#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 -0.35 0.21 1.61 1.04 -1.26 -5.19 113.70 109.77 2djb s SER 2 Ca 0.00 0.52 -0.22 0.00 0.48 0.00 0.00 55.95 56.73 2djb s SER 2 Cb 0.00 0.48 0.04 0.00 0.10 0.00 0.00 66.02 66.64 2djb s SER 2 CO 0.00 -0.22 0.72 -0.55 0.98 0.00 0.00 173.24 174.17 2djb s SER 3 N -0.50 -0.35 -0.26 7.02 0.15 -1.26 -5.18 113.70 113.32 2djb s SER 3 Ca 0.02 -0.37 -0.28 0.00 0.70 0.00 0.00 55.95 56.02 2djb s SER 3 Cb -0.03 0.64 0.17 0.00 -1.71 0.00 0.00 66.02 65.10 2djb s SER 3 CO -0.04 -1.15 1.26 -0.83 1.20 0.00 0.00 173.24 173.69 2djb s GLY 4 N -2.85 0.05 -0.18 9.45 0.00 -1.26 -5.18 107.32 107.35 2djb s GLY 4 Ca 0.08 2.83 -0.30 0.00 0.00 0.00 0.00 44.72 47.33 2djb s GLY 4 CO -0.00 1.42 1.05 -0.45 0.00 0.00 0.00 173.10 175.11 2djb s SER 5 N -0.59 -0.33 0.35 1.64 0.15 -1.26 -5.19 113.70 108.47 2djb s SER 5 Ca 0.05 0.38 0.04 0.00 0.70 0.00 0.00 55.95 57.13 2djb s SER 5 Cb -0.02 0.30 -0.06 0.00 -1.71 0.00 0.00 66.02 64.52 2djb s SER 5 CO -0.08 -0.29 0.06 -0.55 1.20 0.00 0.00 173.24 173.58 2djb s SER 6 N -1.01 2.62 0.00 5.45 0.15 -1.26 -5.17 113.70 114.49 2djb s SER 6 Ca -0.00 -1.41 -0.00 0.00 0.70 0.00 0.00 55.95 55.24 2djb s SER 6 Cb -0.01 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.24 2djb s SER 6 CO -0.00 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 174.43 2djb n GLY 7 N -0.75 2.51 3.15 9.45 0.00 -1.26 -5.19 105.19 113.10 2djb n GLY 7 Ca -0.03 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.71 2djb n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2djb s ASN 8 N -1.00 0.07 0.22 1.61 2.20 -1.26 -5.17 114.94 111.61 2djb s ASN 8 Ca 0.00 -0.38 0.06 0.00 -0.94 0.00 0.00 52.86 51.60 2djb s ASN 8 Cb -0.00 0.25 -0.03 0.00 -2.00 0.00 0.00 41.25 39.47 2djb s ASN 8 CO 0.00 -0.50 0.24 -0.76 -2.94 0.00 0.00 177.10 173.14 2djb s LEU 9 N -1.93 4.02 0.35 3.54 2.01 -1.26 -5.11 118.68 120.30 2djb s LEU 9 Ca -0.07 -0.09 -0.09 0.00 0.01 0.00 0.00 54.13 53.89 2djb s LEU 9 Cb -0.03 -2.57 -0.06 0.00 0.01 0.00 0.00 46.19 43.54 2djb s LEU 9 CO -0.03 -0.02 0.69 -0.44 1.01 0.00 0.00 176.35 177.56 2djb s SER 10 N -3.69 6.53 -0.13 2.29 0.01 -1.26 -5.02 113.70 112.44 2djb s SER 10 Ca 0.33 1.02 -0.00 0.00 1.31 0.00 0.00 55.95 58.60 2djb s SER 10 Cb -0.09 -2.27 -0.08 0.00 0.21 0.00 0.00 66.02 63.79 2djb s SER 10 CO 0.26 -0.30 -0.13 -0.62 0.41 0.00 0.00 173.24 172.87 2djb n GLU 11 N -1.01 0.32 -3.32 12.44 1.02 -1.26 -4.98 120.64 123.85 2djb n GLU 11 Ca 0.01 0.08 -0.08 0.00 -0.02 0.00 0.00 57.16 57.15 2djb n GLU 11 Cb 0.54 -1.22 -0.07 0.00 -0.02 0.00 0.00 31.44 30.67 2djb n GLU 11 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2djb s LEU 12 N -5.92 -0.75 0.03 -4.62 1.43 -1.26 -5.15 118.68 102.44 2djb s LEU 12 Ca -0.18 -0.04 -0.09 0.00 -1.03 0.00 0.00 54.13 52.79 2djb s LEU 12 Cb 0.05 1.17 0.00 0.00 0.03 0.00 0.00 46.19 47.44 2djb s LEU 12 CO 0.29 -0.32 0.18 0.42 0.23 0.00 0.00 176.35 177.14 2djb s THR 13 N 2.56 0.10 0.00 5.49 -4.23 -1.26 -5.17 115.64 113.13 2djb s THR 13 Ca 0.12 -0.86 0.00 0.00 -1.18 0.00 0.00 61.69 59.76 2djb s THR 13 Cb -0.14 -0.81 0.00 0.00 1.34 0.00 0.00 72.50 72.90 2djb s THR 13 CO -0.23 -0.47 0.00 -0.81 -0.54 0.00 0.00 174.62 172.56 2djb n PRO 14 N 0.87 0.22 -0.90 3.99 -0.04 -1.26 -4.85 135.00 133.03 2djb n PRO 14 Ca -0.20 0.00 -0.12 0.00 -0.04 0.00 0.00 63.50 63.14 2djb n PRO 14 Cb 0.58 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.00 2djb n PRO 14 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2djb n TYR 15 N -1.28 0.74 -3.16 0.54 4.01 -1.26 -4.61 117.16 112.15 2djb n TYR 15 Ca 0.00 -1.57 -0.33 0.00 -0.16 0.00 0.00 57.90 55.84 2djb n TYR 15 Cb 0.00 -1.04 -0.04 0.00 -0.31 0.00 0.00 39.34 37.96 2djb n TYR 15 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 2djb n ILE 16 N 1.26 3.74 -4.30 -0.72 5.41 -1.26 -5.02 119.36 118.47 2djb n ILE 16 Ca 0.27 -5.57 -0.15 0.00 1.00 0.00 0.00 62.75 58.30 2djb n ILE 16 Cb 0.62 -1.95 -0.04 0.00 -0.71 0.00 0.00 39.64 37.56 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 0.77 0.00 -4.54 1.39 4.77 -1.26 -4.51 117.00 113.62 2djb n LEU 17 Ca 0.30 -1.85 -0.25 0.00 -0.03 0.00 0.00 56.01 54.18 2djb n LEU 17 Cb 0.37 0.61 -0.11 0.00 -2.33 0.00 0.00 43.42 41.97 2djb n LEU 17 CO 0.51 -0.29 -0.33 0.00 -1.33 0.00 0.00 177.39 175.96 2djb n SER 19 N -0.81 2.68 -0.09 0.00 7.64 -1.26 -3.49 113.62 118.29 2djb n SER 19 Ca -0.05 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.68 2djb n SER 19 Cb 0.65 1.15 -0.08 0.00 -1.01 0.00 0.00 64.21 64.92 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 0.71 -0.15 0.44 2.04 -1.97 -3.40 117.51 115.18 2djb h ILE 20 Ca -0.11 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 63.93 2djb h ILE 20 Cb 0.94 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.65 2djb h ILE 20 CO 0.01 0.24 0.00 0.00 0.00 0.00 0.00 178.15 178.40 2djb n LYS 22 N 0.39 -2.70 -3.33 0.00 5.02 -1.23 -4.88 118.16 111.43 2djb n LYS 22 Ca 0.07 0.10 -0.20 0.00 -2.02 0.00 0.00 58.31 56.26 2djb n LYS 22 Cb 0.31 -4.57 -0.00 0.00 -0.02 0.00 0.00 35.03 30.75 2djb n LYS 22 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2djb s GLY 23 N -1.93 2.04 0.47 0.72 0.00 -1.26 -4.40 107.32 102.96 2djb s GLY 23 Ca 0.00 -1.79 -0.24 0.00 0.00 0.00 0.00 44.72 42.69 2djb s GLY 23 CO 0.00 -1.65 1.35 -0.19 0.00 0.00 0.00 173.10 172.60 2djb s TYR 24 N -2.50 2.53 -0.16 1.90 1.51 -1.26 -2.95 117.35 116.43 2djb s TYR 24 Ca 0.51 1.36 -0.21 0.00 -1.01 0.00 0.00 57.07 57.73 2djb s TYR 24 Cb -0.06 -3.76 -0.03 0.00 -0.11 0.00 0.00 41.96 38.00 2djb s TYR 24 CO 0.31 -2.56 0.61 -0.51 -1.11 0.00 0.00 175.55 172.28 2djb s LEU 25 N -2.95 4.20 -0.18 -1.29 1.43 -1.26 -4.97 118.68 113.65 2djb s LEU 25 Ca 0.64 0.90 -0.18 0.00 -1.03 0.00 0.00 54.13 54.46 2djb s LEU 25 Cb -0.40 -2.89 -0.14 0.00 0.03 0.00 0.00 46.19 42.80 2djb s LEU 25 CO 0.49 -0.19 0.11 0.40 0.23 0.00 0.00 176.35 177.39 2djb h ILE 26 N 5.01 0.64 0.00 -0.59 1.08 -1.97 -3.41 117.51 118.27 2djb h ILE 26 Ca -0.35 -1.80 -0.29 0.00 -0.39 0.00 0.00 64.86 62.03 2djb h ILE 26 Cb 1.16 1.54 -0.05 0.00 -3.07 0.00 0.00 36.82 36.40 2djb h ILE 26 CO 0.77 0.22 -1.77 -0.67 -0.69 0.00 0.00 178.15 176.01 2djb n ASP 27 N -4.50 0.76 -2.91 1.72 2.03 -1.26 -5.01 116.55 107.38 2djb n ASP 27 Ca -0.23 0.36 -0.13 0.00 0.52 0.00 0.00 54.79 55.31 2djb n ASP 27 Cb 0.54 0.09 0.06 0.00 -0.72 0.00 0.00 41.12 41.09 2djb n ASP 27 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2djb n ALA 28 N -2.56 -1.85 -2.46 -1.67 0.00 -1.26 -4.92 120.51 105.79 2djb n ALA 28 Ca -0.18 0.03 -0.41 0.00 0.00 0.00 0.00 53.44 52.88 2djb n ALA 28 Cb 1.05 -3.38 -0.03 0.00 0.00 0.00 0.00 19.45 17.09 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 3.74 0.29 0.00 2.01 -1.23 -4.89 115.64 112.25 2djb s THR 29 Ca 0.18 0.52 -0.05 0.00 0.31 0.00 0.00 61.69 62.65 2djb s THR 29 Cb -0.02 -4.67 -0.05 0.00 0.01 0.00 0.00 72.50 67.76 2djb s THR 29 CO 0.58 -1.52 0.56 -0.89 -0.69 0.00 0.00 174.62 172.66 2djb s THR 30 N 6.07 5.01 -0.81 -0.82 2.01 -1.26 -1.30 115.64 124.54 2djb s THR 30 Ca 0.44 0.10 -0.03 0.00 0.31 0.00 0.00 61.69 62.51 2djb s THR 30 Cb -0.09 -3.72 0.20 0.00 0.01 0.00 0.00 72.50 68.90 2djb s THR 30 CO 0.19 -0.30 0.68 -0.63 -0.69 0.00 0.00 174.62 173.87 2djb s ILE 31 N -2.07 4.25 0.22 1.82 1.01 0.23 -4.92 121.20 121.74 2djb s ILE 31 Ca 0.44 -3.52 0.11 0.00 0.00 0.00 0.00 60.65 57.68 2djb s ILE 31 Cb -0.11 -3.67 0.21 0.00 0.01 0.00 0.00 42.46 38.90 2djb s ILE 31 CO 0.29 -1.02 0.93 0.41 0.00 0.00 0.00 174.94 175.55 2djb n THR 32 N 2.76 -0.25 -0.16 2.92 -1.04 -1.26 0.11 114.28 117.36 2djb n THR 32 Ca 0.17 1.21 -0.13 0.00 -2.04 0.00 0.00 64.05 63.27 2djb n THR 32 Cb 0.38 -1.95 -0.09 0.00 -1.82 0.00 0.00 70.33 66.85 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 -0.32 -0.16 -2.82 4.57 -1.96 -2.73 114.58 111.15 2djb h GLU 33 Ca 0.49 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.67 2djb h GLU 33 Cb 1.27 0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.92 2djb h GLU 33 CO -0.47 -0.22 -0.02 0.00 -1.18 0.00 0.00 179.01 177.12 2djb n LEU 35 N -0.93 -0.77 -4.80 0.00 4.32 0.30 -4.89 117.00 110.23 2djb n LEU 35 Ca 0.20 -0.76 -0.36 0.00 -0.02 0.00 0.00 56.01 55.08 2djb n LEU 35 Cb 0.81 -1.55 -0.07 0.00 -1.62 0.00 0.00 43.42 40.99 2djb n LEU 35 CO 0.10 0.10 -0.20 -1.00 -1.22 0.00 0.00 177.39 175.16 2djb s HIS 36 N -2.94 3.47 -0.03 -1.77 3.76 -1.20 -4.78 115.29 111.80 2djb s HIS 36 Ca 0.60 0.40 -0.08 0.00 -0.15 0.00 0.00 55.06 55.83 2djb s HIS 36 Cb -0.35 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.32 2djb s HIS 36 CO 0.74 0.56 0.26 0.99 -0.85 0.00 0.00 174.74 176.44 2djb s THR 37 N -0.62 5.30 -0.23 1.30 2.01 -1.26 0.76 115.64 122.90 2djb s THR 37 Ca 0.12 0.31 -0.06 0.00 0.31 0.00 0.00 61.69 62.37 2djb s THR 37 Cb -0.12 -3.55 0.11 0.00 0.01 0.00 0.00 72.50 68.96 2djb s THR 37 CO 0.02 0.47 0.45 -0.36 -0.69 0.00 0.00 174.62 174.52 2djb s PHE 38 N -1.19 -0.93 0.04 4.92 0.08 -0.42 -4.70 117.98 115.78 2djb s PHE 38 Ca 0.24 1.50 -0.32 0.00 0.12 0.00 0.00 56.93 58.47 2djb s PHE 38 Cb -0.14 0.33 -0.16 0.00 -0.57 0.00 0.00 43.02 42.48 2djb s PHE 38 CO 0.12 -0.58 0.79 0.00 -0.10 0.00 0.00 175.22 175.45 2djb n LYS 40 N 1.17 -0.31 -0.17 0.00 0.00 -1.26 0.38 118.16 117.97 2djb n LYS 40 Ca 0.17 1.22 -0.03 0.00 0.00 0.00 0.00 58.31 59.67 2djb n LYS 40 Cb 0.11 -1.80 0.06 0.00 0.00 0.00 0.00 35.03 33.39 2djb n LYS 40 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2djb h SER 41 N 0.00 0.31 0.30 3.14 4.64 -1.97 -0.30 113.55 119.67 2djb h SER 41 Ca 0.11 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.46 2djb h SER 41 Cb 0.29 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2djb h SER 41 CO -0.67 0.21 -0.21 0.00 -0.87 0.00 0.00 176.83 175.29 2djb h ILE 43 N -0.49 0.40 0.00 0.00 6.09 -0.00 0.51 117.51 124.01 2djb h ILE 43 Ca -0.04 0.00 -0.25 0.00 -1.37 0.00 0.00 64.86 63.20 2djb h ILE 43 Cb 0.40 0.58 -0.04 0.00 0.47 0.00 0.00 36.82 38.23 2djb h ILE 43 CO 0.02 0.00 -1.36 0.58 -3.07 0.00 0.00 178.15 174.32 2djb h VAL 44 N 0.00 1.23 0.11 2.19 2.07 -0.42 -3.19 116.25 118.25 2djb h VAL 44 Ca 0.27 -3.01 -0.27 0.00 0.82 0.00 0.00 66.70 64.51 2djb h VAL 44 Cb 1.36 2.60 -0.00 0.00 -1.52 0.00 0.00 31.29 33.74 2djb h VAL 44 CO -0.00 0.70 -1.27 -0.09 0.02 0.00 0.00 177.57 176.93 2djb h ARG 45 N 0.00 0.24 0.00 1.57 2.43 0.56 -3.24 114.38 115.95 2djb h ARG 45 Ca -0.15 -0.41 -0.09 0.00 -0.81 0.00 0.00 59.98 58.51 2djb h ARG 45 Cb 1.88 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 31.57 2djb h ARG 45 CO 0.10 1.18 -0.45 1.25 -1.51 0.00 0.00 179.97 180.54 2djb h HIS 46 N 0.07 0.00 0.00 2.20 2.76 -0.44 -2.73 115.15 117.01 2djb h HIS 46 Ca -0.14 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 57.94 2djb h HIS 46 Cb 1.96 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.91 2djb h HIS 46 CO 0.06 0.45 -0.41 0.74 -1.30 0.00 0.00 177.93 177.47 2djb h PHE 47 N 0.00 0.00 -0.65 5.26 0.04 -1.53 0.49 116.94 120.55 2djb h PHE 47 Ca -0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 2djb h PHE 47 Cb 0.84 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 2djb h PHE 47 CO 0.00 0.41 0.05 1.88 -0.60 0.00 0.00 178.31 180.06 2djb h TYR 48 N 0.00 1.19 0.05 -0.55 0.05 -1.51 -3.31 116.97 112.89 2djb h TYR 48 Ca -0.00 -0.19 -0.37 0.00 0.05 0.00 0.00 58.73 58.22 2djb h TYR 48 Cb 0.95 -0.32 -0.04 0.00 1.01 0.00 0.00 36.73 38.33 2djb h TYR 48 CO 0.00 1.02 -2.12 0.66 -1.05 0.00 0.00 178.16 176.67 2djb n TYR 49 N -4.19 0.63 -3.85 4.88 4.01 -1.18 -4.90 117.16 112.55 2djb n TYR 49 Ca 0.04 0.17 -0.26 0.00 -0.16 0.00 0.00 57.90 57.68 2djb n TYR 49 Cb 0.32 -1.08 -0.17 0.00 -0.31 0.00 0.00 39.34 38.11 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 -6.92 2.34 0.00 7.72 0.15 0.17 -5.01 113.70 112.15 2djb s SER 50 Ca -0.30 -0.43 -0.00 0.00 0.70 0.00 0.00 55.95 55.92 2djb s SER 50 Cb 0.09 -0.75 -0.02 0.00 -1.71 0.00 0.00 66.02 63.62 2djb s SER 50 CO 0.65 -0.18 2.08 -3.20 1.20 0.00 0.00 173.24 173.79 2djb n ASN 51 N 4.98 5.22 -3.52 5.45 5.15 -1.25 -3.18 115.26 128.11 2djb n ASN 51 Ca -0.11 -2.38 -0.22 0.00 -0.60 0.00 0.00 54.58 51.27 2djb n ASN 51 Cb 0.49 -1.13 -0.08 0.00 -0.53 0.00 0.00 39.78 38.53 2djb n ASN 51 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2djb s ARG 52 N 0.12 1.84 -0.20 1.20 0.52 -1.26 -2.82 118.95 118.35 2djb s ARG 52 Ca 0.05 -2.09 -0.13 0.00 -0.52 0.00 0.00 55.73 53.04 2djb s ARG 52 Cb 0.02 0.08 -0.05 0.00 0.52 0.00 0.00 34.95 35.53 2djb s ARG 52 CO 0.00 -0.63 0.27 0.00 0.02 0.00 0.00 175.30 174.97 2djb n PRO 54 N 4.09 0.49 0.00 0.00 -0.04 -1.26 0.07 135.00 138.34 2djb n PRO 54 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2djb n PRO 54 Cb 0.52 -1.04 0.00 0.00 -0.04 0.00 0.00 33.50 32.94 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 -0.37 0.00 0.00 0.54 3.00 -1.26 -4.81 118.16 115.26 2djb n LYS 55 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.43 2djb n LYS 55 Cb 0.02 -0.12 0.24 0.00 0.00 0.00 0.00 35.03 35.17 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 -0.54 -2.78 -4.37 0.00 4.13 0.11 -4.96 115.26 106.85 2djb n ASN 57 Ca 0.11 -0.58 -0.32 0.00 1.68 0.00 0.00 54.58 55.46 2djb n ASN 57 Cb 0.38 -4.72 -0.15 0.00 -1.54 0.00 0.00 39.78 33.75 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 -3.33 2.75 -0.36 2.41 -4.36 -1.25 -4.70 121.20 112.36 2djb s ILE 58 Ca 0.07 -0.80 -0.28 0.00 -0.26 0.00 0.00 60.65 59.38 2djb s ILE 58 Cb -0.01 -2.09 -0.02 0.00 1.25 0.00 0.00 42.46 41.60 2djb s ILE 58 CO 0.67 0.56 1.77 0.54 0.24 0.00 0.00 174.94 178.71 2djb s VAL 59 N -0.14 3.51 -0.15 8.37 0.11 -1.26 -0.64 120.40 130.20 2djb s VAL 59 Ca -0.02 0.50 -0.26 0.00 -2.93 0.00 0.00 61.98 59.27 2djb s VAL 59 Cb -0.14 -3.73 -0.01 0.00 -1.53 0.00 0.00 36.38 30.97 2djb s VAL 59 CO 0.04 -0.49 0.87 -0.69 -3.33 0.00 0.00 175.10 171.50 2djb s VAL 60 N 6.95 4.86 -0.83 2.04 1.01 -1.13 -4.97 120.40 128.33 2djb s VAL 60 Ca 0.77 1.74 -0.01 0.00 0.00 0.00 0.00 61.98 64.47 2djb s VAL 60 Cb -0.21 -4.18 0.21 0.00 0.00 0.00 0.00 36.38 32.20 2djb s VAL 60 CO 0.32 0.03 0.70 -1.00 0.00 0.00 0.00 175.10 175.15 2djb s HIS 61 N 2.05 3.79 -0.24 5.22 3.76 -1.26 -4.88 115.29 123.72 2djb s HIS 61 Ca 0.41 -2.99 -0.27 0.00 -0.15 0.00 0.00 55.06 52.05 2djb s HIS 61 Cb -0.17 -3.20 0.14 0.00 1.11 0.00 0.00 32.58 30.47 2djb s HIS 61 CO 0.14 -0.74 1.13 -1.14 -0.85 0.00 0.00 174.74 173.28 2djb s GLN 62 N -1.13 0.41 -0.76 1.40 0.74 -1.26 -5.11 119.66 113.96 2djb s GLN 62 Ca 0.25 0.29 -0.00 0.00 0.05 0.00 0.00 55.36 55.95 2djb s GLN 62 Cb -0.09 0.20 0.19 0.00 1.10 0.00 0.00 33.01 34.40 2djb s GLN 62 CO -0.11 -0.09 0.60 0.95 -0.55 0.00 0.00 175.29 176.08 2djb s THR 63 N -0.40 3.79 0.31 -0.34 -4.23 -1.26 -5.08 115.64 108.43 2djb s THR 63 Ca 0.03 -3.65 -0.27 0.00 -1.18 0.00 0.00 61.69 56.62 2djb s THR 63 Cb -0.03 -3.42 -0.14 0.00 1.34 0.00 0.00 72.50 70.25 2djb s THR 63 CO -0.05 -0.99 0.88 0.00 -0.54 0.00 0.00 174.62 173.92 2djb n GLN 64 N 2.65 1.08 -1.14 3.99 1.13 -1.26 -4.95 117.38 118.87 2djb n GLN 64 Ca 0.16 0.38 -0.29 0.00 -1.94 0.00 0.00 57.00 55.31 2djb n GLN 64 Cb 0.37 -1.71 0.20 0.00 0.11 0.00 0.00 30.24 29.20 2djb n GLN 64 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2djb s PRO 65 N -1.54 -0.06 -0.56 -1.09 0.04 -1.26 -4.94 135.00 125.59 2djb s PRO 65 Ca 0.60 0.35 -0.02 0.00 0.04 0.00 0.00 61.00 61.97 2djb s PRO 65 Cb -0.70 -1.69 0.34 0.00 0.04 0.00 0.00 34.50 32.48 2djb s PRO 65 CO 0.59 -3.03 2.09 1.28 0.04 0.00 0.00 177.00 177.97 2djb n LEU 66 N -4.35 7.22 -4.23 -3.56 4.77 -1.26 -4.92 117.00 110.66 2djb n LEU 66 Ca 0.07 -4.02 -0.15 0.00 -0.03 0.00 0.00 56.01 51.88 2djb n LEU 66 Cb 0.58 -1.03 -0.09 0.00 -2.33 0.00 0.00 43.42 40.55 2djb n LEU 66 CO 0.55 1.44 -0.18 -0.55 -1.33 0.00 0.00 177.39 177.32 2djb s SER 67 N -0.96 0.81 0.00 -1.43 0.15 -1.26 -5.13 113.70 105.87 2djb s SER 67 Ca 0.53 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.63 2djb s SER 67 Cb 0.41 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 2djb s SER 67 CO -0.06 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.05 2djb n GLY 68 N -0.42 0.37 2.73 9.45 0.00 -1.26 -5.13 105.19 110.92 2djb n GLY 68 Ca 0.04 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.68 -3.77 1.61 -0.04 -1.26 -5.05 135.00 123.80 2djb n PRO 69 Ca 0.00 -1.36 -0.30 0.00 -0.04 0.00 0.00 63.50 61.80 2djb n PRO 69 Cb 0.00 -1.28 -0.04 0.00 -0.04 0.00 0.00 33.50 32.14 2djb n PRO 69 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2djb s SER 70 N -3.80 6.41 0.35 3.54 0.15 -1.26 -5.11 113.70 113.97 2djb s SER 70 Ca 0.55 0.40 0.08 0.00 0.70 0.00 0.00 55.95 57.68 2djb s SER 70 Cb -0.05 -2.01 -0.03 0.00 -1.71 0.00 0.00 66.02 62.21 2djb s SER 70 CO 0.42 0.05 0.24 -0.94 1.20 0.00 0.00 173.24 174.22 2djb s SER 71 N -2.76 5.00 0.00 5.45 1.04 -1.26 -5.31 113.70 115.86 2djb s SER 71 Ca 0.38 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 56.16 2djb s SER 71 Cb -0.12 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.18 2djb s SER 71 CO 0.27 -0.37 0.00 0.61 0.98 0.00 0.00 173.24 174.73