0.00 0.71 0.00 0.00 54.79 55.58 2djb n ASP 27 Cb 0.18 0.37 0.08 0.00 -0.02 0.00 0.00 41.12 41.74 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 -2.53 -1.97 -2.59 2.24 0.00 -1.26 -4.89 120.51 109.51 2djb n ALA 28 Ca -0.18 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 52.84 2djb n ALA 28 Cb 0.98 -2.97 -0.03 0.00 0.00 0.00 0.00 19.45 17.44 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 -3.34 3.85 0.07 0.00 2.01 0.57 -4.78 115.64 114.03 2djb s THR 29 Ca 0.09 -0.07 -0.17 0.00 0.31 0.00 0.00 61.69 61.85 2djb s THR 29 Cb -0.01 -4.94 -0.07 0.00 0.01 0.00 0.00 72.50 67.49 2djb s THR 29 CO 0.68 -1.85 0.53 -0.89 -0.69 0.00 0.00 174.62 172.40 2djb s THR 30 N 5.30 4.82 0.42 -0.82 2.01 -1.26 -1.69 115.64 124.42 2djb s THR 30 Ca 0.37 1.07 -0.16 0.00 0.31 0.00 0.00 61.69 63.29 2djb s THR 30 Cb -0.06 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.53 2djb s THR 30 CO 0.06 0.51 0.87 -0.63 -0.69 0.00 0.00 174.62 174.74 2djb s ILE 31 N -1.16 4.59 -0.78 1.82 1.01 0.81 -4.91 121.20 122.58 2djb s ILE 31 Ca 0.29 1.09 0.22 0.00 0.00 0.00 0.00 60.65 62.26 2djb s ILE 31 Cb -0.18 -3.66 -0.17 0.00 0.01 0.00 0.00 42.46 38.45 2djb s ILE 31 CO 0.18 -0.44 0.97 0.41 0.00 0.00 0.00 174.94 176.06 2djb n THR 32 N -0.98 0.05 0.00 2.92 -1.04 -1.26 -2.87 114.28 111.10 2djb n THR 32 Ca 0.05 -0.13 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2djb n THR 32 Cb 0.54 0.54 0.00 0.00 -1.82 0.00 0.00 70.33 69.59 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 -1.72 0.00 0.01 -2.82 4.07 -1.26 -4.39 120.64 114.52 2djb n GLU 33 Ca 0.03 0.41 0.13 0.00 -0.06 0.00 0.00 57.16 57.66 2djb n GLU 33 Cb 0.39 -0.90 0.41 0.00 -0.06 0.00 0.00 31.44 31.28 2djb n GLU 33 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2djb n LEU 35 N -1.55 -4.19 -4.42 0.00 7.99 -1.14 -5.03 117.00 108.66 2djb n LEU 35 Ca 0.06 -0.56 -0.30 0.00 -0.01 0.00 0.00 56.01 55.20 2djb n LEU 35 Cb 0.34 -2.79 -0.13 0.00 -0.11 0.00 0.00 43.42 40.73 2djb n LEU 35 CO 0.31 0.25 -0.52 -1.00 -1.51 0.00 0.00 177.39 174.92 2djb s HIS 36 N -3.32 2.47 -0.09 -1.77 3.76 -1.24 -4.87 115.29 110.23 2djb s HIS 36 Ca 0.12 -0.31 -0.18 0.00 -0.15 0.00 0.00 55.06 54.54 2djb s HIS 36 Cb -0.02 -1.41 -0.04 0.00 1.11 0.00 0.00 32.58 32.22 2djb s HIS 36 CO 0.63 0.24 0.50 0.99 -0.85 0.00 0.00 174.74 176.24 2djb s THR 37 N -0.92 5.14 -0.19 1.30 2.01 -1.26 -0.13 115.64 121.58 2djb s THR 37 Ca 0.14 1.00 -0.10 0.00 0.31 0.00 0.00 61.69 63.04 2djb s THR 37 Cb -0.10 -3.83 0.07 0.00 0.01 0.00 0.00 72.50 68.64 2djb s THR 37 CO 0.05 0.35 0.46 -0.36 -0.69 0.00 0.00 174.62 174.43 2djb s PHE 38 N 0.41 -0.71 0.95 4.92 0.08 -0.68 -4.78 117.98 118.18 2djb s PHE 38 Ca 0.27 1.47 -0.11 0.00 0.12 0.00 0.00 56.93 58.67 2djb s PHE 38 Cb -0.16 0.34 0.17 0.00 -0.57 0.00 0.00 43.02 42.80 2djb s PHE 38 CO 0.12 -0.39 0.36 0.00 -0.10 0.00 0.00 175.22 175.21 2djb h LYS 40 N -2.71 0.00 0.00 0.00 1.63 -1.90 -2.70 116.57 110.89 2djb h LYS 40 Ca -0.19 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2djb h LYS 40 Cb 0.63 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 2djb h LYS 40 CO 0.11 0.00 0.00 1.03 -3.45 0.00 0.00 179.45 177.14 2djb h SER 41 N -0.67 0.00 0.07 4.20 0.87 -1.96 0.46 113.55 116.52 2djb h SER 41 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2djb h SER 41 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 2djb h SER 41 CO 0.00 0.00 -0.03 0.00 -0.53 0.00 0.00 176.83 176.27 2djb h ILE 43 N -1.02 1.28 0.00 0.00 6.09 -1.23 0.38 117.51 123.01 2djb h ILE 43 Ca -0.01 -1.52 -0.07 0.00 -1.37 0.00 0.00 64.86 61.89 2djb h ILE 43 Cb 0.16 1.35 -0.01 0.00 0.47 0.00 0.00 36.82 38.79 2djb h ILE 43 CO 0.02 0.51 -0.34 1.62 -3.07 0.00 0.00 178.15 176.89 2djb h VAL 44 N 0.73 1.13 0.02 2.19 3.04 -0.25 -2.97 116.25 120.14 2djb h VAL 44 Ca 0.07 -1.19 -0.22 0.00 -1.01 0.00 0.00 66.70 64.35 2djb h VAL 44 Cb 0.92 1.66 -0.03 0.00 -2.01 0.00 0.00 31.29 31.84 2djb h VAL 44 CO 0.09 0.33 -1.19 -0.09 -1.01 0.00 0.00 177.57 175.69 2djb h ARG 45 N 0.00 0.04 -0.79 4.17 2.43 -1.26 -3.35 114.38 115.62 2djb h ARG 45 Ca -0.00 -0.07 0.23 0.00 -0.81 0.00 0.00 59.98 59.32 2djb h ARG 45 Cb 0.64 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 2djb h ARG 45 CO 0.04 1.03 0.75 1.25 -1.51 0.00 0.00 179.97 181.54 2djb h HIS 46 N -0.86 0.00 -0.01 2.20 2.76 -0.26 0.94 115.15 119.93 2djb h HIS 46 Ca -0.31 0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 57.69 2djb h HIS 46 Cb 1.37 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.31 2djb h HIS 46 CO 0.12 0.00 -0.78 0.74 -1.30 0.00 0.00 177.93 176.71 2djb h PHE 47 N 0.00 0.18 -0.54 5.26 0.04 -1.51 0.46 116.94 120.83 2djb h PHE 47 Ca 0.38 -0.09 -0.03 0.00 2.80 0.00 0.00 57.97 61.03 2djb h PHE 47 Cb 1.87 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 39.97 2djb h PHE 47 CO 0.00 0.85 0.21 1.88 -0.60 0.00 0.00 178.31 180.64 2djb h TYR 48 N 0.08 0.78 0.02 -0.55 0.05 0.80 -3.26 116.97 114.89 2djb h TYR 48 Ca -0.02 -0.04 -0.39 0.00 0.05 0.00 0.00 58.73 58.33 2djb h TYR 48 Cb 1.36 -0.24 -0.06 0.00 1.01 0.00 0.00 36.73 38.80 2djb h TYR 48 CO 0.02 0.62 -2.24 0.66 -1.05 0.00 0.00 178.16 176.16 2djb n TYR 49 N -4.33 0.38 -3.89 4.88 4.01 -1.17 -4.91 117.16 112.13 2djb n TYR 49 Ca 0.04 0.11 -0.28 0.00 -0.16 0.00 0.00 57.90 57.62 2djb n TYR 49 Cb 0.17 -1.05 -0.16 0.00 -0.31 0.00 0.00 39.34 37.99 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 -6.97 2.77 0.00 7.72 0.15 0.16 -5.01 113.70 112.52 2djb s SER 50 Ca -0.33 -0.62 -0.01 0.00 0.70 0.00 0.00 55.95 55.68 2djb s SER 50 Cb 0.10 -0.91 -0.05 0.00 -1.71 0.00 0.00 66.02 63.45 2djb s SER 50 CO 0.60 -0.18 2.06 -0.46 1.20 0.00 0.00 173.24 176.46 2djb n ASN 51 N 4.88 4.62 -3.47 5.45 6.94 -1.24 -3.30 115.26 129.14 2djb n ASN 51 Ca -0.12 -2.25 -0.16 0.00 -0.02 0.00 0.00 54.58 52.03 2djb n ASN 51 Cb 0.48 -1.04 -0.07 0.00 -2.36 0.00 0.00 39.78 36.80 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 0.48 1.73 -0.15 -3.83 0.52 -1.26 -3.36 118.95 113.08 2djb s ARG 52 Ca 0.13 -1.81 -0.15 0.00 -0.52 0.00 0.00 55.73 53.38 2djb s ARG 52 Cb 0.06 0.38 -0.05 0.00 0.52 0.00 0.00 34.95 35.86 2djb s ARG 52 CO 0.00 -0.67 0.34 0.00 0.02 0.00 0.00 175.30 174.99 2djb n PRO 54 N 3.55 0.49 0.00 0.00 -0.04 -1.26 0.02 135.00 137.76 2djb n PRO 54 Ca -0.11 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.35 2djb n PRO 54 Cb 0.52 -1.10 -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 1.17 -0.04 0.00 0.00 175.50 176.63 2djb n LYS 55 N -0.60 0.02 0.11 0.54 4.81 -1.26 -4.84 118.16 116.93 2djb n LYS 55 Ca 0.02 0.01 0.12 0.00 -0.87 0.00 0.00 58.31 57.58 2djb n LYS 55 Cb 0.01 -0.18 0.01 0.00 0.02 0.00 0.00 35.03 34.89 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 -2.68 -3.47 -4.40 0.00 5.15 0.10 -4.95 115.26 105.02 2djb n ASN 57 Ca 0.00 -0.44 -0.32 0.00 -0.60 0.00 0.00 54.58 53.22 2djb n ASN 57 Cb 0.55 -3.58 -0.14 0.00 -0.53 0.00 0.00 39.78 36.07 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 -3.25 2.73 -0.83 -1.44 -4.36 -1.26 -4.70 121.20 108.08 2djb s ILE 58 Ca 0.14 -0.84 -0.26 0.00 -0.26 0.00 0.00 60.65 59.44 2djb s ILE 58 Cb -0.02 -2.05 -0.13 0.00 1.25 0.00 0.00 42.46 41.51 2djb s ILE 58 CO 0.48 0.58 2.33 -0.69 0.24 0.00 0.00 174.94 177.88 2djb s VAL 59 N -0.47 3.07 -0.05 8.37 1.01 -1.26 -2.63 120.40 128.44 2djb s VAL 59 Ca 0.06 -0.06 -0.22 0.00 0.00 0.00 0.00 61.98 61.76 2djb s VAL 59 Cb -0.12 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2djb s VAL 59 CO 0.01 -0.14 0.64 -0.69 0.00 0.00 0.00 175.10 174.93 2djb s VAL 60 N 14.44 5.00 1.38 2.92 1.01 -1.21 -5.01 120.40 138.93 2djb s VAL 60 Ca 0.89 1.33 -0.20 0.00 0.00 0.00 0.00 61.98 63.99 2djb s VAL 60 Cb -0.11 -3.98 0.35 0.00 0.00 0.00 0.00 36.38 32.64 2djb s VAL 60 CO 0.08 0.32 0.94 -1.00 0.00 0.00 0.00 175.10 175.44 2djb s HIS 61 N 0.42 -0.17 -0.24 5.22 3.76 -1.26 -4.76 115.29 118.27 2djb s HIS 61 Ca 0.34 0.75 -0.01 0.00 -0.15 0.00 0.00 55.06 55.99 2djb s HIS 61 Cb -0.18 -2.90 0.07 0.00 1.11 0.00 0.00 32.58 30.68 2djb s HIS 61 CO 0.17 -4.81 0.02 -1.14 -0.85 0.00 0.00 174.74 168.13 2djb s GLN 62 N -4.85 1.01 0.10 1.40 2.00 -1.26 -5.10 119.66 112.95 2djb s GLN 62 Ca 0.68 -0.79 0.08 0.00 -2.00 0.00 0.00 55.36 53.33 2djb s GLN 62 Cb -0.17 -2.27 -0.03 0.00 0.80 0.00 0.00 33.01 31.33 2djb s GLN 62 CO 0.60 -0.71 -0.19 0.95 -0.50 0.00 0.00 175.29 175.44 2djb s THR 63 N 1.63 1.59 0.08 -0.34 -4.23 -1.26 -5.15 115.64 107.95 2djb s THR 63 Ca 0.00 -1.50 0.04 0.00 -1.18 0.00 0.00 61.69 59.05 2djb s THR 63 Cb -0.18 -1.46 -0.03 0.00 1.34 0.00 0.00 72.50 72.17 2djb s THR 63 CO -0.11 -0.10 -0.11 0.00 -0.54 0.00 0.00 174.62 173.76 2djb s GLN 64 N -1.89 0.77 0.97 3.99 -2.07 -1.26 -5.16 119.66 115.02 2djb s GLN 64 Ca 0.05 -1.02 -0.12 0.00 -1.82 0.00 0.00 55.36 52.45 2djb s GLN 64 Cb -0.10 -0.57 0.17 0.00 -1.09 0.00 0.00 33.01 31.42 2djb s GLN 64 CO 0.04 0.11 1.09 -1.25 -1.32 0.00 0.00 175.29 173.96 2djb s PRO 65 N -2.23 0.65 -0.58 9.60 0.04 -1.26 -4.97 135.00 136.26 2djb s PRO 65 Ca 0.00 0.61 0.01 0.00 0.04 0.00 0.00 61.00 61.66 2djb s PRO 65 Cb -0.06 -1.76 0.44 0.00 0.04 0.00 0.00 34.50 33.16 2djb s PRO 65 CO 0.01 -2.60 1.77 -0.11 0.04 0.00 0.00 177.00 176.10 2djb n LEU 66 N -4.10 6.81 -4.35 -3.56 7.94 -1.26 -4.98 117.00 113.50 2djb n LEU 66 Ca 0.06 -4.51 -0.28 0.00 -1.11 0.00 0.00 56.01 50.17 2djb n LEU 66 Cb 0.57 -0.79 -0.13 0.00 0.53 0.00 0.00 43.42 43.59 2djb n LEU 66 CO 0.57 1.71 -0.55 -0.44 -1.11 0.00 0.00 177.39 177.56 2djb s SER 67 N -2.31 3.04 0.36 1.96 0.01 -1.26 -5.12 113.70 110.38 2djb s SER 67 Ca 0.59 -0.70 -0.26 0.00 1.31 0.00 0.00 55.95 56.89 2djb s SER 67 Cb 0.47 -0.20 -0.09 0.00 0.21 0.00 0.00 66.02 66.41 2djb s SER 67 CO -0.05 0.15 1.10 -0.83 0.41 0.00 0.00 173.24 174.03 2djb s GLY 68 N -1.89 2.88 0.00 3.44 0.00 -1.26 -4.90 107.32 105.60 2djb s GLY 68 Ca 0.11 0.84 0.00 0.00 0.00 0.00 0.00 44.72 45.68 2djb s GLY 68 CO 0.05 1.35 0.45 -1.55 0.00 0.00 0.00 173.10 173.40 2djb n PRO 69 N 0.39 0.49 -0.60 2.90 -0.04 -1.26 -4.86 135.00 132.02 2djb n PRO 69 Ca 0.03 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.35 2djb n PRO 69 Cb 0.47 -1.04 -0.07 0.00 -0.04 0.00 0.00 33.50 32.82 2djb n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2djb n SER 70 N -0.36 -0.13 -5.02 3.54 2.88 -1.26 -4.84 113.62 108.43 2djb n SER 70 Ca 0.00 -0.03 -0.19 0.00 -1.33 0.00 0.00 58.87 57.32 2djb n SER 70 Cb 0.02 -0.32 0.04 0.00 -0.75 0.00 0.00 64.21 63.21 2djb n SER 70 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2djb s SER 71 N 2.38 5.26 0.00 -3.46 0.01 -1.26 -5.29 113.70 111.35 2djb s SER 71 Ca 0.54 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 57.08 2djb s SER 71 Cb -0.45 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 65.76 2djb s SER 71 CO 0.21 -1.14 0.00 0.61 0.41 0.00 0.00 173.24 173.33